A0A077ZLH8_TRITR Loading...

DUF1759 and Peptidase A17 and DUF1758 and RVT 1 d omain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLH8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,238 aa.

						>A0A077ZLH8_TRITR|A0A077ZLH8
MEQLKRSRAGLKSRVAYLKRELLDAIESEKKPSLVEDMERSLTEYMNKANDVQEKIEQLLANEDQLKEELGSWMRFDGEVRELRVQARDYVSRSINTTLENKSDVVPQANAGSGPLLPKWSLPKFSGNLLEFTSFWDQFEASVHSRQELSDVTKLVYLLSALTGNALKAVEGFSVTNANYPMVVEVLKGRFGRPRAIVEAHVKGLLAISKCDHCANASELREFHDQISLHIRALVALGRDPAKNELSAAEILLTVFKERLPERLQKAWEERLSSAVGEKASLDMFFQFLLTQVEVEEAVDSGNRPRKAVKNGSPPRRLYSAAALIAKDDEVKSCALCHKGHRTATCPTLLTASVEDRWKVVRKGHLCFVCLNAGHRSLKCPSRKACLIQQCQRFHHPLLHTDVDARQVKVGLVRQRQRSTTWLQTAIAKLCCPNGNMAIVTCVFDAGSQRSFIRKQLADDLGLQGQTEAIRIATFGKTSGALERARKVSFTLKAINSRNDTGQWMQALCVRRICSALEPQPLLRKGWSHIHGLNLADKFPRASSEVDVLVGLDHYYDFMRNAVRQGRNNEPIAVQSKLGWILCGKVGKGPAYGKTTALQVTIEEPTEAMLKRFWQLDAIGVSENEDSTEKPSIVMEAFQKSVVFDGERYTVKLPWKVEKNLPNNLHLAQQRLEQTERRLLKRGKEATAYLSAMKEYVVNDWVEEASKKIANEGEEWYLPHHAVVRSDKTTTQCRIVFDGSASFRGVSLNDQLEAGPALQRDLVGILIRFRRYRFGIQADVQKMFMQIRLHEEDRDVVRFLWRNLEVDREPTIYRFKRVCFGLKCSPFLALAVVRHHALLNGGKFAQAATEILDNMYIDDLVTSYDSAKDATALVHDLVELMQQGGFTLTKWASNCSLLNDMVEKDSSESETGKVLNTLGLWWDRSHDLMAVKAPQLNVRSLDTKRQLLTALARVFDPLGWLAPFTVIAKILMQKLWTRGIQWDEVIPKDISASWISWKRQCTLVMEVKVQRSLRIPPEDSREQVQLHTFCDASEVAYGAVVYLKVKRENGKHFTNIIMAKSRVAPVKRVTLPRLELLGTLIGARLTSFVRSQLKIPVDSTFYWSDSEIVLAWIKGAPGNWKQFVRNRVEEIHQLSEPMQWRYCPIRITAMCLRFASNSRVPLQCRQFGPLTAIELRNSQMTWYRLIQAETFSSEIARLSSGQELPKTSAIFQLDPFLGEGHVLRVGGRIERFGLSYDA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	85.7	Confident	88.8	Confident	83 Å²	83	80.3 Å²	80.3	41%	0.409	41%	0.405	S	S	.	.				0	-63.9	0	-153.1	56.5	-99.7	0	0	112.7	Q3 L4 K5 I56 L59	M1-Q3 VanDerWaalsContact C-N 3.34Å; M1-Q3 PolarHBondContact O-N 2.94Å; M1-L4 HydrophobicContact CE-CB 3.93Å; M1-L4 HydrophobicContact CE-CD1 4.17Å; M1-L4 WeakPolarHBondContact O-CB 3.46Å; M1-L4 PolarHBondContact O-N 3.12Å; M1-K5 HydrophobicContact CE-CG 3.98Å; M1-K5 PolarHBondContact O-N 3.3Å; M1-K5 VanDerWaalsContact O-N 3.11Å; M1-I56 HydrophobicContact CE-CB 3.79Å; M1-I56 HydrophobicContact CE-CD1 4.43Å; M1-I56 HydrophobicContact CE-CG1 3.45Å; M1-I56 VanDerWaalsContact CE-CG1 3.45Å; M1-I56 HydrophobicContact CE-CG2 3.69Å; M1-L59 HydrophobicContact CE-CD1 4.49Å; M1-L59 HydrophobicContact SD-CB 3.59Å; M1-L59 VanDerWaalsContact SD-CB 3.59Å; M1-L59 HydrophobicContact SD-CD1 3.9Å; M1-L59 HydrophobicContact SD-CG 4.43Å
2	E	83	Confident	89	Confident	135 Å²	135	79.1 Å²	79.1	63%	0.631	40%	0.395	S	S	*	.	H	α-helix	trans	-49.7	-45.4	-177.5	-82.3	-139.8	158.4	0	0	115.3	L4 K5 R6	E2-L4 VanDerWaalsContact C-N 3.31Å; E2-L4 PolarHBondContact O-N 3.34Å; E2-K5 PolarHBondContact O-N 3.03Å; E2-R6 PolarHBondContact O-N 2.84Å; E2-R6 IonicContact OE2-CZ 3.45Å; E2-R6 IonicContact OE2-NE 3.33Å; E2-R6 IonicContact OE2-NH2 3.84Å; E2-R6 PolarHBondContact OE2-NH2 3.4Å
3	Q	84.4	Confident	89.1	Confident	168 Å²	168	79.3 Å²	79.3	79%	0.785	41%	0.409	S	S	*	.	H	α-helix	trans	-59.3	-39.7	178.1	-83.7	-179	-18.6	0	0	113	M1 R6 S7	M1-Q3 VanDerWaalsContact C-N 3.34Å; M1-Q3 PolarHBondContact O-N 2.94Å; Q3-R6 PolarHBondContact O-N 3.24Å; Q3-S7 WeakPolarHBondContact O-CB 3.39Å; Q3-S7 PolarHBondContact O-N 3.34Å
4	L	90.6	Very high	89.2	Confident	40 Å²	40	83.5 Å²	83.5	21%	0.209	42%	0.417	C	S	.	.	H	α-helix	trans	-68.3	-42.4	177	-68	168.8	0	0	0	110.7	M1 E2 R6 S7 R8 V52 K55 I56 L59	M1-L4 HydrophobicContact CE-CB 3.93Å; M1-L4 HydrophobicContact CE-CD1 4.17Å; M1-L4 WeakPolarHBondContact O-CB 3.46Å; M1-L4 PolarHBondContact O-N 3.12Å; E2-L4 VanDerWaalsContact C-N 3.31Å; E2-L4 PolarHBondContact O-N 3.34Å; L4-R6 PolarHBondContact O-N 3.45Å; L4-S7 PolarHBondContact O-N 3.49Å; L4-R8 WeakPolarHBondContact O-CB 3.24Å; L4-R8 PolarHBondContact O-N 3.23Å; L4-V52 HydrophobicContact CB-CG1 4.35Å; L4-V52 HydrophobicContact CD2-CG1 4.21Å; L4-V52 WeakPolarHBondContact O-CG1 3.07Å; L4-K55 HydrophobicContact CD1-CB 4.03Å; L4-K55 HydrophobicContact CD2-CB 4.21Å; L4-K55 HydrophobicContact CD2-CD 4.17Å; L4-I56 HydrophobicContact CB-CD1 4.36Å; L4-I56 HydrophobicContact CB-CG1 3.81Å; L4-L59 HydrophobicContact CD1-CD1 3.47Å; L4-L59 VanDerWaalsContact CD1-CD1 3.47Å
5	K	88.8	Confident	89.6	Confident	88 Å²	88	77.9 Å²	77.9	38%	0.383	39%	0.389	S	S	.	.	H	α-helix	trans	-60.7	-42.8	174.9	-73.2	-171	173.3	-172.6	0	111.7	M1 E2 R8 A9 I56	M1-K5 HydrophobicContact CE-CG 3.98Å; M1-K5 PolarHBondContact O-N 3.3Å; M1-K5 VanDerWaalsContact O-N 3.11Å; E2-K5 PolarHBondContact O-N 3.03Å; K5-R8 PolarHBondContact O-N 2.73Å; K5-A9 WeakPolarHBondContact O-CB 3.48Å; K5-A9 PolarHBondContact O-N 3.49Å; K5-I56 HydrophobicContact CG-CD1 4.42Å
6	R	87.8	Confident	89.7	Confident	178 Å²	178	75.3 Å²	75.3	67%	0.672	38%	0.383	S	S	*	.	H	α-helix	trans	-63.4	-44.4	173.4	-72	-175	-166.1	-171.1	6.9	112.1	E2 Q3 L4 A9 G10	E2-R6 PolarHBondContact O-N 2.84Å; E2-R6 IonicContact OE2-CZ 3.45Å; E2-R6 IonicContact OE2-NE 3.33Å; E2-R6 IonicContact OE2-NH2 3.84Å; E2-R6 PolarHBondContact OE2-NH2 3.4Å; Q3-R6 PolarHBondContact O-N 3.24Å; L4-R6 PolarHBondContact O-N 3.45Å; R6-A9 PolarHBondContact O-N 3.22Å; R6-G10 PolarHBondContact O-N 3.06Å
7	S	89.7	Confident	89.9	Confident	59 Å²	59	77.9 Å²	77.9	41%	0.413	39%	0.388	S	S	.	.	H	α-helix	trans	-61.7	-44.5	177.4	-172	0	0	0	0	111.7	Q3 L4 G10 L11	Q3-S7 WeakPolarHBondContact O-CB 3.39Å; Q3-S7 PolarHBondContact O-N 3.34Å; L4-S7 PolarHBondContact O-N 3.49Å; S7-G10 PolarHBondContact O-N 3.04Å; S7-L11 WeakPolarHBondContact O-CG 3.48Å; S7-L11 PolarHBondContact O-N 3.3Å
8	R	92.8	Very high	90	Very high	36 Å²	36	75.1 Å²	75.1	14%	0.136	38%	0.375	C	S	.	.	H	α-helix	trans	-62.3	-45.7	174.6	-176.1	-169.5	66.6	-167.3	10.2	111.1	L4 K5 G10 L11 K12 V52 I56 E69 W73	L4-R8 WeakPolarHBondContact O-CB 3.24Å; L4-R8 PolarHBondContact O-N 3.23Å; K5-R8 PolarHBondContact O-N 2.73Å; R8-G10 VanDerWaalsContact C-N 3.32Å; R8-G10 PolarHBondContact O-N 3.26Å; R8-L11 PolarHBondContact O-N 3.31Å; R8-K12 VanDerWaalsContact O-CB 3.32Å; R8-K12 WeakPolarHBondContact O-CB 3.1Å; R8-K12 PolarHBondContact O-N 3.37Å; R8-V52 HydrophobicContact CB-CG1 3.9Å; R8-I56 HydrophobicContact CB-CD1 3.84Å; R8-I56 HydrophobicContact CG-CD1 4.33Å; R8-E69 IonicContact CZ-OE1 2.84Å; R8-E69 IonicContact CZ-OE2 3.78Å; R8-E69 IonicContact NH1-OE1 3.01Å; R8-E69 PolarHBondContact NH1-OE1 3.31Å; R8-E69 IonicContact NH1-OE2 3.88Å; R8-E69 PolarHBondContact NH1-OE2 3.46Å; R8-E69 IonicContact NH2-OE1 2.78Å; R8-E69 PolarHBondContact NH2-OE1 2.86Å; R8-E69 IonicContact NH2-OE2 2.68Å; R8-E69 PolarHBondContact NH2-OE2 3.39Å; R8-W73 HydrophobicContact CG-CE3 4.49Å; R8-W73 HydrophobicContact CG-CH2 4.05Å; R8-W73 HydrophobicContact CG-CZ3 3.71Å
9	A	89	Confident	90.2	Very high	49 Å²	49	73.9 Å²	73.9	41%	0.405	37%	0.367	S	S	.	.	H	α-helix	trans	-57.1	-46	178.4	0	0	0	0	0	111.4	K5 R6 L11 K12 S13	K5-A9 WeakPolarHBondContact O-CB 3.48Å; K5-A9 PolarHBondContact O-N 3.49Å; R6-A9 PolarHBondContact O-N 3.22Å; A9-L11 PolarHBondContact O-N 3.04Å; A9-K12 PolarHBondContact O-N 3Å; A9-S13 PolarHBondContact O-N 3.44Å; A9-S13 PolarHBondContact O-OG 3.49Å; A9-S13 VanDerWaalsContact O-OG 3.11Å
10	G	91.1	Very high	90.3	Very high	33 Å²	33	78.8 Å²	78.8	34%	0.34	38%	0.381	S	S	.	.	H	α-helix	trans	-61.7	-41	175.9	0	0	0	0	0	113.6	R6 S7 R8 R14	R6-G10 PolarHBondContact O-N 3.06Å; S7-G10 PolarHBondContact O-N 3.04Å; R8-G10 VanDerWaalsContact C-N 3.32Å; R8-G10 PolarHBondContact O-N 3.26Å; G10-R14 WeakPolarHBondContact O-CG 3.39Å; G10-R14 PolarHBondContact O-N 3.06Å
11	L	93.9	Very high	90.4	Very high	14 Å²	14	78.4 Å²	78.4	7%	0.073	38%	0.379	C	S	.	.	H	α-helix	trans	-67.4	-42.7	175	-71.4	167	0	0	0	111.9	S7 R8 A9 S13 R14 V15 Y45 K48 A49 V52	S7-L11 WeakPolarHBondContact O-CG 3.48Å; S7-L11 PolarHBondContact O-N 3.3Å; R8-L11 PolarHBondContact O-N 3.31Å; A9-L11 PolarHBondContact O-N 3.04Å; L11-S13 VanDerWaalsContact C-N 3.32Å; L11-S13 PolarHBondContact O-N 3.42Å; L11-R14 WeakPolarHBondContact O-CB 3.49Å; L11-R14 PolarHBondContact O-N 3.04Å; L11-R14 VanDerWaalsContact O-N 3.13Å; L11-V15 WeakPolarHBondContact O-CG2 3.22Å; L11-V15 PolarHBondContact O-N 3.08Å; L11-Y45 HydrophobicContact CD2-CD1 3.93Å; L11-Y45 HydrophobicContact CD2-CE1 4.41Å; L11-K48 HydrophobicContact CD1-CB 4.25Å; L11-K48 HydrophobicContact CD2-CB 4.08Å; L11-A49 HydrophobicContact CB-CB 3.93Å; L11-A49 HydrophobicContact CD1-CB 4.39Å; L11-V52 HydrophobicContact CD1-CB 4.47Å; L11-V52 HydrophobicContact CD1-CG2 3.82Å
12	K	90.9	Very high	90.9	Very high	66 Å²	66	74.5 Å²	74.5	29%	0.287	36%	0.359	S	S	.	.	H	α-helix	trans	-59.5	-42.2	176.7	-165.3	176.7	-175.2	172.2	0	111.2	R8 A9 V15 A16 W73 F76	R8-K12 VanDerWaalsContact O-CB 3.32Å; R8-K12 WeakPolarHBondContact O-CB 3.1Å; R8-K12 PolarHBondContact O-N 3.37Å; A9-K12 PolarHBondContact O-N 3Å; K12-V15 PolarHBondContact O-N 3.31Å; K12-A16 WeakPolarHBondContact O-CB 3.33Å; K12-A16 PolarHBondContact O-N 2.9Å; K12-W73 HydrophobicContact CD-CZ3 4.21Å; K12-W73 HydrophobicContact CG-CZ3 4.42Å; K12-F76 HydrophobicContact CB-CZ 4.46Å; K12-F76 HydrophobicContact CD-CD2 4.47Å; K12-F76 HydrophobicContact CD-CE2 4.44Å; K12-F76 VanDerWaalsContact CE-CD2 3.42Å; K12-F76 HydrophobicContact CG-CD1 4.26Å; K12-F76 HydrophobicContact CG-CD2 4.23Å; K12-F76 HydrophobicContact CG-CE1 3.81Å; K12-F76 HydrophobicContact CG-CE2 3.76Å; K12-F76 HydrophobicContact CG-CG 4.45Å; K12-F76 HydrophobicContact CG-CZ 3.52Å
13	S	90.2	Very high	91.3	Very high	82 Å²	82	70.6 Å²	70.6	57%	0.573	34%	0.343	S	S	*	.	H	α-helix	trans	-62.8	-40	174.2	-61.7	0	0	0	0	112.9	A9 L11 A16 Y17	A9-S13 PolarHBondContact O-N 3.44Å; A9-S13 PolarHBondContact O-OG 3.49Å; A9-S13 VanDerWaalsContact O-OG 3.11Å; L11-S13 VanDerWaalsContact C-N 3.32Å; L11-S13 PolarHBondContact O-N 3.42Å; S13-A16 PolarHBondContact O-N 2.97Å; S13-Y17 WeakPolarHBondContact O-CB 3.48Å; S13-Y17 PolarHBondContact O-N 3.33Å
14	R	91.1	Very high	91.7	Very high	138 Å²	138	66.1 Å²	66.1	52%	0.521	32%	0.324	S	S	.	.	H	α-helix	trans	-66.7	-42.7	175.9	-72.8	174.5	177.6	153.2	-3.1	112.2	G10 L11 A16 Y17 L18 Y45	G10-R14 WeakPolarHBondContact O-CG 3.39Å; G10-R14 PolarHBondContact O-N 3.06Å; L11-R14 WeakPolarHBondContact O-CB 3.49Å; L11-R14 PolarHBondContact O-N 3.04Å; L11-R14 VanDerWaalsContact O-N 3.13Å; R14-A16 VanDerWaalsContact C-N 3.35Å; R14-Y17 PolarHBondContact O-N 3.35Å; R14-L18 WeakPolarHBondContact O-CG 3.41Å; R14-L18 PolarHBondContact O-N 3.5Å; R14-Y45 HydrophobicContact CB-CD1 4.31Å; R14-Y45 HydrophobicContact CB-CE1 4.5Å
15	V	94.8	Very high	91.7	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.8	-43.2	174.5	173.1	0	0	0	0	110.4	L11 K12 Y17 L18 K19 L42 M46 F76 V80	L11-V15 WeakPolarHBondContact O-CG2 3.22Å; L11-V15 PolarHBondContact O-N 3.08Å; K12-V15 PolarHBondContact O-N 3.31Å; V15-Y17 VanDerWaalsContact C-N 3.32Å; V15-Y17 PolarHBondContact O-N 2.86Å; V15-L18 PolarHBondContact O-N 3.46Å; V15-K19 VanDerWaalsContact O-CB 3.24Å; V15-K19 WeakPolarHBondContact O-CB 3.33Å; V15-K19 PolarHBondContact O-N 3.18Å; V15-L42 HydrophobicContact CG1-CD1 3.83Å; V15-M46 HydrophobicContact CG1-SD 4.18Å; V15-M46 HydrophobicContact CG2-SD 4.42Å; V15-F76 HydrophobicContact CB-CE1 4.14Å; V15-F76 HydrophobicContact CB-CZ 3.81Å; V15-F76 HydrophobicContact CG1-CE1 3.71Å; V15-F76 HydrophobicContact CG1-CZ 3.46Å; V15-F76 VanDerWaalsContact CG1-CZ 3.46Å; V15-V80 HydrophobicContact CG1-CG2 3.57Å
16	A	91.8	Very high	91.9	Very high	35 Å²	35	61.4 Å²	61.4	29%	0.289	30%	0.303	S	S	.	.	H	α-helix	trans	-64.9	-33.5	176.4	0	0	0	0	0	113.2	K12 S13 R14 R20	K12-A16 WeakPolarHBondContact O-CB 3.33Å; K12-A16 PolarHBondContact O-N 2.9Å; S13-A16 PolarHBondContact O-N 2.97Å; R14-A16 VanDerWaalsContact C-N 3.35Å; A16-R20 PolarHBondContact O-N 3.45Å
17	Y	92.1	Very high	92	Very high	120 Å²	120	59.8 Å²	59.8	47%	0.471	30%	0.303	S	S	.	.	H	α-helix	trans	-66	-52.7	171.9	177.7	-91.8	0	0	0	111.4	S13 R14 V15 K19 R20 E21	S13-Y17 WeakPolarHBondContact O-CB 3.48Å; S13-Y17 PolarHBondContact O-N 3.33Å; R14-Y17 PolarHBondContact O-N 3.35Å; V15-Y17 VanDerWaalsContact C-N 3.32Å; V15-Y17 PolarHBondContact O-N 2.86Å; Y17-K19 VanDerWaalsContact C-N 3.26Å; Y17-K19 PolarHBondContact O-N 3.14Å; Y17-R20 PolarHBondContact O-N 3.09Å; Y17-R20 VanDerWaalsContact O-N 3.07Å; Y17-E21 HydrophobicContact CD1-CG 4.34Å; Y17-E21 HydrophobicContact CE1-CG 3.75Å; Y17-E21 WeakPolarHBondContact CE1-OE2 3.44Å; Y17-E21 VanDerWaalsContact CZ-CD 3.48Å; Y17-E21 PolarHBondContact O-N 3.28Å; Y17-E21 VanDerWaalsContact OH-CD 3.3Å; Y17-E21 PolarHBondContact OH-OE1 3.35Å
18	L	92.7	Very high	92	Very high	28 Å²	28	60.1 Å²	60.1	15%	0.147	31%	0.305	C	S	.	.	H	α-helix	trans	-61.2	-35.7	178.2	-71.9	171.6	0	0	0	112.4	R14 V15 E21 L22 L42 Y45	R14-L18 WeakPolarHBondContact O-CG 3.41Å; R14-L18 PolarHBondContact O-N 3.5Å; V15-L18 PolarHBondContact O-N 3.46Å; L18-E21 PolarHBondContact O-N 3.07Å; L18-L22 VanDerWaalsContact O-CB 3.24Å; L18-L22 WeakPolarHBondContact O-CB 3.28Å; L18-L22 PolarHBondContact O-N 3.32Å; L18-L42 HydrophobicContact CB-CD1 3.74Å; L18-Y45 HydrophobicContact CD1-CD2 3.57Å; L18-Y45 HydrophobicContact CD1-CE2 4.21Å; L18-Y45 HydrophobicContact CD1-CG 4.22Å
19	K	93.8	Very high	91.7	Very high	52 Å²	52	65.9 Å²	65.9	23%	0.226	33%	0.334	C	S	.	.	H	α-helix	trans	-56.6	-49.8	172.9	-176.3	-169	166.8	-173.2	0	110.3	V15 Y17 L22 L23 E79 L83	V15-K19 VanDerWaalsContact O-CB 3.24Å; V15-K19 WeakPolarHBondContact O-CB 3.33Å; V15-K19 PolarHBondContact O-N 3.18Å; Y17-K19 VanDerWaalsContact C-N 3.26Å; Y17-K19 PolarHBondContact O-N 3.14Å; K19-L22 PolarHBondContact O-N 3.35Å; K19-L23 WeakPolarHBondContact O-CB 3.45Å; K19-L23 PolarHBondContact O-N 2.92Å; K19-E79 IonicContact NZ-OE2 3.5Å; K19-E79 PolarHBondContact NZ-OE2 2.95Å; K19-L83 HydrophobicContact CB-CD2 4.02Å; K19-L83 HydrophobicContact CG-CD2 3.4Å; K19-L83 VanDerWaalsContact CG-CD2 3.4Å; K19-L83 WeakPolarHBondContact O-CD2 3.2Å
20	R	92.7	Very high	91.6	Very high	172 Å²	172	67.1 Å²	67.1	65%	0.649	33%	0.33	S	S	*	.	H	α-helix	trans	-64.1	-43.9	178	-74.8	-175.8	-68.2	173	1.2	112.6	A16 Y17 L22 L23 D24	A16-R20 PolarHBondContact O-N 3.45Å; Y17-R20 PolarHBondContact O-N 3.09Å; Y17-R20 VanDerWaalsContact O-N 3.07Å; R20-L22 PolarHBondContact O-N 3.01Å; R20-L23 PolarHBondContact O-N 3.06Å; R20-D24 WeakPolarHBondContact O-CB 3.31Å; R20-D24 PolarHBondContact O-N 3.27Å
21	E	91.9	Very high	91.3	Very high	71 Å²	71	73.3 Å²	73.3	33%	0.332	35%	0.347	S	S	.	.	H	α-helix	trans	-64.7	-40.3	178.3	-72.7	-163.4	135.1	0	0	112.3	Y17 L18 L23 D24 A25 M38	Y17-E21 HydrophobicContact CD1-CG 4.34Å; Y17-E21 HydrophobicContact CE1-CG 3.75Å; Y17-E21 WeakPolarHBondContact CE1-OE2 3.44Å; Y17-E21 VanDerWaalsContact CZ-CD 3.48Å; Y17-E21 PolarHBondContact O-N 3.28Å; Y17-E21 VanDerWaalsContact OH-CD 3.3Å; Y17-E21 PolarHBondContact OH-OE1 3.35Å; L18-E21 PolarHBondContact O-N 3.07Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-D24 PolarHBondContact O-N 3.46Å; E21-A25 VanDerWaalsContact O-CB 3.27Å; E21-A25 WeakPolarHBondContact O-CB 3.46Å; E21-A25 PolarHBondContact O-N 3.28Å; E21-M38 HydrophobicContact CB-CE 3.41Å; E21-M38 VanDerWaalsContact CB-CE 3.41Å; E21-M38 VanDerWaalsContact O-CE 3.29Å; E21-M38 WeakPolarHBondContact O-CE 3.26Å
22	L	95	Very high	90.9	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-66.5	-39.8	178.7	179	61.6	0	0	0	110.9	L18 K19 R20 A25 I26 V35 M38 L42 L83 A87	L18-L22 VanDerWaalsContact O-CB 3.24Å; L18-L22 WeakPolarHBondContact O-CB 3.28Å; L18-L22 PolarHBondContact O-N 3.32Å; K19-L22 PolarHBondContact O-N 3.35Å; R20-L22 PolarHBondContact O-N 3.01Å; L22-A25 PolarHBondContact O-N 2.85Å; L22-I26 HydrophobicContact CD1-CD1 4.27Å; L22-I26 HydrophobicContact CG-CD1 4.11Å; L22-I26 WeakPolarHBondContact O-CD1 3.44Å; L22-I26 VanDerWaalsContact O-CG1 3.24Å; L22-I26 WeakPolarHBondContact O-CG1 3.31Å; L22-I26 PolarHBondContact O-N 2.63Å; L22-V35 HydrophobicContact CD1-CG1 3.77Å; L22-M38 HydrophobicContact CB-CE 4.44Å; L22-M38 HydrophobicContact CD1-CB 3.74Å; L22-L42 HydrophobicContact CD2-CD2 3.69Å; L22-L83 HydrophobicContact CB-CD2 4.13Å; L22-L83 HydrophobicContact CD2-CD2 4Å; L22-L83 HydrophobicContact CD2-CG 3.96Å; L22-L83 HydrophobicContact CG-CD2 4.21Å; L22-L83 HydrophobicContact CG-CG 4.27Å; L22-A87 HydrophobicContact CD1-CB 4.01Å; L22-A87 HydrophobicContact CD2-CB 4.03Å; L22-A87 HydrophobicContact CG-CB 4.28Å
23	L	93.2	Very high	90.5	Very high	54 Å²	54	74.8 Å²	74.8	28%	0.283	37%	0.366	S	S	.	.	H	α-helix	trans	-63.5	-48.2	175	-134.1	143.3	0	0	0	110.9	K19 R20 E21 A25 I26 E27 L83	K19-L23 WeakPolarHBondContact O-CB 3.45Å; K19-L23 PolarHBondContact O-N 2.92Å; R20-L23 PolarHBondContact O-N 3.06Å; E21-L23 VanDerWaalsContact C-N 3.34Å; L23-A25 VanDerWaalsContact C-N 3.3Å; L23-A25 PolarHBondContact O-N 2.97Å; L23-I26 PolarHBondContact O-N 3.43Å; L23-E27 HydrophobicContact CD2-CG 4.22Å; L23-E27 WeakPolarHBondContact CD2-OE1 3.47Å; L23-E27 WeakPolarHBondContact O-CB 3.33Å; L23-E27 WeakPolarHBondContact O-CG 3.3Å; L23-E27 PolarHBondContact O-N 3.21Å; L23-L83 HydrophobicContact CB-CD1 4.17Å; L23-L83 HydrophobicContact CD1-CD1 3.66Å; L23-L83 HydrophobicContact CD1-CD2 4.26Å; L23-L83 HydrophobicContact CG-CD1 3.71Å
24	D	92.7	Very high	90.4	Very high	74 Å²	74	74.3 Å²	74.3	40%	0.396	36%	0.357	S	S	.	.	H	α-helix	trans	-59.1	-38.2	173.7	176.3	72.9	0	0	0	112.5	R20 E21 S28 K30	R20-D24 WeakPolarHBondContact O-CB 3.31Å; R20-D24 PolarHBondContact O-N 3.27Å; E21-D24 PolarHBondContact O-N 3.46Å; D24-S28 WeakPolarHBondContact O-CB 3.1Å; D24-S28 PolarHBondContact O-N 3.16Å; D24-S28 PolarHBondContact O-OG 2.83Å; D24-K30 IonicContact OD2-NZ 3.58Å; D24-K30 PolarHBondContact OD2-NZ 2.93Å
25	A	90	Very high	90.4	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-67.9	-36.5	177.8	0	0	0	0	0	112.7	E21 L22 L23 E29 K30 V35 M38	E21-A25 VanDerWaalsContact O-CB 3.27Å; E21-A25 WeakPolarHBondContact O-CB 3.46Å; E21-A25 PolarHBondContact O-N 3.28Å; L22-A25 PolarHBondContact O-N 2.85Å; L23-A25 VanDerWaalsContact C-N 3.3Å; L23-A25 PolarHBondContact O-N 2.97Å; A25-E29 PolarHBondContact O-N 2.82Å; A25-K30 HydrophobicContact CB-CB 4.25Å; A25-K30 HydrophobicContact CB-CD 3.9Å; A25-K30 HydrophobicContact CB-CG 4.32Å; A25-K30 WeakPolarHBondContact O-CB 3.21Å; A25-K30 PolarHBondContact O-N 3.11Å; A25-V35 HydrophobicContact CB-CG2 4.21Å; A25-M38 HydrophobicContact CB-CE 4.05Å; A25-M38 HydrophobicContact CB-SD 3.76Å
26	I	91.8	Very high	90.1	Very high	29 Å²	29	72.9 Å²	72.9	15%	0.149	36%	0.356	C	S	.	.	H	α-helix	trans	-70.6	-47.2	174.4	-66.7	162.5	0	0	0	110	L22 L23 S28 E29 V35 L83 Q86 A87 Y90	L22-I26 HydrophobicContact CD1-CD1 4.27Å; L22-I26 HydrophobicContact CG-CD1 4.11Å; L22-I26 WeakPolarHBondContact O-CD1 3.44Å; L22-I26 VanDerWaalsContact O-CG1 3.24Å; L22-I26 WeakPolarHBondContact O-CG1 3.31Å; L22-I26 PolarHBondContact O-N 2.63Å; L23-I26 PolarHBondContact O-N 3.43Å; I26-S28 PolarHBondContact O-N 3.46Å; I26-E29 PolarHBondContact O-N 2.83Å; I26-V35 HydrophobicContact CD1-CG1 4.46Å; I26-V35 HydrophobicContact CG1-CG1 3.92Å; I26-V35 HydrophobicContact CG1-CG2 4.49Å; I26-L83 HydrophobicContact CD1-CD1 4.12Å; I26-Q86 HydrophobicContact CD1-CB 4.47Å; I26-A87 HydrophobicContact CD1-CB 3.86Å; I26-Y90 HydrophobicContact CG1-CG 4.35Å; I26-Y90 HydrophobicContact CG2-CD2 3.95Å; I26-Y90 HydrophobicContact CG2-CG 4.13Å
27	E	90.7	Very high	89.9	Confident	143 Å²	143	73 Å²	73	67%	0.668	35%	0.352	S	S	*	.	H	α-helix	trans	-66.1	-35.1	-179.9	-72.4	178.8	168.4	0	0	112.9	L23 E29	L23-E27 HydrophobicContact CD2-CG 4.22Å; L23-E27 WeakPolarHBondContact CD2-OE1 3.47Å; L23-E27 WeakPolarHBondContact O-CB 3.33Å; L23-E27 WeakPolarHBondContact O-CG 3.3Å; L23-E27 PolarHBondContact O-N 3.21Å; E27-E29 PolarHBondContact O-N 3.19Å
28	S	89.5	Confident	89.9	Confident	66 Å²	66	68.6 Å²	68.6	46%	0.462	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	10.6	175.7	-59.6	0	0	0	0	113.6	D24 I26 K30	D24-S28 WeakPolarHBondContact O-CB 3.1Å; D24-S28 PolarHBondContact O-N 3.16Å; D24-S28 PolarHBondContact O-OG 2.83Å; I26-S28 PolarHBondContact O-N 3.46Å; S28-K30 VanDerWaalsContact C-N 3.27Å; S28-K30 PolarHBondContact O-N 3.12Å; S28-K30 VanDerWaalsContact O-N 3.16Å
29	E	86.5	Confident	89.9	Confident	157 Å²	157	68.3 Å²	68.3	73%	0.734	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	43.3	-179.8	-58.6	-172.3	164	0	0	114.3	A25 I26 E27 Y90	A25-E29 PolarHBondContact O-N 2.82Å; I26-E29 PolarHBondContact O-N 2.83Å; E27-E29 PolarHBondContact O-N 3.19Å; E29-Y90 WeakPolarHBondContact CA-OH 3.48Å; E29-Y90 HydrophobicContact CG-CE2 4.49Å; E29-Y90 PolarHBondContact O-OH 2.85Å
30	K	87.5	Confident	89.7	Confident	75 Å²	75	70.8 Å²	70.8	33%	0.326	34%	0.342	S	S	.	.			trans	-69.3	156.6	179.2	-62.7	-172.7	-172	153.5	0	111.1	D24 A25 S28 L34 Y90	D24-K30 IonicContact OD2-NZ 3.58Å; D24-K30 PolarHBondContact OD2-NZ 2.93Å; A25-K30 HydrophobicContact CB-CB 4.25Å; A25-K30 HydrophobicContact CB-CD 3.9Å; A25-K30 HydrophobicContact CB-CG 4.32Å; A25-K30 WeakPolarHBondContact O-CB 3.21Å; A25-K30 PolarHBondContact O-N 3.11Å; S28-K30 VanDerWaalsContact C-N 3.27Å; S28-K30 PolarHBondContact O-N 3.12Å; S28-K30 VanDerWaalsContact O-N 3.16Å; K30-L34 HydrophobicContact CB-CD2 4.12Å; K30-L34 HydrophobicContact CD-CD2 4Å; K30-Y90 VanDerWaalsContact O-CE1 3.29Å; K30-Y90 WeakPolarHBondContact O-CE1 3.27Å; K30-Y90 PolarHBondContact O-OH 3.2Å
31	K	85.1	Confident	89.6	Confident	163 Å²	163	63.9 Å²	63.9	71%	0.709	32%	0.32	S	S	*	.			trans	-46.3	135	-175.6	-68.6	-175.6	180	179.1	0	112.7	S33 L34 V35	K31-S33 VanDerWaalsContact C-N 3.27Å; K31-S33 PolarHBondContact O-N 2.68Å; K31-S33 VanDerWaalsContact O-N 3.15Å; K31-L34 WeakPolarHBondContact O-CA 3.26Å; K31-L34 VanDerWaalsContact O-CB 3.31Å; K31-L34 WeakPolarHBondContact O-CB 3.28Å; K31-L34 PolarHBondContact O-N 3.26Å; K31-V35 PolarHBondContact O-N 2.85Å
32	P	84.6	Confident	89.6	Confident	36 Å²	36	60.5 Å²	60.5	23%	0.234	30%	0.304	C	S	.	.	H	α-helix	trans	-55.8	-37.8	-176.3	-30.2	37.7	0	0	0	114.2	L34 V35 E36 V91	P32-L34 VanDerWaalsContact C-N 3.27Å; P32-L34 PolarHBondContact O-N 3.29Å; P32-V35 PolarHBondContact O-N 3.15Å; P32-E36 PolarHBondContact O-N 2.95Å; P32-V91 HydrophobicContact CB-CB 4.4Å; P32-V91 HydrophobicContact CB-CG1 4.14Å; P32-V91 HydrophobicContact CB-CG2 4.16Å; P32-V91 WeakPolarHBondContact O-CG2 3.43Å
33	S	83.5	Confident	89.5	Confident	75 Å²	75	61.8 Å²	61.8	52%	0.524	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-31.9	176.8	54.5	0	0	0	0	113.2	K31 D37	K31-S33 VanDerWaalsContact C-N 3.27Å; K31-S33 PolarHBondContact O-N 2.68Å; K31-S33 VanDerWaalsContact O-N 3.15Å; S33-D37 WeakPolarHBondContact O-CB 3.3Å; S33-D37 PolarHBondContact O-N 2.75Å; S33-D37 VanDerWaalsContact O-N 3.1Å
34	L	87.5	Confident	89.4	Confident	73 Å²	73	62.9 Å²	62.9	38%	0.382	32%	0.316	S	S	.	.	H	α-helix	trans	-70.2	-44.9	174.6	-178.3	64.9	0	0	0	110.5	K30 K31 P32 E36 D37 M38	K30-L34 HydrophobicContact CB-CD2 4.12Å; K30-L34 HydrophobicContact CD-CD2 4Å; K31-L34 WeakPolarHBondContact O-CA 3.26Å; K31-L34 VanDerWaalsContact O-CB 3.31Å; K31-L34 WeakPolarHBondContact O-CB 3.28Å; K31-L34 PolarHBondContact O-N 3.26Å; P32-L34 VanDerWaalsContact C-N 3.27Å; P32-L34 PolarHBondContact O-N 3.29Å; L34-E36 VanDerWaalsContact C-N 3.33Å; L34-E36 PolarHBondContact O-N 3.4Å; L34-D37 PolarHBondContact O-N 3.31Å; L34-M38 HydrophobicContact CD1-CG 4.49Å; L34-M38 HydrophobicContact CD1-SD 4.34Å; L34-M38 HydrophobicContact CD2-SD 4.47Å; L34-M38 HydrophobicContact CG-SD 3.91Å; L34-M38 WeakPolarHBondContact O-CB 3.35Å; L34-M38 WeakPolarHBondContact O-CG 3.14Å; L34-M38 PolarHBondContact O-N 3.27Å
35	V	91.2	Very high	89.4	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-41.8	177.3	176.2	0	0	0	0	111.1	L22 A25 I26 K31 P32 M38 E39 A87 Y90 V91	L22-V35 HydrophobicContact CD1-CG1 3.77Å; A25-V35 HydrophobicContact CB-CG2 4.21Å; I26-V35 HydrophobicContact CD1-CG1 4.46Å; I26-V35 HydrophobicContact CG1-CG1 3.92Å; I26-V35 HydrophobicContact CG1-CG2 4.49Å; K31-V35 PolarHBondContact O-N 2.85Å; P32-V35 PolarHBondContact O-N 3.15Å; V35-M38 PolarHBondContact O-N 2.87Å; V35-E39 PolarHBondContact O-N 3.02Å; V35-A87 HydrophobicContact CG1-CB 3.84Å; V35-Y90 HydrophobicContact CB-CD1 4.11Å; V35-Y90 HydrophobicContact CB-CE1 4.35Å; V35-Y90 HydrophobicContact CG1-CD1 3.96Å; V35-Y90 HydrophobicContact CG2-CD1 3.83Å; V35-Y90 HydrophobicContact CG2-CE1 3.71Å; V35-V91 HydrophobicContact CB-CG2 4.03Å; V35-V91 HydrophobicContact CG1-CG2 3.96Å
36	E	88.4	Confident	89.6	Confident	108 Å²	108	61.4 Å²	61.4	51%	0.505	31%	0.305	S	S	.	.	H	α-helix	trans	-63.9	-42	176	-166.9	177.8	-171.6	0	0	112.3	P32 L34 M38 E39 R40 V91	P32-E36 PolarHBondContact O-N 2.95Å; L34-E36 VanDerWaalsContact C-N 3.33Å; L34-E36 PolarHBondContact O-N 3.4Å; E36-M38 VanDerWaalsContact C-N 3.35Å; E36-M38 PolarHBondContact O-N 2.94Å; E36-E39 PolarHBondContact O-N 3.38Å; E36-R40 PolarHBondContact O-N 3.11Å; E36-V91 HydrophobicContact CB-CG2 4.31Å
37	D	87.7	Confident	89.5	Confident	37 Å²	37	64.2 Å²	64.2	20%	0.198	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-37.6	174.9	-93.2	21.5	0	0	0	112.6	S33 L34 R40 S41	S33-D37 WeakPolarHBondContact O-CB 3.3Å; S33-D37 PolarHBondContact O-N 2.75Å; S33-D37 VanDerWaalsContact O-N 3.1Å; L34-D37 PolarHBondContact O-N 3.31Å; D37-R40 PolarHBondContact O-N 3.14Å; D37-R40 IonicContact OD1-CZ 2.99Å; D37-R40 IonicContact OD1-NH1 2.71Å; D37-R40 PolarHBondContact OD1-NH1 3.05Å; D37-R40 IonicContact OD1-NH2 2.67Å; D37-R40 PolarHBondContact OD1-NH2 3.2Å; D37-R40 IonicContact OD2-NH2 2.61Å; D37-R40 PolarHBondContact OD2-NH2 3.26Å; D37-S41 PolarHBondContact O-N 3.36Å; D37-S41 PolarHBondContact O-OG 2.92Å
38	M	91.3	Very high	89.6	Confident	28 Å²	28	61 Å²	61	14%	0.138	31%	0.305	C	S	.	.	H	α-helix	trans	-69.4	-40.5	175.8	-69.4	172.4	81.6	0	0	111.8	E21 L22 A25 L34 V35 E36 R40 S41 L42	E21-M38 HydrophobicContact CB-CE 3.41Å; E21-M38 VanDerWaalsContact CB-CE 3.41Å; E21-M38 VanDerWaalsContact O-CE 3.29Å; E21-M38 WeakPolarHBondContact O-CE 3.26Å; L22-M38 HydrophobicContact CB-CE 4.44Å; L22-M38 HydrophobicContact CD1-CB 3.74Å; A25-M38 HydrophobicContact CB-CE 4.05Å; A25-M38 HydrophobicContact CB-SD 3.76Å; L34-M38 HydrophobicContact CD1-CG 4.49Å; L34-M38 HydrophobicContact CD1-SD 4.34Å; L34-M38 HydrophobicContact CD2-SD 4.47Å; L34-M38 HydrophobicContact CG-SD 3.91Å; L34-M38 WeakPolarHBondContact O-CB 3.35Å; L34-M38 WeakPolarHBondContact O-CG 3.14Å; L34-M38 PolarHBondContact O-N 3.27Å; V35-M38 PolarHBondContact O-N 2.87Å; E36-M38 VanDerWaalsContact C-N 3.35Å; E36-M38 PolarHBondContact O-N 2.94Å; M38-R40 VanDerWaalsContact C-N 3.32Å; M38-R40 PolarHBondContact O-N 3.13Å; M38-S41 PolarHBondContact O-N 3.48Å; M38-L42 WeakPolarHBondContact O-CB 3.42Å; M38-L42 PolarHBondContact O-N 3.36Å
39	E	92.6	Very high	89.8	Confident	21 Å²	21	57.9 Å²	57.9	10%	0.098	28%	0.283	C	S	.	.	H	α-helix	trans	-60.4	-41.2	173.2	-170.7	-81.9	163.2	0	0	111.7	V35 E36 L42 T43 R84 A87 R88	V35-E39 PolarHBondContact O-N 3.02Å; E36-E39 PolarHBondContact O-N 3.38Å; E39-L42 PolarHBondContact O-N 3.01Å; E39-T43 WeakPolarHBondContact O-CB 3.44Å; E39-T43 PolarHBondContact O-N 3.45Å; E39-T43 PolarHBondContact O-OG1 3.37Å; E39-T43 PolarHBondContact OE1-OG1 3.02Å; E39-R84 HydrophobicContact CG-CB 4.13Å; E39-R84 HydrophobicContact CG-CG 4.05Å; E39-R84 IonicContact OE1-CZ 3.67Å; E39-R84 IonicContact OE1-NE 3.2Å; E39-R84 PolarHBondContact OE1-NE 3.25Å; E39-R84 IonicContact OE1-NH2 3.93Å; E39-R84 PolarHBondContact OE1-NH2 3.3Å; E39-A87 HydrophobicContact CB-CB 4.3Å; E39-A87 HydrophobicContact CG-CB 4.29Å; E39-R88 IonicContact OE1-CZ 3.77Å; E39-R88 IonicContact OE1-NE 2.77Å; E39-R88 IonicContact OE1-NH2 3.48Å; E39-R88 PolarHBondContact OE1-NH2 3.45Å; E39-R88 IonicContact OE2-NH2 3.95Å
40	R	89.5	Confident	90.1	Very high	104 Å²	104	52.4 Å²	52.4	39%	0.392	26%	0.258	S	S	.	.	H	α-helix	trans	-64	-43.7	176.6	-173.6	173.2	65.2	-115.7	2.1	111.6	E36 D37 M38 T43 E44	E36-R40 PolarHBondContact O-N 3.11Å; D37-R40 PolarHBondContact O-N 3.14Å; D37-R40 IonicContact OD1-CZ 2.99Å; D37-R40 IonicContact OD1-NH1 2.71Å; D37-R40 PolarHBondContact OD1-NH1 3.05Å; D37-R40 IonicContact OD1-NH2 2.67Å; D37-R40 PolarHBondContact OD1-NH2 3.2Å; D37-R40 IonicContact OD2-NH2 2.61Å; D37-R40 PolarHBondContact OD2-NH2 3.26Å; M38-R40 VanDerWaalsContact C-N 3.32Å; M38-R40 PolarHBondContact O-N 3.13Å; R40-T43 WeakPolarHBondContact O-CB 3.3Å; R40-T43 PolarHBondContact O-N 2.78Å; R40-E44 PolarHBondContact O-N 3.16Å
41	S	90.5	Very high	90.3	Very high	28 Å²	28	53.3 Å²	53.3	20%	0.196	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-43.4	177.3	-61.4	0	0	0	0	111.9	D37 M38 T43 E44 Y45	D37-S41 PolarHBondContact O-N 3.36Å; D37-S41 PolarHBondContact O-OG 2.92Å; M38-S41 PolarHBondContact O-N 3.48Å; S41-T43 VanDerWaalsContact C-N 3.29Å; S41-T43 PolarHBondContact O-N 3.22Å; S41-E44 PolarHBondContact O-N 2.85Å; S41-Y45 WeakPolarHBondContact O-CD2 3.26Å; S41-Y45 PolarHBondContact O-N 3.4Å
42	L	93.6	Very high	90.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.3	-42.6	174.2	-175.1	66.1	0	0	0	111.2	V15 L18 L22 M38 E39 Y45 M46 V80 L83 R84	V15-L42 HydrophobicContact CG1-CD1 3.83Å; L18-L42 HydrophobicContact CB-CD1 3.74Å; L22-L42 HydrophobicContact CD2-CD2 3.69Å; M38-L42 WeakPolarHBondContact O-CB 3.42Å; M38-L42 PolarHBondContact O-N 3.36Å; E39-L42 PolarHBondContact O-N 3.01Å; L42-Y45 PolarHBondContact O-N 2.87Å; L42-M46 WeakPolarHBondContact O-CB 3.39Å; L42-M46 PolarHBondContact O-N 3.24Å; L42-V80 HydrophobicContact CD1-CG1 4.35Å; L42-V80 HydrophobicContact CD2-CG1 4.03Å; L42-V80 HydrophobicContact CG-CG1 3.99Å; L42-L83 HydrophobicContact CD2-CD2 4.42Å; L42-R84 HydrophobicContact CD2-CG 3.93Å
43	T	91.2	Very high	91.1	Very high	27 Å²	27	44.7 Å²	44.7	17%	0.166	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-43	177.4	-58.7	0	0	0	0	112.4	E39 R40 S41 M46 N47 R84	E39-T43 WeakPolarHBondContact O-CB 3.44Å; E39-T43 PolarHBondContact O-N 3.45Å; E39-T43 PolarHBondContact O-OG1 3.37Å; E39-T43 PolarHBondContact OE1-OG1 3.02Å; R40-T43 WeakPolarHBondContact O-CB 3.3Å; R40-T43 PolarHBondContact O-N 2.78Å; S41-T43 VanDerWaalsContact C-N 3.29Å; S41-T43 PolarHBondContact O-N 3.22Å; T43-M46 PolarHBondContact O-N 2.99Å; T43-N47 VanDerWaalsContact O-CG 3.32Å; T43-N47 PolarHBondContact O-N 2.89Å; T43-N47 PolarHBondContact O-ND2 3.04Å; T43-R84 PolarHBondContact OG1-NE 3.25Å; T43-R84 VanDerWaalsContact OG1-NE 3.15Å; T43-R84 PolarHBondContact OG1-NH2 3.27Å
44	E	92	Very high	91.4	Very high	76 Å²	76	46.3 Å²	46.3	36%	0.355	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-45.4	180	-165.6	-167.9	147.4	0	0	111.9	R40 S41 M46 N47 K48	R40-E44 PolarHBondContact O-N 3.16Å; S41-E44 PolarHBondContact O-N 2.85Å; E44-M46 VanDerWaalsContact C-N 3.33Å; E44-N47 PolarHBondContact O-N 3.35Å; E44-K48 PolarHBondContact O-N 3.36Å; E44-K48 WeakPolarHBondContact OE1-CE 3.46Å; E44-K48 IonicContact OE1-NZ 2.74Å; E44-K48 PolarHBondContact OE1-NZ 3.1Å
45	Y	91.7	Very high	91.7	Very high	39 Å²	39	48 Å²	48	15%	0.153	23%	0.231	C	C	.	.	H	α-helix	trans	-67.8	-34.1	177.4	-84.4	-76	0	0	0	112.5	L11 R14 L18 S41 L42 K48 A49	L11-Y45 HydrophobicContact CD2-CD1 3.93Å; L11-Y45 HydrophobicContact CD2-CE1 4.41Å; R14-Y45 HydrophobicContact CB-CD1 4.31Å; R14-Y45 HydrophobicContact CB-CE1 4.5Å; L18-Y45 HydrophobicContact CD1-CD2 3.57Å; L18-Y45 HydrophobicContact CD1-CE2 4.21Å; L18-Y45 HydrophobicContact CD1-CG 4.22Å; S41-Y45 WeakPolarHBondContact O-CD2 3.26Å; S41-Y45 PolarHBondContact O-N 3.4Å; L42-Y45 PolarHBondContact O-N 2.87Å; Y45-K48 PolarHBondContact O-N 2.99Å; Y45-A49 WeakPolarHBondContact O-CB 3.33Å; Y45-A49 PolarHBondContact O-N 2.98Å
46	M	94.3	Very high	91.7	Very high	4 Å²	4	48 Å²	48	2%	0.02	23%	0.231	C	C	.	.	H	α-helix	trans	-65.1	-40.4	175.5	-164.7	59.6	-169.7	0	0	111.8	V15 L42 T43 E44 K48 A49 N50 W73 F76 D77 V80	V15-M46 HydrophobicContact CG1-SD 4.18Å; V15-M46 HydrophobicContact CG2-SD 4.42Å; L42-M46 WeakPolarHBondContact O-CB 3.39Å; L42-M46 PolarHBondContact O-N 3.24Å; T43-M46 PolarHBondContact O-N 2.99Å; E44-M46 VanDerWaalsContact C-N 3.33Å; M46-K48 PolarHBondContact O-N 3.24Å; M46-A49 WeakPolarHBondContact O-CB 3.37Å; M46-A49 PolarHBondContact O-N 2.86Å; M46-A49 VanDerWaalsContact O-N 3.15Å; M46-N50 PolarHBondContact O-N 2.88Å; M46-N50 PolarHBondContact O-ND2 3.31Å; M46-W73 HydrophobicContact CE-CZ2 3.87Å; M46-F76 HydrophobicContact CE-CD1 4.08Å; M46-F76 HydrophobicContact CE-CE1 4.31Å; M46-F76 HydrophobicContact SD-CD1 4.41Å; M46-F76 HydrophobicContact SD-CE1 4.05Å; M46-D77 HydrophobicContact CE-CB 3.57Å; M46-D77 WeakPolarHBondContact CE-OD1 3.46Å; M46-V80 HydrophobicContact CG-CG1 4.29Å; M46-V80 HydrophobicContact SD-CG1 4.42Å; M46-V80 HydrophobicContact SD-CG2 4.34Å
47	N	91.1	Very high	91.7	Very high	89 Å²	89	45.2 Å²	45.2	48%	0.476	22%	0.217	S	C	.	.	H	α-helix	trans	-61.9	-45	174.9	-68.6	-23	0	0	0	112	T43 E44 A49 N50 D51	T43-N47 VanDerWaalsContact O-CG 3.32Å; T43-N47 PolarHBondContact O-N 2.89Å; T43-N47 PolarHBondContact O-ND2 3.04Å; E44-N47 PolarHBondContact O-N 3.35Å; N47-A49 PolarHBondContact O-N 3.42Å; N47-N50 PolarHBondContact O-N 3.23Å; N47-D51 PolarHBondContact O-N 2.94Å
48	K	93.2	Very high	91.7	Very high	76 Å²	76	50.9 Å²	50.9	33%	0.33	24%	0.243	S	C	.	.	H	α-helix	trans	-60.2	-36.6	174.9	-69.4	174.7	-173.4	165.4	0	111.7	L11 E44 Y45 M46 V52	L11-K48 HydrophobicContact CD1-CB 4.25Å; L11-K48 HydrophobicContact CD2-CB 4.08Å; E44-K48 PolarHBondContact O-N 3.36Å; E44-K48 WeakPolarHBondContact OE1-CE 3.46Å; E44-K48 IonicContact OE1-NZ 2.74Å; E44-K48 PolarHBondContact OE1-NZ 3.1Å; Y45-K48 PolarHBondContact O-N 2.99Å; M46-K48 PolarHBondContact O-N 3.24Å; K48-V52 WeakPolarHBondContact O-CG2 3.46Å; K48-V52 PolarHBondContact O-N 2.92Å
49	A	93	Very high	91.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.3	-40.1	179	0	0	0	0	0	111.8	L11 Y45 M46 N47 V52 Q53 W73	L11-A49 HydrophobicContact CB-CB 3.93Å; L11-A49 HydrophobicContact CD1-CB 4.39Å; Y45-A49 WeakPolarHBondContact O-CB 3.33Å; Y45-A49 PolarHBondContact O-N 2.98Å; M46-A49 WeakPolarHBondContact O-CB 3.37Å; M46-A49 PolarHBondContact O-N 2.86Å; M46-A49 VanDerWaalsContact O-N 3.15Å; N47-A49 PolarHBondContact O-N 3.42Å; A49-V52 PolarHBondContact O-N 3.43Å; A49-Q53 WeakPolarHBondContact O-CB 3.48Å; A49-Q53 PolarHBondContact O-N 2.92Å; A49-W73 HydrophobicContact CB-CH2 3.66Å; A49-W73 HydrophobicContact CB-CZ2 3.68Å
50	N	92.7	Very high	91.3	Very high	42 Å²	42	54.4 Å²	54.4	23%	0.225	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-43	173.9	-71.6	-21.2	0	0	0	111.9	M46 N47 V52 Q53 E54 W73	M46-N50 PolarHBondContact O-N 2.88Å; M46-N50 PolarHBondContact O-ND2 3.31Å; N47-N50 PolarHBondContact O-N 3.23Å; N50-V52 VanDerWaalsContact C-N 3.26Å; N50-V52 PolarHBondContact O-N 3.02Å; N50-Q53 WeakPolarHBondContact O-CB 3.19Å; N50-Q53 PolarHBondContact O-N 3.47Å; N50-Q53 VanDerWaalsContact O-N 3.08Å; N50-E54 PolarHBondContact O-N 3.35Å; N50-W73 PolarHBondContact OD1-NE1 3.3Å
51	D	91.9	Very high	90.8	Very high	94 Å²	94	54.5 Å²	54.5	50%	0.503	29%	0.285	S	S	.	.	H	α-helix	trans	-59.8	-35.3	176.4	-74.2	-10.6	0	0	0	113	N47 K55	N47-D51 PolarHBondContact O-N 2.94Å; D51-K55 WeakPolarHBondContact O-CG 3.26Å
52	V	92.8	Very high	90.6	Very high	15 Å²	15	56.7 Å²	56.7	9%	0.091	29%	0.294	C	S	.	.	H	α-helix	trans	-76.7	-37.7	176	178.3	0	0	0	0	110.5	L4 R8 L11 K48 A49 N50 K55 I56	L4-V52 HydrophobicContact CB-CG1 4.35Å; L4-V52 HydrophobicContact CD2-CG1 4.21Å; L4-V52 WeakPolarHBondContact O-CG1 3.07Å; R8-V52 HydrophobicContact CB-CG1 3.9Å; L11-V52 HydrophobicContact CD1-CB 4.47Å; L11-V52 HydrophobicContact CD1-CG2 3.82Å; K48-V52 WeakPolarHBondContact O-CG2 3.46Å; K48-V52 PolarHBondContact O-N 2.92Å; A49-V52 PolarHBondContact O-N 3.43Å; N50-V52 VanDerWaalsContact C-N 3.26Å; N50-V52 PolarHBondContact O-N 3.02Å; V52-K55 WeakPolarHBondContact O-CB 3.47Å; V52-K55 PolarHBondContact O-N 3.27Å; V52-I56 HydrophobicContact CG1-CD1 4.27Å; V52-I56 WeakPolarHBondContact O-CG1 3.42Å; V52-I56 PolarHBondContact O-N 3.48Å; V52-I56 VanDerWaalsContact O-N 3.14Å
53	Q	93.4	Very high	89.9	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.009	33%	0.328	C	S	.	.	H	α-helix	trans	-63.4	-45.6	178.6	177.7	64.3	22.1	0	0	112	A49 N50 K55 I56 E57 W73	A49-Q53 WeakPolarHBondContact O-CB 3.48Å; A49-Q53 PolarHBondContact O-N 2.92Å; N50-Q53 WeakPolarHBondContact O-CB 3.19Å; N50-Q53 PolarHBondContact O-N 3.47Å; N50-Q53 VanDerWaalsContact O-N 3.08Å; Q53-K55 PolarHBondContact O-N 3.4Å; Q53-I56 WeakPolarHBondContact O-CA 3.28Å; Q53-I56 WeakPolarHBondContact O-CB 3.4Å; Q53-I56 PolarHBondContact O-N 3.38Å; Q53-E57 WeakPolarHBondContact CG-OE1 3.42Å; Q53-E57 PolarHBondContact NE2-OE1 3.4Å; Q53-E57 WeakPolarHBondContact O-CG 3.46Å; Q53-E57 PolarHBondContact O-N 3.17Å; Q53-W73 HydrophobicContact CB-CD2 4.19Å; Q53-W73 HydrophobicContact CB-CZ2 4.27Å; Q53-W73 HydrophobicContact CG-CB 4.3Å; Q53-W73 HydrophobicContact CG-CD2 3.76Å; Q53-W73 HydrophobicContact CG-CE3 4.46Å; Q53-W73 HydrophobicContact CG-CG 3.63Å
54	E	90.5	Very high	89.7	Confident	109 Å²	109	68.4 Å²	68.4	51%	0.509	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-36.2	175.9	-73.8	-177.4	-177.6	0	0	111.9	N50 I56 E57 Q58	N50-E54 PolarHBondContact O-N 3.35Å; E54-I56 VanDerWaalsContact C-N 3.34Å; E54-E57 PolarHBondContact O-N 3.04Å; E54-Q58 VanDerWaalsContact O-CG 3.3Å; E54-Q58 WeakPolarHBondContact O-CG 3.42Å; E54-Q58 PolarHBondContact O-N 2.77Å
55	K	93.2	Very high	89.3	Confident	110 Å²	110	69.7 Å²	69.7	48%	0.478	36%	0.357	S	S	.	.	H	α-helix	trans	-69.4	-30.3	174.9	-67.4	171.8	-173.5	172	0	112.9	L4 D51 V52 Q53 L59	L4-K55 HydrophobicContact CD1-CB 4.03Å; L4-K55 HydrophobicContact CD2-CB 4.21Å; L4-K55 HydrophobicContact CD2-CD 4.17Å; D51-K55 WeakPolarHBondContact O-CG 3.26Å; V52-K55 WeakPolarHBondContact O-CB 3.47Å; V52-K55 PolarHBondContact O-N 3.27Å; Q53-K55 PolarHBondContact O-N 3.4Å; K55-L59 WeakPolarHBondContact O-CD1 3.37Å; K55-L59 VanDerWaalsContact O-CG 3.31Å; K55-L59 WeakPolarHBondContact O-CG 3.1Å
56	I	91.1	Very high	89	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-70.2	-45.3	174.4	-66.7	169.2	0	0	0	109.4	M1 L4 K5 R8 V52 Q53 E54 Q58 L59 L60 E69	M1-I56 HydrophobicContact CE-CB 3.79Å; M1-I56 HydrophobicContact CE-CD1 4.43Å; M1-I56 HydrophobicContact CE-CG1 3.45Å; M1-I56 VanDerWaalsContact CE-CG1 3.45Å; M1-I56 HydrophobicContact CE-CG2 3.69Å; L4-I56 HydrophobicContact CB-CD1 4.36Å; L4-I56 HydrophobicContact CB-CG1 3.81Å; K5-I56 HydrophobicContact CG-CD1 4.42Å; R8-I56 HydrophobicContact CB-CD1 3.84Å; R8-I56 HydrophobicContact CG-CD1 4.33Å; V52-I56 HydrophobicContact CG1-CD1 4.27Å; V52-I56 WeakPolarHBondContact O-CG1 3.42Å; V52-I56 PolarHBondContact O-N 3.48Å; V52-I56 VanDerWaalsContact O-N 3.14Å; Q53-I56 WeakPolarHBondContact O-CA 3.28Å; Q53-I56 WeakPolarHBondContact O-CB 3.4Å; Q53-I56 PolarHBondContact O-N 3.38Å; E54-I56 VanDerWaalsContact C-N 3.34Å; I56-Q58 VanDerWaalsContact C-N 3.35Å; I56-Q58 PolarHBondContact O-N 3.17Å; I56-L59 PolarHBondContact O-N 2.86Å; I56-L60 HydrophobicContact CG2-CD1 4.01Å; I56-L60 HydrophobicContact CG2-CG 4.41Å; I56-L60 PolarHBondContact O-N 2.94Å; I56-E69 HydrophobicContact CG2-CG 4.34Å
57	E	89.4	Confident	88.5	Confident	48 Å²	48	77 Å²	77	22%	0.224	39%	0.392	C	S	.	.	H	α-helix	trans	-60.2	-42.7	179.5	-69.5	165.9	-171.1	0	0	111.9	Q53 E54 L59 L60 L66 L70	Q53-E57 WeakPolarHBondContact CG-OE1 3.42Å; Q53-E57 PolarHBondContact NE2-OE1 3.4Å; Q53-E57 WeakPolarHBondContact O-CG 3.46Å; Q53-E57 PolarHBondContact O-N 3.17Å; E54-E57 PolarHBondContact O-N 3.04Å; E57-L59 PolarHBondContact O-N 2.95Å; E57-L60 PolarHBondContact O-N 3.09Å; E57-L66 HydrophobicContact CB-CD1 3.81Å; E57-L66 HydrophobicContact CG-CD1 3.9Å; E57-L70 HydrophobicContact CG-CD2 4.28Å; E57-L70 VanDerWaalsContact OE1-CD2 3.26Å; E57-L70 WeakPolarHBondContact OE1-CD2 3.26Å
58	Q	86.7	Confident	88.4	Confident	156 Å²	156	79.9 Å²	79.9	73%	0.729	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.2	175.8	-72.8	172.7	12.6	0	0	114.3	E54 I56	E54-Q58 VanDerWaalsContact O-CG 3.3Å; E54-Q58 WeakPolarHBondContact O-CG 3.42Å; E54-Q58 PolarHBondContact O-N 2.77Å; I56-Q58 VanDerWaalsContact C-N 3.35Å; I56-Q58 PolarHBondContact O-N 3.17Å
59	L	88.8	Confident	88.2	Confident	102 Å²	102	77.5 Å²	77.5	53%	0.534	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-9.8	-177.4	-68.7	174.5	0	0	0	113.5	M1 L4 K55 I56 E57 A61	M1-L59 HydrophobicContact CE-CD1 4.49Å; M1-L59 HydrophobicContact SD-CB 3.59Å; M1-L59 VanDerWaalsContact SD-CB 3.59Å; M1-L59 HydrophobicContact SD-CD1 3.9Å; M1-L59 HydrophobicContact SD-CG 4.43Å; L4-L59 HydrophobicContact CD1-CD1 3.47Å; L4-L59 VanDerWaalsContact CD1-CD1 3.47Å; K55-L59 WeakPolarHBondContact O-CD1 3.37Å; K55-L59 VanDerWaalsContact O-CG 3.31Å; K55-L59 WeakPolarHBondContact O-CG 3.1Å; I56-L59 PolarHBondContact O-N 2.86Å; E57-L59 PolarHBondContact O-N 2.95Å; L59-A61 PolarHBondContact O-N 2.91Å
60	L	86	Confident	87.9	Confident	22 Å²	22	80.5 Å²	80.5	12%	0.115	41%	0.408	C	S	.	.			trans	-82.5	109.7	176.4	-75	169.3	0	0	0	109.6	I56 E57 Q65 L66 E69	I56-L60 HydrophobicContact CG2-CD1 4.01Å; I56-L60 HydrophobicContact CG2-CG 4.41Å; I56-L60 PolarHBondContact O-N 2.94Å; E57-L60 PolarHBondContact O-N 3.09Å; L60-Q65 HydrophobicContact CD2-CB 4.34Å; L60-L66 HydrophobicContact CB-CB 4.38Å; L60-L66 HydrophobicContact CB-CD1 4.37Å; L60-L66 HydrophobicContact CD1-CD1 4.3Å; L60-E69 HydrophobicContact CD1-CB 3.89Å; L60-E69 HydrophobicContact CD1-CG 3.92Å
61	A	79.4	Confident	87.6	Confident	106 Å²	106	79.8 Å²	79.8	88%	0.876	41%	0.411	S	S	*	.			trans	-83.8	-18.4	179.4	0	0	0	0	0	113.9	L59	L59-A61 PolarHBondContact O-N 2.91Å
62	N	86.1	Confident	87.4	Confident	73 Å²	73	77.5 Å²	77.5	39%	0.39	40%	0.402	S	S	.	.			trans	-93.2	120.6	-179.2	178.4	-47.1	0	0	0	109.8	D64 Q65 L66	N62-D64 PolarHBondContact O-N 3.26Å; N62-D64 WeakPolarHBondContact OD1-CB 3.33Å; N62-D64 PolarHBondContact OD1-N 2.9Å; N62-Q65 HydrophobicContact CB-CB 4.14Å; N62-Q65 HydrophobicContact CB-CG 4.1Å; N62-Q65 PolarHBondContact O-N 2.87Å; N62-Q65 PolarHBondContact OD1-N 3.43Å; N62-Q65 VanDerWaalsContact OD1-N 3.1Å; N62-L66 PolarHBondContact O-N 2.9Å
63	E	79.2	Confident	87.4	Confident	151 Å²	151	77.6 Å²	77.6	71%	0.706	40%	0.401	S	S	*	.	H	α-helix	trans	-62.8	-35.6	-177.5	-79	-168.6	159.7	0	0	113.9	L66 K67	E63-L66 PolarHBondContact O-N 2.99Å; E63-K67 PolarHBondContact O-N 3.35Å
64	D	87.4	Confident	87.2	Confident	122 Å²	122	84 Å²	84	65%	0.652	43%	0.433	S	S	*	.	H	α-helix	trans	-68.3	-42.7	178.1	-67.2	-37.5	0	0	0	110.7	N62 L66 K67 E68	N62-D64 PolarHBondContact O-N 3.26Å; N62-D64 WeakPolarHBondContact OD1-CB 3.33Å; N62-D64 PolarHBondContact OD1-N 2.9Å; D64-L66 VanDerWaalsContact C-N 3.34Å; D64-L66 PolarHBondContact O-N 3.48Å; D64-K67 PolarHBondContact O-N 3.24Å; D64-E68 PolarHBondContact O-N 3.29Å
65	Q	82.7	Confident	87.2	Confident	103 Å²	103	87.5 Å²	87.5	48%	0.481	44%	0.441	S	S	.	.	H	α-helix	trans	-64	-39.5	174	-69.8	-175.6	-3.6	0	0	112	L60 N62 E68 E69	L60-Q65 HydrophobicContact CD2-CB 4.34Å; N62-Q65 HydrophobicContact CB-CB 4.14Å; N62-Q65 HydrophobicContact CB-CG 4.1Å; N62-Q65 PolarHBondContact O-N 2.87Å; N62-Q65 PolarHBondContact OD1-N 3.43Å; N62-Q65 VanDerWaalsContact OD1-N 3.1Å; Q65-E68 PolarHBondContact O-N 2.88Å; Q65-E69 VanDerWaalsContact O-CB 3.22Å; Q65-E69 WeakPolarHBondContact O-CB 3.4Å; Q65-E69 PolarHBondContact O-N 3.29Å
66	L	85.4	Confident	87	Confident	48 Å²	48	83.1 Å²	83.1	25%	0.251	42%	0.422	S	S	.	.	H	α-helix	trans	-64.4	-43.5	176.8	180	63.3	0	0	0	111.4	E57 L60 N62 E63 D64 E69 L70	E57-L66 HydrophobicContact CB-CD1 3.81Å; E57-L66 HydrophobicContact CG-CD1 3.9Å; L60-L66 HydrophobicContact CB-CB 4.38Å; L60-L66 HydrophobicContact CB-CD1 4.37Å; L60-L66 HydrophobicContact CD1-CD1 4.3Å; N62-L66 PolarHBondContact O-N 2.9Å; E63-L66 PolarHBondContact O-N 2.99Å; D64-L66 VanDerWaalsContact C-N 3.34Å; D64-L66 PolarHBondContact O-N 3.48Å; L66-E69 PolarHBondContact O-N 2.85Å; L66-L70 HydrophobicContact CD1-CD1 4.21Å; L66-L70 HydrophobicContact CD1-CG 4.34Å; L66-L70 HydrophobicContact CG-CD1 4.02Å; L66-L70 WeakPolarHBondContact O-CB 3.41Å; L66-L70 WeakPolarHBondContact O-CG 3.11Å; L66-L70 PolarHBondContact O-N 3.1Å
67	K	85.3	Confident	87.1	Confident	148 Å²	148	84.5 Å²	84.5	64%	0.643	43%	0.43	S	S	*	.	H	α-helix	trans	-62	-45.3	175.5	-87.1	-178.8	-179.8	167.8	0	112.4	E63 D64 E69 G71	E63-K67 PolarHBondContact O-N 3.35Å; D64-K67 PolarHBondContact O-N 3.24Å; K67-E69 VanDerWaalsContact C-N 3.33Å; K67-G71 PolarHBondContact O-N 2.92Å
68	E	87.7	Confident	87.1	Confident	150 Å²	150	83.7 Å²	83.7	70%	0.701	43%	0.434	S	S	*	.	H	α-helix	trans	-62.3	-42.8	177.8	-169.4	-179.2	-177.3	0	0	111.3	D64 Q65 G71 S72	D64-E68 PolarHBondContact O-N 3.29Å; Q65-E68 PolarHBondContact O-N 2.88Å; E68-G71 PolarHBondContact O-N 3.32Å; E68-S72 WeakPolarHBondContact O-CB 3.47Å; E68-S72 PolarHBondContact O-N 3.17Å
69	E	88.5	Confident	87.3	Confident	27 Å²	27	80.5 Å²	80.5	13%	0.126	42%	0.419	C	S	.	.	H	α-helix	trans	-65.6	-46.2	178.8	-167.3	68.2	-108.5	0	0	112.1	R8 I56 L60 Q65 L66 K67 S72 W73	R8-E69 IonicContact CZ-OE1 2.84Å; R8-E69 IonicContact CZ-OE2 3.78Å; R8-E69 IonicContact NH1-OE1 3.01Å; R8-E69 PolarHBondContact NH1-OE1 3.31Å; R8-E69 IonicContact NH1-OE2 3.88Å; R8-E69 PolarHBondContact NH1-OE2 3.46Å; R8-E69 IonicContact NH2-OE1 2.78Å; R8-E69 PolarHBondContact NH2-OE1 2.86Å; R8-E69 IonicContact NH2-OE2 2.68Å; R8-E69 PolarHBondContact NH2-OE2 3.39Å; I56-E69 HydrophobicContact CG2-CG 4.34Å; L60-E69 HydrophobicContact CD1-CB 3.89Å; L60-E69 HydrophobicContact CD1-CG 3.92Å; Q65-E69 VanDerWaalsContact O-CB 3.22Å; Q65-E69 WeakPolarHBondContact O-CB 3.4Å; Q65-E69 PolarHBondContact O-N 3.29Å; L66-E69 PolarHBondContact O-N 2.85Å; K67-E69 VanDerWaalsContact C-N 3.33Å; E69-S72 PolarHBondContact O-N 2.86Å; E69-W73 PolarHBondContact O-N 3.16Å
70	L	86.9	Confident	87.5	Confident	62 Å²	62	75.7 Å²	75.7	33%	0.325	39%	0.394	S	S	.	.	H	α-helix	trans	-59.5	-46.8	173.9	-79.2	167.6	0	0	0	111.3	E57 L66 S72 W73 M74	E57-L70 HydrophobicContact CG-CD2 4.28Å; E57-L70 VanDerWaalsContact OE1-CD2 3.26Å; E57-L70 WeakPolarHBondContact OE1-CD2 3.26Å; L66-L70 HydrophobicContact CD1-CD1 4.21Å; L66-L70 HydrophobicContact CD1-CG 4.34Å; L66-L70 HydrophobicContact CG-CD1 4.02Å; L66-L70 WeakPolarHBondContact O-CB 3.41Å; L66-L70 WeakPolarHBondContact O-CG 3.11Å; L66-L70 PolarHBondContact O-N 3.1Å; L70-S72 VanDerWaalsContact C-N 3.34Å; L70-S72 PolarHBondContact O-N 3.28Å; L70-W73 PolarHBondContact O-N 3.15Å; L70-M74 WeakPolarHBondContact O-CB 3.17Å; L70-M74 VanDerWaalsContact O-CG 3.28Å; L70-M74 WeakPolarHBondContact O-CG 3.43Å; L70-M74 PolarHBondContact O-N 3.43Å
71	G	87.7	Confident	87.7	Confident	27 Å²	27	81.6 Å²	81.6	28%	0.278	42%	0.415	S	S	.	.	H	α-helix	trans	-62.2	-38.8	179.7	0	0	0	0	0	113.2	K67 E68 R75	K67-G71 PolarHBondContact O-N 2.92Å; E68-G71 PolarHBondContact O-N 3.32Å; G71-R75 PolarHBondContact O-N 3.49Å
72	S	87.9	Confident	88.3	Confident	47 Å²	47	82.5 Å²	82.5	33%	0.329	40%	0.401	S	S	.	.	H	α-helix	trans	-67.4	-41.5	175.2	-170.3	0	0	0	0	112.2	E68 E69 L70 F76	E68-S72 WeakPolarHBondContact O-CB 3.47Å; E68-S72 PolarHBondContact O-N 3.17Å; E69-S72 PolarHBondContact O-N 2.86Å; L70-S72 VanDerWaalsContact C-N 3.34Å; L70-S72 PolarHBondContact O-N 3.28Å; S72-F76 PolarHBondContact O-N 2.96Å
73	W	92.4	Very high	88.7	Confident	16 Å²	16	79.2 Å²	79.2	6%	0.061	38%	0.383	C	S	.	.	H	α-helix	trans	-70.9	-41.9	179.6	-165.7	-104.8	0	0	0	112.7	R8 K12 M46 A49 N50 Q53 E69 L70 R75 F76 D77	R8-W73 HydrophobicContact CG-CE3 4.49Å; R8-W73 HydrophobicContact CG-CH2 4.05Å; R8-W73 HydrophobicContact CG-CZ3 3.71Å; K12-W73 HydrophobicContact CD-CZ3 4.21Å; K12-W73 HydrophobicContact CG-CZ3 4.42Å; M46-W73 HydrophobicContact CE-CZ2 3.87Å; A49-W73 HydrophobicContact CB-CH2 3.66Å; A49-W73 HydrophobicContact CB-CZ2 3.68Å; N50-W73 PolarHBondContact OD1-NE1 3.3Å; Q53-W73 HydrophobicContact CB-CD2 4.19Å; Q53-W73 HydrophobicContact CB-CZ2 4.27Å; Q53-W73 HydrophobicContact CG-CB 4.3Å; Q53-W73 HydrophobicContact CG-CD2 3.76Å; Q53-W73 HydrophobicContact CG-CE3 4.46Å; Q53-W73 HydrophobicContact CG-CG 3.63Å; E69-W73 PolarHBondContact O-N 3.16Å; L70-W73 PolarHBondContact O-N 3.15Å; W73-R75 VanDerWaalsContact C-N 3.31Å; W73-R75 PolarHBondContact O-N 3.05Å; W73-F76 HydrophobicContact CE3-CD1 4.5Å; W73-F76 HydrophobicContact CH2-CD1 4.11Å; W73-F76 HydrophobicContact CH2-CE1 4.25Å; W73-F76 HydrophobicContact CZ2-CD1 4.48Å; W73-F76 HydrophobicContact CZ3-CD1 4.13Å; W73-F76 WeakPolarHBondContact O-CB 3.26Å; W73-F76 PolarHBondContact O-N 2.89Å; W73-F76 VanDerWaalsContact O-N 3.12Å; W73-D77 PolarHBondContact O-N 3.39Å
74	M	88.2	Confident	89.3	Confident	137 Å²	137	74.7 Å²	74.7	68%	0.675	36%	0.36	S	S	*	.	H	α-helix	trans	-61.1	-37.8	178.1	-74.3	-178.2	72.7	0	0	112.6	L70 D77 G78	L70-M74 WeakPolarHBondContact O-CB 3.17Å; L70-M74 VanDerWaalsContact O-CG 3.28Å; L70-M74 WeakPolarHBondContact O-CG 3.43Å; L70-M74 PolarHBondContact O-N 3.43Å; M74-D77 PolarHBondContact O-N 2.88Å; M74-G78 PolarHBondContact O-N 3.32Å
75	R	90.7	Very high	89.5	Confident	183 Å²	183	72.4 Å²	72.4	69%	0.691	35%	0.35	S	S	*	.	H	α-helix	trans	-61.3	-46.7	172.7	-85.2	-175	-108.1	146.1	-5	111.6	G71 W73 G78 E79	G71-R75 PolarHBondContact O-N 3.49Å; W73-R75 VanDerWaalsContact C-N 3.31Å; W73-R75 PolarHBondContact O-N 3.05Å; R75-G78 PolarHBondContact O-N 2.69Å; R75-E79 WeakPolarHBondContact O-CG 3.38Å; R75-E79 PolarHBondContact O-N 2.83Å; R75-E79 VanDerWaalsContact O-N 3.11Å
76	F	90.6	Very high	89.9	Confident	17 Å²	17	71.5 Å²	71.5	8%	0.075	35%	0.346	C	S	.	.	H	α-helix	trans	-63.6	-43	178.5	-176.7	-104.5	0	0	0	112.6	K12 V15 M46 S72 W73 G78 E79 V80	K12-F76 HydrophobicContact CB-CZ 4.46Å; K12-F76 HydrophobicContact CD-CD2 4.47Å; K12-F76 HydrophobicContact CD-CE2 4.44Å; K12-F76 VanDerWaalsContact CE-CD2 3.42Å; K12-F76 HydrophobicContact CG-CD1 4.26Å; K12-F76 HydrophobicContact CG-CD2 4.23Å; K12-F76 HydrophobicContact CG-CE1 3.81Å; K12-F76 HydrophobicContact CG-CE2 3.76Å; K12-F76 HydrophobicContact CG-CG 4.45Å; K12-F76 HydrophobicContact CG-CZ 3.52Å; V15-F76 HydrophobicContact CB-CE1 4.14Å; V15-F76 HydrophobicContact CB-CZ 3.81Å; V15-F76 HydrophobicContact CG1-CE1 3.71Å; V15-F76 HydrophobicContact CG1-CZ 3.46Å; V15-F76 VanDerWaalsContact CG1-CZ 3.46Å; M46-F76 HydrophobicContact CE-CD1 4.08Å; M46-F76 HydrophobicContact CE-CE1 4.31Å; M46-F76 HydrophobicContact SD-CD1 4.41Å; M46-F76 HydrophobicContact SD-CE1 4.05Å; S72-F76 PolarHBondContact O-N 2.96Å; W73-F76 HydrophobicContact CE3-CD1 4.5Å; W73-F76 HydrophobicContact CH2-CD1 4.11Å; W73-F76 HydrophobicContact CH2-CE1 4.25Å; W73-F76 HydrophobicContact CZ2-CD1 4.48Å; W73-F76 HydrophobicContact CZ3-CD1 4.13Å; W73-F76 WeakPolarHBondContact O-CB 3.26Å; W73-F76 PolarHBondContact O-N 2.89Å; W73-F76 VanDerWaalsContact O-N 3.12Å; F76-G78 VanDerWaalsContact C-N 3.35Å; F76-E79 PolarHBondContact O-N 3.31Å; F76-V80 HydrophobicContact CE1-CG2 4.3Å; F76-V80 HydrophobicContact CZ-CG2 4.35Å; F76-V80 WeakPolarHBondContact O-CG2 3.25Å; F76-V80 PolarHBondContact O-N 3.17Å
77	D	91.2	Very high	90.2	Very high	30 Å²	30	69.3 Å²	69.3	16%	0.16	34%	0.335	C	S	.	.	H	α-helix	trans	-66	-36.9	176.4	-177.5	73.6	0	0	0	112.4	M46 W73 M74 V80 R81	M46-D77 HydrophobicContact CE-CB 3.57Å; M46-D77 WeakPolarHBondContact CE-OD1 3.46Å; W73-D77 PolarHBondContact O-N 3.39Å; M74-D77 PolarHBondContact O-N 2.88Å; D77-V80 PolarHBondContact O-N 3.49Å; D77-R81 WeakPolarHBondContact O-CB 3.41Å; D77-R81 PolarHBondContact O-N 2.87Å; D77-R81 IonicContact OD2-CZ 3.3Å; D77-R81 IonicContact OD2-NE 2.79Å; D77-R81 IonicContact OD2-NH2 3.76Å; D77-R81 PolarHBondContact OD2-NH2 2.97Å
78	G	90.3	Very high	90.4	Very high	31 Å²	31	68.2 Å²	68.2	32%	0.32	33%	0.327	S	S	.	.	H	α-helix	trans	-57.7	-50.2	172.7	0	0	0	0	0	112.7	M74 R75 F76 V80 R81 E82	M74-G78 PolarHBondContact O-N 3.32Å; R75-G78 PolarHBondContact O-N 2.69Å; F76-G78 VanDerWaalsContact C-N 3.35Å; G78-V80 VanDerWaalsContact C-N 3.32Å; G78-V80 PolarHBondContact O-N 2.79Å; G78-R81 WeakPolarHBondContact O-CB 3.26Å; G78-R81 PolarHBondContact O-N 3.02Å; G78-E82 PolarHBondContact O-N 3.07Å
79	E	91.5	Very high	90.4	Very high	88 Å²	88	65 Å²	65	41%	0.411	31%	0.314	S	S	.	.	H	α-helix	trans	-59.4	-40.6	177.8	-69.7	174.6	-157.6	0	0	112.7	K19 R75 F76 L83	K19-E79 IonicContact NZ-OE2 3.5Å; K19-E79 PolarHBondContact NZ-OE2 2.95Å; R75-E79 WeakPolarHBondContact O-CG 3.38Å; R75-E79 PolarHBondContact O-N 2.83Å; R75-E79 VanDerWaalsContact O-N 3.11Å; F76-E79 PolarHBondContact O-N 3.31Å; E79-L83 PolarHBondContact O-N 2.89Å
80	V	93.1	Very high	90.5	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-68	-40.8	178.4	172.8	0	0	0	0	110.4	V15 L42 M46 F76 D77 G78 L83 R84	V15-V80 HydrophobicContact CG1-CG2 3.57Å; L42-V80 HydrophobicContact CD1-CG1 4.35Å; L42-V80 HydrophobicContact CD2-CG1 4.03Å; L42-V80 HydrophobicContact CG-CG1 3.99Å; M46-V80 HydrophobicContact CG-CG1 4.29Å; M46-V80 HydrophobicContact SD-CG1 4.42Å; M46-V80 HydrophobicContact SD-CG2 4.34Å; F76-V80 HydrophobicContact CE1-CG2 4.3Å; F76-V80 HydrophobicContact CZ-CG2 4.35Å; F76-V80 WeakPolarHBondContact O-CG2 3.25Å; F76-V80 PolarHBondContact O-N 3.17Å; D77-V80 PolarHBondContact O-N 3.49Å; G78-V80 VanDerWaalsContact C-N 3.32Å; G78-V80 PolarHBondContact O-N 2.79Å; V80-L83 PolarHBondContact O-N 2.67Å; V80-R84 VanDerWaalsContact O-CG 3.23Å; V80-R84 WeakPolarHBondContact O-CG 3.1Å; V80-R84 PolarHBondContact O-N 3.14Å; V80-R84 VanDerWaalsContact O-N 3.09Å
81	R	90.4	Very high	90.5	Very high	146 Å²	146	63.1 Å²	63.1	55%	0.551	30%	0.303	S	S	*	.	H	α-helix	trans	-63.9	-42	178.9	-167.3	-178.9	-59.4	162.6	-1.7	111.9	D77 G78 R84 V85	D77-R81 WeakPolarHBondContact O-CB 3.41Å; D77-R81 PolarHBondContact O-N 2.87Å; D77-R81 IonicContact OD2-CZ 3.3Å; D77-R81 IonicContact OD2-NE 2.79Å; D77-R81 IonicContact OD2-NH2 3.76Å; D77-R81 PolarHBondContact OD2-NH2 2.97Å; G78-R81 WeakPolarHBondContact O-CB 3.26Å; G78-R81 PolarHBondContact O-N 3.02Å; R81-R84 PolarHBondContact O-N 3.16Å; R81-V85 WeakPolarHBondContact O-CG2 3.42Å; R81-V85 PolarHBondContact O-N 3.21Å; R81-V85 VanDerWaalsContact O-N 3.16Å
82	E	92	Very high	90.2	Very high	125 Å²	125	65 Å²	65	58%	0.584	31%	0.312	S	S	*	.	H	α-helix	trans	-61.4	-46.9	177.1	-169.8	171.4	-166.4	0	0	111.7	G78 R84 V85 Q86	G78-E82 PolarHBondContact O-N 3.07Å; E82-R84 VanDerWaalsContact C-N 3.31Å; E82-R84 PolarHBondContact O-N 3.36Å; E82-V85 WeakPolarHBondContact O-CB 3.43Å; E82-V85 PolarHBondContact O-N 2.81Å; E82-V85 VanDerWaalsContact O-N 3.13Å; E82-Q86 PolarHBondContact O-N 2.81Å
83	L	93.4	Very high	89.8	Confident	5 Å²	5	71.5 Å²	71.5	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-62.5	-36.7	176.5	-176.9	62.4	0	0	0	112.9	K19 L22 L23 I26 L42 E79 V80 V85 Q86 A87	K19-L83 HydrophobicContact CB-CD2 4.02Å; K19-L83 HydrophobicContact CG-CD2 3.4Å; K19-L83 VanDerWaalsContact CG-CD2 3.4Å; K19-L83 WeakPolarHBondContact O-CD2 3.2Å; L22-L83 HydrophobicContact CB-CD2 4.13Å; L22-L83 HydrophobicContact CD2-CD2 4Å; L22-L83 HydrophobicContact CD2-CG 3.96Å; L22-L83 HydrophobicContact CG-CD2 4.21Å; L22-L83 HydrophobicContact CG-CG 4.27Å; L23-L83 HydrophobicContact CB-CD1 4.17Å; L23-L83 HydrophobicContact CD1-CD1 3.66Å; L23-L83 HydrophobicContact CD1-CD2 4.26Å; L23-L83 HydrophobicContact CG-CD1 3.71Å; I26-L83 HydrophobicContact CD1-CD1 4.12Å; L42-L83 HydrophobicContact CD2-CD2 4.42Å; E79-L83 PolarHBondContact O-N 2.89Å; V80-L83 PolarHBondContact O-N 2.67Å; L83-V85 VanDerWaalsContact C-N 3.28Å; L83-V85 PolarHBondContact O-N 2.85Å; L83-Q86 WeakPolarHBondContact O-CB 3.34Å; L83-Q86 PolarHBondContact O-N 3.33Å; L83-A87 PolarHBondContact O-N 2.78Å
84	R	92.8	Very high	88.9	Confident	55 Å²	55	71.6 Å²	71.6	21%	0.208	33%	0.333	C	S	.	.	H	α-helix	trans	-65.2	-33.3	176.4	-69.4	171.1	62.4	-164	5	112.5	E39 L42 T43 V80 R81 E82 R88	E39-R84 HydrophobicContact CG-CB 4.13Å; E39-R84 HydrophobicContact CG-CG 4.05Å; E39-R84 IonicContact OE1-CZ 3.67Å; E39-R84 IonicContact OE1-NE 3.2Å; E39-R84 PolarHBondContact OE1-NE 3.25Å; E39-R84 IonicContact OE1-NH2 3.93Å; E39-R84 PolarHBondContact OE1-NH2 3.3Å; L42-R84 HydrophobicContact CD2-CG 3.93Å; T43-R84 PolarHBondContact OG1-NE 3.25Å; T43-R84 VanDerWaalsContact OG1-NE 3.15Å; T43-R84 PolarHBondContact OG1-NH2 3.27Å; V80-R84 VanDerWaalsContact O-CG 3.23Å; V80-R84 WeakPolarHBondContact O-CG 3.1Å; V80-R84 PolarHBondContact O-N 3.14Å; V80-R84 VanDerWaalsContact O-N 3.09Å; R81-R84 PolarHBondContact O-N 3.16Å; E82-R84 VanDerWaalsContact C-N 3.31Å; E82-R84 PolarHBondContact O-N 3.36Å; R84-R88 VanDerWaalsContact NH2-NH2 3.1Å; R84-R88 WeakPolarHBondContact O-CG 3.45Å; R84-R88 PolarHBondContact O-N 3.26Å; R84-R88 VanDerWaalsContact O-N 3.16Å
85	V	90.6	Very high	87.7	Confident	74 Å²	74	69.3 Å²	69.3	45%	0.448	32%	0.322	S	S	.	.	H	α-helix	trans	-67	-47.3	172.5	174.7	0	0	0	0	109.7	R81 E82 L83 A87 R88 D89	R81-V85 WeakPolarHBondContact O-CG2 3.42Å; R81-V85 PolarHBondContact O-N 3.21Å; R81-V85 VanDerWaalsContact O-N 3.16Å; E82-V85 WeakPolarHBondContact O-CB 3.43Å; E82-V85 PolarHBondContact O-N 2.81Å; E82-V85 VanDerWaalsContact O-N 3.13Å; L83-V85 VanDerWaalsContact C-N 3.28Å; L83-V85 PolarHBondContact O-N 2.85Å; V85-A87 VanDerWaalsContact C-N 3.28Å; V85-A87 PolarHBondContact O-N 3.37Å; V85-R88 PolarHBondContact O-N 3.39Å; V85-R88 VanDerWaalsContact O-N 3.11Å; V85-D89 PolarHBondContact O-N 3.1Å
86	Q	91.6	Very high	86	Confident	84 Å²	84	65.4 Å²	65.4	39%	0.393	32%	0.315	S	S	.	.	H	α-helix	trans	-56.4	-41.7	175.6	-65.6	175.4	11.2	0	0	112.4	I26 E82 L83 D89 Y90	I26-Q86 HydrophobicContact CD1-CB 4.47Å; E82-Q86 PolarHBondContact O-N 2.81Å; L83-Q86 WeakPolarHBondContact O-CB 3.34Å; L83-Q86 PolarHBondContact O-N 3.33Å; Q86-D89 PolarHBondContact O-N 3.19Å; Q86-Y90 WeakPolarHBondContact O-CB 3.03Å; Q86-Y90 PolarHBondContact O-N 3.47Å
87	A	91.8	Very high	84.3	Confident	2 Å²	2	68.8 Å²	68.8	2%	0.017	34%	0.337	C	S	.	.	H	α-helix	trans	-62.2	-42.9	176.7	0	0	0	0	0	112.6	L22 I26 V35 E39 L83 V85 Y90 V91	L22-A87 HydrophobicContact CD1-CB 4.01Å; L22-A87 HydrophobicContact CD2-CB 4.03Å; L22-A87 HydrophobicContact CG-CB 4.28Å; I26-A87 HydrophobicContact CD1-CB 3.86Å; V35-A87 HydrophobicContact CG1-CB 3.84Å; E39-A87 HydrophobicContact CB-CB 4.3Å; E39-A87 HydrophobicContact CG-CB 4.29Å; L83-A87 PolarHBondContact O-N 2.78Å; V85-A87 VanDerWaalsContact C-N 3.28Å; V85-A87 PolarHBondContact O-N 3.37Å; A87-Y90 PolarHBondContact O-N 3.38Å; A87-V91 VanDerWaalsContact O-CG2 3.3Å; A87-V91 WeakPolarHBondContact O-CG2 3.38Å; A87-V91 PolarHBondContact O-N 3.36Å
88	R	88.7	Confident	82.2	Confident	126 Å²	126	71.8 Å²	71.8	48%	0.475	36%	0.357	S	S	.	.	H	α-helix	trans	-68.4	-41.9	177.6	-73.1	177.3	-173.2	164.8	7.9	111.9	E39 R84 V85 Y90 V91 S92	E39-R88 IonicContact OE1-CZ 3.77Å; E39-R88 IonicContact OE1-NE 2.77Å; E39-R88 IonicContact OE1-NH2 3.48Å; E39-R88 PolarHBondContact OE1-NH2 3.45Å; E39-R88 IonicContact OE2-NH2 3.95Å; R84-R88 VanDerWaalsContact NH2-NH2 3.1Å; R84-R88 WeakPolarHBondContact O-CG 3.45Å; R84-R88 PolarHBondContact O-N 3.26Å; R84-R88 VanDerWaalsContact O-N 3.16Å; V85-R88 PolarHBondContact O-N 3.39Å; V85-R88 VanDerWaalsContact O-N 3.11Å; R88-Y90 VanDerWaalsContact C-N 3.32Å; R88-Y90 PolarHBondContact O-N 3.12Å; R88-V91 PolarHBondContact O-N 2.62Å; R88-S92 WeakPolarHBondContact O-CB 3.44Å; R88-S92 PolarHBondContact O-N 3.28Å; R88-S92 PolarHBondContact O-OG 3.46Å
89	D	88.3	Confident	79.8	Confident	81 Å²	81	76.6 Å²	76.6	43%	0.433	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-42	175.8	-78	-0.4	0	0	0	111.2	V85 Q86 S92 R93	V85-D89 PolarHBondContact O-N 3.1Å; Q86-D89 PolarHBondContact O-N 3.19Å; D89-S92 PolarHBondContact O-N 3.45Å; D89-R93 WeakPolarHBondContact O-CB 3.1Å; D89-R93 VanDerWaalsContact O-CG 3.26Å; D89-R93 WeakPolarHBondContact O-CG 3.21Å; D89-R93 PolarHBondContact O-N 3.01Å
90	Y	90.5	Very high	77.2	Confident	37 Å²	37	80 Å²	80	15%	0.145	39%	0.39	C	S	.	.	H	α-helix	trans	-57.2	-52.5	172.6	175.6	-92.7	0	0	0	111.3	I26 E29 K30 V35 Q86 A87 R88 S92 R93 S94	I26-Y90 HydrophobicContact CG1-CG 4.35Å; I26-Y90 HydrophobicContact CG2-CD2 3.95Å; I26-Y90 HydrophobicContact CG2-CG 4.13Å; E29-Y90 WeakPolarHBondContact CA-OH 3.48Å; E29-Y90 HydrophobicContact CG-CE2 4.49Å; E29-Y90 PolarHBondContact O-OH 2.85Å; K30-Y90 VanDerWaalsContact O-CE1 3.29Å; K30-Y90 WeakPolarHBondContact O-CE1 3.27Å; K30-Y90 PolarHBondContact O-OH 3.2Å; V35-Y90 HydrophobicContact CB-CD1 4.11Å; V35-Y90 HydrophobicContact CB-CE1 4.35Å; V35-Y90 HydrophobicContact CG1-CD1 3.96Å; V35-Y90 HydrophobicContact CG2-CD1 3.83Å; V35-Y90 HydrophobicContact CG2-CE1 3.71Å; Q86-Y90 WeakPolarHBondContact O-CB 3.03Å; Q86-Y90 PolarHBondContact O-N 3.47Å; A87-Y90 PolarHBondContact O-N 3.38Å; R88-Y90 VanDerWaalsContact C-N 3.32Å; R88-Y90 PolarHBondContact O-N 3.12Å; Y90-S92 PolarHBondContact O-N 3.19Å; Y90-R93 PolarHBondContact O-N 3.05Å; Y90-S94 PolarHBondContact O-N 2.78Å; Y90-S94 PolarHBondContact O-OG 3.41Å; Y90-S94 VanDerWaalsContact O-OG 3.07Å
91	V	86.4	Confident	74.5	Confident	14 Å²	14	86.8 Å²	86.8	9%	0.085	43%	0.427	C	S	.	.	H	α-helix	trans	-59.6	-45	179.8	171.4	0	0	0	0	111.5	P32 V35 E36 A87 R88 S94 I95	P32-V91 HydrophobicContact CB-CB 4.4Å; P32-V91 HydrophobicContact CB-CG1 4.14Å; P32-V91 HydrophobicContact CB-CG2 4.16Å; P32-V91 WeakPolarHBondContact O-CG2 3.43Å; V35-V91 HydrophobicContact CB-CG2 4.03Å; V35-V91 HydrophobicContact CG1-CG2 3.96Å; E36-V91 HydrophobicContact CB-CG2 4.31Å; A87-V91 VanDerWaalsContact O-CG2 3.3Å; A87-V91 WeakPolarHBondContact O-CG2 3.38Å; A87-V91 PolarHBondContact O-N 3.36Å; R88-V91 PolarHBondContact O-N 2.62Å; V91-S94 PolarHBondContact O-N 3.44Å; V91-I95 HydrophobicContact CG1-CD1 3.76Å; V91-I95 HydrophobicContact CG1-CG1 4.49Å; V91-I95 WeakPolarHBondContact O-CD1 3.44Å; V91-I95 VanDerWaalsContact O-CG1 3.23Å; V91-I95 WeakPolarHBondContact O-CG1 3.28Å; V91-I95 PolarHBondContact O-N 3.48Å
92	S	81.8	Confident	71.6	Confident	67 Å²	67	88.8 Å²	88.8	47%	0.469	44%	0.439	S	S	.	.	H	α-helix	trans	-63.2	-41.4	177.4	-69.1	0	0	0	0	112.6	R88 D89 Y90 I95 N96	R88-S92 WeakPolarHBondContact O-CB 3.44Å; R88-S92 PolarHBondContact O-N 3.28Å; R88-S92 PolarHBondContact O-OG 3.46Å; D89-S92 PolarHBondContact O-N 3.45Å; Y90-S92 PolarHBondContact O-N 3.19Å; S92-I95 PolarHBondContact O-N 3.46Å; S92-N96 PolarHBondContact O-N 2.83Å
93	R	79.2	Confident	68.5	Low	182 Å²	182	87.1 Å²	87.1	69%	0.687	44%	0.442	S	S	*	.	H	α-helix	trans	-63.8	-46	176.1	-74.3	175.3	-170.9	-175.8	4.8	111.6	D89 Y90 I95 N96 T97	D89-R93 WeakPolarHBondContact O-CB 3.1Å; D89-R93 VanDerWaalsContact O-CG 3.26Å; D89-R93 WeakPolarHBondContact O-CG 3.21Å; D89-R93 PolarHBondContact O-N 3.01Å; Y90-R93 PolarHBondContact O-N 3.05Å; R93-I95 VanDerWaalsContact C-N 3.34Å; R93-I95 PolarHBondContact O-N 3.15Å; R93-N96 PolarHBondContact O-N 2.96Å; R93-N96 VanDerWaalsContact O-N 3.15Å; R93-T97 PolarHBondContact O-N 2.8Å; R93-T97 PolarHBondContact O-OG1 3.38Å
94	S	73.3	Confident	65.4	Low	19 Å²	19	94.2 Å²	94.2	13%	0.133	48%	0.479	C	S	.	.	H	α-helix	trans	-65.2	-35.5	179.8	-56.8	0	0	0	0	113.1	Y90 V91 N96 T97 T98	Y90-S94 PolarHBondContact O-N 2.78Å; Y90-S94 PolarHBondContact O-OG 3.41Å; Y90-S94 VanDerWaalsContact O-OG 3.07Å; V91-S94 PolarHBondContact O-N 3.44Å; S94-N96 VanDerWaalsContact C-N 3.3Å; S94-N96 PolarHBondContact O-N 3.38Å; S94-T97 WeakPolarHBondContact CA-OG1 3.25Å; S94-T97 PolarHBondContact O-OG1 3.16Å; S94-T98 PolarHBondContact O-N 2.87Å; S94-T98 VanDerWaalsContact O-N 3.14Å; S94-T98 PolarHBondContact O-OG1 3.36Å
95	I	63.7	Low	62.2	Low	88 Å²	88	97.6 Å²	97.6	45%	0.451	51%	0.506	S	S	.	.	H	α-helix	trans	-62.8	-41.2	173.7	-69.3	165.1	0	0	0	110.2	V91 S92 R93 T98 L99	V91-I95 HydrophobicContact CG1-CD1 3.76Å; V91-I95 HydrophobicContact CG1-CG1 4.49Å; V91-I95 WeakPolarHBondContact O-CD1 3.44Å; V91-I95 VanDerWaalsContact O-CG1 3.23Å; V91-I95 WeakPolarHBondContact O-CG1 3.28Å; V91-I95 PolarHBondContact O-N 3.48Å; S92-I95 PolarHBondContact O-N 3.46Å; R93-I95 VanDerWaalsContact C-N 3.34Å; R93-I95 PolarHBondContact O-N 3.15Å; I95-T98 PolarHBondContact O-N 3.34Å; I95-L99 PolarHBondContact O-N 3.2Å
96	N	55.5	Low	59.2	Low	102 Å²	102	101 Å²	101	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-70.4	-40	179.5	-70.2	-11.5	0	0	0	112.8	S92 R93 S94 T98 L99	S92-N96 PolarHBondContact O-N 2.83Å; R93-N96 PolarHBondContact O-N 2.96Å; R93-N96 VanDerWaalsContact O-N 3.15Å; S94-N96 VanDerWaalsContact C-N 3.3Å; S94-N96 PolarHBondContact O-N 3.38Å; N96-T98 VanDerWaalsContact C-N 3.25Å; N96-T98 PolarHBondContact O-N 3.03Å; N96-L99 PolarHBondContact O-N 3.41Å; N96-L99 VanDerWaalsContact O-N 3.09Å
97	T	54.1	Low	56.1	Low	88 Å²	88	101.6 Å²	101.6	54%	0.54	54%	0.538	S	S	.	.	H	α-helix	trans	-66.5	-26.3	174	19.6	0	0	0	0	113.1	R93 S94 L99	R93-T97 PolarHBondContact O-N 2.8Å; R93-T97 PolarHBondContact O-OG1 3.38Å; S94-T97 WeakPolarHBondContact CA-OG1 3.25Å; S94-T97 PolarHBondContact O-OG1 3.16Å; T97-L99 PolarHBondContact O-N 3.28Å
98	T	46.8	Very low	52.9	Low	92 Å²	92	110.9 Å²	110.9	56%	0.564	58%	0.581	S	S	*	*	H	α-helix	trans	-73.5	-18.3	174.8	-35.2	0	0	0	0	112.3	S94 I95 N96	S94-T98 PolarHBondContact O-N 2.87Å; S94-T98 VanDerWaalsContact O-N 3.14Å; S94-T98 PolarHBondContact O-OG1 3.36Å; I95-T98 PolarHBondContact O-N 3.34Å; N96-T98 VanDerWaalsContact C-N 3.25Å; N96-T98 PolarHBondContact O-N 3.03Å
99	L	40.7	Very low	50.1	Low	132 Å²	132	109.6 Å²	109.6	69%	0.691	60%	0.597	S	S	*	*	H	α-helix	trans	-85.8	-23.7	178.3	-72.6	166.9	0	0	0	113.1	I95 N96 T97	I95-L99 PolarHBondContact O-N 3.2Å; N96-L99 PolarHBondContact O-N 3.41Å; N96-L99 VanDerWaalsContact O-N 3.09Å; T97-L99 PolarHBondContact O-N 3.28Å
100	E	37.4	Very low	47.3	Very low	159 Å²	159	114 Å²	114	74%	0.743	62%	0.621	S	S	*	*	H	α-helix	trans	-88.9	-21.9	-179.3	-72.2	-177.7	168.5	0	0	114.4
101	N	35	Very low	44.6	Very low	144 Å²	144	117.1 Å²	117.1	77%	0.77	65%	0.654	S	S	*	*	S	Bend	trans	-101.5	31.1	-175.7	-85.4	-10.8	0	0	0	115.7
102	K	29.8	Very low	42.1	Very low	189 Å²	189	120.2 Å²	120.2	82%	0.822	69%	0.689	S	S	*	*			trans	-127.1	55.7	168.7	-77.4	-171.1	176.3	-178.8	0	112.3
103	S	27.1	Very low	39.8	Very low	90 Å²	90	123.5 Å²	123.5	63%	0.629	71%	0.712	S	S	*	*	S	Bend	trans	-103.5	129	147.8	47.6	0	0	0	0	107.7
104	D	27.6	Very low	37.7	Very low	153 Å²	153	117.4 Å²	117.4	82%	0.818	71%	0.706	S	S	*	*	S	Bend	trans	65.5	97.6	172.9	-53.3	-32.6	0	0	0	116.4
105	V	27.2	Very low	36.3	Very low	126 Å²	126	122.2 Å²	122.2	76%	0.764	74%	0.736	S	S	*	*				-169.8	114.2	114.4	-170.3	0	0	0	0	106.9	P107	V105-P107 HydrophobicContact CG1-CG 3.72Å
106	V	26.9	Very low	35.2	Very low	146 Å²	146	126.5 Å²	126.5	89%	0.885	76%	0.759	S	S	*	*			trans	-91.6	115.5	160.4	175.9	0	0	0	0	107.1
107	P	26.4	Very low	34.8	Very low	97 Å²	97	128.7 Å²	128.7	63%	0.63	77%	0.77	S	S	*	*			trans	-139.5	122.1	143.8	25.2	-2.7	0	0	0	111.7	V105 A109	V105-P107 HydrophobicContact CG1-CG 3.72Å; P107-A109 PolarHBondContact O-N 3.38Å
108	Q	24.9	Very low	34.8	Very low	196 Å²	196	130.1 Å²	130.1	92%	0.916	78%	0.781	S	S	*	*			trans	1.9	109.7	147.3	-65.9	170.8	-20.1	0	0	117.1
109	A	29.4	Very low	35.6	Very low	99 Å²	99	135.8 Å²	135.8	82%	0.818	80%	0.798	S	S	*	*			trans	-138	120.5	150	0	0	0	0	0	108.9	P107 A111	P107-A109 PolarHBondContact O-N 3.38Å; A109-A111 PolarHBondContact O-N 3.27Å
110	N	29	Very low	36.7	Very low	174 Å²	174	137.2 Å²	137.2	93%	0.93	79%	0.794	S	S	*	*			trans	-59.9	122.9	-177.6	-75.5	-33.4	0	0	0	112.9
111	A	34.5	Very low	38.7	Very low	103 Å²	103	134.2 Å²	134.2	85%	0.851	79%	0.791	S	S	*	*			trans	-162.2	100.7	153.2	0	0	0	0	0	112.3	A109	A109-A111 PolarHBondContact O-N 3.27Å
112	G	33	Very low	41	Very low	79 Å²	79	129.9 Å²	129.9	81%	0.814	77%	0.767	S	S	*	*			trans	70.9	80.3	148.3	0	0	0	0	0	118.6	G114	G112-G114 VanDerWaalsContact C-N 3.35Å; G112-G114 PolarHBondContact O-N 3.01Å
113	S	33.8	Very low	43.6	Very low	136 Å²	136	121.7 Å²	121.7	95%	0.951	73%	0.733	S	S	*	*			trans	-66.5	86.6	159	55.8	0	0	0	0	110.9
114	G	36.1	Very low	46.8	Very low	54 Å²	54	123.8 Å²	123.8	56%	0.557	73%	0.731	S	S	*	*			trans	-119.8	143.9	165.8	0	0	0	0	0	110.1	G112 L116	G112-G114 VanDerWaalsContact C-N 3.35Å; G112-G114 PolarHBondContact O-N 3.01Å; G114-L116 PolarHBondContact O-N 2.9Å
115	P	42.8	Very low	50	Low	119 Å²	119	116.5 Å²	116.5	77%	0.773	69%	0.692	S	S	*	*			trans	-55.3	139.1	177.4	22.2	-31.5	0	0	0	110.5	L117	P115-L117 PolarHBondContact O-N 3.48Å
116	L	41.9	Very low	53.1	Low	179 Å²	179	112.7 Å²	112.7	94%	0.937	67%	0.671	S	S	*	*			trans	-57.9	97.5	175.8	-99.6	117	0	0	0	109.4	G114	G114-L116 PolarHBondContact O-N 2.9Å
117	L	47	Very low	56.2	Low	148 Å²	148	106.5 Å²	106.5	78%	0.775	64%	0.637	S	S	*	*			trans	-63	145.1	170	-70.4	169.5	0	0	0	108.9	P115 K119	P115-L117 PolarHBondContact O-N 3.48Å; L117-K119 PolarHBondContact O-N 3.5Å
118	P	53.3	Low	59.3	Low	118 Å²	118	104.9 Å²	104.9	77%	0.766	62%	0.623	S	S	*	*			trans	-49.6	140.6	173	-25	32.6	0	0	0	110.9	W120	P118-W120 PolarHBondContact O-N 3.19Å
119	K	63.1	Low	62.4	Low	210 Å²	210	97.7 Å²	97.7	91%	0.913	59%	0.59	S	S	*	*			trans	-55.3	110.2	-176.7	-162.1	176.2	-173.1	176	0	110	L117 S121	L117-K119 PolarHBondContact O-N 3.5Å; K119-S121 PolarHBondContact O-N 2.96Å
120	W	65.6	Low	65.3	Low	163 Å²	163	96.1 Å²	96.1	62%	0.617	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-62.9	119.2	180	-169.4	-0.6	0	0	0	109.5	P118 A141	P118-W120 PolarHBondContact O-N 3.19Å; W120-A141 HydrophobicContact CH2-CB 4.37Å
121	S	78.8	Confident	68.2	Low	95 Å²	95	92 Å²	92	66%	0.664	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-83.9	143.4	176.1	64.4	0	0	0	0	111.3	K119	K119-S121 PolarHBondContact O-N 2.96Å
122	L	82.8	Confident	71	Confident	53 Å²	53	87.7 Å²	87.7	28%	0.277	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-64.4	131	178	-83.4	143.3	0	0	0	111	F139 V143 Y157	L122-F139 HydrophobicContact CD2-CD2 4.1Å; L122-F139 HydrophobicContact CD2-CE2 4.06Å; L122-V143 HydrophobicContact CD2-CG2 3.62Å; L122-Y157 HydrophobicContact CD1-CD1 3.56Å; L122-Y157 HydrophobicContact CD1-CE1 4.05Å; L122-Y157 HydrophobicContact CD1-CG 4.48Å
123	P	85	Confident	73.6	Confident	17 Å²	17	85.8 Å²	85.8	11%	0.11	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-63.3	149.5	178.4	30.7	-38.4	0	0	0	110.7	F135 Q138 A161	P123-F135 HydrophobicContact CB-CD2 4.05Å; P123-F135 HydrophobicContact CG-CD2 3.9Å; P123-F135 HydrophobicContact CG-CE2 4.19Å; P123-Q138 HydrophobicContact CB-CB 4.29Å; P123-Q138 HydrophobicContact CG-CB 3.78Å; P123-A161 VanDerWaalsContact O-CB 3.31Å; P123-A161 WeakPolarHBondContact O-CB 3.47Å
124	K	92.8	Very high	76.2	Confident	134 Å²	134	82.7 Å²	82.7	58%	0.583	46%	0.456	S	S	*	.			trans	-104.5	141.7	176.5	-64.7	-69.7	177.7	175.4	0	110.6	S160 A161 T163	K124-S160 PolarHBondContact NZ-O 3.33Å; K124-A161 CarbonylContact C-O 3.59Å; K124-A161 VanDerWaalsContact CA-O 3.29Å; K124-A161 WeakPolarHBondContact CA-O 3.42Å; K124-T163 HydrophobicContact CD-CG2 4.48Å
125	F	96.2	Very high	79	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	43%	0.431	C	S	.	.	B	Isolated β-bridge	trans	-129.7	127.1	178.9	-178	-120.3	0	0	0	112.5	G127 N128 E131 F132 F135 A161 L162 T163 A166 F191	F125-G127 VanDerWaalsContact CZ-CA 3.46Å; F125-N128 VanDerWaalsContact CE2-O 3.28Å; F125-N128 WeakPolarHBondContact CE2-O 3.23Å; F125-E131 HydrophobicContact CD2-CB 4.42Å; F125-E131 HydrophobicContact CE2-CB 4.34Å; F125-F132 AromaticContact CE1-CD2 3.83Å; F125-F132 HydrophobicContact CE1-CD2 3.83Å; F125-F132 HydrophobicContact CE1-CE2 4.45Å; F125-F132 HydrophobicContact CE2-CB 4.01Å; F125-F132 HydrophobicContact CE2-CD2 4.19Å; F125-F132 HydrophobicContact CZ-CB 4.03Å; F125-F132 AromaticContact CZ-CD2 3.6Å; F125-F132 HydrophobicContact CZ-CD2 3.6Å; F125-F132 HydrophobicContact CZ-CG 4.31Å; F125-F135 HydrophobicContact CB-CB 4.2Å; F125-F135 HydrophobicContact CB-CD1 3.65Å; F125-F135 HydrophobicContact CB-CD2 3.51Å; F125-F135 HydrophobicContact CB-CE1 3.82Å; F125-F135 HydrophobicContact CB-CE2 3.68Å; F125-F135 HydrophobicContact CB-CG 3.48Å; F125-F135 VanDerWaalsContact CB-CG 3.48Å; F125-F135 HydrophobicContact CB-CZ 3.83Å; F125-F135 AromaticContact CD1-CD1 3.98Å; F125-F135 HydrophobicContact CD1-CD1 3.98Å; F125-F135 HydrophobicContact CD1-CE1 4.03Å; F125-F135 HydrophobicContact CD2-CB 4.02Å; F125-F135 HydrophobicContact CD2-CD1 4.1Å; F125-F135 HydrophobicContact CD2-CG 4.07Å; F125-F135 HydrophobicContact CG-CB 4.29Å; F125-F135 AromaticContact CG-CD1 3.65Å; F125-F135 HydrophobicContact CG-CD1 3.65Å; F125-F135 HydrophobicContact CG-CD2 4.36Å; F125-F135 HydrophobicContact CG-CE1 4.02Å; F125-F135 AromaticContact CG-CG 3.82Å; F125-F135 HydrophobicContact CG-CG 3.82Å; F125-A161 PolarHBondContact N-O 2.96Å; F125-L162 HydrophobicContact CB-CD2 4.27Å; F125-L162 HydrophobicContact CD1-CD2 3.97Å; F125-L162 CarbonylContact O-C 3.55Å; F125-T163 PolarHBondContact O-N 2.75Å; F125-T163 PolarHBondContact O-OG1 3.43Å; F125-T163 VanDerWaalsContact O-OG1 3.05Å; F125-A166 HydrophobicContact CD1-CB 3.41Å; F125-A166 VanDerWaalsContact CD1-CB 3.41Å; F125-A166 HydrophobicContact CE1-CB 3.59Å; F125-A166 HydrophobicContact CG-CB 4.42Å; F125-F191 HydrophobicContact CE1-CB 4.17Å; F125-F191 HydrophobicContact CE1-CD1 4.39Å; F125-F191 AromaticContact CE1-CD2 3.95Å; F125-F191 HydrophobicContact CE1-CD2 3.95Å; F125-F191 HydrophobicContact CE1-CE2 4.46Å; F125-F191 AromaticContact CE1-CG 3.92Å; F125-F191 HydrophobicContact CE1-CG 3.92Å; F125-F191 HydrophobicContact CZ-CB 3.98Å; F125-F191 HydrophobicContact CZ-CD1 4.25Å; F125-F191 HydrophobicContact CZ-CD2 4.49Å; F125-F191 AromaticContact CZ-CG 4Å; F125-F191 HydrophobicContact CZ-CG 4Å
126	S	92.9	Very high	81.5	Confident	47 Å²	47	75.3 Å²	75.3	33%	0.329	40%	0.396	S	S	.	.			trans	-96.7	-17.4	-174.5	66.2	0	0	0	0	114.3	T163 N165 A166	S126-T163 CarbonylContact C-O 3.41Å; S126-T163 WeakPolarHBondContact CA-O 3.35Å; S126-T163 WeakPolarHBondContact CA-OG1 3.31Å; S126-N165 PolarHBondContact O-N 3.21Å; S126-A166 PolarHBondContact O-N 3.15Å
127	G	90.5	Very high	83.7	Confident	15 Å²	15	71.1 Å²	71.1	16%	0.155	38%	0.375	C	S	.	.	S	Bend	trans	105.2	6.9	-169.8	0	0	0	0	0	114.7	F125 L129 F191	F125-G127 VanDerWaalsContact CZ-CA 3.46Å; G127-L129 PolarHBondContact O-N 3.26Å; G127-F191 WeakPolarHBondContact O-CD1 3.08Å
128	N	91.6	Very high	85.8	Confident	64 Å²	64	67.4 Å²	67.4	34%	0.342	35%	0.353	S	S	.	.			trans	-71.2	121.4	172.1	-176.7	-0.4	0	0	0	110.8	F125 L130 E131	F125-N128 VanDerWaalsContact CE2-O 3.28Å; F125-N128 WeakPolarHBondContact CE2-O 3.23Å; N128-L130 PolarHBondContact O-N 3.14Å; N128-L130 PolarHBondContact OD1-N 2.97Å; N128-E131 HydrophobicContact CB-CB 4.36Å; N128-E131 HydrophobicContact CB-CG 4.21Å; N128-E131 PolarHBondContact ND2-OE1 3.19Å; N128-E131 PolarHBondContact O-N 2.96Å; N128-E131 VanDerWaalsContact O-N 3.12Å
129	L	89.4	Confident	87.8	Confident	45 Å²	45	61.8 Å²	61.8	24%	0.236	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-58.6	-33.9	-177.8	-68.9	169	0	0	0	113.1	G127 E131 F132 F191 A196	G127-L129 PolarHBondContact O-N 3.26Å; L129-E131 PolarHBondContact O-N 2.7Å; L129-F132 PolarHBondContact O-N 3.43Å; L129-F191 HydrophobicContact CD2-CB 4.39Å; L129-F191 HydrophobicContact CD2-CD1 4.46Å; L129-F191 VanDerWaalsContact CD2-O 3.27Å; L129-F191 WeakPolarHBondContact CD2-O 3.33Å; L129-A196 HydrophobicContact CD1-CB 4.44Å
130	L	90.7	Very high	89.2	Confident	66 Å²	66	54.7 Å²	54.7	35%	0.346	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-71	-18.5	-178.4	-58.6	176.8	0	0	0	113.1	N128 A200 H201	N128-L130 PolarHBondContact O-N 3.14Å; N128-L130 PolarHBondContact OD1-N 2.97Å; L130-A200 HydrophobicContact CD2-CB 3.71Å; L130-A200 HydrophobicContact CG-CB 4.49Å; L130-H201 WeakPolarHBondContact CD2-NE2 3.38Å
131	E	91.1	Very high	90.2	Very high	87 Å²	87	50 Å²	50	41%	0.407	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-98.3	-11.9	-178.6	-69.2	163.7	-153.1	0	0	112.6	F125 N128 L129 T133 S134 F135	F125-E131 HydrophobicContact CD2-CB 4.42Å; F125-E131 HydrophobicContact CE2-CB 4.34Å; N128-E131 HydrophobicContact CB-CB 4.36Å; N128-E131 HydrophobicContact CB-CG 4.21Å; N128-E131 PolarHBondContact ND2-OE1 3.19Å; N128-E131 PolarHBondContact O-N 2.96Å; N128-E131 VanDerWaalsContact O-N 3.12Å; L129-E131 PolarHBondContact O-N 2.7Å; E131-T133 PolarHBondContact O-N 3.45Å; E131-S134 PolarHBondContact O-N 3.36Å; E131-F135 WeakPolarHBondContact O-CB 3.45Å; E131-F135 PolarHBondContact O-N 3.41Å
132	F	92.4	Very high	90.5	Very high	12 Å²	12	46.6 Å²	46.6	5%	0.053	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-45.7	-168.6	-178.8	-93.5	0	0	0	113	F125 L129 F135 W136 L187 K188 F191 I197	F125-F132 AromaticContact CE1-CD2 3.83Å; F125-F132 HydrophobicContact CE1-CD2 3.83Å; F125-F132 HydrophobicContact CE1-CE2 4.45Å; F125-F132 HydrophobicContact CE2-CB 4.01Å; F125-F132 HydrophobicContact CE2-CD2 4.19Å; F125-F132 HydrophobicContact CZ-CB 4.03Å; F125-F132 AromaticContact CZ-CD2 3.6Å; F125-F132 HydrophobicContact CZ-CD2 3.6Å; F125-F132 HydrophobicContact CZ-CG 4.31Å; L129-F132 PolarHBondContact O-N 3.43Å; F132-F135 PolarHBondContact O-N 3.17Å; F132-W136 HydrophobicContact CD1-CB 4.5Å; F132-W136 HydrophobicContact CE1-CB 4.06Å; F132-W136 HydrophobicContact CE1-CG 4.41Å; F132-W136 HydrophobicContact CZ-CB 4.21Å; F132-W136 HydrophobicContact CZ-CG 4.41Å; F132-W136 WeakPolarHBondContact O-CB 3.32Å; F132-W136 PolarHBondContact O-N 2.98Å; F132-L187 HydrophobicContact CE2-CB 4.5Å; F132-K188 HydrophobicContact CZ-CG 4.14Å; F132-F191 HydrophobicContact CD2-CB 3.48Å; F132-F191 VanDerWaalsContact CD2-CB 3.48Å; F132-F191 HydrophobicContact CE2-CB 3.86Å; F132-F191 HydrophobicContact CG-CB 4.08Å; F132-I197 HydrophobicContact CD1-CD1 4.29Å
133	T	88	Confident	90.9	Very high	40 Å²	40	44.3 Å²	44.3	25%	0.245	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-51.7	-178.4	-46.6	0	0	0	0	111	E131 F135 W136 D137 L237	E131-T133 PolarHBondContact O-N 3.45Å; T133-F135 VanDerWaalsContact C-N 3.34Å; T133-F135 PolarHBondContact O-N 2.9Å; T133-W136 PolarHBondContact O-N 2.81Å; T133-D137 WeakPolarHBondContact O-CB 3.48Å; T133-D137 PolarHBondContact O-N 2.82Å; T133-L237 HydrophobicContact CG2-CD2 4.41Å
134	S	88.6	Confident	91.4	Very high	70 Å²	70	45.9 Å²	45.9	49%	0.49	25%	0.253	S	S	.	.	H	α-helix	trans	-61.2	-41.1	178.4	178.1	0	0	0	0	112.6	E131 Q138	E131-S134 PolarHBondContact O-N 3.36Å; S134-Q138 WeakPolarHBondContact O-CB 3.43Å; S134-Q138 VanDerWaalsContact O-CG 3.28Å; S134-Q138 WeakPolarHBondContact O-CG 3.1Å; S134-Q138 PolarHBondContact O-N 3.41Å; S134-Q138 PolarHBondContact O-NE2 2.8Å; S134-Q138 PolarHBondContact OG-NE2 3.46Å; S134-Q138 VanDerWaalsContact OG-NE2 3.09Å
135	F	94.4	Very high	91.3	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-50.1	175.1	162.7	-107.2	0	0	0	111.9	P123 F125 E131 F132 T133 Q138 F139 L158 A161 L162	P123-F135 HydrophobicContact CB-CD2 4.05Å; P123-F135 HydrophobicContact CG-CD2 3.9Å; P123-F135 HydrophobicContact CG-CE2 4.19Å; F125-F135 HydrophobicContact CB-CB 4.2Å; F125-F135 HydrophobicContact CB-CD1 3.65Å; F125-F135 HydrophobicContact CB-CD2 3.51Å; F125-F135 HydrophobicContact CB-CE1 3.82Å; F125-F135 HydrophobicContact CB-CE2 3.68Å; F125-F135 HydrophobicContact CB-CG 3.48Å; F125-F135 VanDerWaalsContact CB-CG 3.48Å; F125-F135 HydrophobicContact CB-CZ 3.83Å; F125-F135 AromaticContact CD1-CD1 3.98Å; F125-F135 HydrophobicContact CD1-CD1 3.98Å; F125-F135 HydrophobicContact CD1-CE1 4.03Å; F125-F135 HydrophobicContact CD2-CB 4.02Å; F125-F135 HydrophobicContact CD2-CD1 4.1Å; F125-F135 HydrophobicContact CD2-CG 4.07Å; F125-F135 HydrophobicContact CG-CB 4.29Å; F125-F135 AromaticContact CG-CD1 3.65Å; F125-F135 HydrophobicContact CG-CD1 3.65Å; F125-F135 HydrophobicContact CG-CD2 4.36Å; F125-F135 HydrophobicContact CG-CE1 4.02Å; F125-F135 AromaticContact CG-CG 3.82Å; F125-F135 HydrophobicContact CG-CG 3.82Å; E131-F135 WeakPolarHBondContact O-CB 3.45Å; E131-F135 PolarHBondContact O-N 3.41Å; F132-F135 PolarHBondContact O-N 3.17Å; T133-F135 VanDerWaalsContact C-N 3.34Å; T133-F135 PolarHBondContact O-N 2.9Å; F135-Q138 PolarHBondContact O-N 3.47Å; F135-F139 HydrophobicContact CE2-CB 4.28Å; F135-F139 HydrophobicContact CE2-CD2 4.48Å; F135-F139 HydrophobicContact CZ-CB 4.32Å; F135-F139 HydrophobicContact CZ-CD2 4.47Å; F135-F139 HydrophobicContact CZ-CG 4.4Å; F135-F139 WeakPolarHBondContact O-CB 3.33Å; F135-F139 PolarHBondContact O-N 2.92Å; F135-L158 HydrophobicContact CZ-CD1 4.03Å; F135-A161 HydrophobicContact CE2-CB 3.99Å; F135-A161 HydrophobicContact CZ-CB 4.35Å; F135-L162 HydrophobicContact CE1-CD2 4.19Å; F135-L162 HydrophobicContact CZ-CD2 3.92Å
136	W	94.5	Very high	90.9	Very high	13 Å²	13	48.3 Å²	48.3	5%	0.049	27%	0.269	C	S	.	.	H	α-helix	trans	-65.7	-44.4	-174.6	-177.1	-95.9	0	0	0	110.9	F132 T133 Q138 F139 E140 H144 V184	F132-W136 HydrophobicContact CD1-CB 4.5Å; F132-W136 HydrophobicContact CE1-CB 4.06Å; F132-W136 HydrophobicContact CE1-CG 4.41Å; F132-W136 HydrophobicContact CZ-CB 4.21Å; F132-W136 HydrophobicContact CZ-CG 4.41Å; F132-W136 WeakPolarHBondContact O-CB 3.32Å; F132-W136 PolarHBondContact O-N 2.98Å; T133-W136 PolarHBondContact O-N 2.81Å; W136-Q138 VanDerWaalsContact C-N 3.34Å; W136-Q138 PolarHBondContact O-N 3.33Å; W136-F139 HydrophobicContact CZ3-CD1 4.2Å; W136-F139 CarbonylContact O-C 3.59Å; W136-F139 PolarHBondContact O-N 3.14Å; W136-E140 PolarHBondContact NE1-OE2 3.1Å; W136-E140 WeakPolarHBondContact O-CB 3.42Å; W136-E140 PolarHBondContact O-N 3.09Å; W136-H144 AromaticContact CZ2-CD2 3.91Å; W136-V184 HydrophobicContact CH2-CB 4.19Å; W136-V184 HydrophobicContact CH2-CG1 3.38Å; W136-V184 HydrophobicContact CH2-CG2 3.8Å; W136-V184 HydrophobicContact CZ2-CG1 3.96Å; W136-V184 HydrophobicContact CZ3-CG1 4.09Å; W136-V184 HydrophobicContact CZ3-CG2 4.27Å
137	D	89.6	Confident	90.6	Very high	91 Å²	91	55 Å²	55	49%	0.487	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-42.5	179	-65.1	-13.4	0	0	0	111.7	T133 E140 A141	T133-D137 WeakPolarHBondContact O-CB 3.48Å; T133-D137 PolarHBondContact O-N 2.82Å; D137-E140 PolarHBondContact O-N 3.11Å; D137-A141 WeakPolarHBondContact O-CB 3.19Å; D137-A141 PolarHBondContact O-N 2.87Å
138	Q	90.9	Very high	90.4	Very high	69 Å²	69	60.2 Å²	60.2	32%	0.322	32%	0.316	S	S	.	.	H	α-helix	trans	-66.9	-42.7	175.7	-73.8	179.1	67.1	0	0	112.1	P123 S134 F135 W136 E140 S142	P123-Q138 HydrophobicContact CB-CB 4.29Å; P123-Q138 HydrophobicContact CG-CB 3.78Å; S134-Q138 WeakPolarHBondContact O-CB 3.43Å; S134-Q138 VanDerWaalsContact O-CG 3.28Å; S134-Q138 WeakPolarHBondContact O-CG 3.1Å; S134-Q138 PolarHBondContact O-N 3.41Å; S134-Q138 PolarHBondContact O-NE2 2.8Å; S134-Q138 PolarHBondContact OG-NE2 3.46Å; S134-Q138 VanDerWaalsContact OG-NE2 3.09Å; F135-Q138 PolarHBondContact O-N 3.47Å; W136-Q138 VanDerWaalsContact C-N 3.34Å; W136-Q138 PolarHBondContact O-N 3.33Å; Q138-E140 VanDerWaalsContact C-N 3.28Å; Q138-E140 PolarHBondContact O-N 2.89Å; Q138-S142 VanDerWaalsContact O-CB 3.27Å; Q138-S142 WeakPolarHBondContact O-CB 3.28Å; Q138-S142 PolarHBondContact O-N 2.82Å; Q138-S142 PolarHBondContact O-OG 3.08Å
139	F	94	Very high	90.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.7	-34.1	176.4	-172.2	-92.7	0	0	0	111.4	L122 F135 W136 V143 H144 L158 A161	L122-F139 HydrophobicContact CD2-CD2 4.1Å; L122-F139 HydrophobicContact CD2-CE2 4.06Å; F135-F139 HydrophobicContact CE2-CB 4.28Å; F135-F139 HydrophobicContact CE2-CD2 4.48Å; F135-F139 HydrophobicContact CZ-CB 4.32Å; F135-F139 HydrophobicContact CZ-CD2 4.47Å; F135-F139 HydrophobicContact CZ-CG 4.4Å; F135-F139 WeakPolarHBondContact O-CB 3.33Å; F135-F139 PolarHBondContact O-N 2.92Å; W136-F139 HydrophobicContact CZ3-CD1 4.2Å; W136-F139 CarbonylContact O-C 3.59Å; W136-F139 PolarHBondContact O-N 3.14Å; F139-V143 HydrophobicContact CD2-CB 4.43Å; F139-V143 HydrophobicContact CD2-CG2 4.38Å; F139-V143 HydrophobicContact CE1-CB 4.06Å; F139-V143 HydrophobicContact CE1-CG1 4.15Å; F139-V143 HydrophobicContact CE2-CB 3.97Å; F139-V143 HydrophobicContact CE2-CG1 4.23Å; F139-V143 HydrophobicContact CE2-CG2 3.96Å; F139-V143 HydrophobicContact CZ-CB 3.75Å; F139-V143 HydrophobicContact CZ-CG1 3.66Å; F139-V143 HydrophobicContact CZ-CG2 4.22Å; F139-V143 WeakPolarHBondContact O-CA 3.47Å; F139-V143 PolarHBondContact O-N 3.02Å; F139-H144 PolarHBondContact O-N 3.31Å; F139-L158 HydrophobicContact CD1-CD1 4.12Å; F139-L158 HydrophobicContact CD2-CD1 4.38Å; F139-L158 HydrophobicContact CE1-CB 4.07Å; F139-L158 HydrophobicContact CE1-CD1 3.81Å; F139-L158 HydrophobicContact CE1-CG 4.37Å; F139-L158 HydrophobicContact CE2-CB 4.09Å; F139-L158 HydrophobicContact CE2-CD1 4.09Å; F139-L158 HydrophobicContact CG-CD1 4.41Å; F139-L158 VanDerWaalsContact CZ-CA 3.46Å; F139-L158 HydrophobicContact CZ-CB 3.49Å; F139-L158 VanDerWaalsContact CZ-CB 3.49Å; F139-L158 HydrophobicContact CZ-CD1 3.82Å; F139-L158 HydrophobicContact CZ-CG 4.19Å; F139-A161 HydrophobicContact CD2-CB 4.43Å; F139-A161 HydrophobicContact CE2-CB 4.47Å
140	E	93.2	Very high	90.1	Very high	62 Å²	62	59.1 Å²	59.1	29%	0.29	31%	0.314	S	S	.	.	I	π-helix	trans	-66.7	-50.6	179.6	178.6	155.3	-147.6	0	0	111	W136 D137 Q138 S142 H144 S145	W136-E140 PolarHBondContact NE1-OE2 3.1Å; W136-E140 WeakPolarHBondContact O-CB 3.42Å; W136-E140 PolarHBondContact O-N 3.09Å; D137-E140 PolarHBondContact O-N 3.11Å; Q138-E140 VanDerWaalsContact C-N 3.28Å; Q138-E140 PolarHBondContact O-N 2.89Å; E140-S142 PolarHBondContact O-N 2.83Å; E140-H144 HydrophobicContact CB-CB 4.15Å; E140-H144 HydrophobicContact CG-CB 4.13Å; E140-H144 PolarHBondContact O-N 2.89Å; E140-H144 IonicContact OE1-CD2 2.97Å; E140-H144 PolarHBondContact OE1-CD2 2.81Å; E140-S145 WeakPolarHBondContact O-CB 3.39Å; E140-S145 PolarHBondContact O-N 3.41Å; E140-S145 PolarHBondContact O-OG 2.97Å
141	A	86.5	Confident	90.1	Very high	63 Å²	63	58.6 Å²	58.6	52%	0.521	31%	0.312	S	S	.	.	I	π-helix	trans	-63.5	-40.1	175.9	0	0	0	0	0	113.2	W120 D137	W120-A141 HydrophobicContact CH2-CB 4.37Å; D137-A141 WeakPolarHBondContact O-CB 3.19Å; D137-A141 PolarHBondContact O-N 2.87Å
142	S	85.9	Confident	89.9	Confident	25 Å²	25	55.2 Å²	55.2	18%	0.175	30%	0.297	C	S	.	.	I	π-helix	trans	-83.8	-27.2	-175	59.4	0	0	0	0	114.4	Q138 E140 R146	Q138-S142 VanDerWaalsContact O-CB 3.27Å; Q138-S142 WeakPolarHBondContact O-CB 3.28Å; Q138-S142 PolarHBondContact O-N 2.82Å; Q138-S142 PolarHBondContact O-OG 3.08Å; E140-S142 PolarHBondContact O-N 2.83Å; S142-R146 WeakPolarHBondContact O-CD 3.24Å
143	V	91.3	Very high	89.6	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.03	31%	0.308	C	S	.	.	I	π-helix	trans	-138	-53.3	-172.7	-177.8	0	0	0	0	113.6	L122 F139 S145 R146 L149 K154 Y157	L122-V143 HydrophobicContact CD2-CG2 3.62Å; F139-V143 HydrophobicContact CD2-CB 4.43Å; F139-V143 HydrophobicContact CD2-CG2 4.38Å; F139-V143 HydrophobicContact CE1-CB 4.06Å; F139-V143 HydrophobicContact CE1-CG1 4.15Å; F139-V143 HydrophobicContact CE2-CB 3.97Å; F139-V143 HydrophobicContact CE2-CG1 4.23Å; F139-V143 HydrophobicContact CE2-CG2 3.96Å; F139-V143 HydrophobicContact CZ-CB 3.75Å; F139-V143 HydrophobicContact CZ-CG1 3.66Å; F139-V143 HydrophobicContact CZ-CG2 4.22Å; F139-V143 WeakPolarHBondContact O-CA 3.47Å; F139-V143 PolarHBondContact O-N 3.02Å; V143-S145 PolarHBondContact O-N 2.78Å; V143-R146 WeakPolarHBondContact O-CB 3.44Å; V143-R146 PolarHBondContact O-N 2.8Å; V143-L149 HydrophobicContact CG1-CD1 4.05Å; V143-K154 HydrophobicContact CG1-CB 4.03Å; V143-K154 HydrophobicContact CG1-CG 3.96Å; V143-Y157 HydrophobicContact CG1-CD2 4.13Å; V143-Y157 HydrophobicContact CG1-CG 4.39Å; V143-Y157 HydrophobicContact CG2-CG 4.34Å
144	H	93.9	Very high	89.9	Confident	49 Å²	49	55.8 Å²	55.8	23%	0.227	30%	0.3	C	S	.	.	I	π-helix	trans	-59.9	-44.1	-170.2	-171.6	57.8	0	0	0	112.8	W136 F139 E140 R146 K154 Y180	W136-H144 AromaticContact CZ2-CD2 3.91Å; F139-H144 PolarHBondContact O-N 3.31Å; E140-H144 HydrophobicContact CB-CB 4.15Å; E140-H144 HydrophobicContact CG-CB 4.13Å; E140-H144 PolarHBondContact O-N 2.89Å; E140-H144 IonicContact OE1-CD2 2.97Å; E140-H144 PolarHBondContact OE1-CD2 2.81Å; H144-R146 VanDerWaalsContact C-N 3.29Å; H144-R146 PolarHBondContact O-N 2.79Å; H144-K154 VanDerWaalsContact O-CE 3.3Å; H144-K154 WeakPolarHBondContact O-CE 3.27Å; H144-K154 PolarHBondContact O-NZ 2.91Å; H144-Y180 AromaticContact ND1-CE1 3.57Å; H144-Y180 AromaticContact ND1-CZ 3.53Å; H144-Y180 PolarHBondContact ND1-OH 2.85Å
145	S	91.6	Very high	90	Very high	72 Å²	72	52.5 Å²	52.5	50%	0.503	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-9.9	-175.6	-60.4	0	0	0	0	114	E140 V143 Q147	E140-S145 WeakPolarHBondContact O-CB 3.39Å; E140-S145 PolarHBondContact O-N 3.41Å; E140-S145 PolarHBondContact O-OG 2.97Å; V143-S145 PolarHBondContact O-N 2.78Å; S145-Q147 PolarHBondContact O-N 3.23Å
146	R	88.2	Confident	89.7	Confident	113 Å²	113	54.8 Å²	54.8	43%	0.426	29%	0.291	S	S	.	.			trans	-73.8	105.8	178.8	-65.7	-170.5	68.4	171.3	2.8	109.9	S142 V143 H144 E148 L149 K154	S142-R146 WeakPolarHBondContact O-CD 3.24Å; V143-R146 WeakPolarHBondContact O-CB 3.44Å; V143-R146 PolarHBondContact O-N 2.8Å; H144-R146 VanDerWaalsContact C-N 3.29Å; H144-R146 PolarHBondContact O-N 2.79Å; R146-E148 VanDerWaalsContact C-N 3.28Å; R146-E148 VanDerWaalsContact CA-OE2 3.27Å; R146-E148 WeakPolarHBondContact CA-OE2 3.39Å; R146-E148 WeakPolarHBondContact CB-OE2 3.41Å; R146-E148 IonicContact CZ-OE1 2.67Å; R146-E148 IonicContact NE-OE1 2.68Å; R146-E148 PolarHBondContact NE-OE1 3.35Å; R146-E148 IonicContact NH2-OE1 3.45Å; R146-E148 PolarHBondContact NH2-OE1 3.2Å; R146-E148 PolarHBondContact O-N 2.9Å; R146-L149 HydrophobicContact CB-CB 4.4Å; R146-L149 HydrophobicContact CB-CD1 3.87Å; R146-L149 HydrophobicContact CB-CG 3.9Å; R146-L149 HydrophobicContact CG-CD1 4.47Å; R146-L149 PolarHBondContact O-N 2.84Å; R146-K154 WeakPolarHBondContact O-CE 3.26Å; R146-K154 PolarHBondContact O-NZ 2.69Å; R146-K154 VanDerWaalsContact O-NZ 3.13Å
147	Q	86.2	Confident	89.6	Confident	188 Å²	188	58.9 Å²	58.9	88%	0.879	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-20.2	-178.2	-64.8	-152.4	-7.1	0	0	113.3	S145 L149	S145-Q147 PolarHBondContact O-N 3.23Å; Q147-L149 PolarHBondContact O-N 2.91Å
148	E	86.6	Confident	89.8	Confident	124 Å²	124	54.6 Å²	54.6	58%	0.579	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.2	174.2	70.4	-86.1	-149.5	0	0	113.3	R146	R146-E148 VanDerWaalsContact C-N 3.28Å; R146-E148 VanDerWaalsContact CA-OE2 3.27Å; R146-E148 WeakPolarHBondContact CA-OE2 3.39Å; R146-E148 WeakPolarHBondContact CB-OE2 3.41Å; R146-E148 IonicContact CZ-OE1 2.67Å; R146-E148 IonicContact NE-OE1 2.68Å; R146-E148 PolarHBondContact NE-OE1 3.35Å; R146-E148 IonicContact NH2-OE1 3.45Å; R146-E148 PolarHBondContact NH2-OE1 3.2Å; R146-E148 PolarHBondContact O-N 2.9Å
149	L	87.1	Confident	89.8	Confident	33 Å²	33	53.3 Å²	53.3	17%	0.173	28%	0.28	C	S	.	.	S	Bend	trans	-90.1	125.6	176.3	-61.9	-177.5	0	0	0	109.7	V143 R146 Q147 T153 K154 Y157	V143-L149 HydrophobicContact CG1-CD1 4.05Å; R146-L149 HydrophobicContact CB-CB 4.4Å; R146-L149 HydrophobicContact CB-CD1 3.87Å; R146-L149 HydrophobicContact CB-CG 3.9Å; R146-L149 HydrophobicContact CG-CD1 4.47Å; R146-L149 PolarHBondContact O-N 2.84Å; Q147-L149 PolarHBondContact O-N 2.91Å; L149-T153 HydrophobicContact CD2-CG2 4.17Å; L149-K154 HydrophobicContact CB-CG 3.89Å; L149-K154 VanDerWaalsContact O-CE 3.23Å; L149-K154 WeakPolarHBondContact O-CE 3.27Å; L149-Y157 HydrophobicContact CD1-CD2 4.47Å; L149-Y157 HydrophobicContact CD1-CE2 4.38Å
150	S	87.3	Confident	89.6	Confident	53 Å²	53	56 Å²	56	37%	0.371	30%	0.298	S	S	.	.			trans	-65.1	153.2	169.6	73	0	0	0	0	111.1	V152 T153 K154	S150-V152 VanDerWaalsContact C-N 3.25Å; S150-V152 PolarHBondContact O-N 3.41Å; S150-V152 WeakPolarHBondContact OG-CG1 3.47Å; S150-T153 WeakPolarHBondContact O-CA 3.46Å; S150-T153 VanDerWaalsContact O-CB 3.32Å; S150-T153 WeakPolarHBondContact O-CB 3.43Å; S150-T153 PolarHBondContact O-N 2.81Å; S150-T153 PolarHBondContact OG-N 3.2Å; S150-T153 PolarHBondContact OG-OG1 2.66Å; S150-K154 WeakPolarHBondContact O-CG 3.24Å; S150-K154 PolarHBondContact O-N 3.02Å
151	D	91.4	Very high	89.5	Confident	56 Å²	56	53 Å²	53	30%	0.299	29%	0.285	S	S	.	.	H	α-helix	trans	-58.3	-36.3	-179	-87.6	-0.1	0	0	0	112.8	T153 K154 L155 N177 Y180	D151-T153 VanDerWaalsContact C-N 3.32Å; D151-T153 PolarHBondContact O-N 3.02Å; D151-K154 PolarHBondContact O-N 3.36Å; D151-L155 WeakPolarHBondContact O-CB 3.35Å; D151-L155 PolarHBondContact O-N 3.5Å; D151-N177 HydrophobicContact CB-CB 4.17Å; D151-N177 PolarHBondContact N-OD1 3.33Å; D151-Y180 HydrophobicContact CB-CD1 4.02Å; D151-Y180 HydrophobicContact CB-CG 4.23Å; D151-Y180 VanDerWaalsContact O-CB 3.27Å; D151-Y180 WeakPolarHBondContact O-CB 3.47Å; D151-Y180 WeakPolarHBondContact OD1-CD1 3.34Å
152	V	86.4	Confident	90	Very high	16 Å²	16	50.3 Å²	50.3	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-39.6	175	75.9	0	0	0	0	111.2	S150 L155 V156 V175 N177	S150-V152 VanDerWaalsContact C-N 3.25Å; S150-V152 PolarHBondContact O-N 3.41Å; S150-V152 WeakPolarHBondContact OG-CG1 3.47Å; V152-L155 WeakPolarHBondContact O-CB 3.37Å; V152-L155 PolarHBondContact O-N 2.68Å; V152-V156 WeakPolarHBondContact O-CG2 3.33Å; V152-V156 PolarHBondContact O-N 2.74Å; V152-V175 HydrophobicContact CG2-CG1 3.73Å; V152-V175 WeakPolarHBondContact CG2-O 3.35Å; V152-N177 WeakPolarHBondContact CB-OD1 3.39Å; V152-N177 PolarHBondContact N-OD1 3.25Å
153	T	86.4	Confident	90.3	Very high	44 Å²	44	51.9 Å²	51.9	27%	0.27	27%	0.27	S	S	.	.	H	α-helix	trans	-65.6	-43.5	175.1	-48.5	0	0	0	0	111	L149 S150 D151 L155 V156 Y157	L149-T153 HydrophobicContact CD2-CG2 4.17Å; S150-T153 WeakPolarHBondContact O-CA 3.46Å; S150-T153 VanDerWaalsContact O-CB 3.32Å; S150-T153 WeakPolarHBondContact O-CB 3.43Å; S150-T153 PolarHBondContact O-N 2.81Å; S150-T153 PolarHBondContact OG-N 3.2Å; S150-T153 PolarHBondContact OG-OG1 2.66Å; D151-T153 VanDerWaalsContact C-N 3.32Å; D151-T153 PolarHBondContact O-N 3.02Å; T153-L155 VanDerWaalsContact C-N 3.27Å; T153-L155 PolarHBondContact O-N 2.94Å; T153-V156 PolarHBondContact O-N 2.91Å; T153-Y157 HydrophobicContact CG2-CD2 4.06Å; T153-Y157 HydrophobicContact CG2-CE2 3.74Å; T153-Y157 VanDerWaalsContact O-CD2 3.29Å; T153-Y157 WeakPolarHBondContact O-CD2 3.33Å; T153-Y157 PolarHBondContact O-N 3.24Å; T153-Y157 VanDerWaalsContact O-N 3.12Å
154	K	93.7	Very high	90.3	Very high	20 Å²	20	53.8 Å²	53.8	9%	0.087	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-38.5	175.2	-64	179	179.1	173.9	0	111.6	V143 H144 R146 L149 S150 D151 Y157 L158 Y180	V143-K154 HydrophobicContact CG1-CB 4.03Å; V143-K154 HydrophobicContact CG1-CG 3.96Å; H144-K154 VanDerWaalsContact O-CE 3.3Å; H144-K154 WeakPolarHBondContact O-CE 3.27Å; H144-K154 PolarHBondContact O-NZ 2.91Å; R146-K154 WeakPolarHBondContact O-CE 3.26Å; R146-K154 PolarHBondContact O-NZ 2.69Å; R146-K154 VanDerWaalsContact O-NZ 3.13Å; L149-K154 HydrophobicContact CB-CG 3.89Å; L149-K154 VanDerWaalsContact O-CE 3.23Å; L149-K154 WeakPolarHBondContact O-CE 3.27Å; S150-K154 WeakPolarHBondContact O-CG 3.24Å; S150-K154 PolarHBondContact O-N 3.02Å; D151-K154 PolarHBondContact O-N 3.36Å; K154-Y157 PolarHBondContact O-N 3.42Å; K154-L158 WeakPolarHBondContact O-CB 3.47Å; K154-L158 PolarHBondContact O-N 2.61Å; K154-Y180 HydrophobicContact CB-CD1 4.17Å; K154-Y180 HydrophobicContact CB-CD2 3.87Å; K154-Y180 HydrophobicContact CB-CE1 3.8Å; K154-Y180 HydrophobicContact CB-CE2 3.45Å; K154-Y180 VanDerWaalsContact CB-CE2 3.45Å; K154-Y180 HydrophobicContact CB-CG 4.18Å; K154-Y180 HydrophobicContact CD-CD1 4.27Å; K154-Y180 HydrophobicContact CD-CE1 3.6Å; K154-Y180 HydrophobicContact CG-CE1 4.35Å
155	L	91.9	Very high	90.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.2	-41.4	176.4	-178.2	53.2	0	0	0	112.6	D151 V152 T153 Y157 L158 L159 V175 N179 Y180 V183	D151-L155 WeakPolarHBondContact O-CB 3.35Å; D151-L155 PolarHBondContact O-N 3.5Å; V152-L155 WeakPolarHBondContact O-CB 3.37Å; V152-L155 PolarHBondContact O-N 2.68Å; T153-L155 VanDerWaalsContact C-N 3.27Å; T153-L155 PolarHBondContact O-N 2.94Å; L155-Y157 PolarHBondContact O-N 2.59Å; L155-L158 PolarHBondContact O-N 3.03Å; L155-L159 HydrophobicContact CD1-CD1 4.21Å; L155-L159 HydrophobicContact CD1-CD2 4.49Å; L155-L159 HydrophobicContact CD1-CG 4.01Å; L155-L159 HydrophobicContact CG-CD1 4.23Å; L155-L159 HydrophobicContact CG-CG 4.46Å; L155-L159 WeakPolarHBondContact O-CG 3.48Å; L155-L159 PolarHBondContact O-N 2.83Å; L155-V175 HydrophobicContact CD2-CG1 4.34Å; L155-V175 HydrophobicContact CG-CG1 4.35Å; L155-N179 HydrophobicContact CD2-CB 4.03Å; L155-Y180 HydrophobicContact CB-CD2 3.76Å; L155-Y180 HydrophobicContact CB-CG 4.32Å; L155-Y180 HydrophobicContact CD1-CD2 4.37Å; L155-V183 HydrophobicContact CD1-CB 3.77Å; L155-V183 HydrophobicContact CD1-CG1 3.67Å; L155-V183 HydrophobicContact CD1-CG2 3.74Å
156	V	87.3	Confident	90.1	Very high	55 Å²	55	52.7 Å²	52.7	33%	0.333	28%	0.281	S	S	.	.	H	α-helix	trans	-59.3	-48	174.7	173.4	0	0	0	0	110.8	V152 T153 L158 L159 S160 V175	V152-V156 WeakPolarHBondContact O-CG2 3.33Å; V152-V156 PolarHBondContact O-N 2.74Å; T153-V156 PolarHBondContact O-N 2.91Å; V156-L158 VanDerWaalsContact C-N 3.34Å; V156-L158 PolarHBondContact O-N 2.99Å; V156-L159 PolarHBondContact O-N 2.81Å; V156-S160 WeakPolarHBondContact O-CB 3.47Å; V156-S160 PolarHBondContact O-N 3.13Å; V156-V175 HydrophobicContact CG2-CG1 3.48Å; V156-V175 VanDerWaalsContact CG2-CG1 3.48Å
157	Y	92	Very high	90.3	Very high	99 Å²	99	50.9 Å²	50.9	39%	0.388	28%	0.279	S	S	.	.	H	α-helix	trans	-61.2	-43.4	176.7	-77.9	-59	0	0	0	111.9	L122 V143 L149 T153 K154 L155 S160 A161	L122-Y157 HydrophobicContact CD1-CD1 3.56Å; L122-Y157 HydrophobicContact CD1-CE1 4.05Å; L122-Y157 HydrophobicContact CD1-CG 4.48Å; V143-Y157 HydrophobicContact CG1-CD2 4.13Å; V143-Y157 HydrophobicContact CG1-CG 4.39Å; V143-Y157 HydrophobicContact CG2-CG 4.34Å; L149-Y157 HydrophobicContact CD1-CD2 4.47Å; L149-Y157 HydrophobicContact CD1-CE2 4.38Å; T153-Y157 HydrophobicContact CG2-CD2 4.06Å; T153-Y157 HydrophobicContact CG2-CE2 3.74Å; T153-Y157 VanDerWaalsContact O-CD2 3.29Å; T153-Y157 WeakPolarHBondContact O-CD2 3.33Å; T153-Y157 PolarHBondContact O-N 3.24Å; T153-Y157 VanDerWaalsContact O-N 3.12Å; K154-Y157 PolarHBondContact O-N 3.42Å; L155-Y157 PolarHBondContact O-N 2.59Å; Y157-S160 PolarHBondContact O-N 3.23Å; Y157-S160 PolarHBondContact O-OG 3.28Å; Y157-A161 PolarHBondContact O-N 2.91Å; Y157-A161 VanDerWaalsContact O-N 3.11Å
158	L	93.9	Very high	90.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-53.2	177.5	-175.5	53.8	0	0	0	110.8	F135 F139 K154 L155 V156 S160 A161 L162 Y180 V183 V184 L187	F135-L158 HydrophobicContact CZ-CD1 4.03Å; F139-L158 HydrophobicContact CD1-CD1 4.12Å; F139-L158 HydrophobicContact CD2-CD1 4.38Å; F139-L158 HydrophobicContact CE1-CB 4.07Å; F139-L158 HydrophobicContact CE1-CD1 3.81Å; F139-L158 HydrophobicContact CE1-CG 4.37Å; F139-L158 HydrophobicContact CE2-CB 4.09Å; F139-L158 HydrophobicContact CE2-CD1 4.09Å; F139-L158 HydrophobicContact CG-CD1 4.41Å; F139-L158 VanDerWaalsContact CZ-CA 3.46Å; F139-L158 HydrophobicContact CZ-CB 3.49Å; F139-L158 VanDerWaalsContact CZ-CB 3.49Å; F139-L158 HydrophobicContact CZ-CD1 3.82Å; F139-L158 HydrophobicContact CZ-CG 4.19Å; K154-L158 WeakPolarHBondContact O-CB 3.47Å; K154-L158 PolarHBondContact O-N 2.61Å; L155-L158 PolarHBondContact O-N 3.03Å; V156-L158 VanDerWaalsContact C-N 3.34Å; V156-L158 PolarHBondContact O-N 2.99Å; L158-S160 PolarHBondContact O-N 2.87Å; L158-A161 WeakPolarHBondContact O-CA 3.3Å; L158-A161 WeakPolarHBondContact O-CB 3.47Å; L158-A161 PolarHBondContact O-N 2.88Å; L158-L162 HydrophobicContact CD1-CD2 4.33Å; L158-L162 HydrophobicContact CD1-CG 4.5Å; L158-L162 WeakPolarHBondContact O-CG 3.18Å; L158-L162 PolarHBondContact O-N 2.93Å; L158-Y180 HydrophobicContact CB-CE2 4.44Å; L158-Y180 HydrophobicContact CD2-CD2 4.35Å; L158-Y180 HydrophobicContact CD2-CE2 3.92Å; L158-V183 HydrophobicContact CD2-CG1 3.78Å; L158-V184 HydrophobicContact CD2-CG2 3.89Å; L158-L187 HydrophobicContact CD1-CD1 3.79Å; L158-L187 HydrophobicContact CD2-CD1 3.81Å; L158-L187 HydrophobicContact CG-CD1 4Å
159	L	90.3	Very high	90.4	Very high	43 Å²	43	43.3 Å²	43.3	23%	0.225	24%	0.244	C	C	.	.	H	α-helix	trans	-59.5	-35.9	179	-68.8	176	0	0	0	112.4	L155 V156 A161 L162 L167 V170 V175	L155-L159 HydrophobicContact CD1-CD1 4.21Å; L155-L159 HydrophobicContact CD1-CD2 4.49Å; L155-L159 HydrophobicContact CD1-CG 4.01Å; L155-L159 HydrophobicContact CG-CD1 4.23Å; L155-L159 HydrophobicContact CG-CG 4.46Å; L155-L159 WeakPolarHBondContact O-CG 3.48Å; L155-L159 PolarHBondContact O-N 2.83Å; V156-L159 PolarHBondContact O-N 2.81Å; L159-A161 PolarHBondContact O-N 2.94Å; L159-L162 HydrophobicContact CD2-CD1 4.48Å; L159-L162 PolarHBondContact O-N 2.92Å; L159-L167 HydrophobicContact CD2-CD1 4.37Å; L159-V170 HydrophobicContact CD2-CG2 3.67Å; L159-V175 HydrophobicContact CD1-CG2 3.74Å
160	S	89.7	Confident	90.5	Very high	56 Å²	56	41.8 Å²	41.8	39%	0.392	24%	0.237	S	C	.	.	H	α-helix	trans	-67.1	-25.4	175.6	84.5	0	0	0	0	113.3	K124 V156 Y157 L158	K124-S160 PolarHBondContact NZ-O 3.33Å; V156-S160 WeakPolarHBondContact O-CB 3.47Å; V156-S160 PolarHBondContact O-N 3.13Å; Y157-S160 PolarHBondContact O-N 3.23Å; Y157-S160 PolarHBondContact O-OG 3.28Å; L158-S160 PolarHBondContact O-N 2.87Å
161	A	93	Very high	90.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-85.7	-22.3	-180	0	0	0	0	0	113	P123 K124 F125 F135 F139 Y157 L158 L159	P123-A161 VanDerWaalsContact O-CB 3.31Å; P123-A161 WeakPolarHBondContact O-CB 3.47Å; K124-A161 CarbonylContact C-O 3.59Å; K124-A161 VanDerWaalsContact CA-O 3.29Å; K124-A161 WeakPolarHBondContact CA-O 3.42Å; F125-A161 PolarHBondContact N-O 2.96Å; F135-A161 HydrophobicContact CE2-CB 3.99Å; F135-A161 HydrophobicContact CZ-CB 4.35Å; F139-A161 HydrophobicContact CD2-CB 4.43Å; F139-A161 HydrophobicContact CE2-CB 4.47Å; Y157-A161 PolarHBondContact O-N 2.91Å; Y157-A161 VanDerWaalsContact O-N 3.11Å; L158-A161 WeakPolarHBondContact O-CA 3.3Å; L158-A161 WeakPolarHBondContact O-CB 3.47Å; L158-A161 PolarHBondContact O-N 2.88Å; L159-A161 PolarHBondContact O-N 2.94Å
162	L	95.8	Very high	89.8	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.026	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-82.8	144.5	-178.7	-57.8	178.4	0	0	0	113	F125 F135 L158 L159 A166 L167 V170 L187	F125-L162 HydrophobicContact CB-CD2 4.27Å; F125-L162 HydrophobicContact CD1-CD2 3.97Å; F125-L162 CarbonylContact O-C 3.55Å; F135-L162 HydrophobicContact CE1-CD2 4.19Å; F135-L162 HydrophobicContact CZ-CD2 3.92Å; L158-L162 HydrophobicContact CD1-CD2 4.33Å; L158-L162 HydrophobicContact CD1-CG 4.5Å; L158-L162 WeakPolarHBondContact O-CG 3.18Å; L158-L162 PolarHBondContact O-N 2.93Å; L159-L162 HydrophobicContact CD2-CD1 4.48Å; L159-L162 PolarHBondContact O-N 2.92Å; L162-A166 HydrophobicContact CB-CB 4.47Å; L162-A166 HydrophobicContact CD2-CB 4.02Å; L162-L167 HydrophobicContact CB-CB 3.99Å; L162-L167 HydrophobicContact CB-CD1 4.17Å; L162-V170 HydrophobicContact CD1-CG2 3.6Å; L162-L187 HydrophobicContact CD1-CD1 3.92Å; L162-L187 HydrophobicContact CD1-CD2 4.03Å; L162-L187 HydrophobicContact CD2-CD1 4.05Å; L162-L187 HydrophobicContact CD2-CD2 4.2Å
163	T	91.9	Very high	89.7	Confident	58 Å²	58	49.8 Å²	49.8	36%	0.356	29%	0.285	S	S	.	.			trans	-141.6	170.6	174	62.6	0	0	0	0	110	K124 F125 S126 N165 A166 L167	K124-T163 HydrophobicContact CD-CG2 4.48Å; F125-T163 PolarHBondContact O-N 2.75Å; F125-T163 PolarHBondContact O-OG1 3.43Å; F125-T163 VanDerWaalsContact O-OG1 3.05Å; S126-T163 CarbonylContact C-O 3.41Å; S126-T163 WeakPolarHBondContact CA-O 3.35Å; S126-T163 WeakPolarHBondContact CA-OG1 3.31Å; T163-N165 PolarHBondContact O-N 3.27Å; T163-A166 PolarHBondContact O-N 2.67Å; T163-L167 PolarHBondContact O-N 3.42Å
164	G	91.7	Very high	89.4	Confident	46 Å²	46	48.7 Å²	48.7	47%	0.474	28%	0.279	S	S	.	.	H	α-helix	trans	57.6	-132.8	171.6	0	0	0	0	0	114.5	A166 K168	G164-A166 VanDerWaalsContact C-N 3.28Å; G164-A166 PolarHBondContact O-N 3.12Å; G164-K168 PolarHBondContact O-N 2.83Å
165	N	89.1	Confident	89	Confident	97 Å²	97	49.2 Å²	49.2	52%	0.519	28%	0.283	S	S	.	.	H	α-helix	trans	-71	-24.3	-178	-77.5	-17.5	0	0	0	112.7	S126 T163 A169	S126-N165 PolarHBondContact O-N 3.21Å; T163-N165 PolarHBondContact O-N 3.27Å; N165-A169 WeakPolarHBondContact O-CB 3.4Å; N165-A169 PolarHBondContact O-N 3.4Å; N165-A169 VanDerWaalsContact O-N 3.12Å
166	A	92.9	Very high	88.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-70.3	-44.1	176.8	0	0	0	0	0	111.9	F125 S126 L162 T163 G164 K168 A169 L187 F191	F125-A166 HydrophobicContact CD1-CB 3.41Å; F125-A166 VanDerWaalsContact CD1-CB 3.41Å; F125-A166 HydrophobicContact CE1-CB 3.59Å; F125-A166 HydrophobicContact CG-CB 4.42Å; S126-A166 PolarHBondContact O-N 3.15Å; L162-A166 HydrophobicContact CB-CB 4.47Å; L162-A166 HydrophobicContact CD2-CB 4.02Å; T163-A166 PolarHBondContact O-N 2.67Å; G164-A166 VanDerWaalsContact C-N 3.28Å; G164-A166 PolarHBondContact O-N 3.12Å; A166-K168 PolarHBondContact O-N 2.98Å; A166-A169 WeakPolarHBondContact O-CB 3.49Å; A166-A169 PolarHBondContact O-N 3.08Å; A166-L187 HydrophobicContact CB-CD2 4.43Å; A166-F191 HydrophobicContact CB-CE2 4.09Å; A166-F191 HydrophobicContact CB-CZ 4.24Å
167	L	92.1	Very high	88.4	Confident	76 Å²	76	52.8 Å²	52.8	40%	0.398	30%	0.303	S	S	.	.	H	α-helix	trans	-64.1	-42.2	176.2	-176.9	62.5	0	0	0	111.5	L159 L162 T163 A169 V170 E171	L159-L167 HydrophobicContact CD2-CD1 4.37Å; L162-L167 HydrophobicContact CB-CB 3.99Å; L162-L167 HydrophobicContact CB-CD1 4.17Å; T163-L167 PolarHBondContact O-N 3.42Å; L167-A169 PolarHBondContact O-N 3.35Å; L167-V170 WeakPolarHBondContact O-CG2 3.18Å; L167-V170 PolarHBondContact O-N 2.84Å; L167-E171 PolarHBondContact O-N 2.76Å
168	K	88.3	Confident	88	Confident	136 Å²	136	51.6 Å²	51.6	59%	0.591	31%	0.313	S	S	*	.	H	α-helix	trans	-61.7	-29.4	174.9	-73.4	-177.5	178.6	-178.7	0	113.5	G164 A166 V170 E171	G164-K168 PolarHBondContact O-N 2.83Å; A166-K168 PolarHBondContact O-N 2.98Å; K168-V170 PolarHBondContact O-N 3.37Å; K168-E171 WeakPolarHBondContact O-CB 3.29Å; K168-E171 PolarHBondContact O-N 2.84Å
169	A	86.3	Confident	87.9	Confident	16 Å²	16	52.7 Å²	52.7	13%	0.132	32%	0.319	C	S	.	.	H	α-helix	trans	-68.3	-25.4	-178.1	0	0	0	0	0	113.5	N165 A166 L167 R190 F191	N165-A169 WeakPolarHBondContact O-CB 3.4Å; N165-A169 PolarHBondContact O-N 3.4Å; N165-A169 VanDerWaalsContact O-N 3.12Å; A166-A169 WeakPolarHBondContact O-CB 3.49Å; A166-A169 PolarHBondContact O-N 3.08Å; L167-A169 PolarHBondContact O-N 3.35Å; A169-R190 VanDerWaalsContact CA-NH1 3.34Å; A169-F191 HydrophobicContact CB-CE2 3.84Å; A169-F191 HydrophobicContact CB-CZ 4.1Å
170	V	90.1	Very high	88.1	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.012	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	8.4	-177.1	-57.2	0	0	0	0	111.4	L159 L162 L167 K168 G172 F173 V183 V186 L187	L159-V170 HydrophobicContact CD2-CG2 3.67Å; L162-V170 HydrophobicContact CD1-CG2 3.6Å; L167-V170 WeakPolarHBondContact O-CG2 3.18Å; L167-V170 PolarHBondContact O-N 2.84Å; K168-V170 PolarHBondContact O-N 3.37Å; V170-G172 PolarHBondContact O-N 2.81Å; V170-F173 HydrophobicContact CB-CD2 4.21Å; V170-F173 WeakPolarHBondContact O-CD2 3.38Å; V170-F173 PolarHBondContact O-N 2.76Å; V170-V183 HydrophobicContact CB-CG1 4.03Å; V170-V183 HydrophobicContact CG1-CG1 3.8Å; V170-V183 HydrophobicContact CG2-CG1 4.44Å; V170-V186 HydrophobicContact CG1-CB 4.38Å; V170-V186 HydrophobicContact CG1-CG1 3.94Å; V170-L187 HydrophobicContact CG1-CD2 3.9Å; V170-L187 HydrophobicContact CG1-CG 3.92Å
171	E	82.4	Confident	88.2	Confident	156 Å²	156	51.5 Å²	51.5	73%	0.729	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	117.1	175.6	-169.3	169.6	-156.5	0	0	109.1	L167 K168	L167-E171 PolarHBondContact O-N 2.76Å; K168-E171 WeakPolarHBondContact O-CB 3.29Å; K168-E171 PolarHBondContact O-N 2.84Å
172	G	80	Confident	88.1	Confident	75 Å²	75	55.8 Å²	55.8	77%	0.773	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.7	-19	-177.1	0	0	0	0	0	114.7	V170 S174	V170-G172 PolarHBondContact O-N 2.81Å; G172-S174 PolarHBondContact O-N 3.27Å
173	F	84.5	Confident	88	Confident	62 Å²	62	55.5 Å²	55.5	27%	0.272	33%	0.332	S	S	.	.			trans	-69.7	123	167.4	-73.6	-86.3	0	0	0	109.6	V170 N179 M182 V183 V186	V170-F173 HydrophobicContact CB-CD2 4.21Å; V170-F173 WeakPolarHBondContact O-CD2 3.38Å; V170-F173 PolarHBondContact O-N 2.76Å; F173-N179 HydrophobicContact CD1-CB 4.22Å; F173-M182 HydrophobicContact CD1-CB 4.3Å; F173-M182 HydrophobicContact CE1-CB 3.64Å; F173-M182 HydrophobicContact CE1-CE 4.15Å; F173-M182 HydrophobicContact CE1-SD 4.41Å; F173-M182 HydrophobicContact CZ-CB 4.36Å; F173-V183 HydrophobicContact CB-CG2 3.52Å; F173-V183 HydrophobicContact CD1-CG2 3.76Å; F173-V183 HydrophobicContact CD2-CG2 3.77Å; F173-V183 HydrophobicContact CE1-CG2 4.41Å; F173-V183 HydrophobicContact CE2-CG2 4.42Å; F173-V183 HydrophobicContact CG-CG2 3.4Å; F173-V186 HydrophobicContact CE2-CB 4.47Å; F173-V186 HydrophobicContact CE2-CG2 3.85Å; F173-V186 HydrophobicContact CZ-CG2 3.71Å
174	S	80.4	Confident	88.1	Confident	21 Å²	21	53.3 Å²	53.3	15%	0.147	32%	0.318	C	S	.	.			trans	-68.8	150.3	169.6	51.8	0	0	0	0	110.5	G172 T176 N179	G172-S174 PolarHBondContact O-N 3.27Å; S174-T176 PolarHBondContact O-N 2.93Å; S174-N179 PolarHBondContact N-ND2 3Å; S174-N179 WeakPolarHBondContact O-CB 3.34Å; S174-N179 PolarHBondContact O-ND2 2.95Å; S174-N179 PolarHBondContact OG-ND2 3.49Å
175	V	85.1	Confident	88.2	Confident	30 Å²	30	57.8 Å²	57.8	18%	0.182	33%	0.326	C	S	.	.	S	Bend	trans	-77	88.9	178.2	-172.9	0	0	0	0	109.5	V152 L155 V156 L159	V152-V175 HydrophobicContact CG2-CG1 3.73Å; V152-V175 WeakPolarHBondContact CG2-O 3.35Å; L155-V175 HydrophobicContact CD2-CG1 4.34Å; L155-V175 HydrophobicContact CG-CG1 4.35Å; V156-V175 HydrophobicContact CG2-CG1 3.48Å; V156-V175 VanDerWaalsContact CG2-CG1 3.48Å; L159-V175 HydrophobicContact CD1-CG2 3.74Å
176	T	84.5	Confident	88.4	Confident	52 Å²	52	55.3 Å²	55.3	32%	0.319	32%	0.315	S	S	.	.			trans	-132.8	156.4	178.4	62.1	0	0	0	0	110.1	S174 A178 N179 Y180	S174-T176 PolarHBondContact O-N 2.93Å; T176-A178 VanDerWaalsContact C-N 3.26Å; T176-A178 PolarHBondContact O-N 2.98Å; T176-N179 PolarHBondContact O-N 2.86Å; T176-N179 VanDerWaalsContact O-N 3.13Å; T176-N179 WeakPolarHBondContact OG1-CB 3.35Å; T176-N179 PolarHBondContact OG1-N 3.11Å; T176-N179 PolarHBondContact OG1-ND2 3.49Å; T176-Y180 PolarHBondContact O-N 3.06Å
177	N	82.6	Confident	88.4	Confident	79 Å²	79	55.3 Å²	55.3	42%	0.422	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-45.7	174.5	-75.4	-62.6	0	0	0	111	D151 V152 N179 Y180 P181	D151-N177 HydrophobicContact CB-CB 4.17Å; D151-N177 PolarHBondContact N-OD1 3.33Å; V152-N177 WeakPolarHBondContact CB-OD1 3.39Å; V152-N177 PolarHBondContact N-OD1 3.25Å; N177-N179 PolarHBondContact O-N 3.34Å; N177-Y180 PolarHBondContact O-N 3.31Å; N177-P181 WeakPolarHBondContact O-CD 3.5Å
178	A	84.2	Confident	88.4	Confident	73 Å²	73	55.5 Å²	55.5	60%	0.603	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.1	-179.3	0	0	0	0	0	114.1	T176	T176-A178 VanDerWaalsContact C-N 3.26Å; T176-A178 PolarHBondContact O-N 2.98Å
179	N	91.1	Very high	88.3	Confident	24 Å²	24	51.2 Å²	51.2	13%	0.128	31%	0.307	C	S	.	.	H	α-helix	trans	-87.3	-17.4	-176.7	-74.2	-6.7	0	0	0	113.3	L155 F173 S174 T176 N177 M182 V183	L155-N179 HydrophobicContact CD2-CB 4.03Å; F173-N179 HydrophobicContact CD1-CB 4.22Å; S174-N179 PolarHBondContact N-ND2 3Å; S174-N179 WeakPolarHBondContact O-CB 3.34Å; S174-N179 PolarHBondContact O-ND2 2.95Å; S174-N179 PolarHBondContact OG-ND2 3.49Å; T176-N179 PolarHBondContact O-N 2.86Å; T176-N179 VanDerWaalsContact O-N 3.13Å; T176-N179 WeakPolarHBondContact OG1-CB 3.35Å; T176-N179 PolarHBondContact OG1-N 3.11Å; T176-N179 PolarHBondContact OG1-ND2 3.49Å; N177-N179 PolarHBondContact O-N 3.34Å; N179-M182 PolarHBondContact O-N 3.17Å; N179-V183 WeakPolarHBondContact O-CB 3.36Å; N179-V183 VanDerWaalsContact O-CG2 3.28Å; N179-V183 WeakPolarHBondContact O-CG2 3.39Å; N179-V183 PolarHBondContact O-N 3.36Å
180	Y	93.7	Very high	88.4	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-58.8	-50	-180	176.4	-111.9	0	0	0	112.6	H144 D151 K154 L155 L158 T176 N177 M182 V183 V184	H144-Y180 AromaticContact ND1-CE1 3.57Å; H144-Y180 AromaticContact ND1-CZ 3.53Å; H144-Y180 PolarHBondContact ND1-OH 2.85Å; D151-Y180 HydrophobicContact CB-CD1 4.02Å; D151-Y180 HydrophobicContact CB-CG 4.23Å; D151-Y180 VanDerWaalsContact O-CB 3.27Å; D151-Y180 WeakPolarHBondContact O-CB 3.47Å; D151-Y180 WeakPolarHBondContact OD1-CD1 3.34Å; K154-Y180 HydrophobicContact CB-CD1 4.17Å; K154-Y180 HydrophobicContact CB-CD2 3.87Å; K154-Y180 HydrophobicContact CB-CE1 3.8Å; K154-Y180 HydrophobicContact CB-CE2 3.45Å; K154-Y180 VanDerWaalsContact CB-CE2 3.45Å; K154-Y180 HydrophobicContact CB-CG 4.18Å; K154-Y180 HydrophobicContact CD-CD1 4.27Å; K154-Y180 HydrophobicContact CD-CE1 3.6Å; K154-Y180 HydrophobicContact CG-CE1 4.35Å; L155-Y180 HydrophobicContact CB-CD2 3.76Å; L155-Y180 HydrophobicContact CB-CG 4.32Å; L155-Y180 HydrophobicContact CD1-CD2 4.37Å; L158-Y180 HydrophobicContact CB-CE2 4.44Å; L158-Y180 HydrophobicContact CD2-CD2 4.35Å; L158-Y180 HydrophobicContact CD2-CE2 3.92Å; T176-Y180 PolarHBondContact O-N 3.06Å; N177-Y180 PolarHBondContact O-N 3.31Å; Y180-M182 VanDerWaalsContact C-N 3.27Å; Y180-M182 PolarHBondContact O-N 2.67Å; Y180-V183 PolarHBondContact O-N 3.19Å; Y180-V184 HydrophobicContact CD1-CG2 4.48Å; Y180-V184 HydrophobicContact CD2-CG2 4.04Å; Y180-V184 HydrophobicContact CE1-CG2 4.09Å; Y180-V184 HydrophobicContact CE2-CG2 3.61Å; Y180-V184 HydrophobicContact CG-CG2 4.48Å; Y180-V184 WeakPolarHBondContact O-CG2 3.4Å; Y180-V184 PolarHBondContact O-N 3.13Å
181	P	92.1	Very high	88.5	Confident	69 Å²	69	56.7 Å²	56.7	45%	0.448	33%	0.325	S	S	.	.	H	α-helix	trans	-57.4	-41.5	175.1	-22.5	33.8	0	0	0	112	N177 V183 V184 E185	N177-P181 WeakPolarHBondContact O-CD 3.5Å; P181-V183 PolarHBondContact O-N 3.26Å; P181-V184 PolarHBondContact O-N 2.97Å; P181-E185 VanDerWaalsContact O-CB 3.31Å; P181-E185 WeakPolarHBondContact O-CB 3.48Å; P181-E185 PolarHBondContact O-N 3.39Å
182	M	91.9	Very high	88.8	Confident	90 Å²	90	50.2 Å²	50.2	44%	0.443	30%	0.299	S	S	.	.	H	α-helix	trans	-65.6	-39.8	179.9	-55.1	179.5	73.2	0	0	112.5	F173 N179 Y180 E185 V186	F173-M182 HydrophobicContact CD1-CB 4.3Å; F173-M182 HydrophobicContact CE1-CB 3.64Å; F173-M182 HydrophobicContact CE1-CE 4.15Å; F173-M182 HydrophobicContact CE1-SD 4.41Å; F173-M182 HydrophobicContact CZ-CB 4.36Å; N179-M182 PolarHBondContact O-N 3.17Å; Y180-M182 VanDerWaalsContact C-N 3.27Å; Y180-M182 PolarHBondContact O-N 2.67Å; M182-E185 WeakPolarHBondContact O-CB 3.46Å; M182-E185 PolarHBondContact O-N 2.71Å; M182-V186 WeakPolarHBondContact O-CG2 3.29Å; M182-V186 PolarHBondContact O-N 2.87Å
183	V	93	Very high	89.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-68.5	-42.9	177.6	169.4	0	0	0	0	110.6	L155 L158 V170 F173 N179 Y180 P181 E185 V186 L187	L155-V183 HydrophobicContact CD1-CB 3.77Å; L155-V183 HydrophobicContact CD1-CG1 3.67Å; L155-V183 HydrophobicContact CD1-CG2 3.74Å; L158-V183 HydrophobicContact CD2-CG1 3.78Å; V170-V183 HydrophobicContact CB-CG1 4.03Å; V170-V183 HydrophobicContact CG1-CG1 3.8Å; V170-V183 HydrophobicContact CG2-CG1 4.44Å; F173-V183 HydrophobicContact CB-CG2 3.52Å; F173-V183 HydrophobicContact CD1-CG2 3.76Å; F173-V183 HydrophobicContact CD2-CG2 3.77Å; F173-V183 HydrophobicContact CE1-CG2 4.41Å; F173-V183 HydrophobicContact CE2-CG2 4.42Å; F173-V183 HydrophobicContact CG-CG2 3.4Å; N179-V183 WeakPolarHBondContact O-CB 3.36Å; N179-V183 VanDerWaalsContact O-CG2 3.28Å; N179-V183 WeakPolarHBondContact O-CG2 3.39Å; N179-V183 PolarHBondContact O-N 3.36Å; Y180-V183 PolarHBondContact O-N 3.19Å; P181-V183 PolarHBondContact O-N 3.26Å; V183-E185 VanDerWaalsContact C-N 3.3Å; V183-E185 PolarHBondContact O-N 3.37Å; V183-V186 PolarHBondContact O-N 2.86Å; V183-L187 HydrophobicContact CG1-CD1 4.42Å; V183-L187 WeakPolarHBondContact O-CG 3.47Å; V183-L187 PolarHBondContact O-N 3.48Å
184	V	94.9	Very high	89.1	Confident	11 Å²	11	54 Å²	54	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-44.1	173	169.1	0	0	0	0	110.4	W136 L158 Y180 P181 L187 K188	W136-V184 HydrophobicContact CH2-CB 4.19Å; W136-V184 HydrophobicContact CH2-CG1 3.38Å; W136-V184 HydrophobicContact CH2-CG2 3.8Å; W136-V184 HydrophobicContact CZ2-CG1 3.96Å; W136-V184 HydrophobicContact CZ3-CG1 4.09Å; W136-V184 HydrophobicContact CZ3-CG2 4.27Å; L158-V184 HydrophobicContact CD2-CG2 3.89Å; Y180-V184 HydrophobicContact CD1-CG2 4.48Å; Y180-V184 HydrophobicContact CD2-CG2 4.04Å; Y180-V184 HydrophobicContact CE1-CG2 4.09Å; Y180-V184 HydrophobicContact CE2-CG2 3.61Å; Y180-V184 HydrophobicContact CG-CG2 4.48Å; Y180-V184 WeakPolarHBondContact O-CG2 3.4Å; Y180-V184 PolarHBondContact O-N 3.13Å; P181-V184 PolarHBondContact O-N 2.97Å; V184-L187 PolarHBondContact O-N 2.92Å; V184-K188 HydrophobicContact CG1-CD 4.09Å; V184-K188 HydrophobicContact CG1-CG 4.39Å; V184-K188 WeakPolarHBondContact O-CB 3.37Å; V184-K188 WeakPolarHBondContact O-CG 3.4Å; V184-K188 PolarHBondContact O-N 3.19Å
185	E	92.5	Very high	89.4	Confident	140 Å²	140	57.6 Å²	57.6	65%	0.654	31%	0.311	S	S	*	.	H	α-helix	trans	-60.5	-44.6	176.2	-171.3	-175.2	-179.5	0	0	111.8	P181 M182 V183 L187 G189	P181-E185 VanDerWaalsContact O-CB 3.31Å; P181-E185 WeakPolarHBondContact O-CB 3.48Å; P181-E185 PolarHBondContact O-N 3.39Å; M182-E185 WeakPolarHBondContact O-CB 3.46Å; M182-E185 PolarHBondContact O-N 2.71Å; V183-E185 VanDerWaalsContact C-N 3.3Å; V183-E185 PolarHBondContact O-N 3.37Å; E185-L187 PolarHBondContact O-N 3.16Å; E185-G189 WeakPolarHBondContact O-CA 3.34Å; E185-G189 PolarHBondContact O-N 3.43Å
186	V	92.7	Very high	89.5	Confident	46 Å²	46	57 Å²	57	28%	0.279	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-42.2	176.2	168.2	0	0	0	0	111.9	V170 F173 M182 V183 R190	V170-V186 HydrophobicContact CG1-CB 4.38Å; V170-V186 HydrophobicContact CG1-CG1 3.94Å; F173-V186 HydrophobicContact CE2-CB 4.47Å; F173-V186 HydrophobicContact CE2-CG2 3.85Å; F173-V186 HydrophobicContact CZ-CG2 3.71Å; M182-V186 WeakPolarHBondContact O-CG2 3.29Å; M182-V186 PolarHBondContact O-N 2.87Å; V183-V186 PolarHBondContact O-N 2.86Å; V186-R190 WeakPolarHBondContact O-CB 3.17Å; V186-R190 PolarHBondContact O-N 3.3Å
187	L	93.1	Very high	89.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.4	-48.2	178.4	-71.4	173.1	0	0	0	111.9	F132 L158 L162 A166 V170 V183 V184 E185 G189 R190 F191 G192	F132-L187 HydrophobicContact CE2-CB 4.5Å; L158-L187 HydrophobicContact CD1-CD1 3.79Å; L158-L187 HydrophobicContact CD2-CD1 3.81Å; L158-L187 HydrophobicContact CG-CD1 4Å; L162-L187 HydrophobicContact CD1-CD1 3.92Å; L162-L187 HydrophobicContact CD1-CD2 4.03Å; L162-L187 HydrophobicContact CD2-CD1 4.05Å; L162-L187 HydrophobicContact CD2-CD2 4.2Å; A166-L187 HydrophobicContact CB-CD2 4.43Å; V170-L187 HydrophobicContact CG1-CD2 3.9Å; V170-L187 HydrophobicContact CG1-CG 3.92Å; V183-L187 HydrophobicContact CG1-CD1 4.42Å; V183-L187 WeakPolarHBondContact O-CG 3.47Å; V183-L187 PolarHBondContact O-N 3.48Å; V184-L187 PolarHBondContact O-N 2.92Å; E185-L187 PolarHBondContact O-N 3.16Å; L187-G189 VanDerWaalsContact C-N 3.33Å; L187-G189 PolarHBondContact O-N 2.98Å; L187-R190 PolarHBondContact O-N 3.43Å; L187-F191 HydrophobicContact CD2-CD2 3.98Å; L187-F191 HydrophobicContact CD2-CE2 3.96Å; L187-F191 WeakPolarHBondContact O-CB 3.42Å; L187-F191 PolarHBondContact O-N 2.94Å; L187-G192 PolarHBondContact O-N 3.41Å
188	K	92.1	Very high	90.1	Very high	79 Å²	79	51.4 Å²	51.4	34%	0.343	28%	0.278	S	S	.	.	H	α-helix	trans	-61.9	-42.3	175.9	-74.1	-172.3	176.3	-175.2	0	110.9	F132 V184 G192	F132-K188 HydrophobicContact CZ-CG 4.14Å; V184-K188 HydrophobicContact CG1-CD 4.09Å; V184-K188 HydrophobicContact CG1-CG 4.39Å; V184-K188 WeakPolarHBondContact O-CB 3.37Å; V184-K188 WeakPolarHBondContact O-CG 3.4Å; V184-K188 PolarHBondContact O-N 3.19Å; K188-G192 CarbonylContact O-C 3.58Å; K188-G192 WeakPolarHBondContact O-CA 3.48Å; K188-G192 PolarHBondContact O-N 3.28Å
189	G	87.5	Confident	90.4	Very high	47 Å²	47	49 Å²	49	49%	0.485	25%	0.254	S	S	.	.	H	α-helix	trans	-67.5	-35.7	178.6	0	0	0	0	0	113.7	E185 L187 R193	E185-G189 WeakPolarHBondContact O-CA 3.34Å; E185-G189 PolarHBondContact O-N 3.43Å; L187-G189 VanDerWaalsContact C-N 3.33Å; L187-G189 PolarHBondContact O-N 2.98Å; G189-R193 WeakPolarHBondContact O-CD 3.31Å; G189-R193 WeakPolarHBondContact O-CG 3.34Å
190	R	88	Confident	90.5	Very high	121 Å²	121	49 Å²	49	46%	0.457	26%	0.257	S	S	.	.	H	α-helix	trans	-85.2	-45.7	-178.7	-171.1	170.9	179.6	159.8	-0.8	113	A169 V186 L187 R193	A169-R190 VanDerWaalsContact CA-NH1 3.34Å; V186-R190 WeakPolarHBondContact O-CB 3.17Å; V186-R190 PolarHBondContact O-N 3.3Å; L187-R190 PolarHBondContact O-N 3.43Å; R190-R193 PolarHBondContact O-NE 3Å; R190-R193 VanDerWaalsContact O-NE 3.17Å; R190-R193 PolarHBondContact O-NH2 3.46Å
191	F	92.5	Very high	90.5	Very high	12 Å²	12	49.1 Å²	49.1	5%	0.053	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-33.8	-170.6	-55	-74.5	0	0	0	113.2	F125 G127 L129 F132 A166 A169 L187 R193	F125-F191 HydrophobicContact CE1-CB 4.17Å; F125-F191 HydrophobicContact CE1-CD1 4.39Å; F125-F191 AromaticContact CE1-CD2 3.95Å; F125-F191 HydrophobicContact CE1-CD2 3.95Å; F125-F191 HydrophobicContact CE1-CE2 4.46Å; F125-F191 AromaticContact CE1-CG 3.92Å; F125-F191 HydrophobicContact CE1-CG 3.92Å; F125-F191 HydrophobicContact CZ-CB 3.98Å; F125-F191 HydrophobicContact CZ-CD1 4.25Å; F125-F191 HydrophobicContact CZ-CD2 4.49Å; F125-F191 AromaticContact CZ-CG 4Å; F125-F191 HydrophobicContact CZ-CG 4Å; G127-F191 WeakPolarHBondContact O-CD1 3.08Å; L129-F191 HydrophobicContact CD2-CB 4.39Å; L129-F191 HydrophobicContact CD2-CD1 4.46Å; L129-F191 VanDerWaalsContact CD2-O 3.27Å; L129-F191 WeakPolarHBondContact CD2-O 3.33Å; F132-F191 HydrophobicContact CD2-CB 3.48Å; F132-F191 VanDerWaalsContact CD2-CB 3.48Å; F132-F191 HydrophobicContact CE2-CB 3.86Å; F132-F191 HydrophobicContact CG-CB 4.08Å; A166-F191 HydrophobicContact CB-CE2 4.09Å; A166-F191 HydrophobicContact CB-CZ 4.24Å; A169-F191 HydrophobicContact CB-CE2 3.84Å; A169-F191 HydrophobicContact CB-CZ 4.1Å; L187-F191 HydrophobicContact CD2-CD2 3.98Å; L187-F191 HydrophobicContact CD2-CE2 3.96Å; L187-F191 WeakPolarHBondContact O-CB 3.42Å; L187-F191 PolarHBondContact O-N 2.94Å; F191-R193 PolarHBondContact O-N 3.17Å; F191-R193 VanDerWaalsContact O-N 3.11Å
192	G	87.6	Confident	90.5	Very high	19 Å²	19	46 Å²	46	20%	0.196	24%	0.238	C	C	.	.			trans	-81.4	29.4	179.7	0	0	0	0	0	115.6	L187 K188 P194	L187-G192 PolarHBondContact O-N 3.41Å; K188-G192 CarbonylContact O-C 3.58Å; K188-G192 WeakPolarHBondContact O-CA 3.48Å; K188-G192 PolarHBondContact O-N 3.28Å; G192-P194 VanDerWaalsContact O-CD 3.24Å; G192-P194 WeakPolarHBondContact O-CD 3.43Å
193	R	87.1	Confident	90.6	Very high	124 Å²	124	45 Å²	45	47%	0.468	23%	0.23	S	C	.	.			trans	-82.4	109.5	-178.8	-68.9	-177.2	-72.3	165.1	2	109.8	G189 R190 F191 R195 A196 I197	G189-R193 WeakPolarHBondContact O-CD 3.31Å; G189-R193 WeakPolarHBondContact O-CG 3.34Å; R190-R193 PolarHBondContact O-NE 3Å; R190-R193 VanDerWaalsContact O-NE 3.17Å; R190-R193 PolarHBondContact O-NH2 3.46Å; F191-R193 PolarHBondContact O-N 3.17Å; F191-R193 VanDerWaalsContact O-N 3.11Å; R193-R195 VanDerWaalsContact C-N 3.28Å; R193-R195 PolarHBondContact O-N 3.17Å; R193-R195 VanDerWaalsContact O-N 3.16Å; R193-A196 HydrophobicContact CB-CB 3.95Å; R193-A196 PolarHBondContact O-N 3.31Å; R193-I197 WeakPolarHBondContact O-CG1 3.41Å; R193-I197 PolarHBondContact O-N 3.27Å
194	P	84.6	Confident	90.5	Very high	92 Å²	92	45.8 Å²	45.8	60%	0.597	24%	0.239	S	C	*	.	H	α-helix	trans	-55.3	-42.4	-172.3	-27.1	36.1	0	0	0	112.9	G192 A196 I197 V198	G192-P194 VanDerWaalsContact O-CD 3.24Å; G192-P194 WeakPolarHBondContact O-CD 3.43Å; P194-A196 PolarHBondContact O-N 2.84Å; P194-I197 PolarHBondContact O-N 3.02Å; P194-V198 VanDerWaalsContact O-CG2 3.28Å; P194-V198 WeakPolarHBondContact O-CG2 3.37Å; P194-V198 PolarHBondContact O-N 3.41Å
195	R	86.5	Confident	90.3	Very high	97 Å²	97	47.7 Å²	47.7	37%	0.366	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-44.5	177.6	-163.6	-172.4	84.7	-147.6	0.3	112.7	R193 I197 V198 E199 E269	R193-R195 VanDerWaalsContact C-N 3.28Å; R193-R195 PolarHBondContact O-N 3.17Å; R193-R195 VanDerWaalsContact O-N 3.16Å; R195-I197 VanDerWaalsContact C-N 3.34Å; R195-I197 PolarHBondContact O-N 3.49Å; R195-V198 PolarHBondContact O-N 2.95Å; R195-E199 IonicContact CZ-OE1 2.83Å; R195-E199 IonicContact NE-OE1 3.25Å; R195-E199 PolarHBondContact NE-OE1 2.93Å; R195-E199 IonicContact NH2-OE1 3.85Å; R195-E199 WeakPolarHBondContact O-CB 3.15Å; R195-E199 WeakPolarHBondContact O-CG 3.41Å; R195-E199 PolarHBondContact O-N 2.93Å; R195-E269 IonicContact CZ-OE2 3.68Å; R195-E269 IonicContact NH2-OE1 2.71Å; R195-E269 PolarHBondContact NH2-OE1 2.98Å; R195-E269 IonicContact NH2-OE2 3.1Å; R195-E269 PolarHBondContact NH2-OE2 3.2Å
196	A	87.3	Confident	90.1	Very high	18 Å²	18	46 Å²	46	15%	0.149	24%	0.244	C	C	.	.	H	α-helix	trans	-68.7	-35	-178.7	0	0	0	0	0	111.9	L129 R193 P194 A200	L129-A196 HydrophobicContact CD1-CB 4.44Å; R193-A196 HydrophobicContact CB-CB 3.95Å; R193-A196 PolarHBondContact O-N 3.31Å; P194-A196 PolarHBondContact O-N 2.84Å; A196-A200 VanDerWaalsContact O-CB 3.31Å; A196-A200 WeakPolarHBondContact O-CB 3.3Å; A196-A200 PolarHBondContact O-N 3.35Å
197	I	89.7	Confident	90	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-68.3	-46.7	175.6	-60.7	171.3	0	0	0	109.8	F132 R193 P194 R195 A200 H201 L237	F132-I197 HydrophobicContact CD1-CD1 4.29Å; R193-I197 WeakPolarHBondContact O-CG1 3.41Å; R193-I197 PolarHBondContact O-N 3.27Å; P194-I197 PolarHBondContact O-N 3.02Å; R195-I197 VanDerWaalsContact C-N 3.34Å; R195-I197 PolarHBondContact O-N 3.49Å; I197-A200 WeakPolarHBondContact O-CB 3.33Å; I197-A200 PolarHBondContact O-N 2.94Å; I197-A200 VanDerWaalsContact O-N 3.17Å; I197-H201 PolarHBondContact O-CD2 3.07Å; I197-H201 VanDerWaalsContact O-CD2 3.27Å; I197-H201 PolarHBondContact O-N 3.34Å; I197-L237 HydrophobicContact CB-CD1 4.47Å; I197-L237 HydrophobicContact CG2-CD1 3.58Å; I197-L237 HydrophobicContact CG2-CD2 4.37Å
198	V	90.1	Very high	89.7	Confident	9 Å²	9	49.2 Å²	49.2	6%	0.055	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-48.9	174.8	172.1	0	0	0	0	111	P194 R195 A200 H201 V202 L234 L237 R239 L246	P194-V198 VanDerWaalsContact O-CG2 3.28Å; P194-V198 WeakPolarHBondContact O-CG2 3.37Å; P194-V198 PolarHBondContact O-N 3.41Å; R195-V198 PolarHBondContact O-N 2.95Å; V198-A200 VanDerWaalsContact C-N 3.27Å; V198-A200 PolarHBondContact O-N 3.18Å; V198-H201 PolarHBondContact O-N 2.94Å; V198-V202 HydrophobicContact CG1-CG2 4.38Å; V198-V202 WeakPolarHBondContact O-CG2 3.41Å; V198-V202 PolarHBondContact O-N 3.01Å; V198-L234 HydrophobicContact CG1-CD2 4.11Å; V198-L234 HydrophobicContact CG2-CD2 4.42Å; V198-L237 HydrophobicContact CG2-CD1 4.31Å; V198-R239 HydrophobicContact CG2-CG 3.98Å; V198-L246 HydrophobicContact CG1-CD1 3.78Å
199	E	90.7	Very high	89.1	Confident	22 Å²	22	50.2 Å²	50.2	10%	0.103	29%	0.286	C	S	.	.	H	α-helix	trans	-56.2	-40.9	175	-79	-179.6	-145.8	0	0	111.5	R195 V202 K203 T254 K257	R195-E199 IonicContact CZ-OE1 2.83Å; R195-E199 IonicContact NE-OE1 3.25Å; R195-E199 PolarHBondContact NE-OE1 2.93Å; R195-E199 IonicContact NH2-OE1 3.85Å; R195-E199 WeakPolarHBondContact O-CB 3.15Å; R195-E199 WeakPolarHBondContact O-CG 3.41Å; R195-E199 PolarHBondContact O-N 2.93Å; E199-V202 PolarHBondContact O-N 3.19Å; E199-K203 WeakPolarHBondContact O-CB 3.28Å; E199-K203 WeakPolarHBondContact O-CG 3.39Å; E199-K203 PolarHBondContact O-N 3.16Å; E199-T254 HydrophobicContact CB-CG2 4.24Å; E199-T254 HydrophobicContact CG-CG2 4.21Å; E199-K257 IonicContact OE1-NZ 3.97Å; E199-K257 IonicContact OE2-NZ 3.79Å; E199-K257 PolarHBondContact OE2-NZ 3Å
200	A	91.9	Very high	88.5	Confident	23 Å²	23	55.7 Å²	55.7	19%	0.19	30%	0.297	C	S	.	.	H	α-helix	trans	-65.9	-40.2	178.6	0	0	0	0	0	112.6	L130 A196 I197 V198 G204	L130-A200 HydrophobicContact CD2-CB 3.71Å; L130-A200 HydrophobicContact CG-CB 4.49Å; A196-A200 VanDerWaalsContact O-CB 3.31Å; A196-A200 WeakPolarHBondContact O-CB 3.3Å; A196-A200 PolarHBondContact O-N 3.35Å; I197-A200 WeakPolarHBondContact O-CB 3.33Å; I197-A200 PolarHBondContact O-N 2.94Å; I197-A200 VanDerWaalsContact O-N 3.17Å; V198-A200 VanDerWaalsContact C-N 3.27Å; V198-A200 PolarHBondContact O-N 3.18Å; A200-G204 PolarHBondContact O-N 3.47Å
201	H	93.9	Very high	87.5	Confident	7 Å²	7	52 Å²	52	3%	0.032	29%	0.289	C	S	.	.	H	α-helix	trans	-68.8	-40.3	174.1	-77.7	-79.2	0	0	0	112.4	L130 I197 V198 K203 G204 L205 H230 A233 L234	L130-H201 WeakPolarHBondContact CD2-NE2 3.38Å; I197-H201 PolarHBondContact O-CD2 3.07Å; I197-H201 VanDerWaalsContact O-CD2 3.27Å; I197-H201 PolarHBondContact O-N 3.34Å; V198-H201 PolarHBondContact O-N 2.94Å; H201-K203 VanDerWaalsContact C-N 3.35Å; H201-G204 WeakPolarHBondContact O-CA 3.43Å; H201-G204 PolarHBondContact O-N 3.03Å; H201-L205 PolarHBondContact O-N 3.37Å; H201-H230 AromaticContact CG-ND1 3.85Å; H201-H230 AromaticContact ND1-CG 3.95Å; H201-H230 AromaticContact ND1-ND1 3.09Å; H201-H230 PolarHBondContact ND1-ND1 2.9Å; H201-A233 WeakPolarHBondContact CE1-CB 3.32Å; H201-L234 HydrophobicContact CB-CD1 4.34Å; H201-L234 HydrophobicContact CB-CD2 3.95Å; H201-L234 HydrophobicContact CB-CG 3.95Å
202	V	93	Very high	85.8	Confident	5 Å²	5	55 Å²	55	3%	0.03	31%	0.305	C	S	.	.	H	α-helix	trans	-62.6	-43	174.9	172.8	0	0	0	0	110.6	V198 E199 G204 L205 L206 L246 I251 T254	V198-V202 HydrophobicContact CG1-CG2 4.38Å; V198-V202 WeakPolarHBondContact O-CG2 3.41Å; V198-V202 PolarHBondContact O-N 3.01Å; E199-V202 PolarHBondContact O-N 3.19Å; V202-G204 VanDerWaalsContact C-N 3.33Å; V202-G204 PolarHBondContact O-N 3.41Å; V202-L205 PolarHBondContact O-N 3.45Å; V202-L206 HydrophobicContact CG1-CD1 4.05Å; V202-L206 HydrophobicContact CG1-CG 4.49Å; V202-L206 VanDerWaalsContact O-CG 3.3Å; V202-L206 WeakPolarHBondContact O-CG 3.26Å; V202-L206 PolarHBondContact O-N 3.25Å; V202-L246 HydrophobicContact CG2-CD2 4.39Å; V202-I251 HydrophobicContact CG1-CG2 4.37Å; V202-T254 HydrophobicContact CB-CG2 4.14Å; V202-T254 HydrophobicContact CG1-CG2 3.83Å
203	K	92.8	Very high	84.3	Confident	67 Å²	67	63.7 Å²	63.7	29%	0.291	34%	0.341	S	S	.	.	H	α-helix	trans	-61	-41.7	172.7	-75.2	176	-179.6	-155.3	0	112.2	E199 H201 L206 A207 T254 E258	E199-K203 WeakPolarHBondContact O-CB 3.28Å; E199-K203 WeakPolarHBondContact O-CG 3.39Å; E199-K203 PolarHBondContact O-N 3.16Å; H201-K203 VanDerWaalsContact C-N 3.35Å; K203-L206 PolarHBondContact O-N 3.12Å; K203-A207 VanDerWaalsContact O-CB 3.29Å; K203-A207 WeakPolarHBondContact O-CB 3.48Å; K203-A207 PolarHBondContact O-N 3.12Å; K203-T254 HydrophobicContact CG-CG2 3.94Å; K203-E258 WeakPolarHBondContact CE-OE1 3.19Å; K203-E258 IonicContact NZ-OE1 3.93Å; K203-E258 PolarHBondContact NZ-OE1 2.71Å; K203-E258 IonicContact NZ-OE2 2.83Å; K203-E258 PolarHBondContact NZ-OE2 3.1Å
204	G	91.9	Very high	82.7	Confident	18 Å²	18	62.5 Å²	62.5	19%	0.186	35%	0.35	C	S	.	.	H	α-helix	trans	-54.7	-51.5	173.5	0	0	0	0	0	111.8	A200 H201 V202 L206 A207 I208	A200-G204 PolarHBondContact O-N 3.47Å; H201-G204 WeakPolarHBondContact O-CA 3.43Å; H201-G204 PolarHBondContact O-N 3.03Å; V202-G204 VanDerWaalsContact C-N 3.33Å; V202-G204 PolarHBondContact O-N 3.41Å; G204-L206 PolarHBondContact O-N 2.84Å; G204-A207 PolarHBondContact O-N 3.15Å; G204-A207 VanDerWaalsContact O-N 3.13Å; G204-I208 WeakPolarHBondContact O-CG1 3.42Å; G204-I208 PolarHBondContact O-N 2.92Å
205	L	90.6	Very high	81.7	Confident	50 Å²	50	59.3 Å²	59.3	26%	0.262	33%	0.332	S	S	.	.	H	α-helix	trans	-57.8	-44.6	175.6	-74	168.3	0	0	0	113	H201 V202 A207 I208 H230 I231 L234	H201-L205 PolarHBondContact O-N 3.37Å; V202-L205 PolarHBondContact O-N 3.45Å; L205-A207 PolarHBondContact O-N 2.86Å; L205-I208 HydrophobicContact CD2-CD1 3.99Å; L205-I208 PolarHBondContact O-N 3.33Å; L205-H230 HydrophobicContact CD1-CB 4.22Å; L205-H230 HydrophobicContact CD2-CB 3.7Å; L205-H230 HydrophobicContact CG-CB 3.64Å; L205-I231 HydrophobicContact CD1-CD1 4.28Å; L205-L234 HydrophobicContact CD1-CD1 3.92Å
206	L	88.5	Confident	81.2	Confident	105 Å²	105	58.1 Å²	58.1	55%	0.55	33%	0.333	S	S	.	.	H	α-helix	trans	-68.8	-22.8	179.2	-67.5	170.7	0	0	0	113.2	V202 K203 G204 V255	V202-L206 HydrophobicContact CG1-CD1 4.05Å; V202-L206 HydrophobicContact CG1-CG 4.49Å; V202-L206 VanDerWaalsContact O-CG 3.3Å; V202-L206 WeakPolarHBondContact O-CG 3.26Å; V202-L206 PolarHBondContact O-N 3.25Å; K203-L206 PolarHBondContact O-N 3.12Å; G204-L206 PolarHBondContact O-N 2.84Å; L206-V255 HydrophobicContact CD1-CG2 3.64Å; L206-V255 HydrophobicContact CD2-CG2 4.39Å
207	A	89.8	Confident	80.8	Confident	76 Å²	76	60.6 Å²	60.6	63%	0.628	35%	0.353	S	S	*	.	H	α-helix	trans	-91.2	-9.9	179.3	0	0	0	0	0	113.5	K203 G204 L205 S209	K203-A207 VanDerWaalsContact O-CB 3.29Å; K203-A207 WeakPolarHBondContact O-CB 3.48Å; K203-A207 PolarHBondContact O-N 3.12Å; G204-A207 PolarHBondContact O-N 3.15Å; G204-A207 VanDerWaalsContact O-N 3.13Å; L205-A207 PolarHBondContact O-N 2.86Å; A207-S209 PolarHBondContact O-N 3.15Å
208	I	88.2	Confident	80.1	Confident	37 Å²	37	64.6 Å²	64.6	19%	0.19	38%	0.382	C	S	.	.	S	Bend	trans	-59.1	127	176.5	-57.5	-180	0	0	0	108.6	G204 L205 F223 Q226 I227	G204-I208 WeakPolarHBondContact O-CG1 3.42Å; G204-I208 PolarHBondContact O-N 2.92Å; L205-I208 HydrophobicContact CD2-CD1 3.99Å; L205-I208 PolarHBondContact O-N 3.33Å; I208-F223 HydrophobicContact CG2-CD2 3.44Å; I208-F223 VanDerWaalsContact CG2-CD2 3.44Å; I208-F223 HydrophobicContact CG2-CE2 3.53Å; I208-Q226 HydrophobicContact CD1-CB 3.93Å; I208-Q226 HydrophobicContact CG1-CB 4.35Å; I208-Q226 HydrophobicContact CG2-CB 4.48Å; I208-I227 HydrophobicContact CD1-CB 4.48Å; I208-I227 HydrophobicContact CD1-CG1 3.67Å
209	S	78.3	Confident	79.6	Confident	100 Å²	100	68.5 Å²	68.5	70%	0.699	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-65.3	139.9	179.5	-66.1	0	0	0	0	110.6	A207	A207-S209 PolarHBondContact O-N 3.15Å
210	K	75	Confident	79.3	Confident	162 Å²	162	71.7 Å²	71.7	70%	0.704	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-59.1	137.6	173	56	171.5	-174.4	129.7	0	110.7	D212	K210-D212 WeakPolarHBondContact CE-OD1 3.28Å; K210-D212 IonicContact NZ-OD1 2.78Å; K210-D212 PolarHBondContact NZ-OD1 2.85Å; K210-D212 PolarHBondContact O-N 3.41Å
211	C	68	Low	79	Confident	44 Å²	44	78.4 Å²	78.4	30%	0.297	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-68.2	121.6	161.4	-68.9	0	0	0	0	108.5	A215 L220 F223	C211-A215 HydrophobicContact CB-CB 4Å; C211-L220 HydrophobicContact CB-CD2 4.44Å; C211-F223 WeakPolarHBondContact SG-CB 2.95Å; C211-F223 VanDerWaalsContact SG-CD1 3.59Å; C211-F223 WeakPolarHBondContact SG-CG 3.31Å
212	D	56.5	Low	78.6	Confident	74 Å²	74	83 Å²	83	40%	0.396	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-73.2	167.6	174.2	-74.8	-39.9	0	0	0	110.8	K210 C214 A215	K210-D212 WeakPolarHBondContact CE-OD1 3.28Å; K210-D212 IonicContact NZ-OD1 2.78Å; K210-D212 PolarHBondContact NZ-OD1 2.85Å; K210-D212 PolarHBondContact O-N 3.41Å; D212-C214 PolarHBondContact O-N 2.9Å; D212-A215 PolarHBondContact O-N 3.37Å; D212-A215 VanDerWaalsContact O-N 3.16Å
213	H	56.5	Low	78.3	Confident	202 Å²	202	86.2 Å²	86.2	94%	0.935	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-3.5	-169.3	-71.7	54.6	0	0	0	114.5
214	C	52.8	Low	78.3	Confident	99 Å²	99	88 Å²	88	67%	0.669	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	29.9	-178.5	-43.5	0	0	0	0	112.1	D212 N216	D212-C214 PolarHBondContact O-N 2.9Å; C214-N216 PolarHBondContact O-N 3.45Å
215	A	62.8	Low	78.3	Confident	26 Å²	26	90.6 Å²	90.6	22%	0.215	49%	0.491	C	S	.	.			trans	-59.6	121.1	-176	0	0	0	0	0	111.4	C211 D212 E219 L220	C211-A215 HydrophobicContact CB-CB 4Å; D212-A215 PolarHBondContact O-N 3.37Å; D212-A215 VanDerWaalsContact O-N 3.16Å; A215-E219 WeakPolarHBondContact CA-OE2 3.44Å; A215-E219 HydrophobicContact CB-CB 4.38Å; A215-L220 HydrophobicContact CB-CD2 3.74Å; A215-L220 HydrophobicContact CB-CG 3.8Å
216	N	76.3	Confident	78.3	Confident	72 Å²	72	91.6 Å²	91.6	39%	0.385	49%	0.494	S	S	.	.			trans	-76.4	169.4	174	64	56.7	0	0	0	110.8	C214 S218 E219 L220	C214-N216 PolarHBondContact O-N 3.45Å; N216-S218 PolarHBondContact O-N 2.66Å; N216-S218 VanDerWaalsContact O-N 3.15Å; N216-S218 WeakPolarHBondContact OD1-CA 3.37Å; N216-S218 VanDerWaalsContact OD1-CB 3.31Å; N216-S218 WeakPolarHBondContact OD1-CB 3.41Å; N216-S218 PolarHBondContact OD1-N 2.8Å; N216-E219 PolarHBondContact ND2-OE1 2.85Å; N216-E219 PolarHBondContact O-N 2.86Å; N216-E219 VanDerWaalsContact O-N 3.17Å; N216-E219 PolarHBondContact OD1-N 3.39Å; N216-L220 PolarHBondContact O-N 2.9Å
217	A	78.4	Confident	78.5	Confident	70 Å²	70	89.3 Å²	89.3	58%	0.579	48%	0.482	S	S	*	.	H	α-helix	trans	-58.1	-29.9	-178.2	0	0	0	0	0	113.8	R221	A217-R221 VanDerWaalsContact O-CB 3.25Å; A217-R221 WeakPolarHBondContact O-CB 3.46Å; A217-R221 PolarHBondContact O-N 2.78Å
218	S	76.8	Confident	78.6	Confident	89 Å²	89	86.7 Å²	86.7	62%	0.622	46%	0.459	S	S	*	.	H	α-helix	trans	-73.4	-42.8	177.9	-165.5	0	0	0	0	111.9	N216 R221 E222	N216-S218 PolarHBondContact O-N 2.66Å; N216-S218 VanDerWaalsContact O-N 3.15Å; N216-S218 WeakPolarHBondContact OD1-CA 3.37Å; N216-S218 VanDerWaalsContact OD1-CB 3.31Å; N216-S218 WeakPolarHBondContact OD1-CB 3.41Å; N216-S218 PolarHBondContact OD1-N 2.8Å; S218-R221 PolarHBondContact O-N 2.83Å; S218-E222 PolarHBondContact O-N 2.93Å
219	E	79.8	Confident	78.9	Confident	91 Å²	91	89 Å²	89	43%	0.425	47%	0.472	S	S	.	.	H	α-helix	trans	-66.3	-41.3	176.5	-72.2	169.7	-168.3	0	0	111.4	A215 N216 R221 E222 F223	A215-E219 WeakPolarHBondContact CA-OE2 3.44Å; A215-E219 HydrophobicContact CB-CB 4.38Å; N216-E219 PolarHBondContact ND2-OE1 2.85Å; N216-E219 PolarHBondContact O-N 2.86Å; N216-E219 VanDerWaalsContact O-N 3.17Å; N216-E219 PolarHBondContact OD1-N 3.39Å; E219-R221 VanDerWaalsContact C-N 3.29Å; E219-R221 PolarHBondContact O-N 2.87Å; E219-E222 PolarHBondContact O-N 2.92Å; E219-F223 WeakPolarHBondContact O-CB 3.38Å; E219-F223 PolarHBondContact O-N 3.17Å
220	L	83.2	Confident	79.7	Confident	88 Å²	88	84.9 Å²	84.9	46%	0.461	44%	0.441	S	S	.	.	H	α-helix	trans	-63.8	-35.9	173.6	-70	175.3	0	0	0	111.9	C211 A215 N216 H224	C211-L220 HydrophobicContact CB-CD2 4.44Å; A215-L220 HydrophobicContact CB-CD2 3.74Å; A215-L220 HydrophobicContact CB-CG 3.8Å; N216-L220 PolarHBondContact O-N 2.9Å; L220-H224 VanDerWaalsContact O-CB 3.22Å; L220-H224 WeakPolarHBondContact O-CB 3.36Å; L220-H224 PolarHBondContact O-N 2.95Å
221	R	85.9	Confident	80.5	Confident	164 Å²	164	80 Å²	80	62%	0.619	42%	0.422	S	S	*	.	H	α-helix	trans	-69.1	-45.3	176	-174.5	162.6	-68.1	143.9	2.2	112	A217 S218 E219 F223 H224 D225	A217-R221 VanDerWaalsContact O-CB 3.25Å; A217-R221 WeakPolarHBondContact O-CB 3.46Å; A217-R221 PolarHBondContact O-N 2.78Å; S218-R221 PolarHBondContact O-N 2.83Å; E219-R221 VanDerWaalsContact C-N 3.29Å; E219-R221 PolarHBondContact O-N 2.87Å; R221-F223 VanDerWaalsContact C-N 3.35Å; R221-F223 PolarHBondContact O-N 2.84Å; R221-H224 WeakPolarHBondContact O-CB 3.13Å; R221-H224 PolarHBondContact O-N 2.68Å; R221-D225 WeakPolarHBondContact O-CB 3.2Å; R221-D225 PolarHBondContact O-N 3.39Å
222	E	85.2	Confident	81.7	Confident	105 Å²	105	85.8 Å²	85.8	49%	0.491	44%	0.438	S	S	.	.	H	α-helix	trans	-60.6	-45.5	174.7	-174.6	63.3	-147.1	0	0	111	S218 E219 H224 D225 Q226	S218-E222 PolarHBondContact O-N 2.93Å; E219-E222 PolarHBondContact O-N 2.92Å; E222-H224 PolarHBondContact O-N 3.28Å; E222-D225 PolarHBondContact O-N 2.84Å; E222-Q226 HydrophobicContact CG-CG 4.46Å; E222-Q226 WeakPolarHBondContact O-CB 3.26Å; E222-Q226 VanDerWaalsContact O-CG 3.28Å; E222-Q226 WeakPolarHBondContact O-CG 3.32Å; E222-Q226 PolarHBondContact O-N 3Å; E222-Q226 PolarHBondContact OE1-NE2 2.96Å
223	F	87.6	Confident	83.3	Confident	72 Å²	72	83.4 Å²	83.4	32%	0.316	43%	0.429	S	S	.	.	H	α-helix	trans	-59.8	-44.9	175.8	-176.7	-109.3	0	0	0	112.2	I208 C211 E219 R221 I227	I208-F223 HydrophobicContact CG2-CD2 3.44Å; I208-F223 VanDerWaalsContact CG2-CD2 3.44Å; I208-F223 HydrophobicContact CG2-CE2 3.53Å; C211-F223 WeakPolarHBondContact SG-CB 2.95Å; C211-F223 VanDerWaalsContact SG-CD1 3.59Å; C211-F223 WeakPolarHBondContact SG-CG 3.31Å; E219-F223 WeakPolarHBondContact O-CB 3.38Å; E219-F223 PolarHBondContact O-N 3.17Å; R221-F223 VanDerWaalsContact C-N 3.35Å; R221-F223 PolarHBondContact O-N 2.84Å; F223-I227 HydrophobicContact CD1-CD1 3.72Å; F223-I227 HydrophobicContact CD2-CD1 4.3Å; F223-I227 HydrophobicContact CE1-CD1 3.3Å; F223-I227 HydrophobicContact CE2-CD1 3.92Å; F223-I227 HydrophobicContact CG-CD1 4.21Å; F223-I227 HydrophobicContact CZ-CD1 3.42Å; F223-I227 VanDerWaalsContact CZ-CD1 3.42Å; F223-I227 HydrophobicContact CZ-CG1 4.48Å; F223-I227 WeakPolarHBondContact O-CG1 3.49Å; F223-I227 PolarHBondContact O-N 3.37Å
224	H	91.6	Very high	85	Confident	104 Å²	104	73.8 Å²	73.8	48%	0.481	38%	0.384	S	S	.	.	H	α-helix	trans	-59.5	-44.4	173.9	167.4	-84.3	0	0	0	112.1	L220 R221 E222 S228	L220-H224 VanDerWaalsContact O-CB 3.22Å; L220-H224 WeakPolarHBondContact O-CB 3.36Å; L220-H224 PolarHBondContact O-N 2.95Å; R221-H224 WeakPolarHBondContact O-CB 3.13Å; R221-H224 PolarHBondContact O-N 2.68Å; E222-H224 PolarHBondContact O-N 3.28Å; H224-S228 PolarHBondContact CE1-OG 3.23Å; H224-S228 WeakPolarHBondContact O-CB 3.5Å; H224-S228 PolarHBondContact O-N 3Å; H224-S228 PolarHBondContact O-OG 2.9Å
225	D	91.7	Very high	86.8	Confident	72 Å²	72	72 Å²	72	39%	0.385	37%	0.37	S	S	.	.	H	α-helix	trans	-70.6	-38.9	-176.1	-68.4	-13.5	0	0	0	111.4	R221 E222 S228 L229	R221-D225 WeakPolarHBondContact O-CB 3.2Å; R221-D225 PolarHBondContact O-N 3.39Å; E222-D225 PolarHBondContact O-N 2.84Å; D225-S228 PolarHBondContact O-N 3.34Å; D225-L229 VanDerWaalsContact O-CB 3.29Å; D225-L229 WeakPolarHBondContact O-CB 3.29Å; D225-L229 PolarHBondContact O-N 2.87Å
226	Q	92.4	Very high	87.9	Confident	71 Å²	71	74.7 Å²	74.7	33%	0.332	39%	0.392	S	S	.	.	H	α-helix	trans	-64.9	-46.2	173.9	-68	-61.9	-36.1	0	0	112	I208 E222 L229 H230	I208-Q226 HydrophobicContact CD1-CB 3.93Å; I208-Q226 HydrophobicContact CG1-CB 4.35Å; I208-Q226 HydrophobicContact CG2-CB 4.48Å; E222-Q226 HydrophobicContact CG-CG 4.46Å; E222-Q226 WeakPolarHBondContact O-CB 3.26Å; E222-Q226 VanDerWaalsContact O-CG 3.28Å; E222-Q226 WeakPolarHBondContact O-CG 3.32Å; E222-Q226 PolarHBondContact O-N 3Å; E222-Q226 PolarHBondContact OE1-NE2 2.96Å; Q226-L229 PolarHBondContact O-N 3.09Å; Q226-H230 PolarHBondContact O-CD2 3.05Å; Q226-H230 VanDerWaalsContact O-CD2 3.25Å; Q226-H230 PolarHBondContact O-N 3.38Å
227	I	91.5	Very high	88.4	Confident	58 Å²	58	73.5 Å²	73.5	30%	0.297	39%	0.386	S	S	.	.	H	α-helix	trans	-60.9	-49.1	174.6	-70.1	171.9	0	0	0	109.9	I208 F223 L229 H230 I231	I208-I227 HydrophobicContact CD1-CB 4.48Å; I208-I227 HydrophobicContact CD1-CG1 3.67Å; F223-I227 HydrophobicContact CD1-CD1 3.72Å; F223-I227 HydrophobicContact CD2-CD1 4.3Å; F223-I227 HydrophobicContact CE1-CD1 3.3Å; F223-I227 HydrophobicContact CE2-CD1 3.92Å; F223-I227 HydrophobicContact CG-CD1 4.21Å; F223-I227 HydrophobicContact CZ-CD1 3.42Å; F223-I227 VanDerWaalsContact CZ-CD1 3.42Å; F223-I227 HydrophobicContact CZ-CG1 4.48Å; F223-I227 WeakPolarHBondContact O-CG1 3.49Å; F223-I227 PolarHBondContact O-N 3.37Å; I227-L229 VanDerWaalsContact C-N 3.3Å; I227-L229 PolarHBondContact O-N 2.93Å; I227-H230 PolarHBondContact O-N 3.19Å; I227-I231 HydrophobicContact CG2-CG1 4.02Å; I227-I231 WeakPolarHBondContact O-CB 3.38Å; I227-I231 VanDerWaalsContact O-CG1 3.3Å; I227-I231 WeakPolarHBondContact O-CG1 3.35Å; I227-I231 PolarHBondContact O-N 3.06Å
228	S	92.9	Very high	88.9	Confident	20 Å²	20	71.8 Å²	71.8	14%	0.14	38%	0.375	C	S	.	.	H	α-helix	trans	-58.8	-41.2	-178.9	-71.3	0	0	0	0	112.3	H224 D225 R232	H224-S228 PolarHBondContact CE1-OG 3.23Å; H224-S228 WeakPolarHBondContact O-CB 3.5Å; H224-S228 PolarHBondContact O-N 3Å; H224-S228 PolarHBondContact O-OG 2.9Å; D225-S228 PolarHBondContact O-N 3.34Å; S228-R232 VanDerWaalsContact CB-NH2 3.34Å; S228-R232 VanDerWaalsContact O-CB 3.28Å; S228-R232 WeakPolarHBondContact O-CB 3.35Å; S228-R232 WeakPolarHBondContact O-CG 3.5Å; S228-R232 PolarHBondContact O-N 3.46Å
229	L	93.5	Very high	89.5	Confident	87 Å²	87	71.5 Å²	71.5	46%	0.455	36%	0.36	S	S	.	.	H	α-helix	trans	-58.6	-51.9	177.8	178.5	151.3	0	0	0	111.2	D225 Q226 I227 A233	D225-L229 VanDerWaalsContact O-CB 3.29Å; D225-L229 WeakPolarHBondContact O-CB 3.29Å; D225-L229 PolarHBondContact O-N 2.87Å; Q226-L229 PolarHBondContact O-N 3.09Å; I227-L229 VanDerWaalsContact C-N 3.3Å; I227-L229 PolarHBondContact O-N 2.93Å; L229-A233 WeakPolarHBondContact O-CB 3.32Å; L229-A233 PolarHBondContact O-N 3.43Å; L229-A233 VanDerWaalsContact O-N 3.11Å
230	H	94.6	Very high	90	Very high	13 Å²	13	68 Å²	68	6%	0.06	34%	0.344	C	S	.	.	H	α-helix	trans	-69.8	-39.3	-177.8	-70.9	-69.9	0	0	0	112.3	H201 L205 Q226 I227 A233 L234	H201-H230 AromaticContact CG-ND1 3.85Å; H201-H230 AromaticContact ND1-CG 3.95Å; H201-H230 AromaticContact ND1-ND1 3.09Å; H201-H230 PolarHBondContact ND1-ND1 2.9Å; L205-H230 HydrophobicContact CD1-CB 4.22Å; L205-H230 HydrophobicContact CD2-CB 3.7Å; L205-H230 HydrophobicContact CG-CB 3.64Å; Q226-H230 PolarHBondContact O-CD2 3.05Å; Q226-H230 VanDerWaalsContact O-CD2 3.25Å; Q226-H230 PolarHBondContact O-N 3.38Å; I227-H230 PolarHBondContact O-N 3.19Å; H230-A233 PolarHBondContact O-N 3.45Å; H230-L234 WeakPolarHBondContact O-CG 3.36Å; H230-L234 PolarHBondContact O-N 3.42Å
231	I	92.6	Very high	90	Very high	59 Å²	59	66 Å²	66	30%	0.303	34%	0.336	S	S	.	.	H	α-helix	trans	-64.7	-47.9	177.2	-66.3	-66.7	0	0	0	111	L205 I227 A233 L234 V235 P241	L205-I231 HydrophobicContact CD1-CD1 4.28Å; I227-I231 HydrophobicContact CG2-CG1 4.02Å; I227-I231 WeakPolarHBondContact O-CB 3.38Å; I227-I231 VanDerWaalsContact O-CG1 3.3Å; I227-I231 WeakPolarHBondContact O-CG1 3.35Å; I227-I231 PolarHBondContact O-N 3.06Å; I231-A233 VanDerWaalsContact C-N 3.29Å; I231-A233 PolarHBondContact O-N 3.26Å; I231-L234 PolarHBondContact O-N 3.45Å; I231-V235 HydrophobicContact CG2-CG2 4.4Å; I231-V235 VanDerWaalsContact O-CG2 3.3Å; I231-V235 WeakPolarHBondContact O-CG2 3.2Å; I231-V235 PolarHBondContact O-N 2.91Å; I231-P241 HydrophobicContact CD1-CG 3.97Å
232	R	92.5	Very high	89.9	Confident	165 Å²	165	62.5 Å²	62.5	62%	0.623	34%	0.343	S	S	*	.	H	α-helix	trans	-60.6	-39.4	178.3	-71.2	176.3	-148.7	159.3	5.7	112	S228 V235 A236	S228-R232 VanDerWaalsContact CB-NH2 3.34Å; S228-R232 VanDerWaalsContact O-CB 3.28Å; S228-R232 WeakPolarHBondContact O-CB 3.35Å; S228-R232 WeakPolarHBondContact O-CG 3.5Å; S228-R232 PolarHBondContact O-N 3.46Å; R232-V235 PolarHBondContact O-N 3.29Å; R232-A236 WeakPolarHBondContact O-CB 3.48Å; R232-A236 PolarHBondContact O-N 3.44Å
233	A	91.3	Very high	89.9	Confident	25 Å²	25	64.3 Å²	64.3	21%	0.207	35%	0.349	C	S	.	.	H	α-helix	trans	-67	-38.9	176.8	0	0	0	0	0	112.6	H201 L229 H230 I231 A236 L237	H201-A233 WeakPolarHBondContact CE1-CB 3.32Å; L229-A233 WeakPolarHBondContact O-CB 3.32Å; L229-A233 PolarHBondContact O-N 3.43Å; L229-A233 VanDerWaalsContact O-N 3.11Å; H230-A233 PolarHBondContact O-N 3.45Å; I231-A233 VanDerWaalsContact C-N 3.29Å; I231-A233 PolarHBondContact O-N 3.26Å; A233-A236 PolarHBondContact O-N 2.87Å; A233-L237 WeakPolarHBondContact O-CG 3.12Å; A233-L237 PolarHBondContact O-N 3.34Å; A233-L237 VanDerWaalsContact O-N 3.13Å
234	L	91.4	Very high	89.5	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-64.5	-41.9	173.5	-74.9	167.1	0	0	0	112	V198 H201 L205 H230 I231 A236 L237 G238 R239 P241 L246	V198-L234 HydrophobicContact CG1-CD2 4.11Å; V198-L234 HydrophobicContact CG2-CD2 4.42Å; H201-L234 HydrophobicContact CB-CD1 4.34Å; H201-L234 HydrophobicContact CB-CD2 3.95Å; H201-L234 HydrophobicContact CB-CG 3.95Å; L205-L234 HydrophobicContact CD1-CD1 3.92Å; H230-L234 WeakPolarHBondContact O-CG 3.36Å; H230-L234 PolarHBondContact O-N 3.42Å; I231-L234 PolarHBondContact O-N 3.45Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 3.09Å; L234-L237 PolarHBondContact O-N 3.25Å; L234-L237 VanDerWaalsContact O-N 3.12Å; L234-G238 PolarHBondContact O-N 3.35Å; L234-R239 HydrophobicContact CD2-CB 4.38Å; L234-R239 CarbonylContact O-C 3.51Å; L234-R239 WeakPolarHBondContact O-CA 3.31Å; L234-R239 WeakPolarHBondContact O-CB 3.1Å; L234-R239 PolarHBondContact O-N 2.84Å; L234-P241 HydrophobicContact CD1-CG 4.49Å; L234-L246 HydrophobicContact CD1-CD2 4.19Å
235	V	90.4	Very high	89.4	Confident	61 Å²	61	67 Å²	67	37%	0.37	37%	0.367	S	S	.	.	H	α-helix	trans	-59.6	-44.5	173.8	174.7	0	0	0	0	110.7	I231 R232 L237 G238 D240	I231-V235 HydrophobicContact CG2-CG2 4.4Å; I231-V235 VanDerWaalsContact O-CG2 3.3Å; I231-V235 WeakPolarHBondContact O-CG2 3.2Å; I231-V235 PolarHBondContact O-N 2.91Å; R232-V235 PolarHBondContact O-N 3.29Å; V235-L237 PolarHBondContact O-N 3.28Å; V235-G238 PolarHBondContact O-N 2.85Å; V235-D240 HydrophobicContact CB-CB 4.49Å; V235-D240 HydrophobicContact CG1-CB 4.47Å; V235-D240 HydrophobicContact CG2-CB 3.94Å
236	A	86.8	Confident	89.3	Confident	83 Å²	83	64.2 Å²	64.2	69%	0.686	35%	0.353	S	S	*	.	H	α-helix	trans	-63.2	-25.3	177.1	0	0	0	0	0	113.5	R232 A233 L234 G238	R232-A236 WeakPolarHBondContact O-CB 3.48Å; R232-A236 PolarHBondContact O-N 3.44Å; A233-A236 PolarHBondContact O-N 2.87Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 3.09Å; A236-G238 VanDerWaalsContact C-N 3.29Å
237	L	87.3	Confident	89	Confident	47 Å²	47	63 Å²	63	25%	0.246	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	4.6	174.7	-68.9	165.9	0	0	0	113.6	T133 I197 V198 A233 L234 V235 R239	T133-L237 HydrophobicContact CG2-CD2 4.41Å; I197-L237 HydrophobicContact CB-CD1 4.47Å; I197-L237 HydrophobicContact CG2-CD1 3.58Å; I197-L237 HydrophobicContact CG2-CD2 4.37Å; V198-L237 HydrophobicContact CG2-CD1 4.31Å; A233-L237 WeakPolarHBondContact O-CG 3.12Å; A233-L237 PolarHBondContact O-N 3.34Å; A233-L237 VanDerWaalsContact O-N 3.13Å; L234-L237 PolarHBondContact O-N 3.25Å; L234-L237 VanDerWaalsContact O-N 3.12Å; V235-L237 PolarHBondContact O-N 3.28Å; L237-R239 VanDerWaalsContact C-N 3.33Å
238	G	88.3	Confident	88.7	Confident	34 Å²	34	63.6 Å²	63.6	35%	0.351	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	36.8	-173.9	0	0	0	0	0	112.3	L234 V235 A236 E245	L234-G238 PolarHBondContact O-N 3.35Å; V235-G238 PolarHBondContact O-N 2.85Å; A236-G238 VanDerWaalsContact C-N 3.29Å; G238-E245 VanDerWaalsContact C-OE2 3.31Å
239	R	88.9	Confident	88.3	Confident	82 Å²	82	64 Å²	64	31%	0.309	37%	0.37	S	S	.	.			trans	-129.9	48.4	177.2	-68.7	-65.1	-175.5	-78.4	-4.3	109.5	V198 L234 L237 P241 E245 L246 E250	V198-R239 HydrophobicContact CG2-CG 3.98Å; L234-R239 HydrophobicContact CD2-CB 4.38Å; L234-R239 CarbonylContact O-C 3.51Å; L234-R239 WeakPolarHBondContact O-CA 3.31Å; L234-R239 WeakPolarHBondContact O-CB 3.1Å; L234-R239 PolarHBondContact O-N 2.84Å; L237-R239 VanDerWaalsContact C-N 3.33Å; R239-P241 WeakPolarHBondContact O-CD 3.3Å; R239-E245 VanDerWaalsContact CD-O 3.28Å; R239-E245 WeakPolarHBondContact CD-O 3.36Å; R239-L246 HydrophobicContact CB-CB 4.17Å; R239-L246 HydrophobicContact CB-CD1 4.32Å; R239-E250 IonicContact CZ-OE1 2.81Å; R239-E250 IonicContact NE-OE1 2.82Å; R239-E250 PolarHBondContact NE-OE1 3.13Å; R239-E250 IonicContact NE-OE2 2.74Å; R239-E250 IonicContact NH2-OE1 3.12Å
240	D	90.6	Very high	88	Confident	18 Å²	18	62.4 Å²	62.4	10%	0.096	36%	0.36	C	S	.	.			trans	-63.8	112.9	176.7	-172.3	-13.9	0	0	0	110.7	V235 A242 K243 E245	V235-D240 HydrophobicContact CB-CB 4.49Å; V235-D240 HydrophobicContact CG1-CB 4.47Å; V235-D240 HydrophobicContact CG2-CB 3.94Å; D240-A242 PolarHBondContact O-N 2.95Å; D240-A242 WeakPolarHBondContact OD1-CB 3.5Å; D240-A242 PolarHBondContact OD1-N 2.81Å; D240-K243 HydrophobicContact CB-CB 4.16Å; D240-K243 HydrophobicContact CB-CD 4.25Å; D240-K243 HydrophobicContact CB-CG 4.27Å; D240-K243 PolarHBondContact O-N 3.47Å; D240-K243 WeakPolarHBondContact OD2-CD 3.28Å; D240-K243 WeakPolarHBondContact OD2-CE 3.33Å; D240-K243 WeakPolarHBondContact OD2-CG 3.46Å; D240-K243 IonicContact OD2-NZ 2.63Å; D240-E245 WeakPolarHBondContact CB-OE2 3.24Å; D240-E245 PolarHBondContact N-OE2 3.43Å; D240-E245 PolarHBondContact O-N 2.76Å; D240-E245 VanDerWaalsContact O-N 3.13Å
241	P	82.8	Confident	87.7	Confident	46 Å²	46	64.8 Å²	64.8	30%	0.299	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-64.9	-24.8	178.8	-19	33.7	0	0	0	112.8	I231 L234 R239 K243 L246	I231-P241 HydrophobicContact CD1-CG 3.97Å; L234-P241 HydrophobicContact CD1-CG 4.49Å; R239-P241 WeakPolarHBondContact O-CD 3.3Å; P241-K243 VanDerWaalsContact C-N 3.34Å; P241-L246 HydrophobicContact CG-CB 4.45Å; P241-L246 HydrophobicContact CG-CD2 4.12Å
242	A	83.1	Confident	87.6	Confident	91 Å²	91	65 Å²	65	75%	0.752	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-77.3	-20.9	179.5	0	0	0	0	0	112.9	D240	D240-A242 PolarHBondContact O-N 2.95Å; D240-A242 WeakPolarHBondContact OD1-CB 3.5Å; D240-A242 PolarHBondContact OD1-N 2.81Å
243	K	86.3	Confident	87.4	Confident	143 Å²	143	57.9 Å²	57.9	62%	0.622	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-102.9	11.9	178.5	-63.4	179.3	-174	173.4	0	113.6	D240 P241 E245	D240-K243 HydrophobicContact CB-CB 4.16Å; D240-K243 HydrophobicContact CB-CD 4.25Å; D240-K243 HydrophobicContact CB-CG 4.27Å; D240-K243 PolarHBondContact O-N 3.47Å; D240-K243 WeakPolarHBondContact OD2-CD 3.28Å; D240-K243 WeakPolarHBondContact OD2-CE 3.33Å; D240-K243 WeakPolarHBondContact OD2-CG 3.46Å; D240-K243 IonicContact OD2-NZ 2.63Å; P241-K243 VanDerWaalsContact C-N 3.34Å; K243-E245 HydrophobicContact CB-CG 4.06Å; K243-E245 PolarHBondContact O-N 3.4Å
244	N	80	Confident	87.4	Confident	147 Å²	147	56.9 Å²	56.9	79%	0.786	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	24.1	-174.1	-64.4	-18.2	0	0	0	114.3
245	E	89.2	Confident	87.4	Confident	85 Å²	85	58.7 Å²	58.7	40%	0.397	35%	0.35	S	S	.	.			trans	-80.2	-29.9	177.2	-66.3	173.4	175.4	0	0	111.9	G238 R239 D240 K243	G238-E245 VanDerWaalsContact C-OE2 3.31Å; R239-E245 VanDerWaalsContact CD-O 3.28Å; R239-E245 WeakPolarHBondContact CD-O 3.36Å; D240-E245 WeakPolarHBondContact CB-OE2 3.24Å; D240-E245 PolarHBondContact N-OE2 3.43Å; D240-E245 PolarHBondContact O-N 2.76Å; D240-E245 VanDerWaalsContact O-N 3.13Å; K243-E245 HydrophobicContact CB-CG 4.06Å; K243-E245 PolarHBondContact O-N 3.4Å
246	L	89.2	Confident	87.4	Confident	14 Å²	14	58.9 Å²	58.9	7%	0.073	35%	0.347	C	S	.	.	S	Bend	trans	-87	107.8	166	-177.1	63.7	0	0	0	109	V198 V202 L234 R239 P241 E250 I251	V198-L246 HydrophobicContact CG1-CD1 3.78Å; V202-L246 HydrophobicContact CG2-CD2 4.39Å; L234-L246 HydrophobicContact CD1-CD2 4.19Å; R239-L246 HydrophobicContact CB-CB 4.17Å; R239-L246 HydrophobicContact CB-CD1 4.32Å; P241-L246 HydrophobicContact CG-CB 4.45Å; P241-L246 HydrophobicContact CG-CD2 4.12Å; L246-E250 HydrophobicContact CD1-CB 3.91Å; L246-I251 HydrophobicContact CD2-CD1 3.88Å; L246-I251 HydrophobicContact CD2-CG1 3.82Å; L246-I251 HydrophobicContact CG-CD1 4.12Å; L246-I251 HydrophobicContact CG-CG1 3.95Å
247	S	85.8	Confident	87.5	Confident	46 Å²	46	55.9 Å²	55.9	32%	0.322	32%	0.318	S	S	.	.			trans	-70.7	148.4	-177.1	66.2	0	0	0	0	111.8	A249 E250 I251	S247-A249 PolarHBondContact O-N 2.88Å; S247-A249 VanDerWaalsContact O-N 3.16Å; S247-E250 PolarHBondContact N-OE2 3.34Å; S247-E250 PolarHBondContact O-N 3.11Å; S247-E250 VanDerWaalsContact O-N 3.11Å; S247-E250 WeakPolarHBondContact OG-CG 3.42Å; S247-E250 PolarHBondContact OG-N 3.36Å; S247-E250 VanDerWaalsContact OG-N 3.14Å; S247-E250 PolarHBondContact OG-OE2 3.46Å; S247-I251 PolarHBondContact O-N 3.11Å
248	A	84.7	Confident	87.6	Confident	69 Å²	69	57.7 Å²	57.7	57%	0.57	33%	0.325	S	S	*	.	H	α-helix	trans	-56.5	-30.8	170.1	0	0	0	0	0	111.7	I251 L252	A248-I251 PolarHBondContact O-N 2.9Å; A248-L252 VanDerWaalsContact O-CB 3.28Å; A248-L252 WeakPolarHBondContact O-CB 3.47Å; A248-L252 WeakPolarHBondContact O-CG 3.33Å; A248-L252 PolarHBondContact O-N 3.4Å
249	A	85.4	Confident	87.6	Confident	29 Å²	29	64.5 Å²	64.5	24%	0.24	34%	0.34	C	S	.	.	H	α-helix	trans	-62.2	-45.9	175	0	0	0	0	0	112.5	S247 I251 L252 L253 L282	S247-A249 PolarHBondContact O-N 2.88Å; S247-A249 VanDerWaalsContact O-N 3.16Å; A249-I251 PolarHBondContact O-N 3.5Å; A249-L252 PolarHBondContact O-N 2.91Å; A249-L253 VanDerWaalsContact O-CB 3.29Å; A249-L253 WeakPolarHBondContact O-CB 3.45Å; A249-L253 WeakPolarHBondContact O-CG 3.17Å; A249-L253 PolarHBondContact O-N 3.42Å; A249-L282 HydrophobicContact CB-CD1 4.18Å; A249-L282 HydrophobicContact CB-CG 4.03Å
250	E	86.5	Confident	87.6	Confident	53 Å²	53	61.1 Å²	61.1	25%	0.248	33%	0.328	C	S	.	.	H	α-helix	trans	-61.5	-42.4	177.4	-76.9	162.5	122.1	0	0	111.9	R239 L246 S247 T254	R239-E250 IonicContact CZ-OE1 2.81Å; R239-E250 IonicContact NE-OE1 2.82Å; R239-E250 PolarHBondContact NE-OE1 3.13Å; R239-E250 IonicContact NE-OE2 2.74Å; R239-E250 IonicContact NH2-OE1 3.12Å; L246-E250 HydrophobicContact CD1-CB 3.91Å; S247-E250 PolarHBondContact N-OE2 3.34Å; S247-E250 PolarHBondContact O-N 3.11Å; S247-E250 VanDerWaalsContact O-N 3.11Å; S247-E250 WeakPolarHBondContact OG-CG 3.42Å; S247-E250 PolarHBondContact OG-N 3.36Å; S247-E250 VanDerWaalsContact OG-N 3.14Å; S247-E250 PolarHBondContact OG-OE2 3.46Å; E250-T254 PolarHBondContact O-N 2.73Å; E250-T254 VanDerWaalsContact O-N 3.15Å; E250-T254 PolarHBondContact O-OG1 3.01Å
251	I	88.3	Confident	87.5	Confident	63 Å²	63	63.6 Å²	63.6	32%	0.323	35%	0.345	S	S	.	.	H	α-helix	trans	-64.2	-49.8	176.7	-59.8	171.7	0	0	0	110.1	V202 L246 S247 A248 A249 T254 V255	V202-I251 HydrophobicContact CG1-CG2 4.37Å; L246-I251 HydrophobicContact CD2-CD1 3.88Å; L246-I251 HydrophobicContact CD2-CG1 3.82Å; L246-I251 HydrophobicContact CG-CD1 4.12Å; L246-I251 HydrophobicContact CG-CG1 3.95Å; S247-I251 PolarHBondContact O-N 3.11Å; A248-I251 PolarHBondContact O-N 2.9Å; A249-I251 PolarHBondContact O-N 3.5Å; I251-T254 WeakPolarHBondContact O-CB 3.5Å; I251-T254 PolarHBondContact O-N 3.45Å; I251-V255 WeakPolarHBondContact O-CG2 3.08Å; I251-V255 PolarHBondContact O-N 2.73Å
252	L	90.1	Very high	87.6	Confident	65 Å²	65	67.4 Å²	67.4	34%	0.34	36%	0.359	S	S	.	.	H	α-helix	trans	-65.2	-40.1	-178.5	-73.2	173	0	0	0	112.4	A248 A249 T254 V255 F256 L282	A248-L252 VanDerWaalsContact O-CB 3.28Å; A248-L252 WeakPolarHBondContact O-CB 3.47Å; A248-L252 WeakPolarHBondContact O-CG 3.33Å; A248-L252 PolarHBondContact O-N 3.4Å; A249-L252 PolarHBondContact O-N 2.91Å; L252-T254 VanDerWaalsContact C-N 3.3Å; L252-T254 PolarHBondContact O-N 3.26Å; L252-V255 PolarHBondContact O-N 2.97Å; L252-F256 HydrophobicContact CB-CD2 4.41Å; L252-F256 HydrophobicContact CB-CE2 4Å; L252-F256 HydrophobicContact CB-CZ 4.11Å; L252-F256 HydrophobicContact CD2-CE1 4.1Å; L252-F256 HydrophobicContact CD2-CZ 3.92Å; L252-F256 HydrophobicContact CG-CZ 4.42Å; L252-F256 WeakPolarHBondContact O-CB 3.5Å; L252-F256 WeakPolarHBondContact O-CD2 3.42Å; L252-F256 WeakPolarHBondContact O-CG 3.34Å; L252-F256 PolarHBondContact O-N 2.95Å; L252-L282 HydrophobicContact CB-CD2 4.05Å; L252-L282 HydrophobicContact CD1-CD1 4.17Å
253	L	89.4	Confident	87.9	Confident	14 Å²	14	69.5 Å²	69.5	7%	0.073	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-41.5	174.8	-75.6	171.6	0	0	0	111.4	A249 K257 W268 A280 L282 F285	A249-L253 VanDerWaalsContact O-CB 3.29Å; A249-L253 WeakPolarHBondContact O-CB 3.45Å; A249-L253 WeakPolarHBondContact O-CG 3.17Å; A249-L253 PolarHBondContact O-N 3.42Å; L253-K257 WeakPolarHBondContact O-CB 3.29Å; L253-K257 PolarHBondContact O-N 3.4Å; L253-W268 HydrophobicContact CD2-CZ2 4.15Å; L253-A280 HydrophobicContact CD1-CB 3.77Å; L253-A280 WeakPolarHBondContact CD1-O 3.49Å; L253-L282 HydrophobicContact CD2-CD2 4.01Å; L253-L282 HydrophobicContact CG-CD2 4Å; L253-F285 HydrophobicContact CD2-CB 3.49Å; L253-F285 VanDerWaalsContact CD2-CB 3.49Å; L253-F285 HydrophobicContact CD2-CD2 4.07Å; L253-F285 HydrophobicContact CD2-CG 3.79Å
254	T	90.2	Very high	88.1	Confident	4 Å²	4	64 Å²	64	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-61.5	-47.1	174.3	-51.6	0	0	0	0	110.7	E199 V202 K203 E250 I251 L252 E258	E199-T254 HydrophobicContact CB-CG2 4.24Å; E199-T254 HydrophobicContact CG-CG2 4.21Å; V202-T254 HydrophobicContact CB-CG2 4.14Å; V202-T254 HydrophobicContact CG1-CG2 3.83Å; K203-T254 HydrophobicContact CG-CG2 3.94Å; E250-T254 PolarHBondContact O-N 2.73Å; E250-T254 VanDerWaalsContact O-N 3.15Å; E250-T254 PolarHBondContact O-OG1 3.01Å; I251-T254 WeakPolarHBondContact O-CB 3.5Å; I251-T254 PolarHBondContact O-N 3.45Å; L252-T254 VanDerWaalsContact C-N 3.3Å; L252-T254 PolarHBondContact O-N 3.26Å; T254-E258 WeakPolarHBondContact O-CG 3.38Å; T254-E258 PolarHBondContact O-N 3.46Å
255	V	91.3	Very high	88.5	Confident	38 Å²	38	59.2 Å²	59.2	23%	0.23	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-46.9	178.7	172.6	0	0	0	0	111.9	L206 I251 L252 E258 R259	L206-V255 HydrophobicContact CD1-CG2 3.64Å; L206-V255 HydrophobicContact CD2-CG2 4.39Å; I251-V255 WeakPolarHBondContact O-CG2 3.08Å; I251-V255 PolarHBondContact O-N 2.73Å; L252-V255 PolarHBondContact O-N 2.97Å; V255-E258 PolarHBondContact O-N 2.93Å; V255-R259 WeakPolarHBondContact O-CG 3.37Å; V255-R259 PolarHBondContact O-N 2.97Å
256	F	91.5	Very high	88.3	Confident	66 Å²	66	60.6 Å²	60.6	29%	0.289	30%	0.303	S	S	.	.	H	α-helix	trans	-68	-41	-176.8	-64.2	-18.9	0	0	0	111.8	L252 E258 R259 L260 L282 F285 F286	L252-F256 HydrophobicContact CB-CD2 4.41Å; L252-F256 HydrophobicContact CB-CE2 4Å; L252-F256 HydrophobicContact CB-CZ 4.11Å; L252-F256 HydrophobicContact CD2-CE1 4.1Å; L252-F256 HydrophobicContact CD2-CZ 3.92Å; L252-F256 HydrophobicContact CG-CZ 4.42Å; L252-F256 WeakPolarHBondContact O-CB 3.5Å; L252-F256 WeakPolarHBondContact O-CD2 3.42Å; L252-F256 WeakPolarHBondContact O-CG 3.34Å; L252-F256 PolarHBondContact O-N 2.95Å; F256-E258 VanDerWaalsContact C-N 3.3Å; F256-E258 PolarHBondContact O-N 3.06Å; F256-R259 WeakPolarHBondContact O-CB 3.35Å; F256-R259 PolarHBondContact O-N 2.79Å; F256-L260 PolarHBondContact O-N 2.86Å; F256-L282 HydrophobicContact CD2-CD2 4.18Å; F256-L282 HydrophobicContact CE2-CD2 3.89Å; F256-F285 HydrophobicContact CB-CD1 4.33Å; F256-F285 HydrophobicContact CB-CE1 3.48Å; F256-F285 VanDerWaalsContact CB-CE1 3.48Å; F256-F285 HydrophobicContact CB-CE2 4.45Å; F256-F285 HydrophobicContact CB-CZ 3.55Å; F256-F285 HydrophobicContact CD2-CD1 4.04Å; F256-F285 AromaticContact CD2-CE1 3.87Å; F256-F285 HydrophobicContact CD2-CE1 3.87Å; F256-F285 HydrophobicContact CG-CE1 4.06Å; F256-F286 HydrophobicContact CE2-CZ 4.32Å
257	K	88.6	Confident	88.3	Confident	19 Å²	19	60.7 Å²	60.7	8%	0.083	31%	0.305	C	S	.	.	H	α-helix	trans	-56.6	-43.6	173.8	176.5	-177.5	161.9	-171.8	0	111.6	E199 L253 R259 L260 Q265 E269	E199-K257 IonicContact OE1-NZ 3.97Å; E199-K257 IonicContact OE2-NZ 3.79Å; E199-K257 PolarHBondContact OE2-NZ 3Å; L253-K257 WeakPolarHBondContact O-CB 3.29Å; L253-K257 PolarHBondContact O-N 3.4Å; K257-R259 PolarHBondContact O-N 3.41Å; K257-L260 WeakPolarHBondContact O-CB 3.4Å; K257-L260 PolarHBondContact O-N 3.44Å; K257-L260 VanDerWaalsContact O-N 3.15Å; K257-Q265 HydrophobicContact CG-CG 4.35Å; K257-Q265 VanDerWaalsContact O-CG 3.3Å; K257-Q265 WeakPolarHBondContact O-CG 3.48Å; K257-Q265 PolarHBondContact O-NE2 3.33Å; K257-E269 VanDerWaalsContact CE-OE1 3.31Å; K257-E269 WeakPolarHBondContact CE-OE1 3.33Å; K257-E269 IonicContact NZ-OE1 2.69Å; K257-E269 PolarHBondContact NZ-OE1 3.48Å
258	E	88.4	Confident	88.5	Confident	85 Å²	85	58.7 Å²	58.7	40%	0.397	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.2	178.3	-67.9	-61.1	106.9	0	0	113.9	K203 T254 V255 F256	K203-E258 WeakPolarHBondContact CE-OE1 3.19Å; K203-E258 IonicContact NZ-OE1 3.93Å; K203-E258 PolarHBondContact NZ-OE1 2.71Å; K203-E258 IonicContact NZ-OE2 2.83Å; K203-E258 PolarHBondContact NZ-OE2 3.1Å; T254-E258 WeakPolarHBondContact O-CG 3.38Å; T254-E258 PolarHBondContact O-N 3.46Å; V255-E258 PolarHBondContact O-N 2.93Å; F256-E258 VanDerWaalsContact C-N 3.3Å; F256-E258 PolarHBondContact O-N 3.06Å
259	R	89	Confident	88.6	Confident	178 Å²	178	57.6 Å²	57.6	67%	0.672	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-23.3	173.3	-61.9	-57.1	-177.8	131.1	-2.1	113.1	V255 F256 K257	V255-R259 WeakPolarHBondContact O-CG 3.37Å; V255-R259 PolarHBondContact O-N 2.97Å; F256-R259 WeakPolarHBondContact O-CB 3.35Å; F256-R259 PolarHBondContact O-N 2.79Å; K257-R259 PolarHBondContact O-N 3.41Å
260	L	89.6	Confident	88.5	Confident	10 Å²	10	62.7 Å²	62.7	5%	0.052	29%	0.293	C	S	.	.	S	Bend	trans	-68.4	145.9	177.2	-68.5	178.3	0	0	0	111.3	F256 K257 L264 Q265 F285 F288 L289	F256-L260 PolarHBondContact O-N 2.86Å; K257-L260 WeakPolarHBondContact O-CB 3.4Å; K257-L260 PolarHBondContact O-N 3.44Å; K257-L260 VanDerWaalsContact O-N 3.15Å; L260-L264 HydrophobicContact CB-CB 4.14Å; L260-L264 HydrophobicContact CD1-CB 4.28Å; L260-L264 HydrophobicContact CD2-CB 4.39Å; L260-L264 HydrophobicContact CD2-CD1 4.26Å; L260-Q265 HydrophobicContact CB-CG 3.96Å; L260-Q265 WeakPolarHBondContact O-CG 3.4Å; L260-Q265 PolarHBondContact O-NE2 2.96Å; L260-F285 HydrophobicContact CD1-CE2 3.72Å; L260-F285 HydrophobicContact CD1-CZ 3.74Å; L260-F285 HydrophobicContact CG-CZ 4.2Å; L260-F288 HydrophobicContact CD1-CE1 4.09Å; L260-L289 HydrophobicContact CD2-CD1 4.29Å; L260-L289 HydrophobicContact CD2-CG 4.46Å
261	P	87.7	Confident	88.4	Confident	71 Å²	71	63.2 Å²	63.2	46%	0.461	29%	0.292	S	S	.	.			trans	-57.7	150.7	167.4	-21	31	0	0	0	111.6	R263 L264 Q265	P261-R263 PolarHBondContact O-N 2.85Å; P261-L264 PolarHBondContact O-N 2.82Å; P261-Q265 PolarHBondContact O-N 3.05Å
262	E	85.8	Confident	88.1	Confident	126 Å²	126	61.1 Å²	61.1	59%	0.589	28%	0.282	S	S	*	.	H	α-helix	trans	-51.7	-35.5	-177.3	-164.1	-167	146.7	0	0	113.2	L264 Q265 K266	E262-L264 PolarHBondContact O-N 2.92Å; E262-Q265 PolarHBondContact O-N 2.92Å; E262-K266 WeakPolarHBondContact O-CG 3.33Å; E262-K266 PolarHBondContact O-N 3.02Å; E262-K266 VanDerWaalsContact OE1-CE 3.29Å; E262-K266 WeakPolarHBondContact OE1-CE 3.42Å; E262-K266 IonicContact OE1-NZ 3.77Å; E262-K266 PolarHBondContact OE1-NZ 2.77Å
263	R	88.6	Confident	87.3	Confident	134 Å²	134	62.4 Å²	62.4	51%	0.506	30%	0.296	S	S	.	.	H	α-helix	trans	-58.3	-44.6	174.6	-171.1	-177.2	92.9	76.9	-4.2	112.4	P261 A267 E296	P261-R263 PolarHBondContact O-N 2.85Å; R263-A267 PolarHBondContact O-N 3.03Å; R263-A267 VanDerWaalsContact O-N 3.16Å; R263-E296 IonicContact CZ-OE1 2.69Å; R263-E296 IonicContact NH2-OE1 3.82Å; R263-E296 PolarHBondContact NH2-OE1 3.35Å
264	L	90.4	Very high	86.4	Confident	28 Å²	28	66 Å²	66	15%	0.147	32%	0.323	C	S	.	.	H	α-helix	trans	-82	-28	-178.9	-62.8	-172.8	0	0	0	112	L260 P261 E262 K266 A267 W268 F288 Q292	L260-L264 HydrophobicContact CB-CB 4.14Å; L260-L264 HydrophobicContact CD1-CB 4.28Å; L260-L264 HydrophobicContact CD2-CB 4.39Å; L260-L264 HydrophobicContact CD2-CD1 4.26Å; P261-L264 PolarHBondContact O-N 2.82Å; E262-L264 PolarHBondContact O-N 2.92Å; L264-K266 VanDerWaalsContact C-N 3.31Å; L264-A267 PolarHBondContact O-N 3.36Å; L264-W268 WeakPolarHBondContact O-CB 3.4Å; L264-W268 PolarHBondContact O-N 2.89Å; L264-F288 WeakPolarHBondContact O-CZ 3.16Å; L264-Q292 HydrophobicContact CD2-CB 4.27Å; L264-Q292 HydrophobicContact CD2-CG 4.01Å
265	Q	89.1	Confident	85.2	Confident	47 Å²	47	66.9 Å²	66.9	22%	0.22	33%	0.33	C	S	.	.	H	α-helix	trans	-59.6	-44.4	168	-65.4	-175.7	21.8	0	0	111.1	K257 L260 P261 E262 W268 E269	K257-Q265 HydrophobicContact CG-CG 4.35Å; K257-Q265 VanDerWaalsContact O-CG 3.3Å; K257-Q265 WeakPolarHBondContact O-CG 3.48Å; K257-Q265 PolarHBondContact O-NE2 3.33Å; L260-Q265 HydrophobicContact CB-CG 3.96Å; L260-Q265 WeakPolarHBondContact O-CG 3.4Å; L260-Q265 PolarHBondContact O-NE2 2.96Å; P261-Q265 PolarHBondContact O-N 3.05Å; E262-Q265 PolarHBondContact O-N 2.92Å; Q265-W268 PolarHBondContact O-N 3.49Å; Q265-E269 WeakPolarHBondContact O-CG 3.22Å; Q265-E269 PolarHBondContact O-N 2.86Å
266	K	85.6	Confident	83.8	Confident	114 Å²	114	71.8 Å²	71.8	50%	0.496	36%	0.36	S	S	.	.	H	α-helix	trans	-61.1	-48.6	174.7	-74.4	168.2	172	165	0	111.7	E262 L264 W268 E269 E270	E262-K266 WeakPolarHBondContact O-CG 3.33Å; E262-K266 PolarHBondContact O-N 3.02Å; E262-K266 VanDerWaalsContact OE1-CE 3.29Å; E262-K266 WeakPolarHBondContact OE1-CE 3.42Å; E262-K266 IonicContact OE1-NZ 3.77Å; E262-K266 PolarHBondContact OE1-NZ 2.77Å; L264-K266 VanDerWaalsContact C-N 3.31Å; K266-W268 VanDerWaalsContact C-N 3.28Å; K266-W268 PolarHBondContact O-N 3.18Å; K266-E269 PolarHBondContact O-N 2.95Å; K266-E270 WeakPolarHBondContact O-CG 3.47Å; K266-E270 PolarHBondContact O-N 2.86Å
267	A	87.7	Confident	82.3	Confident	16 Å²	16	72.5 Å²	72.5	13%	0.132	39%	0.386	C	S	.	.	H	α-helix	trans	-62.4	-33.7	177.8	0	0	0	0	0	113	R263 L264 E270 R271 F288	R263-A267 PolarHBondContact O-N 3.03Å; R263-A267 VanDerWaalsContact O-N 3.16Å; L264-A267 PolarHBondContact O-N 3.36Å; A267-E270 PolarHBondContact O-N 2.83Å; A267-R271 PolarHBondContact O-N 2.9Å; A267-F288 HydrophobicContact CB-CE2 3.91Å; A267-F288 HydrophobicContact CB-CZ 3.88Å
268	W	90.5	Very high	81.2	Confident	4 Å²	4	78.1 Å²	78.1	2%	0.015	41%	0.412	C	S	.	.	H	α-helix	trans	-68.3	-43.3	174.8	176.8	-123	0	0	0	111.9	L253 L264 Q265 K266 E270 R271 L272 M284 F285 F288	L253-W268 HydrophobicContact CD2-CZ2 4.15Å; L264-W268 WeakPolarHBondContact O-CB 3.4Å; L264-W268 PolarHBondContact O-N 2.89Å; Q265-W268 PolarHBondContact O-N 3.49Å; K266-W268 VanDerWaalsContact C-N 3.28Å; K266-W268 PolarHBondContact O-N 3.18Å; W268-E270 VanDerWaalsContact C-N 3.31Å; W268-E270 PolarHBondContact O-N 2.9Å; W268-R271 HydrophobicContact CE3-CB 4.49Å; W268-R271 PolarHBondContact O-N 2.81Å; W268-L272 HydrophobicContact CD2-CD1 4.09Å; W268-L272 HydrophobicContact CD2-CG 4.24Å; W268-L272 VanDerWaalsContact CE2-CD1 3.47Å; W268-L272 HydrophobicContact CG-CD1 4.33Å; W268-L272 HydrophobicContact CH2-CD2 4.16Å; W268-L272 HydrophobicContact CH2-CG 4.37Å; W268-L272 HydrophobicContact CZ2-CD1 3.81Å; W268-L272 HydrophobicContact CZ2-CD2 3.9Å; W268-L272 HydrophobicContact CZ2-CG 3.97Å; W268-L272 WeakPolarHBondContact O-CG 3.49Å; W268-L272 PolarHBondContact O-N 3.2Å; W268-M284 HydrophobicContact CH2-CB 4.43Å; W268-M284 HydrophobicContact CH2-CE 3.54Å; W268-M284 HydrophobicContact CH2-CG 4.1Å; W268-M284 HydrophobicContact CZ2-CE 4.21Å; W268-M284 HydrophobicContact CZ3-CE 4.24Å; W268-M284 HydrophobicContact CZ3-CG 4.22Å; W268-F285 AromaticContact CD2-CD2 3.76Å; W268-F285 HydrophobicContact CD2-CD2 3.76Å; W268-F285 HydrophobicContact CD2-CE2 4.2Å; W268-F285 AromaticContact CE2-CD2 3.52Å; W268-F285 HydrophobicContact CE3-CD2 4.05Å; W268-F285 HydrophobicContact CG-CD2 4.38Å; W268-F285 HydrophobicContact CG-CE2 4.35Å; W268-F285 VanDerWaalsContact CH2-CA 3.46Å; W268-F285 HydrophobicContact CH2-CB 3.69Å; W268-F285 AromaticContact CH2-CD2 3.91Å; W268-F285 HydrophobicContact CH2-CD2 3.91Å; W268-F285 HydrophobicContact CH2-CG 4.31Å; W268-F285 HydrophobicContact CZ2-CB 3.97Å; W268-F285 AromaticContact CZ2-CD2 3.62Å; W268-F285 HydrophobicContact CZ2-CD2 3.62Å; W268-F285 HydrophobicContact CZ2-CG 4.28Å; W268-F285 HydrophobicContact CZ3-CB 4.24Å; W268-F285 HydrophobicContact CZ3-CD2 4.12Å; W268-F285 AromaticContact NE1-CD2 3.95Å; W268-F288 HydrophobicContact CB-CD1 4.35Å; W268-F288 HydrophobicContact CB-CE1 3.76Å; W268-F288 HydrophobicContact CB-CE2 4.29Å; W268-F288 HydrophobicContact CB-CZ 3.73Å; W268-F288 HydrophobicContact CD2-CD1 4.26Å; W268-F288 HydrophobicContact CD2-CG 4.47Å; W268-F288 HydrophobicContact CE3-CB 3.68Å; W268-F288 AromaticContact CE3-CD1 3.58Å; W268-F288 HydrophobicContact CE3-CD1 3.58Å; W268-F288 AromaticContact CE3-CD2 3.9Å; W268-F288 HydrophobicContact CE3-CD2 3.9Å; W268-F288 HydrophobicContact CE3-CE1 4.19Å; W268-F288 HydrophobicContact CE3-CE2 4.45Å; W268-F288 AromaticContact CE3-CG 3.42Å; W268-F288 HydrophobicContact CE3-CG 3.42Å; W268-F288 VanDerWaalsContact CE3-CG 3.42Å; W268-F288 HydrophobicContact CG-CE1 4.42Å; W268-F288 HydrophobicContact CZ3-CB 3.56Å; W268-F288 HydrophobicContact CZ3-CD1 4.27Å; W268-F288 AromaticContact CZ3-CG 3.89Å; W268-F288 HydrophobicContact CZ3-CG 3.89Å
269	E	87.1	Confident	80.3	Confident	45 Å²	45	83.1 Å²	83.1	21%	0.21	43%	0.433	C	S	.	.	H	α-helix	trans	-64.4	-35.9	174.6	-74.8	-61.9	164.4	0	0	112.6	R195 K257 Q265 K266 L272 S273	R195-E269 IonicContact CZ-OE2 3.68Å; R195-E269 IonicContact NH2-OE1 2.71Å; R195-E269 PolarHBondContact NH2-OE1 2.98Å; R195-E269 IonicContact NH2-OE2 3.1Å; R195-E269 PolarHBondContact NH2-OE2 3.2Å; K257-E269 VanDerWaalsContact CE-OE1 3.31Å; K257-E269 WeakPolarHBondContact CE-OE1 3.33Å; K257-E269 IonicContact NZ-OE1 2.69Å; K257-E269 PolarHBondContact NZ-OE1 3.48Å; Q265-E269 WeakPolarHBondContact O-CG 3.22Å; Q265-E269 PolarHBondContact O-N 2.86Å; K266-E269 PolarHBondContact O-N 2.95Å; E269-L272 PolarHBondContact O-N 3.17Å; E269-S273 WeakPolarHBondContact O-CB 3.43Å; E269-S273 PolarHBondContact O-N 2.99Å; E269-S273 PolarHBondContact O-OG 3.15Å
270	E	83.2	Confident	79.7	Confident	136 Å²	136	76 Å²	76	64%	0.636	41%	0.412	S	S	*	.	H	α-helix	trans	-62.9	-46.4	172.2	-75.2	170.3	-173.8	0	0	111.2	K266 A267 W268 L272 S273 S274	K266-E270 WeakPolarHBondContact O-CG 3.47Å; K266-E270 PolarHBondContact O-N 2.86Å; A267-E270 PolarHBondContact O-N 2.83Å; W268-E270 VanDerWaalsContact C-N 3.31Å; W268-E270 PolarHBondContact O-N 2.9Å; E270-L272 PolarHBondContact O-N 3.21Å; E270-S273 PolarHBondContact O-N 3.02Å; E270-S274 PolarHBondContact O-N 3.22Å; E270-S274 PolarHBondContact O-OG 2.9Å
271	R	83.8	Confident	79.5	Confident	65 Å²	65	77.7 Å²	77.7	25%	0.245	43%	0.425	C	S	.	.	H	α-helix	trans	-60.4	-45.3	176.6	-177.4	170.3	178.3	143.7	-4.3	111.9	A267 W268 S273 S274 A275 F288	A267-R271 PolarHBondContact O-N 2.9Å; W268-R271 HydrophobicContact CE3-CB 4.49Å; W268-R271 PolarHBondContact O-N 2.81Å; R271-S273 VanDerWaalsContact C-N 3.27Å; R271-S273 PolarHBondContact O-N 3.12Å; R271-S274 WeakPolarHBondContact CA-OG 3.34Å; R271-S274 PolarHBondContact O-N 3.37Å; R271-S274 VanDerWaalsContact O-N 3.14Å; R271-S274 PolarHBondContact O-OG 2.98Å; R271-A275 WeakPolarHBondContact O-CB 3.38Å; R271-A275 PolarHBondContact O-N 3.28Å; R271-F288 HydrophobicContact CB-CD2 4.33Å
272	L	82.1	Confident	79.3	Confident	18 Å²	18	76.3 Å²	76.3	9%	0.094	41%	0.413	C	S	.	.	H	α-helix	trans	-64	-34.6	177.2	-74.2	172.2	0	0	0	112.7	W268 E269 E270 S274 A280 M284	W268-L272 HydrophobicContact CD2-CD1 4.09Å; W268-L272 HydrophobicContact CD2-CG 4.24Å; W268-L272 VanDerWaalsContact CE2-CD1 3.47Å; W268-L272 HydrophobicContact CG-CD1 4.33Å; W268-L272 HydrophobicContact CH2-CD2 4.16Å; W268-L272 HydrophobicContact CH2-CG 4.37Å; W268-L272 HydrophobicContact CZ2-CD1 3.81Å; W268-L272 HydrophobicContact CZ2-CD2 3.9Å; W268-L272 HydrophobicContact CZ2-CG 3.97Å; W268-L272 WeakPolarHBondContact O-CG 3.49Å; W268-L272 PolarHBondContact O-N 3.2Å; E269-L272 PolarHBondContact O-N 3.17Å; E270-L272 PolarHBondContact O-N 3.21Å; L272-S274 VanDerWaalsContact C-N 3.3Å; L272-A280 HydrophobicContact CD2-CB 3.69Å; L272-M284 HydrophobicContact CD2-CE 3.24Å; L272-M284 HydrophobicContact CG-CE 4.43Å
273	S	74.3	Confident	79.4	Confident	93 Å²	93	75.9 Å²	75.9	65%	0.65	42%	0.415	S	S	*	.	H	α-helix	trans	-71.1	-29.1	176	-55.4	0	0	0	0	111.7	E269 E270 R271	E269-S273 WeakPolarHBondContact O-CB 3.43Å; E269-S273 PolarHBondContact O-N 2.99Å; E269-S273 PolarHBondContact O-OG 3.15Å; E270-S273 PolarHBondContact O-N 3.02Å; R271-S273 VanDerWaalsContact C-N 3.27Å; R271-S273 PolarHBondContact O-N 3.12Å
274	S	69.4	Low	79.4	Confident	90 Å²	90	70 Å²	70	63%	0.629	39%	0.393	S	S	*	.	H	α-helix	trans	-81.6	-24.2	175.9	67.4	0	0	0	0	114.6	E270 R271 L272 V276	E270-S274 PolarHBondContact O-N 3.22Å; E270-S274 PolarHBondContact O-OG 2.9Å; R271-S274 WeakPolarHBondContact CA-OG 3.34Å; R271-S274 PolarHBondContact O-N 3.37Å; R271-S274 VanDerWaalsContact O-N 3.14Å; R271-S274 PolarHBondContact O-OG 2.98Å; L272-S274 VanDerWaalsContact C-N 3.3Å; S274-V276 VanDerWaalsContact C-N 3.33Å; S274-V276 PolarHBondContact O-N 3.48Å; S274-V276 VanDerWaalsContact O-N 3.09Å
275	A	65.5	Low	79.4	Confident	22 Å²	22	68.8 Å²	68.8	18%	0.182	39%	0.387	C	S	.	.	S	Bend	trans	-85.9	69.6	-179.4	0	0	0	0	0	111.1	R271 G277 E278 M284	R271-A275 WeakPolarHBondContact O-CB 3.38Å; R271-A275 PolarHBondContact O-N 3.28Å; A275-G277 PolarHBondContact O-N 3.3Å; A275-G277 VanDerWaalsContact O-N 3.1Å; A275-E278 HydrophobicContact CB-CB 4.28Å; A275-E278 PolarHBondContact O-N 3.3Å; A275-M284 HydrophobicContact CB-SD 4.36Å
276	V	61.2	Low	79.5	Confident	140 Å²	140	71.6 Å²	71.6	85%	0.848	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	111.2	-178	-177	0	0	0	0	110.2	S274	S274-V276 VanDerWaalsContact C-N 3.33Å; S274-V276 PolarHBondContact O-N 3.48Å; S274-V276 VanDerWaalsContact O-N 3.09Å
277	G	61.2	Low	79.7	Confident	81 Å²	81	71.7 Å²	71.7	84%	0.835	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.4	-15.4	175.4	0	0	0	0	0	115.5	A275	A275-G277 PolarHBondContact O-N 3.3Å; A275-G277 VanDerWaalsContact O-N 3.1Å
278	E	64.7	Low	80	Confident	137 Å²	137	71 Å²	71	64%	0.64	40%	0.395	S	S	*	.			trans	-81.2	124.1	173.2	-84.2	-176.3	167.5	0	0	110.8	A275	A275-E278 HydrophobicContact CB-CB 4.28Å; A275-E278 PolarHBondContact O-N 3.3Å
279	K	69.5	Low	80	Confident	190 Å²	190	73.6 Å²	73.6	83%	0.826	41%	0.409	S	S	*	.			trans	-68	136.4	170	-72	-175.8	-179.2	177.7	0	108.8	S281	K279-S281 PolarHBondContact O-N 2.89Å
280	A	77	Confident	80.1	Confident	30 Å²	30	76.4 Å²	76.4	25%	0.248	43%	0.425	C	S	.	.			trans	-57.1	114.4	175.6	0	0	0	0	0	110.6	L253 L272 M284	L253-A280 HydrophobicContact CD1-CB 3.77Å; L253-A280 WeakPolarHBondContact CD1-O 3.49Å; L272-A280 HydrophobicContact CD2-CB 3.69Å; A280-M284 HydrophobicContact CB-CE 4.1Å
281	S	84.5	Confident	80.4	Confident	44 Å²	44	72.6 Å²	72.6	31%	0.308	41%	0.41	S	S	.	.			trans	-111.4	159.3	177.3	70.5	0	0	0	0	110.6	K279 D283 M284 F285	K279-S281 PolarHBondContact O-N 2.89Å; S281-D283 VanDerWaalsContact C-N 3.28Å; S281-D283 PolarHBondContact O-N 3.32Å; S281-M284 PolarHBondContact O-N 3.43Å; S281-M284 WeakPolarHBondContact OG-CB 3.3Å; S281-M284 PolarHBondContact OG-N 3.02Å; S281-M284 VanDerWaalsContact OG-N 3.1Å; S281-F285 PolarHBondContact O-N 3.24Å; S281-F285 VanDerWaalsContact O-N 3.14Å
282	L	85.3	Confident	80.7	Confident	42 Å²	42	71 Å²	71	22%	0.22	41%	0.406	C	S	.	.	H	α-helix	trans	-63.2	-37.8	173.5	-70.4	174.7	0	0	0	111.3	A249 L252 L253 F256 M284 F285 F286	A249-L282 HydrophobicContact CB-CD1 4.18Å; A249-L282 HydrophobicContact CB-CG 4.03Å; L252-L282 HydrophobicContact CB-CD2 4.05Å; L252-L282 HydrophobicContact CD1-CD1 4.17Å; L253-L282 HydrophobicContact CD2-CD2 4.01Å; L253-L282 HydrophobicContact CG-CD2 4Å; F256-L282 HydrophobicContact CD2-CD2 4.18Å; F256-L282 HydrophobicContact CE2-CD2 3.89Å; L282-M284 PolarHBondContact O-N 2.83Å; L282-F285 WeakPolarHBondContact O-CB 3.45Å; L282-F285 PolarHBondContact O-N 2.83Å; L282-F285 VanDerWaalsContact O-N 3.17Å; L282-F286 HydrophobicContact CB-CD2 4.4Å; L282-F286 HydrophobicContact CB-CE2 4.1Å; L282-F286 WeakPolarHBondContact O-CD2 2.96Å; L282-F286 WeakPolarHBondContact O-CG 3.41Å; L282-F286 PolarHBondContact O-N 3.5Å
283	D	87.1	Confident	80.9	Confident	117 Å²	117	73.4 Å²	73.4	63%	0.626	42%	0.421	S	S	*	.	H	α-helix	trans	-60.8	-43.5	176.5	-62.3	-73	0	0	0	112.2	S281 F285 F286 Q287	S281-D283 VanDerWaalsContact C-N 3.28Å; S281-D283 PolarHBondContact O-N 3.32Å; D283-F285 VanDerWaalsContact C-N 3.31Å; D283-F285 PolarHBondContact O-N 3.48Å; D283-F286 PolarHBondContact O-N 3.19Å; D283-Q287 WeakPolarHBondContact O-CB 3.49Å; D283-Q287 WeakPolarHBondContact O-CG 3.33Å; D283-Q287 PolarHBondContact O-N 3.32Å
284	M	87.6	Confident	81.4	Confident	10 Å²	10	74.7 Å²	74.7	5%	0.049	42%	0.417	C	S	.	.	H	α-helix	trans	-64.7	-37	176	-175.7	178	66.2	0	0	111.7	W268 L272 A275 A280 S281 L282 F288	W268-M284 HydrophobicContact CH2-CB 4.43Å; W268-M284 HydrophobicContact CH2-CE 3.54Å; W268-M284 HydrophobicContact CH2-CG 4.1Å; W268-M284 HydrophobicContact CZ2-CE 4.21Å; W268-M284 HydrophobicContact CZ3-CE 4.24Å; W268-M284 HydrophobicContact CZ3-CG 4.22Å; L272-M284 HydrophobicContact CD2-CE 3.24Å; L272-M284 HydrophobicContact CG-CE 4.43Å; A275-M284 HydrophobicContact CB-SD 4.36Å; A280-M284 HydrophobicContact CB-CE 4.1Å; S281-M284 PolarHBondContact O-N 3.43Å; S281-M284 WeakPolarHBondContact OG-CB 3.3Å; S281-M284 PolarHBondContact OG-N 3.02Å; S281-M284 VanDerWaalsContact OG-N 3.1Å; L282-M284 PolarHBondContact O-N 2.83Å; M284-F288 WeakPolarHBondContact O-CB 3.32Å; M284-F288 PolarHBondContact O-N 2.84Å
285	F	91.8	Very high	81.9	Confident	4 Å²	4	73.5 Å²	73.5	2%	0.018	41%	0.406	C	S	.	.	H	α-helix	trans	-67.4	-41.8	175.3	-176.3	-99.2	0	0	0	112.2	L253 F256 L260 W268 S281 L282 D283 F288 L289	L253-F285 HydrophobicContact CD2-CB 3.49Å; L253-F285 VanDerWaalsContact CD2-CB 3.49Å; L253-F285 HydrophobicContact CD2-CD2 4.07Å; L253-F285 HydrophobicContact CD2-CG 3.79Å; F256-F285 HydrophobicContact CB-CD1 4.33Å; F256-F285 HydrophobicContact CB-CE1 3.48Å; F256-F285 VanDerWaalsContact CB-CE1 3.48Å; F256-F285 HydrophobicContact CB-CE2 4.45Å; F256-F285 HydrophobicContact CB-CZ 3.55Å; F256-F285 HydrophobicContact CD2-CD1 4.04Å; F256-F285 AromaticContact CD2-CE1 3.87Å; F256-F285 HydrophobicContact CD2-CE1 3.87Å; F256-F285 HydrophobicContact CG-CE1 4.06Å; L260-F285 HydrophobicContact CD1-CE2 3.72Å; L260-F285 HydrophobicContact CD1-CZ 3.74Å; L260-F285 HydrophobicContact CG-CZ 4.2Å; W268-F285 AromaticContact CD2-CD2 3.76Å; W268-F285 HydrophobicContact CD2-CD2 3.76Å; W268-F285 HydrophobicContact CD2-CE2 4.2Å; W268-F285 AromaticContact CE2-CD2 3.52Å; W268-F285 HydrophobicContact CE3-CD2 4.05Å; W268-F285 HydrophobicContact CG-CD2 4.38Å; W268-F285 HydrophobicContact CG-CE2 4.35Å; W268-F285 VanDerWaalsContact CH2-CA 3.46Å; W268-F285 HydrophobicContact CH2-CB 3.69Å; W268-F285 AromaticContact CH2-CD2 3.91Å; W268-F285 HydrophobicContact CH2-CD2 3.91Å; W268-F285 HydrophobicContact CH2-CG 4.31Å; W268-F285 HydrophobicContact CZ2-CB 3.97Å; W268-F285 AromaticContact CZ2-CD2 3.62Å; W268-F285 HydrophobicContact CZ2-CD2 3.62Å; W268-F285 HydrophobicContact CZ2-CG 4.28Å; W268-F285 HydrophobicContact CZ3-CB 4.24Å; W268-F285 HydrophobicContact CZ3-CD2 4.12Å; W268-F285 AromaticContact NE1-CD2 3.95Å; S281-F285 PolarHBondContact O-N 3.24Å; S281-F285 VanDerWaalsContact O-N 3.14Å; L282-F285 WeakPolarHBondContact O-CB 3.45Å; L282-F285 PolarHBondContact O-N 2.83Å; L282-F285 VanDerWaalsContact O-N 3.17Å; D283-F285 VanDerWaalsContact C-N 3.31Å; D283-F285 PolarHBondContact O-N 3.48Å; F285-F288 WeakPolarHBondContact O-CB 3.22Å; F285-F288 PolarHBondContact O-N 3.38Å; F285-L289 HydrophobicContact CD1-CD1 3.77Å; F285-L289 HydrophobicContact CE1-CD1 3.16Å; F285-L289 HydrophobicContact CE2-CD1 4.35Å; F285-L289 HydrophobicContact CZ-CD1 3.52Å; F285-L289 PolarHBondContact O-N 2.96Å
286	F	91.1	Very high	82.7	Confident	106 Å²	106	77.1 Å²	77.1	47%	0.465	42%	0.419	S	S	.	.	H	α-helix	trans	-66.6	-41.4	175.5	-70.3	-50.5	0	0	0	112.1	F256 L282 D283 F288 L289 L290	F256-F286 HydrophobicContact CE2-CZ 4.32Å; L282-F286 HydrophobicContact CB-CD2 4.4Å; L282-F286 HydrophobicContact CB-CE2 4.1Å; L282-F286 WeakPolarHBondContact O-CD2 2.96Å; L282-F286 WeakPolarHBondContact O-CG 3.41Å; L282-F286 PolarHBondContact O-N 3.5Å; D283-F286 PolarHBondContact O-N 3.19Å; F286-F288 VanDerWaalsContact C-N 3.34Å; F286-L289 PolarHBondContact O-N 2.81Å; F286-L290 WeakPolarHBondContact O-CG 3.48Å; F286-L290 PolarHBondContact O-N 3.24Å
287	Q	89.6	Confident	83.7	Confident	115 Å²	115	76.3 Å²	76.3	54%	0.537	41%	0.406	S	S	.	.	H	α-helix	trans	-61.1	-42.9	171.8	-78.1	-171	-3.9	0	0	111.7	D283 L289 L290 T291	D283-Q287 WeakPolarHBondContact O-CB 3.49Å; D283-Q287 WeakPolarHBondContact O-CG 3.33Å; D283-Q287 PolarHBondContact O-N 3.32Å; Q287-L289 PolarHBondContact O-N 2.94Å; Q287-L290 PolarHBondContact O-N 3.48Å; Q287-T291 PolarHBondContact O-N 3.13Å; Q287-T291 PolarHBondContact O-OG1 2.92Å
288	F	93.1	Very high	84.2	Confident	3 Å²	3	75.7 Å²	75.7	1%	0.013	39%	0.393	C	S	.	.	H	α-helix	trans	-57.3	-48.9	173.9	164.5	-99	0	0	0	111.6	L260 L264 A267 W268 R271 M284 F285 F286 L290 T291 Q292	L260-F288 HydrophobicContact CD1-CE1 4.09Å; L264-F288 WeakPolarHBondContact O-CZ 3.16Å; A267-F288 HydrophobicContact CB-CE2 3.91Å; A267-F288 HydrophobicContact CB-CZ 3.88Å; W268-F288 HydrophobicContact CB-CD1 4.35Å; W268-F288 HydrophobicContact CB-CE1 3.76Å; W268-F288 HydrophobicContact CB-CE2 4.29Å; W268-F288 HydrophobicContact CB-CZ 3.73Å; W268-F288 HydrophobicContact CD2-CD1 4.26Å; W268-F288 HydrophobicContact CD2-CG 4.47Å; W268-F288 HydrophobicContact CE3-CB 3.68Å; W268-F288 AromaticContact CE3-CD1 3.58Å; W268-F288 HydrophobicContact CE3-CD1 3.58Å; W268-F288 AromaticContact CE3-CD2 3.9Å; W268-F288 HydrophobicContact CE3-CD2 3.9Å; W268-F288 HydrophobicContact CE3-CE1 4.19Å; W268-F288 HydrophobicContact CE3-CE2 4.45Å; W268-F288 AromaticContact CE3-CG 3.42Å; W268-F288 HydrophobicContact CE3-CG 3.42Å; W268-F288 VanDerWaalsContact CE3-CG 3.42Å; W268-F288 HydrophobicContact CG-CE1 4.42Å; W268-F288 HydrophobicContact CZ3-CB 3.56Å; W268-F288 HydrophobicContact CZ3-CD1 4.27Å; W268-F288 AromaticContact CZ3-CG 3.89Å; W268-F288 HydrophobicContact CZ3-CG 3.89Å; R271-F288 HydrophobicContact CB-CD2 4.33Å; M284-F288 WeakPolarHBondContact O-CB 3.32Å; M284-F288 PolarHBondContact O-N 2.84Å; F285-F288 WeakPolarHBondContact O-CB 3.22Å; F285-F288 PolarHBondContact O-N 3.38Å; F286-F288 VanDerWaalsContact C-N 3.34Å; F288-L290 VanDerWaalsContact C-N 3.32Å; F288-L290 PolarHBondContact O-N 3.37Å; F288-T291 PolarHBondContact O-N 2.84Å; F288-Q292 HydrophobicContact CD1-CG 4.46Å; F288-Q292 HydrophobicContact CD2-CG 4.16Å; F288-Q292 HydrophobicContact CE1-CG 4.01Å; F288-Q292 HydrophobicContact CE2-CG 3.7Å; F288-Q292 HydrophobicContact CZ-CG 3.61Å; F288-Q292 WeakPolarHBondContact O-CG 3.12Å; F288-Q292 PolarHBondContact O-N 3.44Å
289	L	91	Very high	84.4	Confident	57 Å²	57	74.3 Å²	74.3	30%	0.298	39%	0.394	S	S	.	.	H	α-helix	trans	-59.9	-42.8	177.8	-114.1	133	0	0	0	111.8	L260 F285 F286 Q287 Q292 V293	L260-L289 HydrophobicContact CD2-CD1 4.29Å; L260-L289 HydrophobicContact CD2-CG 4.46Å; F285-L289 HydrophobicContact CD1-CD1 3.77Å; F285-L289 HydrophobicContact CE1-CD1 3.16Å; F285-L289 HydrophobicContact CE2-CD1 4.35Å; F285-L289 HydrophobicContact CZ-CD1 3.52Å; F285-L289 PolarHBondContact O-N 2.96Å; F286-L289 PolarHBondContact O-N 2.81Å; Q287-L289 PolarHBondContact O-N 2.94Å; L289-Q292 PolarHBondContact O-N 2.92Å; L289-V293 WeakPolarHBondContact O-CG2 3.27Å; L289-V293 PolarHBondContact O-N 2.87Å
290	L	90	Very high	83.6	Confident	105 Å²	105	71.1 Å²	71.1	55%	0.55	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-47	174.9	-77	166.4	0	0	0	111.8	F286 Q287 F288 Q292 V293 E294	F286-L290 WeakPolarHBondContact O-CG 3.48Å; F286-L290 PolarHBondContact O-N 3.24Å; Q287-L290 PolarHBondContact O-N 3.48Å; F288-L290 VanDerWaalsContact C-N 3.32Å; F288-L290 PolarHBondContact O-N 3.37Å; L290-Q292 VanDerWaalsContact C-N 3.29Å; L290-Q292 PolarHBondContact O-N 3.42Å; L290-V293 WeakPolarHBondContact O-CB 3.3Å; L290-V293 PolarHBondContact O-N 3.04Å; L290-V293 VanDerWaalsContact O-N 3.09Å; L290-E294 WeakPolarHBondContact O-CG 3.47Å; L290-E294 PolarHBondContact O-N 3.47Å
291	T	89.5	Confident	82.3	Confident	55 Å²	55	74.2 Å²	74.2	34%	0.337	41%	0.405	S	S	.	.	H	α-helix	trans	-58.8	-40.9	174.6	-54.5	0	0	0	0	111.4	Q287 F288 V293 E294 V295	Q287-T291 PolarHBondContact O-N 3.13Å; Q287-T291 PolarHBondContact O-OG1 2.92Å; F288-T291 PolarHBondContact O-N 2.84Å; T291-V293 VanDerWaalsContact C-N 3.34Å; T291-E294 PolarHBondContact O-N 3.28Å; T291-V295 VanDerWaalsContact O-CG2 3.26Å; T291-V295 WeakPolarHBondContact O-CG2 3.14Å; T291-V295 PolarHBondContact O-N 2.83Å
292	Q	89.7	Confident	80.5	Confident	32 Å²	32	75.2 Å²	75.2	15%	0.15	42%	0.423	C	S	.	.	H	α-helix	trans	-66.6	-35.8	176.4	-64.8	-54.5	-50.2	0	0	112	L264 F288 L289 L290 E296	L264-Q292 HydrophobicContact CD2-CB 4.27Å; L264-Q292 HydrophobicContact CD2-CG 4.01Å; F288-Q292 HydrophobicContact CD1-CG 4.46Å; F288-Q292 HydrophobicContact CD2-CG 4.16Å; F288-Q292 HydrophobicContact CE1-CG 4.01Å; F288-Q292 HydrophobicContact CE2-CG 3.7Å; F288-Q292 HydrophobicContact CZ-CG 3.61Å; F288-Q292 WeakPolarHBondContact O-CG 3.12Å; F288-Q292 PolarHBondContact O-N 3.44Å; L289-Q292 PolarHBondContact O-N 2.92Å; L290-Q292 VanDerWaalsContact C-N 3.29Å; L290-Q292 PolarHBondContact O-N 3.42Å; Q292-E296 VanDerWaalsContact O-CG 3.25Å; Q292-E296 WeakPolarHBondContact O-CG 3.45Å; Q292-E296 PolarHBondContact O-N 3.07Å
293	V	85.7	Confident	78.4	Confident	69 Å²	69	79.8 Å²	79.8	42%	0.418	45%	0.448	S	S	.	.	H	α-helix	trans	-63	-47.7	172.3	170.4	0	0	0	0	110.8	L289 L290 T291 V295 E296 E297	L289-V293 WeakPolarHBondContact O-CG2 3.27Å; L289-V293 PolarHBondContact O-N 2.87Å; L290-V293 WeakPolarHBondContact O-CB 3.3Å; L290-V293 PolarHBondContact O-N 3.04Å; L290-V293 VanDerWaalsContact O-N 3.09Å; T291-V293 VanDerWaalsContact C-N 3.34Å; V293-V295 VanDerWaalsContact C-N 3.32Å; V293-V295 PolarHBondContact O-N 2.92Å; V293-E296 PolarHBondContact O-N 3.34Å; V293-E297 HydrophobicContact CG1-CG 4.34Å; V293-E297 WeakPolarHBondContact O-CG 3.07Å; V293-E297 PolarHBondContact O-N 2.72Å
294	E	84.4	Confident	75.9	Confident	119 Å²	119	85.2 Å²	85.2	56%	0.556	46%	0.459	S	S	*	.	H	α-helix	trans	-60.4	-40.2	177.9	-70.1	169.9	174.6	0	0	112.2	L290 T291 E297 A298	L290-E294 WeakPolarHBondContact O-CG 3.47Å; L290-E294 PolarHBondContact O-N 3.47Å; T291-E294 PolarHBondContact O-N 3.28Å; E294-E297 PolarHBondContact O-N 3.24Å; E294-A298 VanDerWaalsContact O-CB 3.28Å; E294-A298 WeakPolarHBondContact O-CB 3.33Å; E294-A298 PolarHBondContact O-N 3.36Å
295	V	81.2	Confident	73.7	Confident	65 Å²	65	91 Å²	91	39%	0.394	50%	0.498	S	S	.	.	H	α-helix	trans	-62	-46.5	174.2	168.7	0	0	0	0	110.9	T291 V293 A298 V299	T291-V295 VanDerWaalsContact O-CG2 3.26Å; T291-V295 WeakPolarHBondContact O-CG2 3.14Å; T291-V295 PolarHBondContact O-N 2.83Å; V293-V295 VanDerWaalsContact C-N 3.32Å; V293-V295 PolarHBondContact O-N 2.92Å; V295-A298 PolarHBondContact O-N 3.41Å; V295-V299 VanDerWaalsContact O-CG2 3.26Å; V295-V299 WeakPolarHBondContact O-CG2 3.39Å; V295-V299 PolarHBondContact O-N 2.78Å
296	E	81.7	Confident	71	Confident	99 Å²	99	102.5 Å²	102.5	46%	0.463	54%	0.541	S	S	.	.	H	α-helix	trans	-64	-40.5	177.7	-68	-76.3	175.2	0	0	111.4	R263 Q292 V293 V299 D300	R263-E296 IonicContact CZ-OE1 2.69Å; R263-E296 IonicContact NH2-OE1 3.82Å; R263-E296 PolarHBondContact NH2-OE1 3.35Å; Q292-E296 VanDerWaalsContact O-CG 3.25Å; Q292-E296 WeakPolarHBondContact O-CG 3.45Å; Q292-E296 PolarHBondContact O-N 3.07Å; V293-E296 PolarHBondContact O-N 3.34Å; E296-V299 PolarHBondContact O-N 2.67Å; E296-D300 WeakPolarHBondContact O-CB 3.28Å; E296-D300 PolarHBondContact O-N 3.18Å
297	E	82	Confident	68.1	Low	122 Å²	122	107.2 Å²	107.2	57%	0.57	56%	0.561	S	S	*	*	H	α-helix	trans	-66.5	-37.1	175.7	-72.2	-176	160.5	0	0	112.8	V293 E294 D300 S301	V293-E297 HydrophobicContact CG1-CG 4.34Å; V293-E297 WeakPolarHBondContact O-CG 3.07Å; V293-E297 PolarHBondContact O-N 2.72Å; E294-E297 PolarHBondContact O-N 3.24Å; E297-D300 PolarHBondContact O-N 3Å; E297-S301 WeakPolarHBondContact O-CB 3.17Å; E297-S301 PolarHBondContact O-N 3.18Å; E297-S301 PolarHBondContact O-OG 3.11Å
298	A	72.7	Confident	65.1	Low	69 Å²	69	106.6 Å²	106.6	57%	0.57	58%	0.576	S	S	*	*	H	α-helix	trans	-67.6	-39.4	176.2	0	0	0	0	0	112	E294 V295 D300 S301	E294-A298 VanDerWaalsContact O-CB 3.28Å; E294-A298 WeakPolarHBondContact O-CB 3.33Å; E294-A298 PolarHBondContact O-N 3.36Å; V295-A298 PolarHBondContact O-N 3.41Å; A298-D300 VanDerWaalsContact C-N 3.33Å; A298-S301 PolarHBondContact O-N 2.97Å
299	V	67.2	Low	62.3	Low	108 Å²	108	113.2 Å²	113.2	66%	0.655	62%	0.616	S	S	*	*	H	α-helix	trans	-67.4	-35.4	174.8	174.9	0	0	0	0	111	V295 E296	V295-V299 VanDerWaalsContact O-CG2 3.26Å; V295-V299 WeakPolarHBondContact O-CG2 3.39Å; V295-V299 PolarHBondContact O-N 2.78Å; E296-V299 PolarHBondContact O-N 2.67Å
300	D	53.8	Low	59.3	Low	122 Å²	122	119.3 Å²	119.3	65%	0.652	64%	0.64	S	S	*	*	H	α-helix	trans	-75.2	-25.2	179.2	-155.2	32.2	0	0	0	113	E296 E297 A298 G302 N303	E296-D300 WeakPolarHBondContact O-CB 3.28Å; E296-D300 PolarHBondContact O-N 3.18Å; E297-D300 PolarHBondContact O-N 3Å; A298-D300 VanDerWaalsContact C-N 3.33Å; D300-G302 PolarHBondContact O-N 3.37Å; D300-G302 VanDerWaalsContact O-N 3.11Å; D300-N303 PolarHBondContact O-N 2.87Å
301	S	49.9	Very low	56.4	Low	95 Å²	95	122 Å²	122	66%	0.664	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-9.8	-177.4	-66.6	0	0	0	0	115	E297 A298	E297-S301 WeakPolarHBondContact O-CB 3.17Å; E297-S301 PolarHBondContact O-N 3.18Å; E297-S301 PolarHBondContact O-OG 3.11Å; A298-S301 PolarHBondContact O-N 2.97Å
302	G	45.2	Very low	53.4	Low	66 Å²	66	122.5 Å²	122.5	68%	0.68	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-11.6	177	0	0	0	0	0	115.8	D300	D300-G302 PolarHBondContact O-N 3.37Å; D300-G302 VanDerWaalsContact O-N 3.11Å
303	N	42.1	Very low	50.4	Low	137 Å²	137	126.9 Å²	126.9	73%	0.733	71%	0.705	S	S	*	*			trans	-107.4	47.4	-170	-85.3	-31	0	0	0	114.4	D300 P305	D300-N303 PolarHBondContact O-N 2.87Å; N303-P305 VanDerWaalsContact O-CD 3.31Å; N303-P305 WeakPolarHBondContact O-CD 3.43Å
304	R	34.8	Very low	48.1	Very low	232 Å²	232	129 Å²	129	88%	0.875	72%	0.721	S	S	*	*			trans	-87.4	109.2	163.7	-83.7	-175.3	175.6	-178	1.2	110.5	R306	R304-R306 PolarHBondContact O-N 3.24Å
305	P	40.3	Very low	45.7	Very low	131 Å²	131	129.1 Å²	129.1	85%	0.851	73%	0.732	S	S	*	*			trans	-76.5	119.8	179.8	-8.1	26	0	0	0	110.6	N303	N303-P305 VanDerWaalsContact O-CD 3.31Å; N303-P305 WeakPolarHBondContact O-CD 3.43Å
306	R	35.9	Very low	43.2	Very low	245 Å²	245	137.5 Å²	137.5	93%	0.925	76%	0.756	S	S	*	*			trans	-70.1	154.6	162.1	-83	179.8	171.2	178.4	-2.2	110.5	R304	R304-R306 PolarHBondContact O-N 3.24Å
307	K	30.4	Very low	40.8	Very low	206 Å²	206	143.6 Å²	143.6	90%	0.896	78%	0.775	S	S	*	*			trans	-45.8	144.7	-175.2	-76.9	173.9	171.1	176.7	0	114.7
308	A	27.6	Very low	38.3	Very low	102 Å²	102	145.7 Å²	145.7	84%	0.843	79%	0.789	S	S	*	*			trans	-44.3	129	178.7	0	0	0	0	0	115.3
309	V	33.1	Very low	36.5	Very low	142 Å²	142	152.4 Å²	152.4	86%	0.861	80%	0.801	S	S	*	*			trans	-122.1	124.2	150.1	176.1	0	0	0	0	107
310	K	27.2	Very low	35.1	Very low	184 Å²	184	151.4 Å²	151.4	80%	0.8	80%	0.799	S	S	*	*			trans	-66.1	136.9	175.7	-71.7	172.7	171.1	176.7	0	109.7
311	N	29.1	Very low	34.3	Very low	161 Å²	161	149.3 Å²	149.3	86%	0.861	80%	0.799	S	S	*	*			trans	145.1	129.5	137.5	-73.4	-15.8	0	0	0	111
312	G	28.2	Very low	33.6	Very low	66 Å²	66	148.4 Å²	148.4	68%	0.68	80%	0.797	S	S	*	*			trans	101	95	173.3	0	0	0	0	0	112.6	P314	G312-P314 WeakPolarHBondContact O-CD 3.49Å
313	S	25.3	Very low	33.2	Very low	124 Å²	124	149.1 Å²	149.1	87%	0.867	80%	0.797	S	S	*	*			trans	-66.6	109.8	164.2	43.3	0	0	0	0	109.8
314	P	37.4	Very low	32.8	Very low	114 Å²	114	150.2 Å²	150.2	74%	0.74	80%	0.801	S	S	*	*			trans	-83.9	155.5	173.5	-2.3	24	0	0	0	109.8	G312	G312-P314 WeakPolarHBondContact O-CD 3.49Å
315	P	33.9	Very low	32.9	Very low	121 Å²	121	146.2 Å²	146.2	79%	0.786	80%	0.796	S	S	*	*			trans	-70.8	145.2	-167	29	-33.7	0	0	0	112.3	R317	P315-R317 PolarHBondContact O-N 3.46Å
316	R	29.1	Very low	32.5	Very low	241 Å²	241	144.2 Å²	144.2	91%	0.909	79%	0.791	S	S	*	*			trans	-48.6	91	175.2	-144.9	176.7	-173.2	-176.2	1.2	110.8	L318	R316-L318 PolarHBondContact O-N 2.88Å; R316-L318 VanDerWaalsContact O-N 3.1Å
317	R	32.6	Very low	32.4	Very low	228 Å²	228	141.7 Å²	141.7	86%	0.86	79%	0.786	S	S	*	*			trans	-71	104.4	170.1	-101	-178.7	174	179.6	-1.6	108.3	P315 Y319	P315-R317 PolarHBondContact O-N 3.46Å; R317-Y319 PolarHBondContact O-N 3.47Å
318	L	29.1	Very low	32.6	Very low	166 Å²	166	139.7 Å²	139.7	87%	0.869	79%	0.786	S	S	*	*			trans	-60.2	111.2	169.4	-76.6	148.4	0	0	0	108.6	R316 S320	R316-L318 PolarHBondContact O-N 2.88Å; R316-L318 VanDerWaalsContact O-N 3.1Å; L318-S320 PolarHBondContact O-N 3.38Å
319	Y	34.4	Very low	33.1	Very low	210 Å²	210	139.8 Å²	139.8	82%	0.824	77%	0.772	S	S	*	*			trans	-65.7	122.8	166.3	-62.2	-82.4	0	0	0	108	R317	R317-Y319 PolarHBondContact O-N 3.47Å
320	S	37	Very low	33.7	Very low	87 Å²	87	138.7 Å²	138.7	61%	0.608	76%	0.757	S	S	*	*			trans	-67.2	138.5	170.8	67.3	0	0	0	0	108.8	L318 A322 A323	L318-S320 PolarHBondContact O-N 3.38Å; S320-A322 PolarHBondContact O-N 3.47Å; S320-A323 PolarHBondContact O-N 3.5Å
321	A	38	Very low	34.6	Very low	78 Å²	78	133.8 Å²	133.8	65%	0.645	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-57.7	-12.4	-178.2	0	0	0	0	0	114	A323 L324	A321-A323 VanDerWaalsContact C-N 3.27Å; A321-A323 PolarHBondContact O-N 3.34Å; A321-L324 PolarHBondContact O-N 3.12Å
322	A	35.5	Very low	35.7	Very low	76 Å²	76	132.8 Å²	132.8	63%	0.628	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-63.6	-28.4	176.7	0	0	0	0	0	113.3	S320 L324	S320-A322 PolarHBondContact O-N 3.47Å; A322-L324 PolarHBondContact O-N 3.41Å
323	A	36.8	Very low	37.5	Very low	81 Å²	81	133.3 Å²	133.3	67%	0.669	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-79.8	-11.1	-176.1	0	0	0	0	0	114.7	S320 A321	S320-A323 PolarHBondContact O-N 3.5Å; A321-A323 VanDerWaalsContact C-N 3.27Å; A321-A323 PolarHBondContact O-N 3.34Å
324	L	33.4	Very low	40	Very low	159 Å²	159	127.4 Å²	127.4	83%	0.832	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-94.6	-6	-177.6	-85.5	161.9	0	0	0	114.4	A321 A322	A321-L324 PolarHBondContact O-N 3.12Å; A322-L324 PolarHBondContact O-N 3.41Å
325	I	35.9	Very low	41.7	Very low	149 Å²	149	123.3 Å²	123.3	76%	0.764	66%	0.658	S	S	*	*	S	Bend	trans	-104	-14.4	-172.4	-58.3	177.6	0	0	0	112.5	K327	I325-K327 PolarHBondContact O-N 2.94Å
326	A	33.2	Very low	43.8	Very low	89 Å²	89	119.5 Å²	119.5	74%	0.736	63%	0.631	S	S	*	*			trans	-98.2	27.1	-167	0	0	0	0	0	116.6
327	K	32.3	Very low	46.2	Very low	191 Å²	191	109.8 Å²	109.8	83%	0.83	60%	0.599	S	S	*	*			trans	-116.1	92.2	169.4	-81.6	-169.4	173.5	-174.3	0	110.6	I325 D329	I325-K327 PolarHBondContact O-N 2.94Å; K327-D329 PolarHBondContact O-N 3.46Å
328	D	36.3	Very low	48	Very low	165 Å²	165	105.9 Å²	105.9	88%	0.882	59%	0.591	S	S	*	*			trans	-67.5	103	160.7	-100.6	-31.9	0	0	0	107.8	E330	D328-E330 PolarHBondContact O-N 3.22Å
329	D	37.3	Very low	50.1	Low	104 Å²	104	104.7 Å²	104.7	56%	0.556	58%	0.579	S	S	*	*			trans	-66.1	104.1	174.3	-86.5	-31.4	0	0	0	108.9	K327 V331 R342	K327-D329 PolarHBondContact O-N 3.46Å; D329-V331 VanDerWaalsContact O-CG2 3.31Å; D329-V331 WeakPolarHBondContact O-CG2 3.44Å; D329-V331 PolarHBondContact O-N 3.35Å; D329-R342 IonicContact OD1-NH2 2.62Å; D329-R342 IonicContact OD2-CZ 3.87Å; D329-R342 IonicContact OD2-NH2 2.94Å; D329-R342 PolarHBondContact OD2-NH2 3.3Å
330	E	45.5	Very low	51.9	Low	118 Å²	118	97.7 Å²	97.7	55%	0.551	57%	0.57	S	S	*	*			trans	-49.7	110.7	167.9	-81.2	-175.6	170.7	0	0	109.5	D328 K332	D328-E330 PolarHBondContact O-N 3.22Å; E330-K332 PolarHBondContact O-N 2.99Å
331	V	46.7	Very low	53.8	Low	81 Å²	81	95.5 Å²	95.5	49%	0.491	55%	0.55	S	S	.	*			trans	-77.1	91.7	-170.9	-168.3	0	0	0	0	108.9	D329 S333 G340 H341	D329-V331 VanDerWaalsContact O-CG2 3.31Å; D329-V331 WeakPolarHBondContact O-CG2 3.44Å; D329-V331 PolarHBondContact O-N 3.35Å; V331-S333 PolarHBondContact O-N 3.38Å; V331-S333 VanDerWaalsContact O-N 3.17Å; V331-G340 VanDerWaalsContact CG1-C 3.44Å; V331-G340 WeakPolarHBondContact CG1-O 3.32Å; V331-H341 VanDerWaalsContact CG1-CA 3.44Å
332	K	52.5	Low	55.8	Low	140 Å²	140	97.5 Å²	97.5	61%	0.609	54%	0.541	S	S	*	.			trans	-43	124	168.8	-69	-171.2	177.6	-173.2	0	109.1	E330 C334 H341	E330-K332 PolarHBondContact O-N 2.99Å; K332-C334 PolarHBondContact O-N 3.3Å; K332-H341 CarbonylContact O-C 3.3Å; K332-H341 VanDerWaalsContact O-O 3.05Å
333	S	64.8	Low	58.1	Low	78 Å²	78	94 Å²	94	55%	0.545	51%	0.512	S	S	.	.			trans	-58.1	138.4	176	54.2	0	0	0	0	109.4	V331 A335 K339	V331-S333 PolarHBondContact O-N 3.38Å; V331-S333 VanDerWaalsContact O-N 3.17Å; S333-A335 PolarHBondContact O-N 3.31Å; S333-K339 CarbonylContact C-O 3.39Å; S333-K339 WeakPolarHBondContact CA-O 3.32Å
334	C	78.6	Confident	60.3	Low	0 Å²	0	91.5 Å²	91.5	0%	0	49%	0.491	C	S	.	.			trans	-58.4	124.4	-179.3	175.6	0	0	0	0	108.7	K332 L336 C337 H338 K339 H341 C346	K332-C334 PolarHBondContact O-N 3.3Å; C334-L336 PolarHBondContact O-N 3.3Å; C334-L336 PolarHBondContact SG-N 3.24Å; C334-L336 VanDerWaalsContact SG-N 3.38Å; C334-C337 PolarHBondContact SG-N 3.23Å; C334-H338 WeakPolarHBondContact O-CA 3.44Å; C334-H338 PolarHBondContact O-N 2.75Å; C334-K339 WeakPolarHBondContact CB-O 3.28Å; C334-K339 PolarHBondContact N-O 3.29Å; C334-H341 WeakPolarHBondContact CA-O 3.25Å; C334-H341 WeakPolarHBondContact CB-NE2 3.35Å; C334-H341 WeakPolarHBondContact CB-O 3.09Å; C334-H341 PolarHBondContact N-O 3.29Å; C334-C346 WeakPolarHBondContact SG-CB 3.41Å; C334-C346 PolarHBondContact SG-SG 2.89Å
335	A	73.7	Confident	62.6	Low	27 Å²	27	87.7 Å²	87.7	22%	0.223	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-2.1	-179.4	0	0	0	0	0	113.9	S333 T343 L366	S333-A335 PolarHBondContact O-N 3.31Å; A335-T343 PolarHBondContact N-OG1 3.09Å; A335-T343 VanDerWaalsContact N-OG1 3.16Å; A335-L366 HydrophobicContact CB-CD1 4.13Å; A335-L366 HydrophobicContact CB-CD2 3.36Å; A335-L366 HydrophobicContact CB-CG 4.39Å
336	L	77	Confident	64.8	Low	42 Å²	42	80.6 Å²	80.6	22%	0.22	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-47.2	-176.6	-61.6	173.9	0	0	0	113.7	C334 T343 L349 V360 L366	C334-L336 PolarHBondContact O-N 3.3Å; C334-L336 PolarHBondContact SG-N 3.24Å; C334-L336 VanDerWaalsContact SG-N 3.38Å; L336-T343 HydrophobicContact CD1-CG2 3.62Å; L336-T343 HydrophobicContact CG-CG2 3.8Å; L336-L349 HydrophobicContact CD1-CB 3.68Å; L336-L349 HydrophobicContact CD1-CD1 3.74Å; L336-L349 HydrophobicContact CD1-CD2 4.2Å; L336-L349 HydrophobicContact CD1-CG 4.06Å; L336-V360 HydrophobicContact CD1-CG1 3.59Å; L336-V360 HydrophobicContact CD2-CG1 3.12Å; L336-V360 HydrophobicContact CG-CG1 3.92Å; L336-L366 HydrophobicContact CD2-CD1 4.06Å; L336-L366 HydrophobicContact CG-CD1 4.37Å
337	C	79.3	Confident	67	Low	36 Å²	36	80.1 Å²	80.1	24%	0.243	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	2.5	-179.5	77.5	0	0	0	0	112.5	C334 K339 H341	C334-C337 PolarHBondContact SG-N 3.23Å; C337-K339 PolarHBondContact O-N 3.19Å; C337-H341 PolarHBondContact SG-CE1 3.05Å; C337-H341 PolarHBondContact SG-NE2 3.25Å
338	H	70	Confident	69.3	Low	147 Å²	147	75.4 Å²	75.4	68%	0.681	42%	0.415	S	S	*	.			trans	56.5	14.7	178.7	-54.1	-68.3	0	0	0	115.7	C334	C334-H338 WeakPolarHBondContact O-CA 3.44Å; C334-H338 PolarHBondContact O-N 2.75Å
339	K	73.2	Confident	71.5	Confident	141 Å²	141	67.6 Å²	67.6	61%	0.613	37%	0.373	S	S	*	.	S	Bend	trans	-85.1	157.3	175	-64.3	177.3	179.4	-178.9	0	110.5	S333 C334 C337 H341	S333-K339 CarbonylContact C-O 3.39Å; S333-K339 WeakPolarHBondContact CA-O 3.32Å; C334-K339 WeakPolarHBondContact CB-O 3.28Å; C334-K339 PolarHBondContact N-O 3.29Å; C337-K339 PolarHBondContact O-N 3.19Å; K339-H341 PolarHBondContact O-N 2.97Å
340	G	73.1	Confident	73.6	Confident	63 Å²	63	66.2 Å²	66.2	65%	0.649	37%	0.366	S	S	*	.	S	Bend	trans	-71.6	57.4	-178.1	0	0	0	0	0	115.3	V331	V331-G340 VanDerWaalsContact CG1-C 3.44Å; V331-G340 WeakPolarHBondContact CG1-O 3.32Å
341	H	76.6	Confident	75.1	Confident	41 Å²	41	66.4 Å²	66.4	19%	0.19	38%	0.375	C	S	.	.	S	Bend	trans	-139.5	159	168.6	57.9	-104.7	0	0	0	109.9	V331 K332 C334 C337 K339 C346	V331-H341 VanDerWaalsContact CG1-CA 3.44Å; K332-H341 CarbonylContact O-C 3.3Å; K332-H341 VanDerWaalsContact O-O 3.05Å; C334-H341 WeakPolarHBondContact CA-O 3.25Å; C334-H341 WeakPolarHBondContact CB-NE2 3.35Å; C334-H341 WeakPolarHBondContact CB-O 3.09Å; C334-H341 PolarHBondContact N-O 3.29Å; C337-H341 PolarHBondContact SG-CE1 3.05Å; C337-H341 PolarHBondContact SG-NE2 3.25Å; K339-H341 PolarHBondContact O-N 2.97Å; H341-C346 VanDerWaalsContact NE2-CA 3.33Å; H341-C346 WeakPolarHBondContact NE2-CA 3.25Å
342	R	80.5	Confident	76.7	Confident	119 Å²	119	63.6 Å²	63.6	45%	0.449	36%	0.36	S	S	.	.			trans	-66.4	145.4	178.6	-61.5	-178.1	-173.1	172.6	4.9	111	D329 A344 T345 C346	D329-R342 IonicContact OD1-NH2 2.62Å; D329-R342 IonicContact OD2-CZ 3.87Å; D329-R342 IonicContact OD2-NH2 2.94Å; D329-R342 PolarHBondContact OD2-NH2 3.3Å; R342-A344 PolarHBondContact O-N 3.47Å; R342-A344 VanDerWaalsContact O-N 3.13Å; R342-T345 PolarHBondContact N-OG1 3.13Å; R342-T345 CarbonylContact O-C 3.47Å; R342-T345 PolarHBondContact O-N 3.28Å; R342-T345 PolarHBondContact O-OG1 3.19Å; R342-C346 PolarHBondContact O-N 3.33Å
343	T	84.5	Confident	78.1	Confident	4 Å²	4	59.6 Å²	59.6	3%	0.025	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-51.8	-39.3	176.4	-48.6	0	0	0	0	112.6	A335 L336 T345 C346 L349 L366 L371	A335-T343 PolarHBondContact N-OG1 3.09Å; A335-T343 VanDerWaalsContact N-OG1 3.16Å; L336-T343 HydrophobicContact CD1-CG2 3.62Å; L336-T343 HydrophobicContact CG-CG2 3.8Å; T343-T345 PolarHBondContact O-N 2.75Å; T343-C346 WeakPolarHBondContact O-CB 3.28Å; T343-C346 PolarHBondContact O-N 3.38Å; T343-L349 HydrophobicContact CG2-CD2 4.34Å; T343-L349 WeakPolarHBondContact O-CD2 3.47Å; T343-L366 HydrophobicContact CG2-CD1 3.63Å; T343-L371 VanDerWaalsContact CB-O 3.26Å; T343-L371 WeakPolarHBondContact CB-O 3.28Å; T343-L371 HydrophobicContact CG2-CB 4.23Å; T343-L371 WeakPolarHBondContact CG2-O 3.45Å; T343-L371 PolarHBondContact OG1-O 2.96Å
344	A	82.5	Confident	78.9	Confident	27 Å²	27	57.9 Å²	57.9	22%	0.223	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-63.6	-21.2	178.3	0	0	0	0	0	114	R342 L371 L398	R342-A344 PolarHBondContact O-N 3.47Å; R342-A344 VanDerWaalsContact O-N 3.13Å; A344-L371 HydrophobicContact CB-CD1 4.06Å; A344-L398 HydrophobicContact CB-CD1 4.42Å; A344-L398 WeakPolarHBondContact O-CD1 3.22Å
345	T	81	Confident	79.1	Confident	80 Å²	80	64.5 Å²	64.5	49%	0.491	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-105.1	9.7	176.6	54.5	0	0	0	0	112.5	R342 T343 P347	R342-T345 PolarHBondContact N-OG1 3.13Å; R342-T345 CarbonylContact O-C 3.47Å; R342-T345 PolarHBondContact O-N 3.28Å; R342-T345 PolarHBondContact O-OG1 3.19Å; T343-T345 PolarHBondContact O-N 2.75Å; T345-P347 WeakPolarHBondContact O-CD 3.46Å
346	C	82.7	Confident	79.6	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.372	C	S	.	.			trans	-67.5	123	-178	-175.7	0	0	0	0	111.2	C334 H341 R342 T343 T348 L349 L350	C334-C346 WeakPolarHBondContact SG-CB 3.41Å; C334-C346 PolarHBondContact SG-SG 2.89Å; H341-C346 VanDerWaalsContact NE2-CA 3.33Å; H341-C346 WeakPolarHBondContact NE2-CA 3.25Å; R342-C346 PolarHBondContact O-N 3.33Å; T343-C346 WeakPolarHBondContact O-CB 3.28Å; T343-C346 PolarHBondContact O-N 3.38Å; C346-T348 PolarHBondContact O-N 3.21Å; C346-L349 HydrophobicContact CB-CB 4Å; C346-L349 PolarHBondContact O-N 3.4Å; C346-L350 WeakPolarHBondContact O-CG 3.32Å; C346-L350 PolarHBondContact O-N 3.19Å
347	P	79.7	Confident	80.1	Confident	79 Å²	79	66.3 Å²	66.3	51%	0.513	37%	0.37	S	S	.	.	H	α-helix	trans	-53.4	-43.2	177.9	-26.4	34.4	0	0	0	112	T345 L349 L350 T351	T345-P347 WeakPolarHBondContact O-CD 3.46Å; P347-L349 VanDerWaalsContact C-N 3.31Å; P347-L349 PolarHBondContact O-N 3.43Å; P347-L350 PolarHBondContact O-N 3.26Å; P347-T351 WeakPolarHBondContact O-CG2 3.48Å; P347-T351 PolarHBondContact O-N 2.77Å; P347-T351 PolarHBondContact O-OG1 2.71Å
348	T	79.8	Confident	80.7	Confident	91 Å²	91	66.7 Å²	66.7	56%	0.558	37%	0.366	S	S	*	.	H	α-helix	trans	-61.3	-35.4	178.4	-44.5	0	0	0	0	113	C346 A352	C346-T348 PolarHBondContact O-N 3.21Å; T348-A352 WeakPolarHBondContact O-CB 3.46Å; T348-A352 PolarHBondContact O-N 3.02Å
349	L	83.4	Confident	81.4	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-76.7	-41.1	175.7	-172.8	71.4	0	0	0	111.4	L336 T343 C346 P347 T351 A352 R357 V360 V361 L371 L398	L336-L349 HydrophobicContact CD1-CB 3.68Å; L336-L349 HydrophobicContact CD1-CD1 3.74Å; L336-L349 HydrophobicContact CD1-CD2 4.2Å; L336-L349 HydrophobicContact CD1-CG 4.06Å; T343-L349 HydrophobicContact CG2-CD2 4.34Å; T343-L349 WeakPolarHBondContact O-CD2 3.47Å; C346-L349 HydrophobicContact CB-CB 4Å; C346-L349 PolarHBondContact O-N 3.4Å; P347-L349 VanDerWaalsContact C-N 3.31Å; P347-L349 PolarHBondContact O-N 3.43Å; L349-T351 VanDerWaalsContact C-N 3.35Å; L349-A352 PolarHBondContact O-N 3.49Å; L349-R357 HydrophobicContact CD1-CB 4Å; L349-R357 HydrophobicContact CD1-CG 3.82Å; L349-R357 HydrophobicContact CG-CG 4.24Å; L349-R357 WeakPolarHBondContact O-CG 3.44Å; L349-R357 PolarHBondContact O-NE 2.89Å; L349-V360 HydrophobicContact CD1-CG1 4.09Å; L349-V361 HydrophobicContact CD1-CG2 4.41Å; L349-L371 HydrophobicContact CD2-CD1 3.79Å; L349-L398 HydrophobicContact CD2-CD1 4.19Å
350	L	80.9	Confident	81.9	Confident	75 Å²	75	61.1 Å²	61.1	39%	0.393	34%	0.344	S	S	.	.	H	α-helix	trans	-68.2	-34.8	-176.7	-69.3	174.9	0	0	0	112	C346 P347 R357 L398	C346-L350 WeakPolarHBondContact O-CG 3.32Å; C346-L350 PolarHBondContact O-N 3.19Å; P347-L350 PolarHBondContact O-N 3.26Å; L350-R357 PolarHBondContact O-NH2 3.23Å; L350-L398 HydrophobicContact CD2-CD1 3.88Å; L350-L398 HydrophobicContact CD2-CD2 3.69Å; L350-L398 HydrophobicContact CD2-CG 4.47Å
351	T	77.5	Confident	82.6	Confident	122 Å²	122	58.1 Å²	58.1	75%	0.748	31%	0.313	S	S	*	.	H	α-helix	trans	-81.4	-17.7	177.1	55.8	0	0	0	0	113.7	P347 L349	P347-T351 WeakPolarHBondContact O-CG2 3.48Å; P347-T351 PolarHBondContact O-N 2.77Å; P347-T351 PolarHBondContact O-OG1 2.71Å; L349-T351 VanDerWaalsContact C-N 3.35Å
352	A	79.8	Confident	83.1	Confident	21 Å²	21	63.2 Å²	63.2	17%	0.174	33%	0.331	C	S	.	.	S	Bend	trans	-70.1	149	177.7	0	0	0	0	0	112.5	T348 L349 D356 R357	T348-A352 WeakPolarHBondContact O-CB 3.46Å; T348-A352 PolarHBondContact O-N 3.02Å; L349-A352 PolarHBondContact O-N 3.49Å; A352-D356 HydrophobicContact CB-CB 4.11Å; A352-R357 HydrophobicContact CB-CG 4Å; A352-R357 PolarHBondContact O-NE 3.15Å; A352-R357 PolarHBondContact O-NH2 3.11Å
353	S	82.4	Confident	83.1	Confident	57 Å²	57	66.5 Å²	66.5	40%	0.399	35%	0.348	S	S	.	.			trans	-60.9	158.7	170.5	77.8	0	0	0	0	110.9	E355 D356 R357	S353-E355 VanDerWaalsContact C-N 3.27Å; S353-E355 PolarHBondContact O-N 2.92Å; S353-D356 PolarHBondContact O-N 3.38Å; S353-D356 VanDerWaalsContact O-N 3.11Å; S353-D356 WeakPolarHBondContact OG-CB 3.34Å; S353-D356 PolarHBondContact OG-N 3.19Å; S353-D356 VanDerWaalsContact OG-N 3.12Å; S353-D356 PolarHBondContact OG-OD2 2.82Å; S353-R357 VanDerWaalsContact O-CG 3.3Å; S353-R357 WeakPolarHBondContact O-CG 3.5Å; S353-R357 PolarHBondContact O-N 3.08Å
354	V	81.9	Confident	82.9	Confident	42 Å²	42	67.8 Å²	67.8	26%	0.255	36%	0.362	S	S	.	.	H	α-helix	trans	-60.8	-37.8	-179.9	-177.9	0	0	0	0	111.9	R357 W358 H400 T401	V354-R357 PolarHBondContact O-N 3.16Å; V354-W358 PolarHBondContact O-N 3.2Å; V354-H400 WeakPolarHBondContact CG1-O 3.48Å; V354-T401 HydrophobicContact CB-CG2 4.38Å; V354-T401 HydrophobicContact CG1-CG2 3.53Å
355	E	82	Confident	82.9	Confident	139 Å²	139	74.2 Å²	74.2	65%	0.65	39%	0.387	S	S	*	.	H	α-helix	trans	-62.6	-42.8	174.6	-72.8	-179.1	169.9	0	0	111.8	S353 W358 K359	S353-E355 VanDerWaalsContact C-N 3.27Å; S353-E355 PolarHBondContact O-N 2.92Å; E355-W358 WeakPolarHBondContact O-CB 3.44Å; E355-W358 PolarHBondContact O-N 3.16Å; E355-K359 WeakPolarHBondContact O-CG 3.47Å; E355-K359 PolarHBondContact O-N 3.5Å
356	D	83.4	Confident	83.3	Confident	62 Å²	62	70.6 Å²	70.6	33%	0.332	37%	0.365	S	S	.	.	H	α-helix	trans	-71	-34.6	177.6	-63.2	-39.3	0	0	0	112	A352 S353 W358 K359 V360	A352-D356 HydrophobicContact CB-CB 4.11Å; S353-D356 PolarHBondContact O-N 3.38Å; S353-D356 VanDerWaalsContact O-N 3.11Å; S353-D356 WeakPolarHBondContact OG-CB 3.34Å; S353-D356 PolarHBondContact OG-N 3.19Å; S353-D356 VanDerWaalsContact OG-N 3.12Å; S353-D356 PolarHBondContact OG-OD2 2.82Å; D356-W358 VanDerWaalsContact C-N 3.31Å; D356-W358 PolarHBondContact O-N 3.01Å; D356-K359 PolarHBondContact O-N 3.41Å; D356-K359 IonicContact OD1-NZ 3.08Å; D356-K359 PolarHBondContact OD1-NZ 3.46Å; D356-K359 VanDerWaalsContact OD1-NZ 3.08Å; D356-V360 VanDerWaalsContact O-CB 3.26Å; D356-V360 WeakPolarHBondContact O-CB 3.35Å; D356-V360 WeakPolarHBondContact O-CG2 3.28Å; D356-V360 PolarHBondContact O-N 2.81Å
357	R	89	Confident	83.7	Confident	45 Å²	45	70.7 Å²	70.7	17%	0.17	37%	0.365	C	S	.	.	H	α-helix	trans	-58.7	-43.3	170.9	-69	174.8	-167.5	162.2	5.6	111.1	L349 L350 A352 S353 V354 V360 V361 L398 L399	L349-R357 HydrophobicContact CD1-CB 4Å; L349-R357 HydrophobicContact CD1-CG 3.82Å; L349-R357 HydrophobicContact CG-CG 4.24Å; L349-R357 WeakPolarHBondContact O-CG 3.44Å; L349-R357 PolarHBondContact O-NE 2.89Å; L350-R357 PolarHBondContact O-NH2 3.23Å; A352-R357 HydrophobicContact CB-CG 4Å; A352-R357 PolarHBondContact O-NE 3.15Å; A352-R357 PolarHBondContact O-NH2 3.11Å; S353-R357 VanDerWaalsContact O-CG 3.3Å; S353-R357 WeakPolarHBondContact O-CG 3.5Å; S353-R357 PolarHBondContact O-N 3.08Å; V354-R357 PolarHBondContact O-N 3.16Å; R357-V360 PolarHBondContact O-N 3.34Å; R357-V361 VanDerWaalsContact O-CB 3.28Å; R357-V361 WeakPolarHBondContact O-CB 3.47Å; R357-V361 VanDerWaalsContact O-CG2 3.26Å; R357-V361 WeakPolarHBondContact O-CG2 3.47Å; R357-V361 PolarHBondContact O-N 2.86Å; R357-L398 WeakPolarHBondContact CD-O 3.42Å; R357-L398 PolarHBondContact NH1-O 3.28Å; R357-L399 HydrophobicContact CB-CD2 3.86Å
358	W	90.1	Very high	84.3	Confident	44 Å²	44	70.1 Å²	70.1	17%	0.167	36%	0.355	C	S	.	.	H	α-helix	trans	-62	-44.4	174	-88.2	107.9	0	0	0	112.4	V354 E355 D356 R362 F368 H395 L399	V354-W358 PolarHBondContact O-N 3.2Å; E355-W358 WeakPolarHBondContact O-CB 3.44Å; E355-W358 PolarHBondContact O-N 3.16Å; D356-W358 VanDerWaalsContact C-N 3.31Å; D356-W358 PolarHBondContact O-N 3.01Å; W358-R362 WeakPolarHBondContact O-CB 3.45Å; W358-R362 WeakPolarHBondContact O-CG 3.44Å; W358-R362 PolarHBondContact O-N 2.93Å; W358-F368 HydrophobicContact CH2-CD2 4.36Å; W358-F368 HydrophobicContact CH2-CG 4.48Å; W358-F368 HydrophobicContact CZ3-CB 4.46Å; W358-F368 HydrophobicContact CZ3-CD1 4.22Å; W358-F368 AromaticContact CZ3-CD2 3.86Å; W358-F368 HydrophobicContact CZ3-CD2 3.86Å; W358-F368 HydrophobicContact CZ3-CE1 4.42Å; W358-F368 HydrophobicContact CZ3-CE2 4.08Å; W358-F368 AromaticContact CZ3-CG 3.93Å; W358-F368 HydrophobicContact CZ3-CG 3.93Å; W358-F368 HydrophobicContact CZ3-CZ 4.35Å; W358-H395 HydrophobicContact CH2-CB 4.24Å; W358-H395 HydrophobicContact CZ2-CB 4.47Å; W358-H395 AromaticContact CZ2-ND1 3.56Å; W358-L399 HydrophobicContact CD2-CB 4.33Å; W358-L399 HydrophobicContact CD2-CD2 4.38Å; W358-L399 VanDerWaalsContact CE2-O 3.29Å; W358-L399 HydrophobicContact CG-CD2 4.41Å; W358-L399 HydrophobicContact CH2-CD1 4.46Å; W358-L399 HydrophobicContact CZ2-CB 3.94Å; W358-L399 HydrophobicContact CZ3-CD1 4.38Å; W358-L399 PolarHBondContact NE1-O 3.36Å
359	K	86	Confident	84.8	Confident	121 Å²	121	66.4 Å²	66.4	53%	0.526	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-48.1	176.4	-70.6	174	-168.9	158.5	0	111.4	E355 D356 V361 R362 K363	E355-K359 WeakPolarHBondContact O-CG 3.47Å; E355-K359 PolarHBondContact O-N 3.5Å; D356-K359 PolarHBondContact O-N 3.41Å; D356-K359 IonicContact OD1-NZ 3.08Å; D356-K359 PolarHBondContact OD1-NZ 3.46Å; D356-K359 VanDerWaalsContact OD1-NZ 3.08Å; K359-V361 PolarHBondContact O-N 3.48Å; K359-R362 PolarHBondContact O-N 3.05Å; K359-K363 VanDerWaalsContact O-CB 3.28Å; K359-K363 WeakPolarHBondContact O-CB 3.43Å; K359-K363 PolarHBondContact O-N 2.71Å
360	V	84	Confident	85.1	Confident	50 Å²	50	67.2 Å²	67.2	30%	0.303	34%	0.338	S	S	.	.	H	α-helix	trans	-61.7	-44.9	-178.7	167.6	0	0	0	0	111.1	L336 L349 D356 R357 G364	L336-V360 HydrophobicContact CD1-CG1 3.59Å; L336-V360 HydrophobicContact CD2-CG1 3.12Å; L336-V360 HydrophobicContact CG-CG1 3.92Å; L349-V360 HydrophobicContact CD1-CG1 4.09Å; D356-V360 VanDerWaalsContact O-CB 3.26Å; D356-V360 WeakPolarHBondContact O-CB 3.35Å; D356-V360 WeakPolarHBondContact O-CG2 3.28Å; D356-V360 PolarHBondContact O-N 2.81Å; R357-V360 PolarHBondContact O-N 3.34Å; V360-G364 PolarHBondContact O-N 2.92Å
361	V	86.8	Confident	85.5	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66.9	-40.3	177.3	162.3	0	0	0	0	112.6	L349 R357 K359 H365 L366 F368 L371 L399	L349-V361 HydrophobicContact CD1-CG2 4.41Å; R357-V361 VanDerWaalsContact O-CB 3.28Å; R357-V361 WeakPolarHBondContact O-CB 3.47Å; R357-V361 VanDerWaalsContact O-CG2 3.26Å; R357-V361 WeakPolarHBondContact O-CG2 3.47Å; R357-V361 PolarHBondContact O-N 2.86Å; K359-V361 PolarHBondContact O-N 3.48Å; V361-H365 PolarHBondContact O-N 3.25Å; V361-L366 HydrophobicContact CG1-CB 4.18Å; V361-L366 HydrophobicContact CG2-CD1 4.4Å; V361-L366 PolarHBondContact O-N 2.77Å; V361-F368 HydrophobicContact CG1-CD1 3.34Å; V361-F368 HydrophobicContact CG1-CE1 3.64Å; V361-L371 HydrophobicContact CG1-CD2 4.43Å; V361-L371 HydrophobicContact CG2-CD2 3.7Å; V361-L399 HydrophobicContact CB-CD1 4.44Å; V361-L399 HydrophobicContact CB-CD2 4.07Å; V361-L399 HydrophobicContact CG1-CD1 3.94Å; V361-L399 HydrophobicContact CG1-CD2 4.46Å; V361-L399 HydrophobicContact CG2-CD1 4.28Å; V361-L399 HydrophobicContact CG2-CD2 3.64Å; V361-L399 HydrophobicContact CG2-CG 4.43Å
362	R	87.2	Confident	85.8	Confident	148 Å²	148	59.9 Å²	59.9	56%	0.558	29%	0.294	S	S	*	.	H	α-helix	trans	-66.5	-46.5	175.3	-74.7	179.7	-162.7	150.7	6.5	111.8	W358 K359 G364 H365 F368	W358-R362 WeakPolarHBondContact O-CB 3.45Å; W358-R362 WeakPolarHBondContact O-CG 3.44Å; W358-R362 PolarHBondContact O-N 2.93Å; K359-R362 PolarHBondContact O-N 3.05Å; R362-G364 VanDerWaalsContact C-N 3.3Å; R362-G364 PolarHBondContact O-N 2.82Å; R362-H365 PolarHBondContact O-N 2.83Å; R362-F368 HydrophobicContact CG-CE1 4.17Å; R362-F368 HydrophobicContact CG-CZ 4.06Å
363	K	81.4	Confident	85.9	Confident	188 Å²	188	61.7 Å²	61.7	82%	0.817	31%	0.309	S	S	*	.	H	α-helix	trans	-64	-36	179.8	-167.3	179.2	-178	-178	0	111.7	K359 H365	K359-K363 VanDerWaalsContact O-CB 3.28Å; K359-K363 WeakPolarHBondContact O-CB 3.43Å; K359-K363 PolarHBondContact O-N 2.71Å; K363-H365 VanDerWaalsContact C-N 3.29Å; K363-H365 PolarHBondContact O-N 3.31Å
364	G	79.4	Confident	85.8	Confident	30 Å²	30	62.9 Å²	62.9	31%	0.309	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	3.8	176.4	0	0	0	0	0	115.3	V360 R362 L366	V360-G364 PolarHBondContact O-N 2.92Å; R362-G364 VanDerWaalsContact C-N 3.3Å; R362-G364 PolarHBondContact O-N 2.82Å; G364-L366 VanDerWaalsContact O-CD2 3.26Å; G364-L366 WeakPolarHBondContact O-CD2 3.31Å; G364-L366 PolarHBondContact O-N 3.21Å; G364-L366 VanDerWaalsContact O-N 3.15Å
365	H	83.4	Confident	86	Confident	162 Å²	162	63.4 Å²	63.4	75%	0.75	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	38.1	-174.8	-64.1	-70.8	0	0	0	114	V361 R362 K363	V361-H365 PolarHBondContact O-N 3.25Å; R362-H365 PolarHBondContact O-N 2.83Å; K363-H365 VanDerWaalsContact C-N 3.29Å; K363-H365 PolarHBondContact O-N 3.31Å
366	L	89.1	Confident	86.2	Confident	5 Å²	5	67 Å²	67	3%	0.026	34%	0.338	C	S	.	.			trans	-85.6	146.2	-176.9	-50.4	179.1	0	0	0	110.9	A335 L336 T343 V361 G364 F368 A373	A335-L366 HydrophobicContact CB-CD1 4.13Å; A335-L366 HydrophobicContact CB-CD2 3.36Å; A335-L366 HydrophobicContact CB-CG 4.39Å; L336-L366 HydrophobicContact CD2-CD1 4.06Å; L336-L366 HydrophobicContact CG-CD1 4.37Å; T343-L366 HydrophobicContact CG2-CD1 3.63Å; V361-L366 HydrophobicContact CG1-CB 4.18Å; V361-L366 HydrophobicContact CG2-CD1 4.4Å; V361-L366 PolarHBondContact O-N 2.77Å; G364-L366 VanDerWaalsContact O-CD2 3.26Å; G364-L366 WeakPolarHBondContact O-CD2 3.31Å; G364-L366 PolarHBondContact O-N 3.21Å; G364-L366 VanDerWaalsContact O-N 3.15Å; L366-F368 WeakPolarHBondContact O-CD1 3.45Å; L366-F368 PolarHBondContact O-N 3.02Å; L366-A373 HydrophobicContact CD2-CB 3.77Å
367	C	90.2	Very high	86.2	Confident	1 Å²	1	65 Å²	65	1%	0.007	33%	0.329	C	S	.	.			trans	-59	124.7	172.3	175.9	0	0	0	0	109.8	V369 C370 L371 N372 H375 C380	C367-V369 PolarHBondContact O-N 3.01Å; C367-V369 VanDerWaalsContact O-N 3.16Å; C367-V369 PolarHBondContact SG-N 3.26Å; C367-C370 VanDerWaalsContact SG-SG 3.68Å; C367-L371 WeakPolarHBondContact O-CA 3.49Å; C367-L371 PolarHBondContact O-N 2.99Å; C367-N372 VanDerWaalsContact CB-O 3.3Å; C367-N372 WeakPolarHBondContact CB-O 3.36Å; C367-N372 PolarHBondContact N-O 3.46Å; C367-H375 WeakPolarHBondContact CB-NE2 3.39Å; C367-H375 WeakPolarHBondContact CB-O 3.25Å; C367-H375 VanDerWaalsContact SG-CD2 3.57Å; C367-H375 PolarHBondContact SG-NE2 3.34Å; C367-C380 VanDerWaalsContact SG-SG 3.65Å
368	F	92.5	Very high	86	Confident	68 Å²	68	69.6 Å²	69.6	30%	0.298	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.8	-177.6	-52.3	-27.6	0	0	0	112.1	W358 V361 R362 L366 S377 H395 H396 L399	W358-F368 HydrophobicContact CH2-CD2 4.36Å; W358-F368 HydrophobicContact CH2-CG 4.48Å; W358-F368 HydrophobicContact CZ3-CB 4.46Å; W358-F368 HydrophobicContact CZ3-CD1 4.22Å; W358-F368 AromaticContact CZ3-CD2 3.86Å; W358-F368 HydrophobicContact CZ3-CD2 3.86Å; W358-F368 HydrophobicContact CZ3-CE1 4.42Å; W358-F368 HydrophobicContact CZ3-CE2 4.08Å; W358-F368 AromaticContact CZ3-CG 3.93Å; W358-F368 HydrophobicContact CZ3-CG 3.93Å; W358-F368 HydrophobicContact CZ3-CZ 4.35Å; V361-F368 HydrophobicContact CG1-CD1 3.34Å; V361-F368 HydrophobicContact CG1-CE1 3.64Å; R362-F368 HydrophobicContact CG-CE1 4.17Å; R362-F368 HydrophobicContact CG-CZ 4.06Å; L366-F368 WeakPolarHBondContact O-CD1 3.45Å; L366-F368 PolarHBondContact O-N 3.02Å; F368-S377 WeakPolarHBondContact CB-OG 3.28Å; F368-S377 PolarHBondContact N-OG 3.29Å; F368-H395 HydrophobicContact CB-CB 4.24Å; F368-H395 CarbonylContact O-C 3.36Å; F368-H395 VanDerWaalsContact O-CA 3.24Å; F368-H395 WeakPolarHBondContact O-CA 3.31Å; F368-H396 WeakPolarHBondContact O-CB 3.49Å; F368-H396 PolarHBondContact O-N 3.35Å; F368-L399 HydrophobicContact CB-CD1 4.1Å; F368-L399 WeakPolarHBondContact O-CD1 3.28Å
369	V	90.6	Very high	85.7	Confident	13 Å²	13	76 Å²	76	8%	0.079	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-47.6	-179.2	177.5	0	0	0	0	112.4	C367 C380 S382 F394 H396	C367-V369 PolarHBondContact O-N 3.01Å; C367-V369 VanDerWaalsContact O-N 3.16Å; C367-V369 PolarHBondContact SG-N 3.26Å; V369-C380 HydrophobicContact CB-CB 4.23Å; V369-C380 HydrophobicContact CG2-CB 4.47Å; V369-S382 VanDerWaalsContact CG1-O 3.31Å; V369-S382 WeakPolarHBondContact CG1-O 3.45Å; V369-F394 HydrophobicContact CG2-CB 4.17Å; V369-H396 WeakPolarHBondContact O-CA 3.48Å; V369-H396 VanDerWaalsContact O-CB 3.3Å; V369-H396 WeakPolarHBondContact O-CB 3.48Å; V369-H396 PolarHBondContact O-CD2 3.12Å; V369-H396 VanDerWaalsContact O-CD2 3.26Å
370	C	89.4	Confident	85.8	Confident	19 Å²	19	70.6 Å²	70.6	13%	0.128	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-3.2	-171.7	70.9	0	0	0	0	114.3	C367 N372 H375	C367-C370 VanDerWaalsContact SG-SG 3.68Å; C370-N372 PolarHBondContact O-N 3.46Å; C370-N372 VanDerWaalsContact O-N 3.14Å; C370-H375 PolarHBondContact SG-CE1 3.41Å; C370-H375 PolarHBondContact SG-NE2 3.2Å
371	L	89.6	Confident	85.7	Confident	0 Å²	0	74 Å²	74	0%	0	39%	0.385	C	S	.	.			trans	61	14	-178.8	-52.3	178.6	0	0	0	115.3	T343 A344 L349 V361 C367 H396 L398 L399	T343-L371 VanDerWaalsContact CB-O 3.26Å; T343-L371 WeakPolarHBondContact CB-O 3.28Å; T343-L371 HydrophobicContact CG2-CB 4.23Å; T343-L371 WeakPolarHBondContact CG2-O 3.45Å; T343-L371 PolarHBondContact OG1-O 2.96Å; A344-L371 HydrophobicContact CB-CD1 4.06Å; L349-L371 HydrophobicContact CD2-CD1 3.79Å; V361-L371 HydrophobicContact CG1-CD2 4.43Å; V361-L371 HydrophobicContact CG2-CD2 3.7Å; C367-L371 WeakPolarHBondContact O-CA 3.49Å; C367-L371 PolarHBondContact O-N 2.99Å; L371-H396 HydrophobicContact CD1-CB 4.03Å; L371-H396 VanDerWaalsContact CD1-CG 3.5Å; L371-H396 WeakPolarHBondContact CD1-ND1 3.42Å; L371-H396 HydrophobicContact CD2-CB 3.81Å; L371-H396 HydrophobicContact CG-CB 3.69Å; L371-L398 HydrophobicContact CD1-CB 4.43Å; L371-L398 HydrophobicContact CD1-CD1 3.91Å; L371-L399 HydrophobicContact CD2-CD1 3.71Å; L371-L399 HydrophobicContact CD2-CG 4.04Å
372	N	84.6	Confident	85.3	Confident	42 Å²	42	77.3 Å²	77.3	23%	0.225	41%	0.409	C	S	.	.			trans	-90.9	148.1	173.2	-65.1	-34.3	0	0	0	110.8	C367 C370	C367-N372 VanDerWaalsContact CB-O 3.3Å; C367-N372 WeakPolarHBondContact CB-O 3.36Å; C367-N372 PolarHBondContact N-O 3.46Å; C370-N372 PolarHBondContact O-N 3.46Å; C370-N372 VanDerWaalsContact O-N 3.14Å
373	A	81.2	Confident	85.2	Confident	60 Å²	60	75.8 Å²	75.8	50%	0.496	40%	0.403	S	S	.	.	S	Bend	trans	-72.5	164.9	170.1	0	0	0	0	0	111.8	L366	L366-A373 HydrophobicContact CD2-CB 3.77Å
374	G	80	Confident	85.3	Confident	82 Å²	82	74 Å²	74	85%	0.845	40%	0.395	S	S	*	.	S	Bend	trans	98.4	-8.6	168.7	0	0	0	0	0	116.5
375	H	86.8	Confident	85.4	Confident	53 Å²	53	74.1 Å²	74.1	25%	0.245	39%	0.393	C	S	.	.	S	Bend	trans	-151.5	158.5	175.2	62.4	-80.1	0	0	0	112.4	C367 C370 C380	C367-H375 WeakPolarHBondContact CB-NE2 3.39Å; C367-H375 WeakPolarHBondContact CB-O 3.25Å; C367-H375 VanDerWaalsContact SG-CD2 3.57Å; C367-H375 PolarHBondContact SG-NE2 3.34Å; C370-H375 PolarHBondContact SG-CE1 3.41Å; C370-H375 PolarHBondContact SG-NE2 3.2Å; H375-C380 VanDerWaalsContact CD2-CA 3.46Å; H375-C380 WeakPolarHBondContact CD2-CA 3.35Å; H375-C380 PolarHBondContact NE2-SG 3.41Å
376	R	85.9	Confident	85.4	Confident	214 Å²	214	66.9 Å²	66.9	81%	0.808	36%	0.361	S	S	*	.			trans	-87.5	155.9	174	-60.2	-173	-175.4	-152.7	1.7	110.5	L378 K379 C380	R376-L378 PolarHBondContact O-N 3.32Å; R376-K379 CarbonylContact O-C 3.41Å; R376-K379 PolarHBondContact O-N 3.37Å; R376-C380 PolarHBondContact O-N 3.05Å
377	S	83.4	Confident	84.6	Confident	21 Å²	21	73.8 Å²	73.8	15%	0.147	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-49.2	-32.8	177.3	-54.9	0	0	0	0	114.3	F368 K379 C380	F368-S377 WeakPolarHBondContact CB-OG 3.28Å; F368-S377 PolarHBondContact N-OG 3.29Å; S377-K379 VanDerWaalsContact C-N 3.34Å; S377-K379 PolarHBondContact O-N 2.9Å; S377-C380 WeakPolarHBondContact O-CB 3.5Å; S377-C380 PolarHBondContact O-N 3.03Å
378	L	84.2	Confident	83.8	Confident	140 Å²	140	77 Å²	77	73%	0.733	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-66.6	-32.6	178.7	-137.1	92.5	0	0	0	113.3	R376	R376-L378 PolarHBondContact O-N 3.32Å
379	K	84.3	Confident	82.7	Confident	178 Å²	178	82.5 Å²	82.5	77%	0.774	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-104	16.5	-179.5	-64	-167.6	176.8	-172.5	0	112.3	R376 S377 P381	R376-K379 CarbonylContact O-C 3.41Å; R376-K379 PolarHBondContact O-N 3.37Å; S377-K379 VanDerWaalsContact C-N 3.34Å; S377-K379 PolarHBondContact O-N 2.9Å; K379-P381 WeakPolarHBondContact O-CD 3.29Å
380	C	87.9	Confident	81.6	Confident	8 Å²	8	90.3 Å²	90.3	5%	0.054	48%	0.475	C	S	.	.			trans	-75.1	123.5	-178.5	-172.6	0	0	0	0	110.7	C367 V369 H375 R376 S377 S382 R383	C367-C380 VanDerWaalsContact SG-SG 3.65Å; V369-C380 HydrophobicContact CB-CB 4.23Å; V369-C380 HydrophobicContact CG2-CB 4.47Å; H375-C380 VanDerWaalsContact CD2-CA 3.46Å; H375-C380 WeakPolarHBondContact CD2-CA 3.35Å; H375-C380 PolarHBondContact NE2-SG 3.41Å; R376-C380 PolarHBondContact O-N 3.05Å; S377-C380 WeakPolarHBondContact O-CB 3.5Å; S377-C380 PolarHBondContact O-N 3.03Å; C380-S382 PolarHBondContact O-N 3.38Å; C380-S382 PolarHBondContact SG-N 2.94Å; C380-S382 VanDerWaalsContact SG-N 3.43Å; C380-R383 HydrophobicContact CB-CB 4.2Å; C380-R383 WeakPolarHBondContact O-CB 3.44Å; C380-R383 PolarHBondContact O-N 3.03Å
381	P	81.5	Confident	80.9	Confident	122 Å²	122	90 Å²	90	79%	0.792	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.8	174.3	21.4	-28.5	0	0	0	112.2	K379 R383	K379-P381 WeakPolarHBondContact O-CD 3.29Å; P381-R383 VanDerWaalsContact C-N 3.33Å
382	S	79.5	Confident	80.2	Confident	70 Å²	70	97.4 Å²	97.4	49%	0.49	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	15.8	173.2	-46.3	0	0	0	0	113.6	V369 C380 K384	V369-S382 VanDerWaalsContact CG1-O 3.31Å; V369-S382 WeakPolarHBondContact CG1-O 3.45Å; C380-S382 PolarHBondContact O-N 3.38Å; C380-S382 PolarHBondContact SG-N 2.94Å; C380-S382 VanDerWaalsContact SG-N 3.43Å; S382-K384 PolarHBondContact O-N 3.19Å
383	R	85.3	Confident	80.2	Confident	115 Å²	115	103 Å²	103	43%	0.434	53%	0.526	S	S	.	.			trans	-58.9	102.3	-177.9	-173.9	175.4	-179.5	-130.8	-3.5	111.3	C380 P381 F394	C380-R383 HydrophobicContact CB-CB 4.2Å; C380-R383 WeakPolarHBondContact O-CB 3.44Å; C380-R383 PolarHBondContact O-N 3.03Å; P381-R383 VanDerWaalsContact C-N 3.33Å; R383-F394 HydrophobicContact CG-CD1 3.67Å; R383-F394 HydrophobicContact CG-CE1 4.13Å; R383-F394 HydrophobicContact CG-CG 4.39Å
384	K	82.2	Confident	80.4	Confident	152 Å²	152	104.4 Å²	104.4	66%	0.661	52%	0.521	S	S	*	.			trans	-133.7	151.1	171.2	-59.9	-175	-177	-175.2	0	108.2	S382	S382-K384 PolarHBondContact O-N 3.19Å
385	A	82.6	Confident	80.9	Confident	31 Å²	31	101 Å²	101	26%	0.256	48%	0.483	S	S	.	.			trans	-59.4	152.9	171.1	0	0	0	0	0	109.6	L387 F394	A385-L387 PolarHBondContact O-N 3.21Å; A385-F394 HydrophobicContact CB-CE1 4.38Å
386	C	82	Confident	81	Confident	11 Å²	11	100.4 Å²	100.4	7%	0.074	48%	0.48	C	S	.	.			trans	-53.5	134.6	177.4	-168	0	0	0	0	109.8	I388 C391 R393 H400	C386-I388 PolarHBondContact O-N 3.22Å; C386-C391 HydrophobicContact CB-CB 3.82Å; C386-C391 VanDerWaalsContact CB-SG 3.52Å; C386-R393 WeakPolarHBondContact CB-O 3.37Å; C386-R393 PolarHBondContact N-O 2.57Å; C386-H400 VanDerWaalsContact SG-CD2 3.58Å
387	L	73.6	Confident	80.9	Confident	149 Å²	149	93 Å²	93	78%	0.78	46%	0.459	S	S	*	.	S	Bend	trans	-77.8	-3.5	-177.4	-61.3	176.8	0	0	0	113	A385	A385-L387 PolarHBondContact O-N 3.21Å
388	I	73.8	Confident	81	Confident	69 Å²	69	93.5 Å²	93.5	35%	0.354	46%	0.461	S	S	.	.	S	Bend	trans	-75.3	125.2	173.3	-61	-172.5	0	0	0	107.9	C386 Q390 C391 P397 H400	C386-I388 PolarHBondContact O-N 3.22Å; I388-Q390 PolarHBondContact O-N 3.44Å; I388-C391 WeakPolarHBondContact O-CB 3.44Å; I388-C391 PolarHBondContact O-N 3.21Å; I388-P397 HydrophobicContact CD1-CB 4.41Å; I388-P397 HydrophobicContact CG1-CB 4.46Å; I388-H400 HydrophobicContact CD1-CB 3.56Å
389	Q	69.3	Low	81.2	Confident	183 Å²	183	86.9 Å²	86.9	86%	0.855	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	139.9	179.9	-76.1	-177.7	-23.4	0	0	110.9	C391	Q389-C391 PolarHBondContact O-N 3.21Å
390	Q	66.7	Low	81.1	Confident	178 Å²	178	79.8 Å²	79.8	83%	0.832	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	-3.3	-173	-52.6	-169.2	-5.8	0	0	116.9	I388	I388-Q390 PolarHBondContact O-N 3.44Å
391	C	75.1	Confident	80.3	Confident	13 Å²	13	81.7 Å²	81.7	9%	0.088	41%	0.407	C	S	.	.			trans	-96.5	104.6	172.3	-170.6	0	0	0	0	112.6	C386 I388 Q389 R393 H395 H400	C386-C391 HydrophobicContact CB-CB 3.82Å; C386-C391 VanDerWaalsContact CB-SG 3.52Å; I388-C391 WeakPolarHBondContact O-CB 3.44Å; I388-C391 PolarHBondContact O-N 3.21Å; Q389-C391 PolarHBondContact O-N 3.21Å; C391-R393 VanDerWaalsContact C-N 3.31Å; C391-H395 PolarHBondContact SG-NE2 3.38Å; C391-H400 WeakPolarHBondContact CB-NE2 3.23Å; C391-H400 PolarHBondContact SG-CD2 3.46Å; C391-H400 PolarHBondContact SG-NE2 2.94Å
392	Q	75	Confident	79	Confident	154 Å²	154	82.4 Å²	82.4	72%	0.72	40%	0.404	S	S	*	.			trans	-89.9	7.7	175.2	-61.5	-64.7	-20.4	0	0	113.1
393	R	83.8	Confident	77.3	Confident	160 Å²	160	83.3 Å²	83.3	60%	0.604	41%	0.407	S	S	*	.	S	Bend	trans	-82.4	152.2	-178.9	-65.3	-177.2	177.9	167.1	0.9	111.4	C386 C391 H395	C386-R393 WeakPolarHBondContact CB-O 3.37Å; C386-R393 PolarHBondContact N-O 2.57Å; C391-R393 VanDerWaalsContact C-N 3.31Å; R393-H395 PolarHBondContact O-N 2.97Å
394	F	86.1	Confident	75.1	Confident	90 Å²	90	84.5 Å²	84.5	40%	0.395	42%	0.421	S	S	.	.			trans	-94.1	83.4	-179.6	-63	-84.1	0	0	0	111.5	V369 R383 A385	V369-F394 HydrophobicContact CG2-CB 4.17Å; R383-F394 HydrophobicContact CG-CD1 3.67Å; R383-F394 HydrophobicContact CG-CE1 4.13Å; R383-F394 HydrophobicContact CG-CG 4.39Å; A385-F394 HydrophobicContact CB-CE1 4.38Å
395	H	89.4	Confident	72.6	Confident	11 Å²	11	81.6 Å²	81.6	5%	0.051	43%	0.426	C	S	.	.	S	Bend	trans	-152.9	160.7	177.1	67.1	144	0	0	0	111.6	W358 F368 C391 R393 L399 H400	W358-H395 HydrophobicContact CH2-CB 4.24Å; W358-H395 HydrophobicContact CZ2-CB 4.47Å; W358-H395 AromaticContact CZ2-ND1 3.56Å; F368-H395 HydrophobicContact CB-CB 4.24Å; F368-H395 CarbonylContact O-C 3.36Å; F368-H395 VanDerWaalsContact O-CA 3.24Å; F368-H395 WeakPolarHBondContact O-CA 3.31Å; C391-H395 PolarHBondContact SG-NE2 3.38Å; R393-H395 PolarHBondContact O-N 2.97Å; H395-L399 PolarHBondContact CE1-O 2.94Å; H395-L399 PolarHBondContact ND1-O 3.14Å; H395-H400 AromaticContact CE1-CD2 3.67Å; H395-H400 AromaticContact NE2-CD2 3.57Å
396	H	89.2	Confident	70.1	Confident	40 Å²	40	91.2 Å²	91.2	19%	0.185	46%	0.455	C	S	.	.			trans	-68.8	138.1	-179.4	-166.6	-88	0	0	0	108.4	F368 V369 L371 L398 L399	F368-H396 WeakPolarHBondContact O-CB 3.49Å; F368-H396 PolarHBondContact O-N 3.35Å; V369-H396 WeakPolarHBondContact O-CA 3.48Å; V369-H396 VanDerWaalsContact O-CB 3.3Å; V369-H396 WeakPolarHBondContact O-CB 3.48Å; V369-H396 PolarHBondContact O-CD2 3.12Å; V369-H396 VanDerWaalsContact O-CD2 3.26Å; L371-H396 HydrophobicContact CD1-CB 4.03Å; L371-H396 VanDerWaalsContact CD1-CG 3.5Å; L371-H396 WeakPolarHBondContact CD1-ND1 3.42Å; L371-H396 HydrophobicContact CD2-CB 3.81Å; L371-H396 HydrophobicContact CG-CB 3.69Å; H396-L398 WeakPolarHBondContact ND1-CB 3.41Å; H396-L398 WeakPolarHBondContact ND1-CG 3.26Å; H396-L398 PolarHBondContact ND1-N 3.08Å; H396-L398 PolarHBondContact O-N 2.98Å; H396-L399 HydrophobicContact CB-CD1 4.45Å; H396-L399 WeakPolarHBondContact O-CB 3.31Å; H396-L399 PolarHBondContact O-N 2.85Å
397	P	84.5	Confident	67.4	Low	57 Å²	57	99.6 Å²	99.6	37%	0.37	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-53.9	-28.3	-178.9	-28.7	35.4	0	0	0	114.7	I388 L399 H400	I388-P397 HydrophobicContact CD1-CB 4.41Å; I388-P397 HydrophobicContact CG1-CB 4.46Å; P397-L399 PolarHBondContact O-N 3Å; P397-H400 WeakPolarHBondContact O-CB 3.32Å; P397-H400 PolarHBondContact O-N 3.4Å; P397-H400 VanDerWaalsContact O-N 3.07Å
398	L	85.7	Confident	65.1	Low	33 Å²	33	99.5 Å²	99.5	17%	0.173	50%	0.499	C	S	.	.	G	3₁₀ helix	trans	-64.9	-24.2	175	-67.1	175.3	0	0	0	114.2	A344 L349 L350 R357 L371 H396 H400	A344-L398 HydrophobicContact CB-CD1 4.42Å; A344-L398 WeakPolarHBondContact O-CD1 3.22Å; L349-L398 HydrophobicContact CD2-CD1 4.19Å; L350-L398 HydrophobicContact CD2-CD1 3.88Å; L350-L398 HydrophobicContact CD2-CD2 3.69Å; L350-L398 HydrophobicContact CD2-CG 4.47Å; R357-L398 WeakPolarHBondContact CD-O 3.42Å; R357-L398 PolarHBondContact NH1-O 3.28Å; L371-L398 HydrophobicContact CD1-CB 4.43Å; L371-L398 HydrophobicContact CD1-CD1 3.91Å; H396-L398 WeakPolarHBondContact ND1-CB 3.41Å; H396-L398 WeakPolarHBondContact ND1-CG 3.26Å; H396-L398 PolarHBondContact ND1-N 3.08Å; H396-L398 PolarHBondContact O-N 2.98Å; L398-H400 VanDerWaalsContact C-N 3.33Å
399	L	87.4	Confident	62.7	Low	0 Å²	0	105.5 Å²	105.5	0%	0	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-92.9	7.1	175.4	-59.6	173.9	0	0	0	112	R357 W358 V361 F368 L371 H395 H396 P397 T401	R357-L399 HydrophobicContact CB-CD2 3.86Å; W358-L399 HydrophobicContact CD2-CB 4.33Å; W358-L399 HydrophobicContact CD2-CD2 4.38Å; W358-L399 VanDerWaalsContact CE2-O 3.29Å; W358-L399 HydrophobicContact CG-CD2 4.41Å; W358-L399 HydrophobicContact CH2-CD1 4.46Å; W358-L399 HydrophobicContact CZ2-CB 3.94Å; W358-L399 HydrophobicContact CZ3-CD1 4.38Å; W358-L399 PolarHBondContact NE1-O 3.36Å; V361-L399 HydrophobicContact CB-CD1 4.44Å; V361-L399 HydrophobicContact CB-CD2 4.07Å; V361-L399 HydrophobicContact CG1-CD1 3.94Å; V361-L399 HydrophobicContact CG1-CD2 4.46Å; V361-L399 HydrophobicContact CG2-CD1 4.28Å; V361-L399 HydrophobicContact CG2-CD2 3.64Å; V361-L399 HydrophobicContact CG2-CG 4.43Å; F368-L399 HydrophobicContact CB-CD1 4.1Å; F368-L399 WeakPolarHBondContact O-CD1 3.28Å; L371-L399 HydrophobicContact CD2-CD1 3.71Å; L371-L399 HydrophobicContact CD2-CG 4.04Å; H395-L399 PolarHBondContact CE1-O 2.94Å; H395-L399 PolarHBondContact ND1-O 3.14Å; H396-L399 HydrophobicContact CB-CD1 4.45Å; H396-L399 WeakPolarHBondContact O-CB 3.31Å; H396-L399 PolarHBondContact O-N 2.85Å; P397-L399 PolarHBondContact O-N 3Å; L399-T401 PolarHBondContact O-N 3.27Å
400	H	82.9	Confident	60.5	Low	29 Å²	29	103.9 Å²	103.9	13%	0.134	53%	0.525	C	S	.	.			trans	-71.4	107.5	179	-162.9	-81.1	0	0	0	110.4	V354 C386 I388 C391 H395 P397 L398	V354-H400 WeakPolarHBondContact CG1-O 3.48Å; C386-H400 VanDerWaalsContact SG-CD2 3.58Å; I388-H400 HydrophobicContact CD1-CB 3.56Å; C391-H400 WeakPolarHBondContact CB-NE2 3.23Å; C391-H400 PolarHBondContact SG-CD2 3.46Å; C391-H400 PolarHBondContact SG-NE2 2.94Å; H395-H400 AromaticContact CE1-CD2 3.67Å; H395-H400 AromaticContact NE2-CD2 3.57Å; P397-H400 WeakPolarHBondContact O-CB 3.32Å; P397-H400 PolarHBondContact O-N 3.4Å; P397-H400 VanDerWaalsContact O-N 3.07Å; L398-H400 VanDerWaalsContact C-N 3.33Å
401	T	70.3	Confident	58.5	Low	48 Å²	48	98.5 Å²	98.5	29%	0.294	52%	0.518	S	S	.	.			trans	-73.2	122.7	161.6	32.2	0	0	0	0	107.2	V354 L399 V403	V354-T401 HydrophobicContact CB-CG2 4.38Å; V354-T401 HydrophobicContact CG1-CG2 3.53Å; L399-T401 PolarHBondContact O-N 3.27Å; T401-V403 WeakPolarHBondContact O-CG2 3.4Å; T401-V403 PolarHBondContact O-N 3.14Å
402	D	54.4	Low	56	Low	138 Å²	138	106.4 Å²	106.4	74%	0.738	56%	0.558	S	S	*	*			trans	-57.2	105.8	162.3	-111.6	-24.5	0	0	0	106.8	D404	D402-D404 PolarHBondContact O-N 2.89Å
403	V	44.2	Very low	53.6	Low	89 Å²	89	105.5 Å²	105.5	54%	0.539	56%	0.562	S	S	.	*	S	Bend	trans	-76.7	-8.3	-179.6	-178.7	0	0	0	0	111	T401 A405	T401-V403 WeakPolarHBondContact O-CG2 3.4Å; T401-V403 PolarHBondContact O-N 3.14Å; V403-A405 PolarHBondContact O-N 3Å
404	D	38.4	Very low	50.9	Low	139 Å²	139	107.4 Å²	107.4	74%	0.743	57%	0.57	S	S	*	*			trans	-97.5	38.8	-175.1	-72.5	-17.7	0	0	0	114.9	D402	D402-D404 PolarHBondContact O-N 2.89Å
405	A	30.4	Very low	48.3	Very low	92 Å²	92	112.6 Å²	112.6	76%	0.76	60%	0.595	S	S	*	*			trans	-112.7	29.3	167.6	0	0	0	0	0	113.5	V403	V403-A405 PolarHBondContact O-N 3Å
406	R	30.7	Very low	45.7	Very low	232 Å²	232	119.6 Å²	119.6	88%	0.875	62%	0.621	S	S	*	*	S	Bend	trans	-119.2	100	157.5	-78.6	-173	177.7	-179.3	-0.7	110.1
407	Q	25.2	Very low	43.7	Very low	187 Å²	187	122.9 Å²	122.9	87%	0.874	64%	0.637	S	S	*	*	S	Bend	trans	44.1	86.6	153.1	-67.8	-179.2	-15	0	0	117.5
408	V	25	Very low	42.1	Very low	148 Å²	148	128.9 Å²	128.9	90%	0.897	65%	0.652	S	S	*	*				-146.5	127.5	124.9	-175.4	0	0	0	0	107.5
409	K	23.6	Very low	41.1	Very low	194 Å²	194	127.5 Å²	127.5	84%	0.843	65%	0.645	S	S	*	*			trans	-66.7	149.6	-178.7	-70.4	172.2	167.8	173	0	111.2
410	V	23.3	Very low	40.3	Very low	149 Å²	149	129.3 Å²	129.3	90%	0.903	66%	0.656	S	S	*	*	S	Bend	trans	85.1	112.9	155.1	-156.6	0	0	0	0	117.4
411	G	23.8	Very low	40	Very low	66 Å²	66	132.6 Å²	132.6	68%	0.68	68%	0.679	S	S	*	*			trans	134.7	26.4	145.6	0	0	0	0	0	120.5	V413	G411-V413 PolarHBondContact O-N 2.67Å; G411-V413 VanDerWaalsContact O-N 3.12Å
412	L	23.3	Very low	40.7	Very low	178 Å²	178	131.4 Å²	131.4	93%	0.932	67%	0.668	S	S	*	*			trans	-76.5	103.1	-179.6	-115.5	122.6	0	0	0	113.3	R414	L412-R414 PolarHBondContact O-N 2.78Å; L412-R414 VanDerWaalsContact O-N 3.09Å
413	V	24.6	Very low	42.2	Very low	135 Å²	135	128.1 Å²	128.1	82%	0.818	65%	0.651	S	S	*	*			trans	-69.1	97	169.2	179	0	0	0	0	109.2	G411 Q415	G411-V413 PolarHBondContact O-N 2.67Å; G411-V413 VanDerWaalsContact O-N 3.12Å; V413-Q415 PolarHBondContact O-N 2.65Å; V413-Q415 VanDerWaalsContact O-N 3.14Å
414	R	26.4	Very low	44.5	Very low	201 Å²	201	125.3 Å²	125.3	76%	0.758	63%	0.632	S	S	*	*			trans	-62.7	111.3	172.4	-167.9	174.8	-179.2	-178.6	1.8	109.2	L412 R416	L412-R414 PolarHBondContact O-N 2.78Å; L412-R414 VanDerWaalsContact O-N 3.09Å; R414-R416 PolarHBondContact O-N 2.89Å
415	Q	31.3	Very low	47.1	Very low	198 Å²	198	118.9 Å²	118.9	93%	0.925	60%	0.598	S	S	*	*			trans	-64.1	83.3	166.3	-117.6	-168.4	-13.1	0	0	108.4	V413 Q417	V413-Q415 PolarHBondContact O-N 2.65Å; V413-Q415 VanDerWaalsContact O-N 3.14Å; Q415-Q417 PolarHBondContact O-N 3.22Å
416	R	36.3	Very low	50.1	Low	158 Å²	158	114.5 Å²	114.5	60%	0.596	56%	0.561	S	S	*	*			trans	-64.6	122	176.3	-99.2	175.5	164.2	154.3	-3.1	108	R414 R418	R414-R416 PolarHBondContact O-N 2.89Å; R416-R418 PolarHBondContact O-N 3.06Å
417	Q	47	Very low	53.1	Low	110 Å²	110	104.2 Å²	104.2	51%	0.514	52%	0.523	S	S	.	.			trans	-49.7	114.3	151.6	-97	-177.1	-30.7	0	0	106.9	Q415 S419 T420 Y592	Q415-Q417 PolarHBondContact O-N 3.22Å; Q417-S419 VanDerWaalsContact C-N 3.35Å; Q417-T420 HydrophobicContact CB-CG2 4.4Å; Q417-Y592 PolarHBondContact NE2-O 2.89Å
418	R	50.8	Low	56.5	Low	182 Å²	182	95.3 Å²	95.3	69%	0.687	48%	0.482	S	S	*	.	S	Bend	trans	-77.3	-24.5	-165.7	-92.7	-171	179.1	-178	-0.4	112.1	R416 G587 K588	R416-R418 PolarHBondContact O-N 3.06Å; R418-G587 CarbonylContact O-C 3.59Å; R418-G587 WeakPolarHBondContact O-CA 3.2Å; R418-K588 VanDerWaalsContact CB-O 3.26Å; R418-K588 WeakPolarHBondContact CB-O 3.35Å; R418-K588 CarbonylContact O-C 3.6Å; R418-K588 VanDerWaalsContact O-C 3.22Å; R418-K588 PolarHBondContact O-N 3.23Å
419	S	63.2	Low	59.8	Low	5 Å²	5	91.7 Å²	91.7	4%	0.035	45%	0.454	C	S	.	.			trans	-146.7	138.2	174.9	177.8	0	0	0	0	111.2	Q417 K585 V586 G589	Q417-S419 VanDerWaalsContact C-N 3.35Å; S419-K585 VanDerWaalsContact OG-CE 3.24Å; S419-K585 WeakPolarHBondContact OG-CE 3.43Å; S419-V586 CarbonylContact C-O 3.57Å; S419-V586 WeakPolarHBondContact CA-O 3.27Å; S419-G589 WeakPolarHBondContact CB-O 3.45Å
420	T	71.7	Confident	63.2	Low	38 Å²	38	82.4 Å²	82.4	23%	0.233	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151.4	173.6	57	0	0	0	0	109.7	Q417 W422 V586	Q417-T420 HydrophobicContact CB-CG2 4.4Å; T420-W422 PolarHBondContact OG1-NE1 3.33Å; T420-V586 PolarHBondContact N-O 3.36Å; T420-V586 PolarHBondContact O-N 2.93Å
421	T	75.9	Confident	66.5	Low	98 Å²	98	76.4 Å²	76.4	60%	0.601	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.5	172.5	-57.9	0	0	0	0	109.1
422	W	85.3	Confident	69.7	Low	22 Å²	22	73.8 Å²	73.8	8%	0.083	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.7	178	-65	-1.7	0	0	0	110.2	T420 P521 L523 W527 F539 P571 L582 C583 G584 V586	T420-W422 PolarHBondContact OG1-NE1 3.33Å; W422-P521 HydrophobicContact CH2-CG 4.09Å; W422-P521 HydrophobicContact CZ2-CG 3.46Å; W422-P521 VanDerWaalsContact CZ2-CG 3.46Å; W422-L523 HydrophobicContact CH2-CD2 4.19Å; W422-L523 HydrophobicContact CZ3-CD2 4.28Å; W422-W527 AromaticContact CH2-CH2 3.84Å; W422-W527 HydrophobicContact CH2-CH2 3.84Å; W422-W527 AromaticContact CH2-CZ3 3.83Å; W422-W527 HydrophobicContact CH2-CZ3 3.83Å; W422-W527 HydrophobicContact CZ2-CH2 4.33Å; W422-W527 HydrophobicContact CZ3-CZ3 4.44Å; W422-F539 AromaticContact CE3-CE1 3.99Å; W422-F539 HydrophobicContact CE3-CE1 3.99Å; W422-F539 HydrophobicContact CE3-CZ 4.42Å; W422-F539 HydrophobicContact CH2-CD1 4.35Å; W422-F539 AromaticContact CH2-CE1 3.97Å; W422-F539 HydrophobicContact CH2-CE1 3.97Å; W422-F539 HydrophobicContact CZ3-CD1 4.3Å; W422-F539 AromaticContact CZ3-CE1 3.57Å; W422-F539 HydrophobicContact CZ3-CE1 3.57Å; W422-F539 HydrophobicContact CZ3-CZ 4.23Å; W422-P571 HydrophobicContact CE3-CB 4.1Å; W422-P571 HydrophobicContact CZ3-CB 4.02Å; W422-P571 HydrophobicContact CZ3-CG 4.24Å; W422-L582 HydrophobicContact CE3-CB 4.13Å; W422-L582 HydrophobicContact CZ3-CB 4.21Å; W422-L582 HydrophobicContact CZ3-CD1 4.27Å; W422-C583 WeakPolarHBondContact O-CA 3.26Å; W422-G584 PolarHBondContact N-O 3.31Å; W422-G584 PolarHBondContact O-N 3.39Å; W422-V586 HydrophobicContact CD2-CG2 3.77Å; W422-V586 HydrophobicContact CE3-CG2 4.06Å; W422-V586 HydrophobicContact CG-CG2 4.17Å; W422-V586 HydrophobicContact CH2-CG2 4.47Å; W422-V586 HydrophobicContact CZ2-CB 4.37Å; W422-V586 HydrophobicContact CZ2-CG1 4.15Å; W422-V586 HydrophobicContact CZ2-CG2 4.18Å; W422-V586 HydrophobicContact CZ3-CG2 4.41Å
423	L	86.2	Confident	72.5	Confident	69 Å²	69	70.5 Å²	70.5	36%	0.361	34%	0.339	S	S	.	.			trans	-74.6	159.7	170.9	-61	179	0	0	0	110.1	T425 L517	L423-T425 HydrophobicContact CB-CG2 4.37Å; L423-T425 PolarHBondContact O-N 3.45Å; L423-T425 VanDerWaalsContact O-N 3.08Å; L423-L517 HydrophobicContact CD1-CD2 4.38Å
424	Q	92.2	Very high	75.2	Confident	31 Å²	31	68 Å²	68	15%	0.145	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	95.8	173.7	-72.1	-179.6	-1.5	0	0	110	F444 Y555 I581 C583	Q424-F444 HydrophobicContact CB-CB 3.85Å; Q424-F444 PolarHBondContact O-N 2.79Å; Q424-Y555 PolarHBondContact NE2-OH 3.27Å; Q424-Y555 PolarHBondContact OE1-OH 3.24Å; Q424-I581 HydrophobicContact CB-CG2 3.76Å; Q424-I581 HydrophobicContact CG-CG2 3.94Å; Q424-C583 HydrophobicContact CG-CB 3.62Å
425	T	92.5	Very high	77.9	Confident	4 Å²	4	61 Å²	61	3%	0.025	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	148.8	179.6	55.9	0	0	0	0	111.2	L423 C442 V443 L517 Q520 D537	L423-T425 HydrophobicContact CB-CG2 4.37Å; L423-T425 PolarHBondContact O-N 3.45Å; L423-T425 VanDerWaalsContact O-N 3.08Å; T425-C442 WeakPolarHBondContact CA-O 3.5Å; T425-V443 HydrophobicContact CG2-CG2 4.11Å; T425-L517 HydrophobicContact CG2-CD1 3.63Å; T425-L517 HydrophobicContact CG2-CD2 4.37Å; T425-Q520 PolarHBondContact OG1-NE2 2.74Å; T425-D537 WeakPolarHBondContact CB-OD2 3.35Å; T425-D537 PolarHBondContact OG1-OD2 3.18Å
426	A	94	Very high	80.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.3	172.8	0	0	0	0	0	110.1	C442 F444 A536 L578	A426-C442 PolarHBondContact N-O 3.11Å; A426-C442 PolarHBondContact O-N 3.29Å; A426-F444 HydrophobicContact CB-CE2 3.91Å; A426-A536 CarbonylContact C-O 3.57Å; A426-A536 WeakPolarHBondContact CA-O 3.43Å; A426-A536 HydrophobicContact CB-CB 3.82Å; A426-L578 HydrophobicContact CB-CB 4.48Å; A426-L578 HydrophobicContact CB-CD1 3.97Å
427	I	94.8	Very high	83.3	Confident	15 Å²	15	52.7 Å²	52.7	8%	0.077	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.8	165.3	-46.2	-179.3	0	0	0	107.2	I439 V440 I495 A536 D537 K538	I427-I439 HydrophobicContact CG2-CG2 3.43Å; I427-I439 VanDerWaalsContact CG2-CG2 3.43Å; I427-V440 WeakPolarHBondContact CA-O 3.34Å; I427-I495 HydrophobicContact CB-CD1 3.73Å; I427-I495 HydrophobicContact CG2-CD1 3.52Å; I427-A536 PolarHBondContact N-O 3.43Å; I427-D537 WeakPolarHBondContact CG1-OD1 3.4Å; I427-K538 HydrophobicContact CD1-CB 4.16Å; I427-K538 HydrophobicContact CD1-CD 3.82Å; I427-K538 HydrophobicContact CD1-CG 3.77Å
428	A	95	Very high	85.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	161.6	-176.2	0	0	0	0	0	111.2	I439 V440 L492 K493 L578	A428-I439 CarbonylContact O-C 3.22Å; A428-I439 WeakPolarHBondContact O-CA 3.47Å; A428-V440 HydrophobicContact CB-CG2 4.1Å; A428-V440 PolarHBondContact N-O 3.41Å; A428-V440 PolarHBondContact O-N 2.91Å; A428-L492 HydrophobicContact CB-CB 4.3Å; A428-L492 HydrophobicContact CB-CD2 4.25Å; A428-K493 WeakPolarHBondContact CA-O 3.42Å; A428-L578 HydrophobicContact CB-CD1 3.93Å; A428-L578 HydrophobicContact CB-CD2 4.01Å
429	K	94.2	Very high	87.6	Confident	72 Å²	72	44.7 Å²	44.7	31%	0.313	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115	165.7	-174.1	176.4	-178.3	-174	0	108.6	M437 A438 I439 L492 K493	K429-M437 WeakPolarHBondContact CE-SD 3.36Å; K429-M437 PolarHBondContact NZ-SD 3.48Å; K429-A438 CarbonylContact C-O 3.59Å; K429-I439 HydrophobicContact CB-CD1 4Å; K429-I439 HydrophobicContact CG-CD1 4.11Å; K429-L492 CarbonylContact O-C 2.98Å; K429-L492 WeakPolarHBondContact O-CA 3.48Å; K429-K493 HydrophobicContact CB-CB 4.39Å; K429-K493 PolarHBondContact N-O 3.45Å; K429-K493 PolarHBondContact O-N 3.44Å
430	L	96.5	Very high	89.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.5	172.4	-171.2	161.3	0	0	0	109.2	C432 M437 A438 V440 I453 L461 F490 T491 L492 V548	L430-C432 WeakPolarHBondContact CD2-SG 3.47Å; L430-M437 CarbonylContact O-C 3.46Å; L430-M437 WeakPolarHBondContact O-CA 3.45Å; L430-M437 WeakPolarHBondContact O-CB 3.46Å; L430-A438 PolarHBondContact N-O 3.34Å; L430-A438 PolarHBondContact O-N 2.81Å; L430-V440 HydrophobicContact CB-CG1 3.81Å; L430-V440 HydrophobicContact CB-CG2 3.93Å; L430-V440 HydrophobicContact CD1-CG1 4.03Å; L430-I453 HydrophobicContact CD1-CD1 3.86Å; L430-L461 HydrophobicContact CD1-CD1 4.19Å; L430-L461 HydrophobicContact CD2-CD1 3.57Å; L430-L461 HydrophobicContact CG-CD1 4.44Å; L430-F490 HydrophobicContact CD1-CD1 4.47Å; L430-F490 HydrophobicContact CD1-CD2 3.64Å; L430-F490 HydrophobicContact CD1-CE2 3.82Å; L430-F490 HydrophobicContact CD1-CG 3.99Å; L430-F490 HydrophobicContact CD1-CZ 4.32Å; L430-F490 HydrophobicContact CD2-CB 3.92Å; L430-F490 HydrophobicContact CD2-CD2 4.31Å; L430-F490 HydrophobicContact CD2-CG 4.2Å; L430-F490 HydrophobicContact CG-CB 4.2Å; L430-F490 HydrophobicContact CG-CD2 3.64Å; L430-F490 HydrophobicContact CG-CE2 4.25Å; L430-F490 HydrophobicContact CG-CG 4.02Å; L430-T491 CarbonylContact C-O 3.58Å; L430-T491 WeakPolarHBondContact CA-O 3.45Å; L430-L492 HydrophobicContact CB-CD2 3.73Å; L430-L492 HydrophobicContact CD1-CD2 4.23Å; L430-L492 HydrophobicContact CG-CD2 3.93Å; L430-V548 HydrophobicContact CD1-CG2 4.26Å
431	C	92.6	Very high	90.2	Very high	22 Å²	22	43.4 Å²	43.4	15%	0.149	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.4	177.1	-62.4	0	0	0	0	110	M437 T491	C431-M437 HydrophobicContact CB-CG 4.35Å; C431-T491 PolarHBondContact N-O 2.99Å; C431-T491 PolarHBondContact O-N 3.13Å
432	C	89.9	Confident	91.1	Very high	11 Å²	11	38.7 Å²	38.7	7%	0.074	22%	0.222	C	C	.	.			trans	-90.3	154.5	179.6	-62.4	0	0	0	0	111.5	L430 N434 G435 N436 L463	L430-C432 WeakPolarHBondContact CD2-SG 3.47Å; C432-N434 WeakPolarHBondContact CB-OD1 3.43Å; C432-N434 PolarHBondContact O-N 3.05Å; C432-G435 PolarHBondContact O-N 3.15Å; C432-N436 HydrophobicContact CB-CB 4.21Å; C432-N436 WeakPolarHBondContact CB-O 3.28Å; C432-N436 PolarHBondContact N-O 3.1Å; C432-L463 HydrophobicContact CB-CD2 3.84Å; C432-L463 VanDerWaalsContact SG-CD2 3.57Å
433	P	81.6	Confident	91.5	Very high	110 Å²	110	37.9 Å²	37.9	71%	0.714	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.8	174.1	-23.7	33.9	0	0	0	113.9	G435	P433-G435 PolarHBondContact O-N 3.07Å
434	N	81.9	Confident	91.9	Very high	83 Å²	83	35 Å²	35	44%	0.444	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	3.7	176	65.4	3.9	0	0	0	113.9	C432 N436 L461	C432-N434 WeakPolarHBondContact CB-OD1 3.43Å; C432-N434 PolarHBondContact O-N 3.05Å; N434-N436 PolarHBondContact ND2-ND2 3.21Å; N434-N436 WeakPolarHBondContact OD1-CB 3.39Å; N434-N436 PolarHBondContact OD1-N 3.1Å; N434-L461 PolarHBondContact ND2-O 3.4Å
435	G	82.4	Confident	91.6	Very high	52 Å²	52	34.8 Å²	34.8	54%	0.536	20%	0.203	S	C	.	.	S	Bend	trans	89.2	-12.1	-179.4	0	0	0	0	0	115.3	C432 P433	C432-G435 PolarHBondContact O-N 3.15Å; P433-G435 PolarHBondContact O-N 3.07Å
436	N	90.3	Very high	91.1	Very high	76 Å²	76	36.9 Å²	36.9	41%	0.406	22%	0.221	S	C	.	.			trans	-65.4	149.1	177.3	-70.3	-20.6	0	0	0	111.7	C432 N434 L461	C432-N436 HydrophobicContact CB-CB 4.21Å; C432-N436 WeakPolarHBondContact CB-O 3.28Å; C432-N436 PolarHBondContact N-O 3.1Å; N434-N436 PolarHBondContact ND2-ND2 3.21Å; N434-N436 WeakPolarHBondContact OD1-CB 3.39Å; N434-N436 PolarHBondContact OD1-N 3.1Å; N436-L461 HydrophobicContact CB-CD2 4Å; N436-L461 PolarHBondContact ND2-O 2.9Å; N436-L461 VanDerWaalsContact ND2-O 3.09Å
437	M	91.3	Very high	90.1	Very high	107 Å²	107	38.8 Å²	38.8	53%	0.527	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	147.9	-177.7	-60.2	-179.2	-71.7	0	0	112.5	K429 L430 C431	K429-M437 WeakPolarHBondContact CE-SD 3.36Å; K429-M437 PolarHBondContact NZ-SD 3.48Å; L430-M437 CarbonylContact O-C 3.46Å; L430-M437 WeakPolarHBondContact O-CA 3.45Å; L430-M437 WeakPolarHBondContact O-CB 3.46Å; C431-M437 HydrophobicContact CB-CG 4.35Å
438	A	94	Very high	89.4	Confident	24 Å²	24	38.1 Å²	38.1	20%	0.198	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	152.1	173.5	0	0	0	0	0	111.8	K429 L430 V440 L457 L461	K429-A438 CarbonylContact C-O 3.59Å; L430-A438 PolarHBondContact N-O 3.34Å; L430-A438 PolarHBondContact O-N 2.81Å; A438-V440 HydrophobicContact CB-CG1 4.22Å; A438-L457 HydrophobicContact CB-CD1 4.18Å; A438-L461 HydrophobicContact CB-CD1 4.28Å; A438-L461 HydrophobicContact CB-CD2 4.06Å
439	I	94.2	Very high	88.4	Confident	100 Å²	100	42.7 Å²	42.7	51%	0.513	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	125	166.5	-59.3	-54.1	0	0	0	107.8	I427 A428 K429 I495	I427-I439 HydrophobicContact CG2-CG2 3.43Å; I427-I439 VanDerWaalsContact CG2-CG2 3.43Å; A428-I439 CarbonylContact O-C 3.22Å; A428-I439 WeakPolarHBondContact O-CA 3.47Å; K429-I439 HydrophobicContact CB-CD1 4Å; K429-I439 HydrophobicContact CG-CD1 4.11Å; I439-I495 HydrophobicContact CD1-CG1 4.48Å; I439-I495 HydrophobicContact CG2-CD1 4.39Å
440	V	95.6	Very high	88.1	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144	-171.8	-62.6	0	0	0	0	111.1	I427 A428 L430 A438 L457 L492 D547 V548	I427-V440 WeakPolarHBondContact CA-O 3.34Å; A428-V440 HydrophobicContact CB-CG2 4.1Å; A428-V440 PolarHBondContact N-O 3.41Å; A428-V440 PolarHBondContact O-N 2.91Å; L430-V440 HydrophobicContact CB-CG1 3.81Å; L430-V440 HydrophobicContact CB-CG2 3.93Å; L430-V440 HydrophobicContact CD1-CG1 4.03Å; A438-V440 HydrophobicContact CB-CG1 4.22Å; V440-L457 HydrophobicContact CG1-CD2 3.62Å; V440-L492 HydrophobicContact CG2-CD2 3.81Å; V440-D547 WeakPolarHBondContact CA-OD2 3.44Å; V440-D547 HydrophobicContact CB-CB 3.8Å; V440-D547 HydrophobicContact CG1-CB 4.13Å; V440-V548 HydrophobicContact CB-CG2 4.47Å; V440-V548 HydrophobicContact CG2-CG2 4.35Å
441	T	94.3	Very high	87.9	Confident	14 Å²	14	44.9 Å²	44.9	9%	0.086	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.6	169.7	-51.7	0	0	0	0	109.4	L517 E545 D547 V548	T441-L517 HydrophobicContact CG2-CD1 3.82Å; T441-E545 WeakPolarHBondContact CB-O 3.45Å; T441-D547 PolarHBondContact N-OD2 3.42Å; T441-D547 PolarHBondContact O-N 3.16Å; T441-V548 PolarHBondContact O-N 3.42Å
442	C	95.3	Very high	87.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	144.1	-179.3	-58	0	0	0	0	111.6	T425 A426 F444 V548	T425-C442 WeakPolarHBondContact CA-O 3.5Å; A426-C442 PolarHBondContact N-O 3.11Å; A426-C442 PolarHBondContact O-N 3.29Å; C442-F444 HydrophobicContact CB-CE2 4.35Å; C442-V548 CarbonylContact C-O 3.58Å; C442-V548 VanDerWaalsContact CA-O 3.26Å; C442-V548 WeakPolarHBondContact CA-O 3.37Å
443	V	93	Very high	88.2	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.024	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.8	164.9	172.9	0	0	0	0	109.1	T425 L517 V546 V548 L549 V550	T425-V443 HydrophobicContact CG2-CG2 4.11Å; V443-L517 HydrophobicContact CG2-CD1 4.01Å; V443-L517 HydrophobicContact CG2-CD2 4Å; V443-V546 HydrophobicContact CB-CG1 4.08Å; V443-V546 HydrophobicContact CG2-CB 4.33Å; V443-V546 HydrophobicContact CG2-CG1 3.77Å; V443-V546 HydrophobicContact CG2-CG2 3.54Å; V443-V548 PolarHBondContact N-O 2.93Å; V443-L549 WeakPolarHBondContact O-CA 3.47Å; V443-V550 PolarHBondContact O-N 3.45Å
444	F	93.4	Very high	88.8	Confident	9 Å²	9	40.5 Å²	40.5	4%	0.039	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.5	172.8	-68.7	-92.2	0	0	0	109.5	Q424 A426 C442 V550 Y555 F558 M559 L578 I581	Q424-F444 HydrophobicContact CB-CB 3.85Å; Q424-F444 PolarHBondContact O-N 2.79Å; A426-F444 HydrophobicContact CB-CE2 3.91Å; C442-F444 HydrophobicContact CB-CE2 4.35Å; F444-V550 HydrophobicContact CD1-CB 3.65Å; F444-V550 HydrophobicContact CD1-CG1 3.83Å; F444-V550 HydrophobicContact CD1-CG2 4.11Å; F444-V550 HydrophobicContact CE1-CB 3.77Å; F444-V550 HydrophobicContact CE1-CG1 3.79Å; F444-V550 HydrophobicContact CE1-CG2 3.77Å; F444-V550 HydrophobicContact CG-CB 4.34Å; F444-V550 HydrophobicContact CZ-CG2 4.12Å; F444-Y555 HydrophobicContact CB-CD2 3.94Å; F444-Y555 HydrophobicContact CB-CE2 3.77Å; F444-Y555 HydrophobicContact CD1-CD2 4.34Å; F444-F558 HydrophobicContact CD1-CB 4.38Å; F444-F558 HydrophobicContact CE1-CB 3.45Å; F444-F558 VanDerWaalsContact CE1-CB 3.45Å; F444-F558 HydrophobicContact CE1-CD1 4.02Å; F444-F558 AromaticContact CE1-CD2 3.67Å; F444-F558 HydrophobicContact CE1-CD2 3.67Å; F444-F558 HydrophobicContact CE1-CE2 4.4Å; F444-F558 AromaticContact CE1-CG 3.45Å; F444-F558 HydrophobicContact CE1-CG 3.45Å; F444-F558 VanDerWaalsContact CE1-CG 3.45Å; F444-F558 HydrophobicContact CZ-CB 3.98Å; F444-F558 AromaticContact CZ-CD1 3.93Å; F444-F558 HydrophobicContact CZ-CD1 3.93Å; F444-F558 HydrophobicContact CZ-CD2 4.36Å; F444-F558 HydrophobicContact CZ-CE1 4.5Å; F444-F558 AromaticContact CZ-CG 3.85Å; F444-F558 HydrophobicContact CZ-CG 3.85Å; F444-M559 HydrophobicContact CB-CE 3.86Å; F444-M559 HydrophobicContact CD1-CE 3.38Å; F444-M559 HydrophobicContact CD2-CE 4.13Å; F444-M559 HydrophobicContact CE1-CE 3.93Å; F444-M559 HydrophobicContact CG-CE 3.5Å; F444-M559 VanDerWaalsContact CG-CE 3.5Å; F444-L578 HydrophobicContact CE2-CD1 4.15Å; F444-L578 HydrophobicContact CZ-CD1 3.81Å; F444-I581 HydrophobicContact CD2-CD1 3.83Å; F444-I581 HydrophobicContact CE2-CD1 3.83Å; F444-I581 HydrophobicContact CG-CD1 4.49Å; F444-I581 HydrophobicContact CZ-CD1 4.49Å
445	D	86.3	Confident	89.3	Confident	26 Å²	26	41.6 Å²	41.6	14%	0.139	23%	0.231	C	C	.	.			trans	-130.9	98.3	-175.2	-178.2	15.1	0	0	0	110.9	G447 S448 L549 V550 L598	D445-G447 PolarHBondContact O-N 3.07Å; D445-G447 VanDerWaalsContact O-N 3.15Å; D445-G447 WeakPolarHBondContact OD1-CA 3.27Å; D445-G447 PolarHBondContact OD1-N 2.71Å; D445-S448 PolarHBondContact O-N 2.97Å; D445-S448 VanDerWaalsContact O-N 3.15Å; D445-L549 HydrophobicContact CB-CD1 4.45Å; D445-L549 HydrophobicContact CB-CD2 4.07Å; D445-L549 HydrophobicContact CB-CG 4.23Å; D445-V550 PolarHBondContact N-O 3.2Å; D445-L598 WeakPolarHBondContact OD2-CB 3.35Å
446	A	81.6	Confident	89.8	Confident	48 Å²	48	44.9 Å²	44.9	40%	0.397	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-9.6	174.2	0	0	0	0	0	113.3	L552 Y555	A446-L552 HydrophobicContact CB-CD1 4.06Å; A446-Y555 HydrophobicContact CB-CD2 4.12Å; A446-Y555 HydrophobicContact CB-CE2 3.95Å; A446-Y555 HydrophobicContact CB-CG 4.47Å
447	G	73.3	Confident	90	Very high	40 Å²	40	42 Å²	42	41%	0.412	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-10	173.9	0	0	0	0	0	114.6	D445	D445-G447 PolarHBondContact O-N 3.07Å; D445-G447 VanDerWaalsContact O-N 3.15Å; D445-G447 WeakPolarHBondContact OD1-CA 3.27Å; D445-G447 PolarHBondContact OD1-N 2.71Å
448	S	81	Confident	90.2	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.007	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-95.1	129.4	175.4	-174	0	0	0	0	111	D445 R450 G551 L552	D445-S448 PolarHBondContact O-N 2.97Å; D445-S448 VanDerWaalsContact O-N 3.15Å; S448-R450 VanDerWaalsContact C-N 3.25Å; S448-R450 PolarHBondContact O-N 3.42Å; S448-R450 PolarHBondContact OG-O 3.18Å; S448-G551 CarbonylContact O-C 3.58Å; S448-G551 WeakPolarHBondContact O-CA 3.33Å; S448-L552 WeakPolarHBondContact O-CB 3.17Å; S448-L552 PolarHBondContact O-N 2.94Å
449	Q	74.7	Confident	90.2	Very high	97 Å²	97	37.9 Å²	37.9	45%	0.453	19%	0.194	S	C	.	.	S	Bend	trans	-74.1	-17.6	176.9	-68.2	-177.4	-38.5	0	0	113.8	V600	Q449-V600 PolarHBondContact N-O 2.92Å
450	R	86.4	Confident	90.2	Very high	117 Å²	117	38.3 Å²	38.3	44%	0.442	20%	0.197	S	C	.	.	S	Bend	trans	-134.4	155.4	-177.1	-75.2	-67	-171.3	-96	0.8	111.7	S448 F452 L508 D553 I602	S448-R450 VanDerWaalsContact C-N 3.25Å; S448-R450 PolarHBondContact O-N 3.42Å; S448-R450 PolarHBondContact OG-O 3.18Å; R450-F452 HydrophobicContact CB-CE2 4.06Å; R450-F452 HydrophobicContact CB-CZ 3.92Å; R450-F452 WeakPolarHBondContact O-CD2 3.28Å; R450-F452 VanDerWaalsContact O-CE2 3.25Å; R450-F452 WeakPolarHBondContact O-CE2 3.43Å; R450-L508 HydrophobicContact CB-CD1 4.28Å; R450-L508 HydrophobicContact CG-CD1 4.29Å; R450-D553 VanDerWaalsContact CA-OD2 3.28Å; R450-D553 WeakPolarHBondContact CA-OD2 3.48Å; R450-D553 WeakPolarHBondContact CD-OD2 3.47Å; R450-I602 HydrophobicContact CB-CD1 4.41Å; R450-I602 HydrophobicContact CG-CD1 3.65Å
451	S	93.1	Very high	90.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	20%	0.2	C	C	.	.			trans	-89.2	147.1	171.5	-66.1	0	0	0	0	112	M505 Q506 A507 L508 L549 G551 D553	S451-M505 WeakPolarHBondContact OG-CE 3.38Å; S451-Q506 WeakPolarHBondContact CB-O 3.41Å; S451-A507 WeakPolarHBondContact O-CA 3.44Å; S451-L508 PolarHBondContact O-N 2.96Å; S451-L549 CarbonylContact C-O 3.52Å; S451-L549 WeakPolarHBondContact CA-O 3.5Å; S451-L549 WeakPolarHBondContact CB-O 3.32Å; S451-G551 PolarHBondContact OG-N 2.98Å; S451-D553 PolarHBondContact N-OD1 3.47Å; S451-D553 PolarHBondContact N-OD2 3.32Å; S451-D553 PolarHBondContact OG-OD1 2.89Å
452	F	93.1	Very high	89.8	Confident	7 Å²	7	39.8 Å²	39.8	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147.3	-175.3	-63.4	-80.2	0	0	0	111.8	R450 I470 L508 V510 I513 V548 L549 V600	R450-F452 HydrophobicContact CB-CE2 4.06Å; R450-F452 HydrophobicContact CB-CZ 3.92Å; R450-F452 WeakPolarHBondContact O-CD2 3.28Å; R450-F452 VanDerWaalsContact O-CE2 3.25Å; R450-F452 WeakPolarHBondContact O-CE2 3.43Å; F452-I470 HydrophobicContact CE1-CD1 4.32Å; F452-L508 WeakPolarHBondContact CA-O 3.46Å; F452-L508 HydrophobicContact CD1-CB 3.74Å; F452-L508 HydrophobicContact CE1-CB 3.82Å; F452-L508 HydrophobicContact CE1-CD1 3.92Å; F452-L508 HydrophobicContact CZ-CD1 4.44Å; F452-V510 HydrophobicContact CB-CG2 3.94Å; F452-V510 HydrophobicContact CD1-CG1 3.59Å; F452-V510 HydrophobicContact CD1-CG2 4.23Å; F452-V510 HydrophobicContact CE1-CG1 4.1Å; F452-V510 HydrophobicContact CG-CG1 4.49Å; F452-V510 HydrophobicContact CG-CG2 4.39Å; F452-I513 HydrophobicContact CB-CD1 4.43Å; F452-I513 HydrophobicContact CB-CG1 4.37Å; F452-V548 CarbonylContact O-C 3.59Å; F452-V548 WeakPolarHBondContact O-CA 3.37Å; F452-L549 HydrophobicContact CB-CB 4.34Å; F452-L549 HydrophobicContact CD2-CD2 4.22Å; F452-L549 PolarHBondContact N-O 2.99Å; F452-L549 PolarHBondContact O-N 3.42Å; F452-V600 HydrophobicContact CE2-CB 3.91Å; F452-V600 HydrophobicContact CE2-CG1 3.92Å; F452-V600 HydrophobicContact CE2-CG2 3.84Å; F452-V600 HydrophobicContact CZ-CB 4.08Å; F452-V600 HydrophobicContact CZ-CG1 3.54Å; F452-V600 HydrophobicContact CZ-CG2 4.22Å
453	I	96.1	Very high	89.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.9	173.7	-176.5	166.8	0	0	0	109.6	L430 K455 L457 A458 L463 V488 F490 A507 L508 C509 V510 V548	L430-I453 HydrophobicContact CD1-CD1 3.86Å; I453-K455 PolarHBondContact O-N 3.42Å; I453-L457 HydrophobicContact CD1-CD2 4.3Å; I453-L457 HydrophobicContact CG1-CD2 4.32Å; I453-A458 HydrophobicContact CD1-CB 4.19Å; I453-A458 HydrophobicContact CG1-CB 4.4Å; I453-A458 HydrophobicContact CG2-CB 4.17Å; I453-L463 HydrophobicContact CD1-CD1 4.14Å; I453-V488 HydrophobicContact CG2-CG2 3.62Å; I453-F490 HydrophobicContact CB-CE1 4.13Å; I453-F490 HydrophobicContact CB-CZ 4.33Å; I453-F490 HydrophobicContact CD1-CD1 4.07Å; I453-F490 HydrophobicContact CD1-CE1 3.56Å; I453-F490 HydrophobicContact CD1-CZ 3.94Å; I453-F490 HydrophobicContact CG1-CE1 4.4Å; I453-F490 HydrophobicContact CG2-CE1 4.31Å; I453-A507 HydrophobicContact CB-CB 3.98Å; I453-A507 HydrophobicContact CG2-CB 3.88Å; I453-L508 PolarHBondContact N-O 2.95Å; I453-C509 WeakPolarHBondContact O-CA 3.31Å; I453-V510 PolarHBondContact O-N 3.1Å; I453-V548 HydrophobicContact CD1-CG2 4.43Å; I453-V548 HydrophobicContact CG1-CG2 4.25Å
454	R	94	Very high	89.4	Confident	43 Å²	43	47.5 Å²	47.5	16%	0.162	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	121.2	173.9	-170.9	170.9	66.5	-142.8	-16.8	109.4	Q456 L457 A458 V510 E545 D547	R454-Q456 VanDerWaalsContact C-N 3.28Å; R454-Q456 HydrophobicContact CG-CB 4.42Å; R454-Q456 PolarHBondContact O-N 2.7Å; R454-L457 HydrophobicContact CB-CB 4.18Å; R454-L457 WeakPolarHBondContact O-CA 3.3Å; R454-L457 WeakPolarHBondContact O-CB 3.47Å; R454-L457 PolarHBondContact O-N 3.41Å; R454-A458 PolarHBondContact O-N 3.2Å; R454-V510 CarbonylContact C-O 3.6Å; R454-V510 WeakPolarHBondContact CA-O 3.39Å; R454-E545 IonicContact CZ-OE2 3.56Å; R454-E545 IonicContact NH1-OE2 2.89Å; R454-E545 PolarHBondContact NH1-OE2 3.2Å; R454-D547 IonicContact CZ-OD1 2.67Å; R454-D547 PolarHBondContact N-O 2.89Å; R454-D547 IonicContact NH1-OD1 3.5Å; R454-D547 PolarHBondContact NH1-OD1 3.38Å; R454-D547 IonicContact NH2-OD1 3.78Å; R454-D547 PolarHBondContact NH2-OD1 3.19Å
455	K	92.8	Very high	89	Confident	106 Å²	106	49 Å²	49	46%	0.461	27%	0.265	S	S	.	.	H	α-helix	trans	-52.1	-47.4	-177.2	177.5	174.9	177.7	-177.8	0	111.6	I453 L457 A458 D459 C509 V510	I453-K455 PolarHBondContact O-N 3.42Å; K455-L457 VanDerWaalsContact C-N 3.31Å; K455-L457 PolarHBondContact O-N 2.93Å; K455-A458 PolarHBondContact O-N 3.11Å; K455-A458 VanDerWaalsContact O-N 3.11Å; K455-D459 WeakPolarHBondContact CG-OD2 3.31Å; K455-D459 VanDerWaalsContact O-CG 3.25Å; K455-D459 PolarHBondContact O-N 3.25Å; K455-C509 HydrophobicContact CB-CB 4.14Å; K455-C509 HydrophobicContact CG-CB 4.31Å; K455-V510 PolarHBondContact N-O 2.81Å
456	Q	92	Very high	88.8	Confident	121 Å²	121	54.6 Å²	54.6	57%	0.565	29%	0.291	S	S	*	.	H	α-helix	trans	-56.2	-44.4	176.9	-176	178.1	-0.7	0	0	112.1	R454 A458 D459 D460	R454-Q456 VanDerWaalsContact C-N 3.28Å; R454-Q456 HydrophobicContact CG-CB 4.42Å; R454-Q456 PolarHBondContact O-N 2.7Å; Q456-A458 PolarHBondContact O-N 3.49Å; Q456-D459 PolarHBondContact O-N 3.25Å; Q456-D460 WeakPolarHBondContact O-CB 3.4Å; Q456-D460 PolarHBondContact O-N 3.34Å
457	L	95.3	Very high	88.9	Confident	15 Å²	15	55.6 Å²	55.6	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-65.4	-40.6	177.7	175.4	66	0	0	0	111.8	A438 V440 I453 R454 K455 D459 D460 L461 D547	A438-L457 HydrophobicContact CB-CD1 4.18Å; V440-L457 HydrophobicContact CG1-CD2 3.62Å; I453-L457 HydrophobicContact CD1-CD2 4.3Å; I453-L457 HydrophobicContact CG1-CD2 4.32Å; R454-L457 HydrophobicContact CB-CB 4.18Å; R454-L457 WeakPolarHBondContact O-CA 3.3Å; R454-L457 WeakPolarHBondContact O-CB 3.47Å; R454-L457 PolarHBondContact O-N 3.41Å; K455-L457 VanDerWaalsContact C-N 3.31Å; K455-L457 PolarHBondContact O-N 2.93Å; L457-D459 VanDerWaalsContact C-N 3.32Å; L457-D460 PolarHBondContact O-N 3.25Å; L457-L461 HydrophobicContact CD1-CD1 3.78Å; L457-L461 HydrophobicContact CD1-CG 4.15Å; L457-L461 HydrophobicContact CG-CD1 3.91Å; L457-L461 WeakPolarHBondContact O-CB 3.14Å; L457-L461 WeakPolarHBondContact O-CD1 3.32Å; L457-L461 VanDerWaalsContact O-CG 3.26Å; L457-L461 WeakPolarHBondContact O-CG 3.26Å; L457-L461 PolarHBondContact O-N 3.04Å; L457-D547 HydrophobicContact CD2-CB 3.75Å
458	A	94.8	Very high	88.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-37.1	176.8	0	0	0	0	0	112.2	I453 R454 K455 Q456 G462 L463 V488 C509	I453-A458 HydrophobicContact CD1-CB 4.19Å; I453-A458 HydrophobicContact CG1-CB 4.4Å; I453-A458 HydrophobicContact CG2-CB 4.17Å; R454-A458 PolarHBondContact O-N 3.2Å; K455-A458 PolarHBondContact O-N 3.11Å; K455-A458 VanDerWaalsContact O-N 3.11Å; Q456-A458 PolarHBondContact O-N 3.49Å; A458-G462 PolarHBondContact O-N 3.27Å; A458-L463 HydrophobicContact CB-CB 4.33Å; A458-L463 HydrophobicContact CB-CD1 4.36Å; A458-L463 WeakPolarHBondContact O-CB 3.04Å; A458-L463 PolarHBondContact O-N 3.39Å; A458-V488 HydrophobicContact CB-CG2 4.43Å; A458-C509 VanDerWaalsContact CB-SG 3.51Å
459	D	94.3	Very high	88.5	Confident	46 Å²	46	58.8 Å²	58.8	25%	0.246	30%	0.304	C	S	.	.	H	α-helix	trans	-67.6	-48.9	174.5	-65.6	-29.7	0	0	0	110.9	K455 Q456 L457 L461 G462 R486	K455-D459 WeakPolarHBondContact CG-OD2 3.31Å; K455-D459 VanDerWaalsContact O-CG 3.25Å; K455-D459 PolarHBondContact O-N 3.25Å; Q456-D459 PolarHBondContact O-N 3.25Å; L457-D459 VanDerWaalsContact C-N 3.32Å; D459-L461 PolarHBondContact O-N 2.87Å; D459-G462 PolarHBondContact O-N 3.29Å; D459-R486 IonicContact OD1-CZ 2.73Å; D459-R486 VanDerWaalsContact OD1-CZ 3.22Å; D459-R486 IonicContact OD1-NH1 3.2Å; D459-R486 PolarHBondContact OD1-NH1 3Å; D459-R486 IonicContact OD1-NH2 3.28Å; D459-R486 PolarHBondContact OD1-NH2 3.13Å
460	D	93.9	Very high	88.2	Confident	109 Å²	109	54.3 Å²	54.3	58%	0.583	28%	0.283	S	S	*	.	H	α-helix	trans	-58.7	-30.5	178.1	-65	-20.4	0	0	0	112.3	Q456 L457	Q456-D460 WeakPolarHBondContact O-CB 3.4Å; Q456-D460 PolarHBondContact O-N 3.34Å; L457-D460 PolarHBondContact O-N 3.25Å
461	L	93.3	Very high	87.2	Confident	12 Å²	12	52.1 Å²	52.1	6%	0.063	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-6	177.7	-73	172.5	0	0	0	114.1	L430 N434 N436 A438 L457 D459 L463	L430-L461 HydrophobicContact CD1-CD1 4.19Å; L430-L461 HydrophobicContact CD2-CD1 3.57Å; L430-L461 HydrophobicContact CG-CD1 4.44Å; N434-L461 PolarHBondContact ND2-O 3.4Å; N436-L461 HydrophobicContact CB-CD2 4Å; N436-L461 PolarHBondContact ND2-O 2.9Å; N436-L461 VanDerWaalsContact ND2-O 3.09Å; A438-L461 HydrophobicContact CB-CD1 4.28Å; A438-L461 HydrophobicContact CB-CD2 4.06Å; L457-L461 HydrophobicContact CD1-CD1 3.78Å; L457-L461 HydrophobicContact CD1-CG 4.15Å; L457-L461 HydrophobicContact CG-CD1 3.91Å; L457-L461 WeakPolarHBondContact O-CB 3.14Å; L457-L461 WeakPolarHBondContact O-CD1 3.32Å; L457-L461 VanDerWaalsContact O-CG 3.26Å; L457-L461 WeakPolarHBondContact O-CG 3.26Å; L457-L461 PolarHBondContact O-N 3.04Å; D459-L461 PolarHBondContact O-N 2.87Å; L461-L463 HydrophobicContact CB-CD1 4.47Å; L461-L463 HydrophobicContact CB-CG 4.21Å
462	G	88.5	Confident	86	Confident	33 Å²	33	54.4 Å²	54.4	34%	0.34	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	29	-178	0	0	0	0	0	114	A458 D459 Q464	A458-G462 PolarHBondContact O-N 3.27Å; D459-G462 PolarHBondContact O-N 3.29Å; G462-Q464 PolarHBondContact O-N 2.71Å
463	L	91.8	Very high	84.4	Confident	7 Å²	7	55 Å²	55	4%	0.037	29%	0.292	C	S	.	.			trans	-76.6	114.5	-179.8	-72.9	175.1	0	0	0	111.5	C432 I453 A458 L461 R486 V488 S489 F490	C432-L463 HydrophobicContact CB-CD2 3.84Å; C432-L463 VanDerWaalsContact SG-CD2 3.57Å; I453-L463 HydrophobicContact CD1-CD1 4.14Å; A458-L463 HydrophobicContact CB-CB 4.33Å; A458-L463 HydrophobicContact CB-CD1 4.36Å; A458-L463 WeakPolarHBondContact O-CB 3.04Å; A458-L463 PolarHBondContact O-N 3.39Å; L461-L463 HydrophobicContact CB-CD1 4.47Å; L461-L463 HydrophobicContact CB-CG 4.21Å; L463-R486 PolarHBondContact O-NE 2.65Å; L463-R486 PolarHBondContact O-NH2 3.49Å; L463-V488 HydrophobicContact CB-CB 3.95Å; L463-V488 HydrophobicContact CB-CG1 3.89Å; L463-V488 HydrophobicContact CB-CG2 4.41Å; L463-V488 HydrophobicContact CD1-CB 4.44Å; L463-V488 HydrophobicContact CD1-CG2 4.18Å; L463-V488 WeakPolarHBondContact O-CG1 3.17Å; L463-S489 WeakPolarHBondContact CD2-O 3.41Å; L463-F490 HydrophobicContact CD1-CB 4.26Å; L463-F490 HydrophobicContact CD1-CD1 3.85Å; L463-F490 HydrophobicContact CD1-CG 4.38Å; L463-F490 HydrophobicContact CD2-CB 4.41Å
464	Q	88.3	Confident	83	Confident	160 Å²	160	58.1 Å²	58.1	75%	0.748	31%	0.312	S	S	*	.			trans	-95.5	159.5	178.5	-66.7	-90	-13.4	0	0	111.5	G462	G462-Q464 PolarHBondContact O-N 2.71Å
465	G	84.3	Confident	81.3	Confident	39 Å²	39	63.9 Å²	63.9	40%	0.402	34%	0.338	S	S	.	.			trans	165.3	177.9	171.8	0	0	0	0	0	114.5	R486 K487	G465-R486 WeakPolarHBondContact O-CG 3.49Å; G465-K487 CarbonylContact C-O 3.59Å; G465-K487 VanDerWaalsContact CA-O 3.26Å; G465-K487 WeakPolarHBondContact CA-O 3.26Å
466	Q	82.5	Confident	79.4	Confident	145 Å²	145	62.7 Å²	62.7	68%	0.678	36%	0.356	S	S	*	.			trans	-70.7	147.2	-174.4	-67.7	-174.1	-2.8	0	0	112	K487	Q466-K487 PolarHBondContact O-N 3.37Å
467	T	82.6	Confident	77.6	Confident	69 Å²	69	63.7 Å²	63.7	42%	0.423	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.3	177	-59.2	0	0	0	0	110.4	R484 A485	T467-R484 HydrophobicContact CG2-CB 3.66Å; T467-R484 HydrophobicContact CG2-CG 4.33Å; T467-A485 WeakPolarHBondContact CA-O 3.49Å
468	E	74.9	Confident	75.5	Confident	62 Å²	62	69.3 Å²	69.3	29%	0.29	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	148.3	178	-65.1	176.7	-172.1	0	0	110.2	I470 R484 A485 K487	E468-I470 HydrophobicContact CB-CG2 4.39Å; E468-R484 CarbonylContact O-C 3.59Å; E468-R484 WeakPolarHBondContact O-CA 3.47Å; E468-A485 PolarHBondContact N-O 3.35Å; E468-A485 PolarHBondContact O-N 3.25Å; E468-K487 WeakPolarHBondContact OE1-CE 3.45Å; E468-K487 IonicContact OE1-NZ 3.12Å; E468-K487 PolarHBondContact OE1-NZ 3.21Å
469	A	72	Confident	73.4	Confident	46 Å²	46	73.4 Å²	73.4	38%	0.38	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.8	171.8	0	0	0	0	0	108.8	L482	A469-L482 HydrophobicContact CB-CD1 4.08Å; A469-L482 HydrophobicContact CB-CD2 4.46Å; A469-L482 HydrophobicContact CB-CG 4.34Å
470	I	68.2	Low	71.6	Confident	2 Å²	2	72 Å²	72	1%	0.01	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	151.5	-177.3	68.2	165.5	0	0	0	110.5	F452 E468 I472 E483 A485 L508 I602	F452-I470 HydrophobicContact CE1-CD1 4.32Å; E468-I470 HydrophobicContact CB-CG2 4.39Å; I470-I472 HydrophobicContact CD1-CD1 4.02Å; I470-I472 HydrophobicContact CD1-CG1 4.02Å; I470-E483 PolarHBondContact N-O 2.82Å; I470-E483 PolarHBondContact O-N 3.06Å; I470-A485 HydrophobicContact CD1-CB 3.37Å; I470-A485 HydrophobicContact CG1-CB 3.71Å; I470-A485 HydrophobicContact CG2-CB 4.42Å; I470-L508 HydrophobicContact CD1-CD1 4.13Å; I470-L508 HydrophobicContact CG2-CD1 3.98Å; I470-L508 HydrophobicContact CG2-CD2 4.31Å; I470-I602 HydrophobicContact CB-CD1 4.19Å; I470-I602 HydrophobicContact CB-CG1 4.44Å; I470-I602 HydrophobicContact CB-CG2 4.41Å; I470-I602 HydrophobicContact CG2-CD1 3.99Å
471	R	65.7	Low	69.9	Low	71 Å²	71	70.1 Å²	70.1	27%	0.268	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.3	168.6	176.8	173.6	-95.2	169.1	-3.4	107.3	G480 T601 I602 E603	R471-G480 WeakPolarHBondContact CG-O 3.38Å; R471-G480 PolarHBondContact NE-O 3.25Å; R471-T601 CarbonylContact O-C 3.57Å; R471-I602 WeakPolarHBondContact O-CA 3.35Å; R471-E603 IonicContact CZ-OE2 2.72Å; R471-E603 IonicContact NH1-OE2 2.79Å; R471-E603 PolarHBondContact NH1-OE2 3.28Å
472	I	67.1	Low	68.3	Low	50 Å²	50	74.4 Å²	74.4	26%	0.256	44%	0.44	S	S	.	.			trans	-109.3	99.1	179.7	-59.4	177.6	0	0	0	108.5	I470 T474 G480 V510 V600	I470-I472 HydrophobicContact CD1-CD1 4.02Å; I470-I472 HydrophobicContact CD1-CG1 4.02Å; I472-T474 HydrophobicContact CG2-CG2 4.47Å; I472-G480 WeakPolarHBondContact O-CA 3.41Å; I472-V510 HydrophobicContact CD1-CG1 3.98Å; I472-V600 HydrophobicContact CB-CG1 4.23Å; I472-V600 HydrophobicContact CG1-CG1 4.18Å; I472-V600 HydrophobicContact CG2-CB 4.43Å; I472-V600 HydrophobicContact CG2-CG1 3.79Å; I472-V600 HydrophobicContact CG2-CG2 3.93Å
473	A	61	Low	67.4	Low	18 Å²	18	78.1 Å²	78.1	15%	0.149	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-90.2	130.4	172	0	0	0	0	0	110.8	Q599 V600 T601	A473-Q599 CarbonylContact O-C 3.57Å; A473-V600 WeakPolarHBondContact O-CA 3.42Å; A473-T601 PolarHBondContact N-O 3.26Å
474	T	65.4	Low	66.7	Low	66 Å²	66	87.6 Å²	87.6	41%	0.405	48%	0.484	S	S	.	.			trans	-113.3	169.9	179.1	50.4	0	0	0	0	110.8	I472 G476 K477 Q599	I472-T474 HydrophobicContact CG2-CG2 4.47Å; T474-G476 PolarHBondContact O-N 3.27Å; T474-G476 VanDerWaalsContact O-N 3.12Å; T474-K477 PolarHBondContact O-N 2.94Å; T474-Q599 WeakPolarHBondContact CA-O 3.49Å
475	F	59.6	Low	66.5	Low	165 Å²	165	80.2 Å²	80.2	72%	0.724	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	120.1	-177.9	-167.2	-92.8	0	0	0	112.2	K477	F475-K477 VanDerWaalsContact C-N 3.3Å; F475-K477 PolarHBondContact O-N 3.26Å
476	G	52.6	Low	66.9	Low	80 Å²	80	81.1 Å²	81.1	83%	0.825	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-2.4	-179.6	0	0	0	0	0	116.1	T474	T474-G476 PolarHBondContact O-N 3.27Å; T474-G476 VanDerWaalsContact O-N 3.12Å
477	K	53.8	Low	67.4	Low	142 Å²	142	76.8 Å²	76.8	62%	0.617	42%	0.421	S	S	*	.			trans	-108.7	111	175.1	-67.8	-170.3	179.2	-176.7	0	110.5	T474 F475 S479	T474-K477 PolarHBondContact O-N 2.94Å; F475-K477 VanDerWaalsContact C-N 3.3Å; F475-K477 PolarHBondContact O-N 3.26Å; K477-S479 VanDerWaalsContact C-N 3.28Å; K477-S479 PolarHBondContact O-N 3.44Å
478	T	52	Low	68	Low	134 Å²	134	73.5 Å²	73.5	82%	0.822	40%	0.401	S	S	*	.	S	Bend	trans	-77	-8.4	176	33.1	0	0	0	0	114
479	S	50.3	Low	68.9	Low	86 Å²	86	72.1 Å²	72.1	60%	0.601	40%	0.398	S	S	*	.			trans	-142.1	106.5	-175.2	52.6	0	0	0	0	112.1	K477	K477-S479 VanDerWaalsContact C-N 3.28Å; K477-S479 PolarHBondContact O-N 3.44Å
480	G	55.7	Low	70.1	Confident	16 Å²	16	70 Å²	70	17%	0.165	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-86.6	154.6	160.8	0	0	0	0	0	111.1	R471 I472	R471-G480 WeakPolarHBondContact CG-O 3.38Å; R471-G480 PolarHBondContact NE-O 3.25Å; I472-G480 WeakPolarHBondContact O-CA 3.41Å
481	A	59.2	Low	71.4	Confident	70 Å²	70	71.3 Å²	71.3	58%	0.579	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-61.2	145.7	166.9	0	0	0	0	0	109.6	E483	A481-E483 PolarHBondContact O-N 2.98Å
482	L	60.2	Low	72.8	Confident	101 Å²	101	68 Å²	68	53%	0.529	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	117.4	168.6	-172.4	75.5	0	0	0	107.2	A469	A469-L482 HydrophobicContact CB-CD1 4.08Å; A469-L482 HydrophobicContact CB-CD2 4.46Å; A469-L482 HydrophobicContact CB-CG 4.34Å
483	E	69.2	Low	74	Confident	111 Å²	111	68.6 Å²	68.6	52%	0.519	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	146.2	178.9	-67.4	-168.7	-173.7	0	0	110.2	I470 A481	I470-E483 PolarHBondContact N-O 2.82Å; I470-E483 PolarHBondContact O-N 3.06Å; A481-E483 PolarHBondContact O-N 2.98Å
484	R	76.2	Confident	75.4	Confident	206 Å²	206	68.3 Å²	68.3	78%	0.777	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	114.8	171.4	-71.8	-174.8	73.3	-176.7	2.1	108.5	T467 E468	T467-R484 HydrophobicContact CG2-CB 3.66Å; T467-R484 HydrophobicContact CG2-CG 4.33Å; E468-R484 CarbonylContact O-C 3.59Å; E468-R484 WeakPolarHBondContact O-CA 3.47Å
485	A	84.1	Confident	76.3	Confident	5 Å²	5	68.4 Å²	68.4	4%	0.041	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.5	178.8	0	0	0	0	0	110.8	T467 E468 I470 K487 L508	T467-A485 WeakPolarHBondContact CA-O 3.49Å; E468-A485 PolarHBondContact N-O 3.35Å; E468-A485 PolarHBondContact O-N 3.25Å; I470-A485 HydrophobicContact CD1-CB 3.37Å; I470-A485 HydrophobicContact CG1-CB 3.71Å; I470-A485 HydrophobicContact CG2-CB 4.42Å; A485-K487 PolarHBondContact O-N 2.87Å; A485-L508 HydrophobicContact CB-CB 4.23Å; A485-L508 HydrophobicContact CB-CD2 4.06Å
486	R	92.5	Very high	77	Confident	58 Å²	58	66.8 Å²	66.8	22%	0.219	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	123.3	172.8	-169.5	171.6	74.2	-140.4	-2.7	108.6	D459 L463 G465 V488 C509	D459-R486 IonicContact OD1-CZ 2.73Å; D459-R486 VanDerWaalsContact OD1-CZ 3.22Å; D459-R486 IonicContact OD1-NH1 3.2Å; D459-R486 PolarHBondContact OD1-NH1 3Å; D459-R486 IonicContact OD1-NH2 3.28Å; D459-R486 PolarHBondContact OD1-NH2 3.13Å; L463-R486 PolarHBondContact O-NE 2.65Å; L463-R486 PolarHBondContact O-NH2 3.49Å; G465-R486 WeakPolarHBondContact O-CG 3.49Å; R486-V488 HydrophobicContact CG-CG1 4.01Å; R486-C509 HydrophobicContact CB-CB 4.22Å; R486-C509 WeakPolarHBondContact O-CB 3.47Å; R486-C509 PolarHBondContact O-N 2.99Å; R486-C509 PolarHBondContact O-SG 3.26Å; R486-C509 VanDerWaalsContact O-SG 3.37Å
487	K	92.8	Very high	77.8	Confident	55 Å²	55	65.6 Å²	65.6	24%	0.239	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	121.6	171.6	-172.7	173.5	69.9	-172.4	0	108.4	G465 Q466 E468 A485 Q506 L508	G465-K487 CarbonylContact C-O 3.59Å; G465-K487 VanDerWaalsContact CA-O 3.26Å; G465-K487 WeakPolarHBondContact CA-O 3.26Å; Q466-K487 PolarHBondContact O-N 3.37Å; E468-K487 WeakPolarHBondContact OE1-CE 3.45Å; E468-K487 IonicContact OE1-NZ 3.12Å; E468-K487 PolarHBondContact OE1-NZ 3.21Å; A485-K487 PolarHBondContact O-N 2.87Å; K487-Q506 HydrophobicContact CG-CB 4.46Å; K487-Q506 HydrophobicContact CG-CG 4.38Å; K487-L508 HydrophobicContact CB-CD2 3.97Å; K487-L508 HydrophobicContact CG-CD2 4.38Å
488	V	95.1	Very high	78.2	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	156.9	-178.9	-62.8	0	0	0	0	111.1	I453 A458 L463 R486 F490 Q506 A507	I453-V488 HydrophobicContact CG2-CG2 3.62Å; A458-V488 HydrophobicContact CB-CG2 4.43Å; L463-V488 HydrophobicContact CB-CB 3.95Å; L463-V488 HydrophobicContact CB-CG1 3.89Å; L463-V488 HydrophobicContact CB-CG2 4.41Å; L463-V488 HydrophobicContact CD1-CB 4.44Å; L463-V488 HydrophobicContact CD1-CG2 4.18Å; L463-V488 WeakPolarHBondContact O-CG1 3.17Å; R486-V488 HydrophobicContact CG-CG1 4.01Å; V488-F490 HydrophobicContact CG2-CD1 4.23Å; V488-F490 HydrophobicContact CG2-CE1 4.18Å; V488-Q506 CarbonylContact O-C 3.38Å; V488-Q506 VanDerWaalsContact O-CA 3.28Å; V488-Q506 WeakPolarHBondContact O-CA 2.97Å; V488-A507 WeakPolarHBondContact CG2-O 3.42Å; V488-A507 PolarHBondContact N-O 2.98Å; V488-A507 PolarHBondContact O-N 2.89Å
489	S	95.2	Very high	78.8	Confident	32 Å²	32	71.8 Å²	71.8	22%	0.224	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.4	-178.1	-51.1	0	0	0	0	110.8	L463 M505 Q506	L463-S489 WeakPolarHBondContact CD2-O 3.41Å; S489-M505 WeakPolarHBondContact CA-O 3.32Å; S489-Q506 VanDerWaalsContact OG-CG 3.27Å; S489-Q506 WeakPolarHBondContact OG-CG 3.25Å; S489-Q506 PolarHBondContact OG-NE2 3.37Å
490	F	95.8	Very high	79.9	Confident	1 Å²	1	69.5 Å²	69.5	0%	0.004	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	173.1	178.4	54.3	-93.2	0	0	0	111.4	L430 I453 L463 V488 L492 W504 M505 A507 V548	L430-F490 HydrophobicContact CD1-CD1 4.47Å; L430-F490 HydrophobicContact CD1-CD2 3.64Å; L430-F490 HydrophobicContact CD1-CE2 3.82Å; L430-F490 HydrophobicContact CD1-CG 3.99Å; L430-F490 HydrophobicContact CD1-CZ 4.32Å; L430-F490 HydrophobicContact CD2-CB 3.92Å; L430-F490 HydrophobicContact CD2-CD2 4.31Å; L430-F490 HydrophobicContact CD2-CG 4.2Å; L430-F490 HydrophobicContact CG-CB 4.2Å; L430-F490 HydrophobicContact CG-CD2 3.64Å; L430-F490 HydrophobicContact CG-CE2 4.25Å; L430-F490 HydrophobicContact CG-CG 4.02Å; I453-F490 HydrophobicContact CB-CE1 4.13Å; I453-F490 HydrophobicContact CB-CZ 4.33Å; I453-F490 HydrophobicContact CD1-CD1 4.07Å; I453-F490 HydrophobicContact CD1-CE1 3.56Å; I453-F490 HydrophobicContact CD1-CZ 3.94Å; I453-F490 HydrophobicContact CG1-CE1 4.4Å; I453-F490 HydrophobicContact CG2-CE1 4.31Å; L463-F490 HydrophobicContact CD1-CB 4.26Å; L463-F490 HydrophobicContact CD1-CD1 3.85Å; L463-F490 HydrophobicContact CD1-CG 4.38Å; L463-F490 HydrophobicContact CD2-CB 4.41Å; V488-F490 HydrophobicContact CG2-CD1 4.23Å; V488-F490 HydrophobicContact CG2-CE1 4.18Å; F490-L492 HydrophobicContact CD2-CD2 4.07Å; F490-L492 HydrophobicContact CD2-CG 4.24Å; F490-L492 HydrophobicContact CE2-CD1 4.41Å; F490-L492 HydrophobicContact CE2-CD2 3.93Å; F490-L492 HydrophobicContact CE2-CG 3.99Å; F490-W504 CarbonylContact O-C 3.59Å; F490-W504 WeakPolarHBondContact O-CA 3.48Å; F490-M505 HydrophobicContact CD2-CG 4.06Å; F490-M505 HydrophobicContact CE2-CG 3.61Å; F490-M505 HydrophobicContact CE2-SD 3.7Å; F490-M505 HydrophobicContact CZ-CE 4.43Å; F490-M505 HydrophobicContact CZ-CG 4Å; F490-M505 HydrophobicContact CZ-SD 4.06Å; F490-M505 PolarHBondContact N-O 3.41Å; F490-M505 PolarHBondContact O-N 2.92Å; F490-M505 VanDerWaalsContact O-O 3.12Å; F490-A507 HydrophobicContact CE1-CB 3.76Å; F490-A507 HydrophobicContact CZ-CB 3.9Å; F490-V548 HydrophobicContact CE2-CG1 4.31Å; F490-V548 HydrophobicContact CE2-CG2 4.3Å; F490-V548 HydrophobicContact CZ-CG1 4.08Å; F490-V548 HydrophobicContact CZ-CG2 4.2Å
491	T	95.5	Very high	80.9	Confident	31 Å²	31	74.3 Å²	74.3	19%	0.19	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.1	178.3	-58.6	0	0	0	0	111.3	L430 C431 K493 Q503	L430-T491 CarbonylContact C-O 3.58Å; L430-T491 WeakPolarHBondContact CA-O 3.45Å; C431-T491 PolarHBondContact N-O 2.99Å; C431-T491 PolarHBondContact O-N 3.13Å; T491-K493 HydrophobicContact CG2-CG 4.4Å; T491-Q503 CarbonylContact C-O 3.48Å; T491-Q503 WeakPolarHBondContact CA-O 3.1Å
492	L	96.2	Very high	82.3	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.5	173.1	-65.4	-174.8	0	0	0	111.4	A428 K429 L430 V440 F490 G502 Q503 M505 V548 F558 L578	A428-L492 HydrophobicContact CB-CB 4.3Å; A428-L492 HydrophobicContact CB-CD2 4.25Å; K429-L492 CarbonylContact O-C 2.98Å; K429-L492 WeakPolarHBondContact O-CA 3.48Å; L430-L492 HydrophobicContact CB-CD2 3.73Å; L430-L492 HydrophobicContact CD1-CD2 4.23Å; L430-L492 HydrophobicContact CG-CD2 3.93Å; V440-L492 HydrophobicContact CG2-CD2 3.81Å; F490-L492 HydrophobicContact CD2-CD2 4.07Å; F490-L492 HydrophobicContact CD2-CG 4.24Å; F490-L492 HydrophobicContact CE2-CD1 4.41Å; F490-L492 HydrophobicContact CE2-CD2 3.93Å; F490-L492 HydrophobicContact CE2-CG 3.99Å; L492-G502 CarbonylContact O-C 3.51Å; L492-G502 VanDerWaalsContact O-CA 3.29Å; L492-G502 WeakPolarHBondContact O-CA 3.37Å; L492-Q503 PolarHBondContact N-O 3.23Å; L492-Q503 PolarHBondContact O-N 2.82Å; L492-M505 HydrophobicContact CD1-SD 3.68Å; L492-M505 HydrophobicContact CG-SD 4.14Å; L492-V548 HydrophobicContact CD1-CG1 4.37Å; L492-F558 HydrophobicContact CB-CE1 3.91Å; L492-F558 HydrophobicContact CB-CZ 4.07Å; L492-F558 HydrophobicContact CD1-CE1 4.12Å; L492-F558 HydrophobicContact CD1-CZ 3.84Å; L492-F558 HydrophobicContact CG-CZ 4.35Å; L492-L578 HydrophobicContact CB-CD2 4.47Å
493	K	92.5	Very high	83.7	Confident	62 Å²	62	67.5 Å²	67.5	27%	0.27	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	154.3	179.7	-64.9	-175.1	-179	-149.5	0	112	A428 K429 T491 D500 T501 L578	A428-K493 WeakPolarHBondContact CA-O 3.42Å; K429-K493 HydrophobicContact CB-CB 4.39Å; K429-K493 PolarHBondContact N-O 3.45Å; K429-K493 PolarHBondContact O-N 3.44Å; T491-K493 HydrophobicContact CG2-CG 4.4Å; K493-D500 WeakPolarHBondContact CD-O 3.21Å; K493-D500 WeakPolarHBondContact CE-O 3.42Å; K493-D500 PolarHBondContact NZ-O 3.19Å; K493-T501 WeakPolarHBondContact CE-O 3.48Å; K493-L578 VanDerWaalsContact C-CD2 3.43Å
494	A	90.6	Very high	84.9	Confident	13 Å²	13	64 Å²	64	11%	0.107	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	139.5	167.9	0	0	0	0	0	110.6	N496 S497 D500	A494-N496 VanDerWaalsContact C-N 3.33Å; A494-N496 PolarHBondContact O-N 3.06Å; A494-S497 PolarHBondContact O-N 2.99Å; A494-D500 PolarHBondContact N-OD2 2.97Å
495	I	83.6	Confident	85.7	Confident	67 Å²	67	54.2 Å²	54.2	34%	0.344	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-41.8	-174.2	-63.2	175.9	0	0	0	112.7	I427 I439	I427-I495 HydrophobicContact CB-CD1 3.73Å; I427-I495 HydrophobicContact CG2-CD1 3.52Å; I439-I495 HydrophobicContact CD1-CG1 4.48Å; I439-I495 HydrophobicContact CG2-CD1 4.39Å
496	N	74	Confident	86.1	Confident	132 Å²	132	55.5 Å²	55.5	71%	0.706	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	7	-172.3	-66.4	-20.5	0	0	0	113.6	A494	A494-N496 VanDerWaalsContact C-N 3.33Å; A494-N496 PolarHBondContact O-N 3.06Å
497	S	69.8	Low	86.2	Confident	55 Å²	55	52.9 Å²	52.9	39%	0.385	27%	0.271	S	S	.	.			trans	-91.3	125.4	-178.3	-174.7	0	0	0	0	112	A494 D500	A494-S497 PolarHBondContact O-N 2.99Å; S497-D500 VanDerWaalsContact CB-CB 3.44Å; S497-D500 WeakPolarHBondContact OG-CB 3.47Å; S497-D500 PolarHBondContact OG-N 3.36Å; S497-D500 VanDerWaalsContact OG-N 3.08Å
498	R	62	Low	86.3	Confident	247 Å²	247	50.4 Å²	50.4	93%	0.932	26%	0.261	S	S	*	.	S	Bend	trans	-84.2	-32.1	172.3	-71.9	-173	177.3	-171	-0.9	113
499	N	64.5	Low	86.2	Confident	159 Å²	159	50.9 Å²	50.9	85%	0.85	26%	0.264	S	S	*	.	S	Bend	trans	-115.8	19.8	-172.8	-70	2.8	0	0	0	113.8
500	D	73.4	Confident	85.9	Confident	37 Å²	37	50.1 Å²	50.1	20%	0.198	26%	0.258	C	S	.	.			trans	-86.4	124.5	177.3	178.7	20.3	0	0	0	111	K493 A494 S497 G502	K493-D500 WeakPolarHBondContact CD-O 3.21Å; K493-D500 WeakPolarHBondContact CE-O 3.42Å; K493-D500 PolarHBondContact NZ-O 3.19Å; A494-D500 PolarHBondContact N-OD2 2.97Å; S497-D500 VanDerWaalsContact CB-CB 3.44Å; S497-D500 WeakPolarHBondContact OG-CB 3.47Å; S497-D500 PolarHBondContact OG-N 3.36Å; S497-D500 VanDerWaalsContact OG-N 3.08Å; D500-G502 PolarHBondContact O-N 3.21Å; D500-G502 PolarHBondContact OD1-N 2.86Å
501	T	77.4	Confident	85.3	Confident	117 Å²	117	60.9 Å²	60.9	72%	0.718	30%	0.298	S	S	*	.			trans	-67.2	-23.4	174.3	50.8	0	0	0	0	111.6	K493	K493-T501 WeakPolarHBondContact CE-O 3.48Å
502	G	87	Confident	84.6	Confident	14 Å²	14	68 Å²	68	14%	0.144	32%	0.322	C	S	.	.			trans	80.2	178.9	-178.6	0	0	0	0	0	113.5	L492 D500	L492-G502 CarbonylContact O-C 3.51Å; L492-G502 VanDerWaalsContact O-CA 3.29Å; L492-G502 WeakPolarHBondContact O-CA 3.37Å; D500-G502 PolarHBondContact O-N 3.21Å; D500-G502 PolarHBondContact OD1-N 2.86Å
503	Q	91.3	Very high	84.1	Confident	14 Å²	14	69.2 Å²	69.2	7%	0.065	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112	176.4	-175.7	56	51.9	0	0	109.9	T491 L492 D557 F558 K577	T491-Q503 CarbonylContact C-O 3.48Å; T491-Q503 WeakPolarHBondContact CA-O 3.1Å; L492-Q503 PolarHBondContact N-O 3.23Å; L492-Q503 PolarHBondContact O-N 2.82Å; Q503-D557 HydrophobicContact CG-CB 3.97Å; Q503-D557 PolarHBondContact OE1-O 2.96Å; Q503-F558 HydrophobicContact CB-CD1 4.01Å; Q503-F558 HydrophobicContact CB-CE1 3.49Å; Q503-F558 VanDerWaalsContact CB-CE1 3.49Å; Q503-F558 HydrophobicContact CB-CE2 4.3Å; Q503-F558 HydrophobicContact CB-CZ 3.65Å; Q503-F558 HydrophobicContact CG-CD1 4.13Å; Q503-F558 HydrophobicContact CG-CD2 4.03Å; Q503-F558 HydrophobicContact CG-CE1 3.77Å; Q503-F558 HydrophobicContact CG-CE2 3.66Å; Q503-F558 HydrophobicContact CG-CG 4.25Å; Q503-F558 HydrophobicContact CG-CZ 3.5Å; Q503-K577 HydrophobicContact CB-CD 4.39Å
504	W	92.6	Very high	83.2	Confident	39 Å²	39	67.1 Å²	67.1	15%	0.148	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	142.5	170.6	177.9	100.5	0	0	0	110	F490 Q506 H554 R744 G745	F490-W504 CarbonylContact O-C 3.59Å; F490-W504 WeakPolarHBondContact O-CA 3.48Å; W504-Q506 HydrophobicContact CH2-CB 4.02Å; W504-Q506 HydrophobicContact CH2-CG 3.44Å; W504-Q506 VanDerWaalsContact CH2-CG 3.44Å; W504-Q506 HydrophobicContact CZ2-CG 3.64Å; W504-Q506 HydrophobicContact CZ3-CG 4.48Å; W504-H554 AromaticContact CZ3-CE1 3.88Å; W504-R744 HydrophobicContact CB-CG 4.15Å; W504-R744 HydrophobicContact CD2-CB 4.03Å; W504-R744 HydrophobicContact CD2-CG 3.83Å; W504-R744 HydrophobicContact CE3-CB 4.19Å; W504-R744 HydrophobicContact CE3-CG 3.94Å; W504-R744 HydrophobicContact CG-CB 4.43Å; W504-R744 HydrophobicContact CG-CG 3.91Å; W504-R744 VanDerWaalsContact CZ2-CA 3.49Å; W504-R744 WeakPolarHBondContact CZ2-O 3.24Å; W504-G745 VanDerWaalsContact CH2-CA 3.41Å
505	M	93.6	Very high	82.3	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	162.2	172.7	63.7	178	-61.9	0	0	112.5	S451 S489 F490 L492 V548 V550 H554 F558	S451-M505 WeakPolarHBondContact OG-CE 3.38Å; S489-M505 WeakPolarHBondContact CA-O 3.32Å; F490-M505 HydrophobicContact CD2-CG 4.06Å; F490-M505 HydrophobicContact CE2-CG 3.61Å; F490-M505 HydrophobicContact CE2-SD 3.7Å; F490-M505 HydrophobicContact CZ-CE 4.43Å; F490-M505 HydrophobicContact CZ-CG 4Å; F490-M505 HydrophobicContact CZ-SD 4.06Å; F490-M505 PolarHBondContact N-O 3.41Å; F490-M505 PolarHBondContact O-N 2.92Å; F490-M505 VanDerWaalsContact O-O 3.12Å; L492-M505 HydrophobicContact CD1-SD 3.68Å; L492-M505 HydrophobicContact CG-SD 4.14Å; M505-V548 HydrophobicContact CE-CG1 4.19Å; M505-V548 HydrophobicContact SD-CG1 4.21Å; M505-V550 HydrophobicContact CE-CG1 4.46Å; M505-V550 HydrophobicContact CE-CG2 4.14Å; M505-V550 HydrophobicContact SD-CG2 4.2Å; M505-H554 HydrophobicContact CB-CB 4.4Å; M505-H554 HydrophobicContact CE-CB 4.33Å; M505-F558 HydrophobicContact SD-CE2 4.11Å; M505-F558 HydrophobicContact SD-CZ 3.98Å
506	Q	93.9	Very high	81.9	Confident	32 Å²	32	69 Å²	69	15%	0.15	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	148.7	166.5	-92.6	171.5	-7.9	0	0	110.9	S451 K487 V488 S489 W504 H554 G745	S451-Q506 WeakPolarHBondContact CB-O 3.41Å; K487-Q506 HydrophobicContact CG-CB 4.46Å; K487-Q506 HydrophobicContact CG-CG 4.38Å; V488-Q506 CarbonylContact O-C 3.38Å; V488-Q506 VanDerWaalsContact O-CA 3.28Å; V488-Q506 WeakPolarHBondContact O-CA 2.97Å; S489-Q506 VanDerWaalsContact OG-CG 3.27Å; S489-Q506 WeakPolarHBondContact OG-CG 3.25Å; S489-Q506 PolarHBondContact OG-NE2 3.37Å; W504-Q506 HydrophobicContact CH2-CB 4.02Å; W504-Q506 HydrophobicContact CH2-CG 3.44Å; W504-Q506 VanDerWaalsContact CH2-CG 3.44Å; W504-Q506 HydrophobicContact CZ2-CG 3.64Å; W504-Q506 HydrophobicContact CZ3-CG 4.48Å; Q506-H554 PolarHBondContact N-NE2 2.86Å; Q506-H554 PolarHBondContact O-CD2 3Å; Q506-G745 VanDerWaalsContact NE2-CA 3.25Å
507	A	94.5	Very high	82	Confident	2 Å²	2	63.5 Å²	63.5	2%	0.017	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	150.4	174.2	0	0	0	0	0	111.8	S451 I453 V488 F490	S451-A507 WeakPolarHBondContact O-CA 3.44Å; I453-A507 HydrophobicContact CB-CB 3.98Å; I453-A507 HydrophobicContact CG2-CB 3.88Å; V488-A507 WeakPolarHBondContact CG2-O 3.42Å; V488-A507 PolarHBondContact N-O 2.98Å; V488-A507 PolarHBondContact O-N 2.89Å; F490-A507 HydrophobicContact CE1-CB 3.76Å; F490-A507 HydrophobicContact CZ-CB 3.9Å
508	L	93.4	Very high	82.1	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	130.7	174.3	-68	163.6	0	0	0	110.1	R450 S451 F452 I453 I470 A485 K487 V510 I602	R450-L508 HydrophobicContact CB-CD1 4.28Å; R450-L508 HydrophobicContact CG-CD1 4.29Å; S451-L508 PolarHBondContact O-N 2.96Å; F452-L508 WeakPolarHBondContact CA-O 3.46Å; F452-L508 HydrophobicContact CD1-CB 3.74Å; F452-L508 HydrophobicContact CE1-CB 3.82Å; F452-L508 HydrophobicContact CE1-CD1 3.92Å; F452-L508 HydrophobicContact CZ-CD1 4.44Å; I453-L508 PolarHBondContact N-O 2.95Å; I470-L508 HydrophobicContact CD1-CD1 4.13Å; I470-L508 HydrophobicContact CG2-CD1 3.98Å; I470-L508 HydrophobicContact CG2-CD2 4.31Å; A485-L508 HydrophobicContact CB-CB 4.23Å; A485-L508 HydrophobicContact CB-CD2 4.06Å; K487-L508 HydrophobicContact CB-CD2 3.97Å; K487-L508 HydrophobicContact CG-CD2 4.38Å; L508-V510 PolarHBondContact O-N 3.17Å; L508-I602 HydrophobicContact CD1-CD1 3.89Å
509	C	93.7	Very high	82.6	Confident	10 Å²	10	58.5 Å²	58.5	7%	0.068	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	119.8	178.2	-68.6	0	0	0	0	111.2	I453 K455 A458 R486	I453-C509 WeakPolarHBondContact O-CA 3.31Å; K455-C509 HydrophobicContact CB-CB 4.14Å; K455-C509 HydrophobicContact CG-CB 4.31Å; A458-C509 VanDerWaalsContact CB-SG 3.51Å; R486-C509 HydrophobicContact CB-CB 4.22Å; R486-C509 WeakPolarHBondContact O-CB 3.47Å; R486-C509 PolarHBondContact O-N 2.99Å; R486-C509 PolarHBondContact O-SG 3.26Å; R486-C509 VanDerWaalsContact O-SG 3.37Å
510	V	88.1	Confident	83.4	Confident	15 Å²	15	51.7 Å²	51.7	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.3	176.3	-66.9	0	0	0	0	111.2	F452 I453 R454 K455 I472 L508 R512 I513	F452-V510 HydrophobicContact CB-CG2 3.94Å; F452-V510 HydrophobicContact CD1-CG1 3.59Å; F452-V510 HydrophobicContact CD1-CG2 4.23Å; F452-V510 HydrophobicContact CE1-CG1 4.1Å; F452-V510 HydrophobicContact CG-CG1 4.49Å; F452-V510 HydrophobicContact CG-CG2 4.39Å; I453-V510 PolarHBondContact O-N 3.1Å; R454-V510 CarbonylContact C-O 3.6Å; R454-V510 WeakPolarHBondContact CA-O 3.39Å; K455-V510 PolarHBondContact N-O 2.81Å; I472-V510 HydrophobicContact CD1-CG1 3.98Å; L508-V510 PolarHBondContact O-N 3.17Å; V510-R512 VanDerWaalsContact C-N 3.3Å; V510-R512 PolarHBondContact O-N 2.84Å; V510-I513 HydrophobicContact CG2-CG1 3.82Å
511	R	84.1	Confident	83.8	Confident	228 Å²	228	52.7 Å²	52.7	86%	0.86	27%	0.272	S	S	*	.	S	Bend	trans	-57.6	-41.7	-176.3	-176.6	178.1	177.2	177	0.4	112.8
512	R	81.6	Confident	83.9	Confident	179 Å²	179	53.2 Å²	53.2	68%	0.675	27%	0.27	S	S	*	.			trans	-148	133.8	177.3	-173.2	177.4	72.2	-171.9	2.5	109	V510 C514	V510-R512 VanDerWaalsContact C-N 3.3Å; V510-R512 PolarHBondContact O-N 2.84Å; R512-C514 WeakPolarHBondContact CG-O 3.44Å
513	I	83.9	Confident	83.8	Confident	28 Å²	28	54.7 Å²	54.7	14%	0.144	28%	0.275	C	S	.	.	S	Bend	trans	-79.1	-59.4	178.1	-63.8	179.3	0	0	0	110.3	F452 V510 V546 D547 L549	F452-I513 HydrophobicContact CB-CD1 4.43Å; F452-I513 HydrophobicContact CB-CG1 4.37Å; V510-I513 HydrophobicContact CG2-CG1 3.82Å; I513-V546 HydrophobicContact CB-CG1 4.5Å; I513-V546 HydrophobicContact CD1-CG1 4.21Å; I513-V546 HydrophobicContact CG2-CB 4.42Å; I513-V546 HydrophobicContact CG2-CG1 4.08Å; I513-D547 VanDerWaalsContact CD1-O 3.28Å; I513-D547 WeakPolarHBondContact CD1-O 3.39Å; I513-L549 HydrophobicContact CD1-CB 4.21Å; I513-L549 HydrophobicContact CG2-CB 3.66Å; I513-L549 HydrophobicContact CG2-CD1 3.72Å; I513-L549 HydrophobicContact CG2-CG 4.33Å
514	C	74.8	Confident	83.4	Confident	17 Å²	17	59.5 Å²	59.5	12%	0.115	29%	0.292	C	S	.	.	S	Bend	trans	-151.8	-177.7	177.2	66.1	0	0	0	0	111.5	R512 V546 L598	R512-C514 WeakPolarHBondContact CG-O 3.44Å; C514-V546 WeakPolarHBondContact SG-CG2 3.31Å; C514-L598 HydrophobicContact CB-CD2 3.92Å
515	S	71.2	Confident	82.6	Confident	73 Å²	73	66.9 Å²	66.9	51%	0.51	33%	0.325	S	S	.	.	S	Bend	trans	-68.3	157.2	170	52.6	0	0	0	0	111.3	L517	S515-L517 PolarHBondContact O-N 3.06Å
516	A	76	Confident	82.1	Confident	47 Å²	47	69.8 Å²	69.8	39%	0.388	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-52.6	136.7	177.7	0	0	0	0	0	112.2	S544 E545	A516-S544 CarbonylContact C-O 3.37Å; A516-S544 WeakPolarHBondContact CA-O 3.19Å; A516-E545 HydrophobicContact CB-CG 4.47Å
517	L	76.5	Confident	81.7	Confident	17 Å²	17	68.8 Å²	68.8	9%	0.089	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-66.3	140.8	175.6	-64.3	173.9	0	0	0	110	L423 T425 T441 V443 S515 S543 S544 V546	L423-L517 HydrophobicContact CD1-CD2 4.38Å; T425-L517 HydrophobicContact CG2-CD1 3.63Å; T425-L517 HydrophobicContact CG2-CD2 4.37Å; T441-L517 HydrophobicContact CG2-CD1 3.82Å; V443-L517 HydrophobicContact CG2-CD1 4.01Å; V443-L517 HydrophobicContact CG2-CD2 4Å; S515-L517 PolarHBondContact O-N 3.06Å; L517-S543 VanDerWaalsContact O-CA 3.26Å; L517-S543 WeakPolarHBondContact O-CA 3.45Å; L517-S543 PolarHBondContact O-OG 2.7Å; L517-S543 VanDerWaalsContact O-OG 3.05Å; L517-S544 PolarHBondContact N-O 3.12Å; L517-S544 PolarHBondContact O-N 3.34Å; L517-V546 HydrophobicContact CD1-CG2 3.75Å; L517-V546 HydrophobicContact CD2-CG2 3.89Å; L517-V546 HydrophobicContact CG-CG2 3.58Å
518	E	71.4	Confident	81.3	Confident	114 Å²	114	73.1 Å²	73.1	53%	0.533	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-60.5	153.8	174	-65.4	-171.4	166.9	0	0	111.7	Q520 R541	E518-Q520 PolarHBondContact O-N 2.92Å; E518-R541 PolarHBondContact O-NH2 2.81Å
519	P	72.8	Confident	81.2	Confident	83 Å²	83	74.2 Å²	74.2	54%	0.539	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-60.9	134.9	176.5	-20.7	31.6	0	0	0	112.1	R541	P519-R541 CarbonylContact C-O 3.54Å; P519-R541 VanDerWaalsContact CA-O 3.23Å; P519-R541 WeakPolarHBondContact CA-O 3.38Å; P519-R541 WeakPolarHBondContact CB-O 3.38Å
520	Q	80.1	Confident	81.1	Confident	15 Å²	15	74.1 Å²	74.1	7%	0.07	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-79.6	130.9	172.1	-69.8	-70	15.6	0	0	110.3	T425 E518 F539 P540 R541	T425-Q520 PolarHBondContact OG1-NE2 2.74Å; E518-Q520 PolarHBondContact O-N 2.92Å; Q520-F539 HydrophobicContact CB-CD1 3.71Å; Q520-F539 HydrophobicContact CB-CE1 3.8Å; Q520-F539 HydrophobicContact CB-CG 4.42Å; Q520-F539 HydrophobicContact CG-CD1 4.22Å; Q520-F539 HydrophobicContact CG-CE1 3.8Å; Q520-F539 HydrophobicContact CG-CZ 4.18Å; Q520-F539 VanDerWaalsContact OE1-CE1 3.3Å; Q520-P540 VanDerWaalsContact O-CA 3.28Å; Q520-P540 WeakPolarHBondContact O-CA 3.49Å; Q520-P540 WeakPolarHBondContact O-CB 3.29Å; Q520-R541 HydrophobicContact CB-CB 4.06Å; Q520-R541 HydrophobicContact CG-CB 4.38Å; Q520-R541 PolarHBondContact N-O 3.24Å; Q520-R541 PolarHBondContact O-N 3.44Å; Q520-R541 VanDerWaalsContact O-N 3.17Å
521	P	81.3	Confident	81.1	Confident	58 Å²	58	78.3 Å²	78.3	38%	0.377	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-76.8	169.3	-178.1	32.6	-35.1	0	0	0	112	W422	W422-P521 HydrophobicContact CH2-CG 4.09Å; W422-P521 HydrophobicContact CZ2-CG 3.46Å; W422-P521 VanDerWaalsContact CZ2-CG 3.46Å
522	L	81	Confident	81.2	Confident	129 Å²	129	71.7 Å²	71.7	68%	0.675	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-63.7	134.1	166.9	-145.9	103.7	0	0	0	109.7	P540	L522-P540 HydrophobicContact CD1-CG 3.97Å
523	L	85.3	Confident	81.6	Confident	45 Å²	45	64.3 Å²	64.3	24%	0.236	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-64.5	142.3	178.5	-62.1	173.5	0	0	0	111.1	W422 W527 I530 L535 F539 L582	W422-L523 HydrophobicContact CH2-CD2 4.19Å; W422-L523 HydrophobicContact CZ3-CD2 4.28Å; L523-W527 HydrophobicContact CB-CE3 4.43Å; L523-W527 HydrophobicContact CB-CZ3 4.43Å; L523-W527 HydrophobicContact CD2-CE3 4.27Å; L523-W527 HydrophobicContact CD2-CZ3 3.86Å; L523-I530 HydrophobicContact CB-CD1 4.4Å; L523-I530 HydrophobicContact CD1-CD1 4Å; L523-I530 HydrophobicContact CD2-CD1 4Å; L523-I530 HydrophobicContact CG-CD1 4.34Å; L523-L535 HydrophobicContact CD1-CD1 3.45Å; L523-L535 VanDerWaalsContact CD1-CD1 3.45Å; L523-F539 HydrophobicContact CD1-CB 3.94Å; L523-F539 HydrophobicContact CD1-CG 4.27Å; L523-F539 HydrophobicContact CD2-CB 3.92Å; L523-F539 HydrophobicContact CD2-CD1 3.6Å; L523-F539 HydrophobicContact CD2-CD2 4.42Å; L523-F539 HydrophobicContact CD2-CE1 4.22Å; L523-F539 HydrophobicContact CD2-CG 3.73Å; L523-F539 HydrophobicContact CG-CB 3.59Å; L523-F539 HydrophobicContact CG-CD1 4.25Å; L523-F539 HydrophobicContact CG-CG 3.96Å; L523-L582 HydrophobicContact CD1-CD1 4.37Å; L523-L582 HydrophobicContact CD2-CD1 3.68Å
524	R	82	Confident	81.9	Confident	114 Å²	114	67.7 Å²	67.7	43%	0.43	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-80.1	129	177.6	-57.8	-174.5	-173.3	-174.7	2.6	109.3	G526 W527	R524-G526 PolarHBondContact O-N 2.79Å; R524-W527 HydrophobicContact CB-CD2 3.81Å; R524-W527 HydrophobicContact CB-CE3 4Å; R524-W527 HydrophobicContact CB-CG 4.37Å; R524-W527 HydrophobicContact CB-CH2 4.28Å; R524-W527 HydrophobicContact CB-CZ2 4.07Å; R524-W527 HydrophobicContact CB-CZ3 4.23Å; R524-W527 VanDerWaalsContact CD-CZ2 3.49Å; R524-W527 HydrophobicContact CG-CD2 4.38Å; R524-W527 HydrophobicContact CG-CE3 4.42Å; R524-W527 HydrophobicContact CG-CH2 3.81Å; R524-W527 HydrophobicContact CG-CZ2 3.71Å; R524-W527 HydrophobicContact CG-CZ3 4.17Å; R524-W527 PolarHBondContact O-N 2.69Å; R524-W527 VanDerWaalsContact O-N 3.16Å
525	K	76.6	Confident	82.8	Confident	195 Å²	195	68.8 Å²	68.8	85%	0.848	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-15.6	175.5	-65.8	-173	177.1	-175.1	0	114.7	W527 H531	K525-W527 VanDerWaalsContact C-N 3.34Å; K525-H531 PolarHBondContact O-CE1 2.79Å; K525-H531 PolarHBondContact O-NE2 2.71Å
526	G	81.2	Confident	83.8	Confident	60 Å²	60	65.5 Å²	65.5	62%	0.619	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-9.9	179.4	0	0	0	0	0	114.8	R524 S528	R524-G526 PolarHBondContact O-N 2.79Å; G526-S528 PolarHBondContact O-N 2.79Å; G526-S528 VanDerWaalsContact O-N 3.15Å
527	W	87.2	Confident	84.6	Confident	12 Å²	12	63.7 Å²	63.7	5%	0.045	36%	0.363	C	S	.	.			trans	-87.3	78.6	-178.4	-60.6	-29.7	0	0	0	110.6	W422 L523 R524 K525 H529 I530 H531 P571 V586	W422-W527 AromaticContact CH2-CH2 3.84Å; W422-W527 HydrophobicContact CH2-CH2 3.84Å; W422-W527 AromaticContact CH2-CZ3 3.83Å; W422-W527 HydrophobicContact CH2-CZ3 3.83Å; W422-W527 HydrophobicContact CZ2-CH2 4.33Å; W422-W527 HydrophobicContact CZ3-CZ3 4.44Å; L523-W527 HydrophobicContact CB-CE3 4.43Å; L523-W527 HydrophobicContact CB-CZ3 4.43Å; L523-W527 HydrophobicContact CD2-CE3 4.27Å; L523-W527 HydrophobicContact CD2-CZ3 3.86Å; R524-W527 HydrophobicContact CB-CD2 3.81Å; R524-W527 HydrophobicContact CB-CE3 4Å; R524-W527 HydrophobicContact CB-CG 4.37Å; R524-W527 HydrophobicContact CB-CH2 4.28Å; R524-W527 HydrophobicContact CB-CZ2 4.07Å; R524-W527 HydrophobicContact CB-CZ3 4.23Å; R524-W527 VanDerWaalsContact CD-CZ2 3.49Å; R524-W527 HydrophobicContact CG-CD2 4.38Å; R524-W527 HydrophobicContact CG-CE3 4.42Å; R524-W527 HydrophobicContact CG-CH2 3.81Å; R524-W527 HydrophobicContact CG-CZ2 3.71Å; R524-W527 HydrophobicContact CG-CZ3 4.17Å; R524-W527 PolarHBondContact O-N 2.69Å; R524-W527 VanDerWaalsContact O-N 3.16Å; K525-W527 VanDerWaalsContact C-N 3.34Å; W527-H529 PolarHBondContact O-N 3.2Å; W527-I530 HydrophobicContact CB-CD1 3.92Å; W527-I530 HydrophobicContact CB-CG1 3.76Å; W527-I530 HydrophobicContact CD2-CD1 4.41Å; W527-I530 HydrophobicContact CE3-CD1 3.66Å; W527-I530 VanDerWaalsContact O-CG1 3.25Å; W527-I530 WeakPolarHBondContact O-CG1 3.32Å; W527-I530 PolarHBondContact O-N 3.13Å; W527-H531 PolarHBondContact O-CD2 3.31Å; W527-P571 HydrophobicContact CD2-CG 4.1Å; W527-P571 HydrophobicContact CE3-CG 3.91Å; W527-P571 HydrophobicContact CH2-CG 4.27Å; W527-P571 HydrophobicContact CZ2-CG 4.46Å; W527-P571 HydrophobicContact CZ3-CG 4Å; W527-V586 HydrophobicContact CH2-CG1 3.69Å; W527-V586 HydrophobicContact CZ2-CG1 3.58Å
528	S	86.3	Confident	85.1	Confident	93 Å²	93	69.1 Å²	69.1	65%	0.65	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-60.7	-31.3	-175.1	54.6	0	0	0	0	113.6	G526 I530 H531	G526-S528 PolarHBondContact O-N 2.79Å; G526-S528 VanDerWaalsContact O-N 3.15Å; S528-I530 PolarHBondContact O-N 2.87Å; S528-H531 PolarHBondContact O-N 3.31Å
529	H	91.1	Very high	85.9	Confident	26 Å²	26	65.3 Å²	65.3	12%	0.12	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-68.8	-18.5	-177.3	64.8	-63.4	0	0	0	114.4	W527 R564 G566 E570 P571	W527-H529 PolarHBondContact O-N 3.2Å; H529-R564 WeakPolarHBondContact O-CD 3.32Å; H529-R564 PolarHBondContact O-NH1 2.99Å; H529-G566 PolarHBondContact CD2-N 3.42Å; H529-G566 VanDerWaalsContact CE1-CA 3.46Å; H529-G566 WeakPolarHBondContact CE1-CA 3.47Å; H529-G566 WeakPolarHBondContact NE2-CA 3.24Å; H529-G566 PolarHBondContact NE2-N 3.27Å; H529-E570 IonicContact CE1-OE2 3.18Å; H529-E570 IonicContact ND1-OE2 3.09Å; H529-P571 PolarHBondContact NE2-O 3.26Å
530	I	91.6	Very high	86.4	Confident	8 Å²	8	65.1 Å²	65.1	4%	0.041	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-102.7	-4.6	178	69.6	168.7	0	0	0	113.9	L523 W527 S528 L533 A573 L582	L523-I530 HydrophobicContact CB-CD1 4.4Å; L523-I530 HydrophobicContact CD1-CD1 4Å; L523-I530 HydrophobicContact CD2-CD1 4Å; L523-I530 HydrophobicContact CG-CD1 4.34Å; W527-I530 HydrophobicContact CB-CD1 3.92Å; W527-I530 HydrophobicContact CB-CG1 3.76Å; W527-I530 HydrophobicContact CD2-CD1 4.41Å; W527-I530 HydrophobicContact CE3-CD1 3.66Å; W527-I530 VanDerWaalsContact O-CG1 3.25Å; W527-I530 WeakPolarHBondContact O-CG1 3.32Å; W527-I530 PolarHBondContact O-N 3.13Å; S528-I530 PolarHBondContact O-N 2.87Å; I530-L533 HydrophobicContact CB-CD1 4.16Å; I530-L533 HydrophobicContact CG2-CD1 4.41Å; I530-L533 WeakPolarHBondContact O-CB 3.44Å; I530-L533 WeakPolarHBondContact O-CG 3.37Å; I530-L533 PolarHBondContact O-N 3.01Å; I530-A573 HydrophobicContact CG2-CB 4.21Å; I530-L582 HydrophobicContact CB-CD2 4.39Å; I530-L582 HydrophobicContact CD1-CD1 4.04Å; I530-L582 HydrophobicContact CG2-CD2 3.75Å
531	H	86.9	Confident	86.6	Confident	104 Å²	104	65.6 Å²	65.6	48%	0.481	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	138.7	178.1	-70.3	170.2	0	0	0	111.2	K525 W527 S528 L533	K525-H531 PolarHBondContact O-CE1 2.79Å; K525-H531 PolarHBondContact O-NE2 2.71Å; W527-H531 PolarHBondContact O-CD2 3.31Å; S528-H531 PolarHBondContact O-N 3.31Å; H531-L533 PolarHBondContact O-N 3.4Å
532	G	86.3	Confident	86.6	Confident	89 Å²	89	66.4 Å²	66.4	92%	0.918	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	3.5	-179.8	0	0	0	0	0	115.2
533	L	90.6	Very high	86.5	Confident	24 Å²	24	63.7 Å²	63.7	13%	0.126	37%	0.371	C	S	.	.			trans	-76.3	136.3	176.3	-63.2	-172.7	0	0	0	111.4	I530 H531 L535 A573 W580	I530-L533 HydrophobicContact CB-CD1 4.16Å; I530-L533 HydrophobicContact CG2-CD1 4.41Å; I530-L533 WeakPolarHBondContact O-CB 3.44Å; I530-L533 WeakPolarHBondContact O-CG 3.37Å; I530-L533 PolarHBondContact O-N 3.01Å; H531-L533 PolarHBondContact O-N 3.4Å; L533-L535 HydrophobicContact CB-CD2 3.84Å; L533-L535 PolarHBondContact O-N 2.91Å; L533-L535 VanDerWaalsContact O-N 3.12Å; L533-A573 HydrophobicContact CD1-CB 3.75Å; L533-W580 HydrophobicContact CB-CB 4.17Å; L533-W580 HydrophobicContact CB-CG 4.01Å; L533-W580 HydrophobicContact CD1-CB 4.11Å; L533-W580 HydrophobicContact CD1-CD2 3.82Å; L533-W580 HydrophobicContact CD1-CE3 3.98Å; L533-W580 HydrophobicContact CD1-CG 3.9Å; L533-W580 HydrophobicContact CD2-CD2 3.94Å; L533-W580 HydrophobicContact CD2-CG 4.11Å; L533-W580 HydrophobicContact CD2-CZ2 4.13Å; L533-W580 HydrophobicContact CG-CD2 4.36Å; L533-W580 HydrophobicContact CG-CG 4.24Å
534	N	90.5	Very high	86.3	Confident	99 Å²	99	62.9 Å²	62.9	53%	0.529	37%	0.369	S	S	.	.			trans	-75.7	95.6	166.6	-175.9	21.7	0	0	0	109.1	G579 W580	N534-G579 WeakPolarHBondContact O-CA 3.49Å; N534-W580 PolarHBondContact O-N 3.44Å
535	L	93.1	Very high	86.5	Confident	39 Å²	39	62.2 Å²	62.2	20%	0.204	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-75.5	139.8	-174.8	-58.1	-179	0	0	0	111.7	L523 L533 D537 F539 W580 L582	L523-L535 HydrophobicContact CD1-CD1 3.45Å; L523-L535 VanDerWaalsContact CD1-CD1 3.45Å; L533-L535 HydrophobicContact CB-CD2 3.84Å; L533-L535 PolarHBondContact O-N 2.91Å; L533-L535 VanDerWaalsContact O-N 3.12Å; L535-D537 VanDerWaalsContact C-N 3.32Å; L535-F539 HydrophobicContact CD1-CD2 3.88Å; L535-F539 HydrophobicContact CD1-CE2 4.37Å; L535-W580 CarbonylContact C-O 3.39Å; L535-W580 WeakPolarHBondContact CA-O 3.32Å; L535-W580 HydrophobicContact CD2-CB 4.03Å; L535-L582 HydrophobicContact CD1-CD1 3.95Å; L535-L582 HydrophobicContact CD2-CD1 4.07Å; L535-L582 HydrophobicContact CD2-CD2 4.02Å; L535-L582 HydrophobicContact CD2-CG 3.92Å
536	A	92.6	Very high	87.1	Confident	5 Å²	5	53.1 Å²	53.1	4%	0.041	33%	0.331	C	S	.	.	S	Bend	trans	-75.3	-20.6	179.8	0	0	0	0	0	113.2	A426 I427 L578 W580 I581	A426-A536 CarbonylContact C-O 3.57Å; A426-A536 WeakPolarHBondContact CA-O 3.43Å; A426-A536 HydrophobicContact CB-CB 3.82Å; I427-A536 PolarHBondContact N-O 3.43Å; A536-L578 HydrophobicContact CB-CB 4.35Å; A536-W580 PolarHBondContact N-O 3.06Å; A536-I581 HydrophobicContact CB-CG1 3.78Å
537	D	91.8	Very high	87.8	Confident	9 Å²	9	51 Å²	51	5%	0.048	31%	0.306	C	S	.	.	S	Bend	trans	-121	162.8	176.6	-162.8	-2.3	0	0	0	110.2	T425 I427 L535 F539 R541	T425-D537 WeakPolarHBondContact CB-OD2 3.35Å; T425-D537 PolarHBondContact OG1-OD2 3.18Å; I427-D537 WeakPolarHBondContact CG1-OD1 3.4Å; L535-D537 VanDerWaalsContact C-N 3.32Å; D537-F539 HydrophobicContact CB-CE2 3.93Å; D537-F539 WeakPolarHBondContact O-CD2 3.35Å; D537-R541 VanDerWaalsContact OD1-CD 3.27Å; D537-R541 WeakPolarHBondContact OD1-CD 3.31Å; D537-R541 IonicContact OD1-NE 3.7Å; D537-R541 PolarHBondContact OD1-NE 2.88Å; D537-R541 IonicContact OD2-CZ 2.69Å; D537-R541 IonicContact OD2-NE 3.23Å; D537-R541 PolarHBondContact OD2-NE 2.93Å; D537-R541 IonicContact OD2-NH2 2.66Å
538	K	87.3	Confident	88.3	Confident	131 Å²	131	50.5 Å²	50.5	57%	0.57	30%	0.304	S	S	*	.			trans	-86.4	135	178.4	-71.1	178.7	-178.6	-177.4	0	110.7	I427 P540 R541	I427-K538 HydrophobicContact CD1-CB 4.16Å; I427-K538 HydrophobicContact CD1-CD 3.82Å; I427-K538 HydrophobicContact CD1-CG 3.77Å; K538-P540 CarbonylContact O-C 3.58Å; K538-R541 HydrophobicContact CB-CB 4.15Å; K538-R541 VanDerWaalsContact O-CB 3.24Å; K538-R541 WeakPolarHBondContact O-CB 3.47Å; K538-R541 PolarHBondContact O-N 3.24Å
539	F	87.8	Confident	88.7	Confident	34 Å²	34	46.2 Å²	46.2	15%	0.149	27%	0.274	C	S	.	.	S	Bend	trans	-131.2	104.9	173.5	-66.4	-97.5	0	0	0	109.1	W422 Q520 L523 L535 D537 L582	W422-F539 AromaticContact CE3-CE1 3.99Å; W422-F539 HydrophobicContact CE3-CE1 3.99Å; W422-F539 HydrophobicContact CE3-CZ 4.42Å; W422-F539 HydrophobicContact CH2-CD1 4.35Å; W422-F539 AromaticContact CH2-CE1 3.97Å; W422-F539 HydrophobicContact CH2-CE1 3.97Å; W422-F539 HydrophobicContact CZ3-CD1 4.3Å; W422-F539 AromaticContact CZ3-CE1 3.57Å; W422-F539 HydrophobicContact CZ3-CE1 3.57Å; W422-F539 HydrophobicContact CZ3-CZ 4.23Å; Q520-F539 HydrophobicContact CB-CD1 3.71Å; Q520-F539 HydrophobicContact CB-CE1 3.8Å; Q520-F539 HydrophobicContact CB-CG 4.42Å; Q520-F539 HydrophobicContact CG-CD1 4.22Å; Q520-F539 HydrophobicContact CG-CE1 3.8Å; Q520-F539 HydrophobicContact CG-CZ 4.18Å; Q520-F539 VanDerWaalsContact OE1-CE1 3.3Å; L523-F539 HydrophobicContact CD1-CB 3.94Å; L523-F539 HydrophobicContact CD1-CG 4.27Å; L523-F539 HydrophobicContact CD2-CB 3.92Å; L523-F539 HydrophobicContact CD2-CD1 3.6Å; L523-F539 HydrophobicContact CD2-CD2 4.42Å; L523-F539 HydrophobicContact CD2-CE1 4.22Å; L523-F539 HydrophobicContact CD2-CG 3.73Å; L523-F539 HydrophobicContact CG-CB 3.59Å; L523-F539 HydrophobicContact CG-CD1 4.25Å; L523-F539 HydrophobicContact CG-CG 3.96Å; L535-F539 HydrophobicContact CD1-CD2 3.88Å; L535-F539 HydrophobicContact CD1-CE2 4.37Å; D537-F539 HydrophobicContact CB-CE2 3.93Å; D537-F539 WeakPolarHBondContact O-CD2 3.35Å; F539-L582 HydrophobicContact CD2-CD1 4.42Å; F539-L582 HydrophobicContact CE1-CD1 4.44Å; F539-L582 HydrophobicContact CE2-CB 4.43Å; F539-L582 HydrophobicContact CE2-CD1 4.02Å; F539-L582 HydrophobicContact CE2-CG 4.38Å; F539-L582 HydrophobicContact CZ-CB 4.01Å; F539-L582 HydrophobicContact CZ-CD1 4.04Å; F539-L582 HydrophobicContact CZ-CG 4.39Å
540	P	84.3	Confident	88.8	Confident	78 Å²	78	45 Å²	45	51%	0.506	27%	0.268	S	S	.	.	S	Bend	cis	-82.5	156.5	8.6	34.7	-34	0	0	0	113.3	Q520 L522 K538	Q520-P540 VanDerWaalsContact O-CA 3.28Å; Q520-P540 WeakPolarHBondContact O-CA 3.49Å; Q520-P540 WeakPolarHBondContact O-CB 3.29Å; L522-P540 HydrophobicContact CD1-CG 3.97Å; K538-P540 CarbonylContact O-C 3.58Å
541	R	84.2	Confident	88.7	Confident	25 Å²	25	44.6 Å²	44.6	9%	0.094	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-131.6	139.1	169.7	-176.9	-175.1	51.6	70.7	1.2	109.2	E518 P519 Q520 D537 K538 S544	E518-R541 PolarHBondContact O-NH2 2.81Å; P519-R541 CarbonylContact C-O 3.54Å; P519-R541 VanDerWaalsContact CA-O 3.23Å; P519-R541 WeakPolarHBondContact CA-O 3.38Å; P519-R541 WeakPolarHBondContact CB-O 3.38Å; Q520-R541 HydrophobicContact CB-CB 4.06Å; Q520-R541 HydrophobicContact CG-CB 4.38Å; Q520-R541 PolarHBondContact N-O 3.24Å; Q520-R541 PolarHBondContact O-N 3.44Å; Q520-R541 VanDerWaalsContact O-N 3.17Å; D537-R541 VanDerWaalsContact OD1-CD 3.27Å; D537-R541 WeakPolarHBondContact OD1-CD 3.31Å; D537-R541 IonicContact OD1-NE 3.7Å; D537-R541 PolarHBondContact OD1-NE 2.88Å; D537-R541 IonicContact OD2-CZ 2.69Å; D537-R541 IonicContact OD2-NE 3.23Å; D537-R541 PolarHBondContact OD2-NE 2.93Å; D537-R541 IonicContact OD2-NH2 2.66Å; K538-R541 HydrophobicContact CB-CB 4.15Å; K538-R541 VanDerWaalsContact O-CB 3.24Å; K538-R541 WeakPolarHBondContact O-CB 3.47Å; K538-R541 PolarHBondContact O-N 3.24Å; R541-S544 PolarHBondContact NH1-OG 2.75Å
542	A	80.4	Confident	88.6	Confident	76 Å²	76	43.4 Å²	43.4	63%	0.628	26%	0.263	S	S	*	.			trans	-69.3	166.4	172	0	0	0	0	0	111.8	S544	A542-S544 PolarHBondContact O-N 3.09Å
543	S	80.3	Confident	88.8	Confident	72 Å²	72	41.8 Å²	41.8	50%	0.503	23%	0.233	S	C	.	.			trans	-54.4	131.9	171.7	-174.9	0	0	0	0	110.2	L517	L517-S543 VanDerWaalsContact O-CA 3.26Å; L517-S543 WeakPolarHBondContact O-CA 3.45Å; L517-S543 PolarHBondContact O-OG 2.7Å; L517-S543 VanDerWaalsContact O-OG 3.05Å
544	S	80	Confident	88.8	Confident	27 Å²	27	41.6 Å²	41.6	19%	0.189	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-141.4	149.9	-178.9	68.8	0	0	0	0	111.8	A516 L517 R541 A542	A516-S544 CarbonylContact C-O 3.37Å; A516-S544 WeakPolarHBondContact CA-O 3.19Å; L517-S544 PolarHBondContact N-O 3.12Å; L517-S544 PolarHBondContact O-N 3.34Å; R541-S544 PolarHBondContact NH1-OG 2.75Å; A542-S544 PolarHBondContact O-N 3.09Å
545	E	86.6	Confident	88.9	Confident	100 Å²	100	38 Å²	38	47%	0.467	21%	0.211	S	C	.	.			trans	-72.8	156.5	171.6	-68.4	-165.2	161.6	0	0	111.4	T441 R454 A516	T441-E545 WeakPolarHBondContact CB-O 3.45Å; R454-E545 IonicContact CZ-OE2 3.56Å; R454-E545 IonicContact NH1-OE2 2.89Å; R454-E545 PolarHBondContact NH1-OE2 3.2Å; A516-E545 HydrophobicContact CB-CG 4.47Å
546	V	89.4	Confident	88.7	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.03	22%	0.219	C	C	.	.			trans	-91.3	123.1	173.8	-177.3	0	0	0	0	108.9	V443 I513 C514 L517 V548	V443-V546 HydrophobicContact CB-CG1 4.08Å; V443-V546 HydrophobicContact CG2-CB 4.33Å; V443-V546 HydrophobicContact CG2-CG1 3.77Å; V443-V546 HydrophobicContact CG2-CG2 3.54Å; I513-V546 HydrophobicContact CB-CG1 4.5Å; I513-V546 HydrophobicContact CD1-CG1 4.21Å; I513-V546 HydrophobicContact CG2-CB 4.42Å; I513-V546 HydrophobicContact CG2-CG1 4.08Å; C514-V546 WeakPolarHBondContact SG-CG2 3.31Å; L517-V546 HydrophobicContact CD1-CG2 3.75Å; L517-V546 HydrophobicContact CD2-CG2 3.89Å; L517-V546 HydrophobicContact CG-CG2 3.58Å; V546-V548 VanDerWaalsContact CG1-O 3.31Å; V546-V548 WeakPolarHBondContact CG1-O 3.47Å
547	D	95.7	Very high	88.5	Confident	16 Å²	16	41.1 Å²	41.1	9%	0.086	22%	0.22	C	C	.	.			trans	-91.5	-38.2	-178.6	-64	-56.5	0	0	0	111.5	V440 T441 R454 L457 I513	V440-D547 WeakPolarHBondContact CA-OD2 3.44Å; V440-D547 HydrophobicContact CB-CB 3.8Å; V440-D547 HydrophobicContact CG1-CB 4.13Å; T441-D547 PolarHBondContact N-OD2 3.42Å; T441-D547 PolarHBondContact O-N 3.16Å; R454-D547 IonicContact CZ-OD1 2.67Å; R454-D547 PolarHBondContact N-O 2.89Å; R454-D547 IonicContact NH1-OD1 3.5Å; R454-D547 PolarHBondContact NH1-OD1 3.38Å; R454-D547 IonicContact NH2-OD1 3.78Å; R454-D547 PolarHBondContact NH2-OD1 3.19Å; L457-D547 HydrophobicContact CD2-CB 3.75Å; I513-D547 VanDerWaalsContact CD1-O 3.28Å; I513-D547 WeakPolarHBondContact CD1-O 3.39Å
548	V	97	Very high	88.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.5	-179.7	-177.3	0	0	0	0	110.5	L430 V440 T441 C442 V443 F452 I453 F490 L492 M505 V546 V550	L430-V548 HydrophobicContact CD1-CG2 4.26Å; V440-V548 HydrophobicContact CB-CG2 4.47Å; V440-V548 HydrophobicContact CG2-CG2 4.35Å; T441-V548 PolarHBondContact O-N 3.42Å; C442-V548 CarbonylContact C-O 3.58Å; C442-V548 VanDerWaalsContact CA-O 3.26Å; C442-V548 WeakPolarHBondContact CA-O 3.37Å; V443-V548 PolarHBondContact N-O 2.93Å; F452-V548 CarbonylContact O-C 3.59Å; F452-V548 WeakPolarHBondContact O-CA 3.37Å; I453-V548 HydrophobicContact CD1-CG2 4.43Å; I453-V548 HydrophobicContact CG1-CG2 4.25Å; F490-V548 HydrophobicContact CE2-CG1 4.31Å; F490-V548 HydrophobicContact CE2-CG2 4.3Å; F490-V548 HydrophobicContact CZ-CG1 4.08Å; F490-V548 HydrophobicContact CZ-CG2 4.2Å; L492-V548 HydrophobicContact CD1-CG1 4.37Å; M505-V548 HydrophobicContact CE-CG1 4.19Å; M505-V548 HydrophobicContact SD-CG1 4.21Å; V546-V548 VanDerWaalsContact CG1-O 3.31Å; V546-V548 WeakPolarHBondContact CG1-O 3.47Å; V548-V550 HydrophobicContact CG1-CG2 4.28Å
549	L	94.4	Very high	88.8	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.8	168.3	-176	160.6	0	0	0	107.8	V443 D445 S451 F452 I513 L598	V443-L549 WeakPolarHBondContact O-CA 3.47Å; D445-L549 HydrophobicContact CB-CD1 4.45Å; D445-L549 HydrophobicContact CB-CD2 4.07Å; D445-L549 HydrophobicContact CB-CG 4.23Å; S451-L549 CarbonylContact C-O 3.52Å; S451-L549 WeakPolarHBondContact CA-O 3.5Å; S451-L549 WeakPolarHBondContact CB-O 3.32Å; F452-L549 HydrophobicContact CB-CB 4.34Å; F452-L549 HydrophobicContact CD2-CD2 4.22Å; F452-L549 PolarHBondContact N-O 2.99Å; F452-L549 PolarHBondContact O-N 3.42Å; I513-L549 HydrophobicContact CD1-CB 4.21Å; I513-L549 HydrophobicContact CG2-CB 3.66Å; I513-L549 HydrophobicContact CG2-CD1 3.72Å; I513-L549 HydrophobicContact CG2-CG 4.33Å; L549-L598 HydrophobicContact CD1-CD1 4.11Å
550	V	94.8	Very high	88.7	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	104.1	175.7	-174	0	0	0	0	107.8	V443 F444 D445 M505 V548 H554 F558	V443-V550 PolarHBondContact O-N 3.45Å; F444-V550 HydrophobicContact CD1-CB 3.65Å; F444-V550 HydrophobicContact CD1-CG1 3.83Å; F444-V550 HydrophobicContact CD1-CG2 4.11Å; F444-V550 HydrophobicContact CE1-CB 3.77Å; F444-V550 HydrophobicContact CE1-CG1 3.79Å; F444-V550 HydrophobicContact CE1-CG2 3.77Å; F444-V550 HydrophobicContact CG-CB 4.34Å; F444-V550 HydrophobicContact CZ-CG2 4.12Å; D445-V550 PolarHBondContact N-O 3.2Å; M505-V550 HydrophobicContact CE-CG1 4.46Å; M505-V550 HydrophobicContact CE-CG2 4.14Å; M505-V550 HydrophobicContact SD-CG2 4.2Å; V548-V550 HydrophobicContact CG1-CG2 4.28Å; V550-H554 HydrophobicContact CG1-CB 3.77Å; V550-F558 HydrophobicContact CG1-CD2 3.79Å; V550-F558 HydrophobicContact CG1-CE2 3.8Å; V550-F558 HydrophobicContact CG2-CE2 4.26Å
551	G	89.1	Confident	88.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.			trans	-79.2	176.3	177.3	0	0	0	0	0	111.9	S448 S451 D553 H554 Y555	S448-G551 CarbonylContact O-C 3.58Å; S448-G551 WeakPolarHBondContact O-CA 3.33Å; S451-G551 PolarHBondContact OG-N 2.98Å; G551-D553 WeakPolarHBondContact CA-OD1 3.45Å; G551-D553 PolarHBondContact O-N 3Å; G551-D553 VanDerWaalsContact O-N 3.1Å; G551-H554 CarbonylContact O-C 3.57Å; G551-H554 PolarHBondContact O-N 3.41Å; G551-Y555 WeakPolarHBondContact O-CA 2.98Å; G551-Y555 VanDerWaalsContact O-CB 3.28Å; G551-Y555 WeakPolarHBondContact O-CB 3.34Å; G551-Y555 PolarHBondContact O-N 3.18Å
552	L	85.3	Confident	88.8	Confident	79 Å²	79	44.6 Å²	44.6	41%	0.414	24%	0.24	S	C	.	.	H	α-helix	trans	-59	-21.9	-179.5	-163.8	66.5	0	0	0	113.6	A446 S448 H554 Y556	A446-L552 HydrophobicContact CB-CD1 4.06Å; S448-L552 WeakPolarHBondContact O-CB 3.17Å; S448-L552 PolarHBondContact O-N 2.94Å; L552-H554 VanDerWaalsContact C-N 3.26Å; L552-H554 PolarHBondContact O-N 3.22Å; L552-Y556 HydrophobicContact CD1-CD2 4.24Å; L552-Y556 HydrophobicContact CD1-CE2 3.69Å
553	D	89.2	Confident	89.3	Confident	54 Å²	54	44.6 Å²	44.6	29%	0.289	23%	0.232	S	C	.	.	H	α-helix	trans	-62	-31.2	172.2	58	-19.5	0	0	0	113.3	R450 S451 G551	R450-D553 VanDerWaalsContact CA-OD2 3.28Å; R450-D553 WeakPolarHBondContact CA-OD2 3.48Å; R450-D553 WeakPolarHBondContact CD-OD2 3.47Å; S451-D553 PolarHBondContact N-OD1 3.47Å; S451-D553 PolarHBondContact N-OD2 3.32Å; S451-D553 PolarHBondContact OG-OD1 2.89Å; G551-D553 WeakPolarHBondContact CA-OD1 3.45Å; G551-D553 PolarHBondContact O-N 3Å; G551-D553 VanDerWaalsContact O-N 3.1Å
554	H	91.7	Very high	89.8	Confident	20 Å²	20	46.5 Å²	46.5	9%	0.093	23%	0.228	C	C	.	.	H	α-helix	trans	-122.6	-6.7	177.6	-74.8	-59.9	0	0	0	113.8	W504 M505 Q506 V550 G551 L552 Y556 D557 F558	W504-H554 AromaticContact CZ3-CE1 3.88Å; M505-H554 HydrophobicContact CB-CB 4.4Å; M505-H554 HydrophobicContact CE-CB 4.33Å; Q506-H554 PolarHBondContact N-NE2 2.86Å; Q506-H554 PolarHBondContact O-CD2 3Å; V550-H554 HydrophobicContact CG1-CB 3.77Å; G551-H554 CarbonylContact O-C 3.57Å; G551-H554 PolarHBondContact O-N 3.41Å; L552-H554 VanDerWaalsContact C-N 3.26Å; L552-H554 PolarHBondContact O-N 3.22Å; H554-Y556 VanDerWaalsContact C-N 3.34Å; H554-Y556 PolarHBondContact O-N 3.36Å; H554-D557 WeakPolarHBondContact CA-OD2 3.09Å; H554-D557 IonicContact CE1-OD2 3.93Å; H554-D557 IonicContact CG-OD2 2.81Å; H554-D557 IonicContact ND1-OD2 3.92Å; H554-D557 PolarHBondContact ND1-OD2 2.68Å; H554-D557 VanDerWaalsContact O-CB 3.25Å; H554-D557 WeakPolarHBondContact O-CB 3.27Å; H554-D557 PolarHBondContact O-N 3.43Å; H554-F558 HydrophobicContact CB-CE2 4.37Å; H554-F558 WeakPolarHBondContact O-CD2 3.23Å
555	Y	91.7	Very high	90.2	Very high	25 Å²	25	52.3 Å²	52.3	10%	0.098	25%	0.252	C	S	.	.	H	α-helix	trans	-54.8	-47.7	-171.9	-179.5	-83.5	0	0	0	112.4	Q424 F444 A446 G551 D557 F558 M559	Q424-Y555 PolarHBondContact NE2-OH 3.27Å; Q424-Y555 PolarHBondContact OE1-OH 3.24Å; F444-Y555 HydrophobicContact CB-CD2 3.94Å; F444-Y555 HydrophobicContact CB-CE2 3.77Å; F444-Y555 HydrophobicContact CD1-CD2 4.34Å; A446-Y555 HydrophobicContact CB-CD2 4.12Å; A446-Y555 HydrophobicContact CB-CE2 3.95Å; A446-Y555 HydrophobicContact CB-CG 4.47Å; G551-Y555 WeakPolarHBondContact O-CA 2.98Å; G551-Y555 VanDerWaalsContact O-CB 3.28Å; G551-Y555 WeakPolarHBondContact O-CB 3.34Å; G551-Y555 PolarHBondContact O-N 3.18Å; Y555-D557 VanDerWaalsContact C-N 3.27Å; Y555-D557 PolarHBondContact O-N 3.19Å; Y555-F558 PolarHBondContact O-N 2.99Å; Y555-M559 HydrophobicContact CD1-CG 3.95Å; Y555-M559 HydrophobicContact CE1-CG 3.57Å; Y555-M559 HydrophobicContact CE2-CE 4.16Å; Y555-M559 WeakPolarHBondContact O-CG 3.2Å; Y555-M559 PolarHBondContact O-N 3.5Å
556	Y	89.1	Confident	90.1	Very high	95 Å²	95	48.9 Å²	48.9	37%	0.373	24%	0.243	S	C	.	.	H	α-helix	trans	-76.7	-10.7	-179.8	-69	-69.1	0	0	0	113.6	L552 H554 F558 Q670	L552-Y556 HydrophobicContact CD1-CD2 4.24Å; L552-Y556 HydrophobicContact CD1-CE2 3.69Å; H554-Y556 VanDerWaalsContact C-N 3.34Å; H554-Y556 PolarHBondContact O-N 3.36Å; Y556-F558 PolarHBondContact O-N 3.14Å; Y556-Q670 PolarHBondContact O-NE2 3.21Å
557	D	89.2	Confident	89.9	Confident	13 Å²	13	58.4 Å²	58.4	7%	0.07	28%	0.279	C	S	.	.	H	α-helix	trans	-69.5	-25	171.6	-60.8	-28	0	0	0	111.9	Q503 H554 Y555 K577	Q503-D557 HydrophobicContact CG-CB 3.97Å; Q503-D557 PolarHBondContact OE1-O 2.96Å; H554-D557 WeakPolarHBondContact CA-OD2 3.09Å; H554-D557 IonicContact CE1-OD2 3.93Å; H554-D557 IonicContact CG-OD2 2.81Å; H554-D557 IonicContact ND1-OD2 3.92Å; H554-D557 PolarHBondContact ND1-OD2 2.68Å; H554-D557 VanDerWaalsContact O-CB 3.25Å; H554-D557 WeakPolarHBondContact O-CB 3.27Å; H554-D557 PolarHBondContact O-N 3.43Å; Y555-D557 VanDerWaalsContact C-N 3.27Å; Y555-D557 PolarHBondContact O-N 3.19Å; D557-K577 WeakPolarHBondContact O-CD 3.27Å; D557-K577 WeakPolarHBondContact O-CE 3.45Å; D557-K577 PolarHBondContact O-NZ 3.02Å
558	F	92.2	Very high	89.1	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-97.5	-37	-178.8	-71.1	-92	0	0	0	113.6	F444 L492 Q503 M505 V550 H554 Y555 Y556 S576 K577 L578	F444-F558 HydrophobicContact CD1-CB 4.38Å; F444-F558 HydrophobicContact CE1-CB 3.45Å; F444-F558 VanDerWaalsContact CE1-CB 3.45Å; F444-F558 HydrophobicContact CE1-CD1 4.02Å; F444-F558 AromaticContact CE1-CD2 3.67Å; F444-F558 HydrophobicContact CE1-CD2 3.67Å; F444-F558 HydrophobicContact CE1-CE2 4.4Å; F444-F558 AromaticContact CE1-CG 3.45Å; F444-F558 HydrophobicContact CE1-CG 3.45Å; F444-F558 VanDerWaalsContact CE1-CG 3.45Å; F444-F558 HydrophobicContact CZ-CB 3.98Å; F444-F558 AromaticContact CZ-CD1 3.93Å; F444-F558 HydrophobicContact CZ-CD1 3.93Å; F444-F558 HydrophobicContact CZ-CD2 4.36Å; F444-F558 HydrophobicContact CZ-CE1 4.5Å; F444-F558 AromaticContact CZ-CG 3.85Å; F444-F558 HydrophobicContact CZ-CG 3.85Å; L492-F558 HydrophobicContact CB-CE1 3.91Å; L492-F558 HydrophobicContact CB-CZ 4.07Å; L492-F558 HydrophobicContact CD1-CE1 4.12Å; L492-F558 HydrophobicContact CD1-CZ 3.84Å; L492-F558 HydrophobicContact CG-CZ 4.35Å; Q503-F558 HydrophobicContact CB-CD1 4.01Å; Q503-F558 HydrophobicContact CB-CE1 3.49Å; Q503-F558 VanDerWaalsContact CB-CE1 3.49Å; Q503-F558 HydrophobicContact CB-CE2 4.3Å; Q503-F558 HydrophobicContact CB-CZ 3.65Å; Q503-F558 HydrophobicContact CG-CD1 4.13Å; Q503-F558 HydrophobicContact CG-CD2 4.03Å; Q503-F558 HydrophobicContact CG-CE1 3.77Å; Q503-F558 HydrophobicContact CG-CE2 3.66Å; Q503-F558 HydrophobicContact CG-CG 4.25Å; Q503-F558 HydrophobicContact CG-CZ 3.5Å; M505-F558 HydrophobicContact SD-CE2 4.11Å; M505-F558 HydrophobicContact SD-CZ 3.98Å; V550-F558 HydrophobicContact CG1-CD2 3.79Å; V550-F558 HydrophobicContact CG1-CE2 3.8Å; V550-F558 HydrophobicContact CG2-CE2 4.26Å; H554-F558 HydrophobicContact CB-CE2 4.37Å; H554-F558 WeakPolarHBondContact O-CD2 3.23Å; Y555-F558 PolarHBondContact O-N 2.99Å; Y556-F558 PolarHBondContact O-N 3.14Å; F558-S576 CarbonylContact O-C 3.46Å; F558-S576 WeakPolarHBondContact O-CA 3.22Å; F558-S576 WeakPolarHBondContact O-CB 3.45Å; F558-K577 PolarHBondContact O-N 2.97Å; F558-L578 HydrophobicContact CD1-CD1 4.04Å; F558-L578 HydrophobicContact CD1-CG 4.02Å; F558-L578 HydrophobicContact CE1-CD1 4.1Å; F558-L578 HydrophobicContact CE1-CD2 4.42Å; F558-L578 HydrophobicContact CE1-CG 4.24Å
559	M	91.3	Very high	88.3	Confident	25 Å²	25	67.2 Å²	67.2	12%	0.123	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	141.2	-175.1	-62.6	-60.6	148.6	0	0	111.7	F444 Y555 V574 I581	F444-M559 HydrophobicContact CB-CE 3.86Å; F444-M559 HydrophobicContact CD1-CE 3.38Å; F444-M559 HydrophobicContact CD2-CE 4.13Å; F444-M559 HydrophobicContact CE1-CE 3.93Å; F444-M559 HydrophobicContact CG-CE 3.5Å; F444-M559 VanDerWaalsContact CG-CE 3.5Å; Y555-M559 HydrophobicContact CD1-CG 3.95Å; Y555-M559 HydrophobicContact CE1-CG 3.57Å; Y555-M559 HydrophobicContact CE2-CE 4.16Å; Y555-M559 WeakPolarHBondContact O-CG 3.2Å; Y555-M559 PolarHBondContact O-N 3.5Å; M559-V574 HydrophobicContact SD-CG1 3.86Å; M559-I581 HydrophobicContact CE-CD1 3.7Å; M559-I581 HydrophobicContact SD-CD1 4.32Å
560	R	86	Confident	87.9	Confident	126 Å²	126	69 Å²	69	48%	0.475	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	174.4	173.4	-63.3	-170.3	178.6	-179.7	-0.1	110.6	A562 Q575	R560-A562 VanDerWaalsContact C-N 3.32Å; R560-A562 PolarHBondContact O-N 3.23Å; R560-Q575 HydrophobicContact CB-CB 4.12Å; R560-Q575 HydrophobicContact CB-CG 4.14Å; R560-Q575 WeakPolarHBondContact CB-O 3.4Å; R560-Q575 PolarHBondContact N-O 3.43Å
561	N	82.1	Confident	87.7	Confident	165 Å²	165	69 Å²	69	88%	0.882	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	-6.5	-171.2	-64.1	-16	0	0	0	114.8
562	A	88.3	Confident	87.9	Confident	35 Å²	35	71.7 Å²	71.7	29%	0.289	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.5	-177.4	0	0	0	0	0	112.4	R560 Q575 W580	R560-A562 VanDerWaalsContact C-N 3.32Å; R560-A562 PolarHBondContact O-N 3.23Å; A562-Q575 HydrophobicContact CB-CB 3.88Å; A562-Q575 VanDerWaalsContact CB-OE1 3.31Å; A562-Q575 WeakPolarHBondContact O-CB 3.33Å; A562-Q575 PolarHBondContact O-N 2.91Å; A562-W580 HydrophobicContact CB-CH2 3.75Å; A562-W580 HydrophobicContact CB-CZ2 4.45Å; A562-W580 HydrophobicContact CB-CZ3 4.4Å
563	V	91.9	Very high	88.3	Confident	76 Å²	76	68 Å²	68	46%	0.461	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.6	173.6	-178.5	0	0	0	0	108.5	Q565 I572 A573 V574	V563-Q565 HydrophobicContact CG1-CG 4.09Å; V563-I572 HydrophobicContact CG1-CG2 3.46Å; V563-I572 VanDerWaalsContact CG1-CG2 3.46Å; V563-A573 CarbonylContact C-O 3.56Å; V563-A573 WeakPolarHBondContact CA-O 3.36Å; V563-V574 HydrophobicContact CG1-CG2 4.47Å; V563-V574 HydrophobicContact CG2-CG1 4.49Å; V563-V574 HydrophobicContact CG2-CG2 4.45Å
564	R	90.8	Very high	88.6	Confident	112 Å²	112	66.2 Å²	66.2	42%	0.423	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.4	171.8	-64.6	-177.7	177.1	-165.9	0.1	109.3	H529 A573 W580	H529-R564 WeakPolarHBondContact O-CD 3.32Å; H529-R564 PolarHBondContact O-NH1 2.99Å; R564-A573 HydrophobicContact CB-CB 4.27Å; R564-A573 PolarHBondContact N-O 3.29Å; R564-A573 PolarHBondContact O-N 3.25Å; R564-W580 HydrophobicContact CB-CZ3 4.4Å; R564-W580 HydrophobicContact CG-CH2 3.94Å; R564-W580 HydrophobicContact CG-CZ3 3.85Å
565	Q	88.6	Confident	88.7	Confident	148 Å²	148	67.7 Å²	67.7	69%	0.692	33%	0.326	S	S	*	.			trans	-101.3	133	177.8	-60.6	-177.4	1.9	0	0	109.3	V563 I572	V563-Q565 HydrophobicContact CG1-CG 4.09Å; Q565-I572 HydrophobicContact CG-CG1 4.49Å; Q565-I572 HydrophobicContact CG-CG2 4.34Å
566	G	84.3	Confident	88.8	Confident	28 Å²	28	66.7 Å²	66.7	29%	0.289	32%	0.323	S	S	.	.			trans	-85.3	-165.2	170.2	0	0	0	0	0	111.7	H529 E570	H529-G566 PolarHBondContact CD2-N 3.42Å; H529-G566 VanDerWaalsContact CE1-CA 3.46Å; H529-G566 WeakPolarHBondContact CE1-CA 3.47Å; H529-G566 WeakPolarHBondContact NE2-CA 3.24Å; H529-G566 PolarHBondContact NE2-N 3.27Å; G566-E570 WeakPolarHBondContact CA-OE2 3.35Å
567	R	84.5	Confident	88.9	Confident	206 Å²	206	64.8 Å²	64.8	78%	0.777	32%	0.317	S	S	*	.	S	Bend	trans	-68.4	169.3	169.8	-59	177.8	178.6	-175.8	-0.5	110.8	N569 E570	R567-N569 PolarHBondContact O-N 3.46Å; R567-E570 HydrophobicContact CB-CG 4.19Å; R567-E570 PolarHBondContact N-OE2 2.94Å; R567-E570 VanDerWaalsContact O-CB 3.27Å; R567-E570 WeakPolarHBondContact O-CB 3.21Å; R567-E570 WeakPolarHBondContact O-CG 3.45Å; R567-E570 PolarHBondContact O-N 3Å
568	N	79.1	Confident	89	Confident	151 Å²	151	64.5 Å²	64.5	81%	0.807	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	126.3	175.3	-74.4	-14.3	0	0	0	112.1
569	N	80	Confident	89	Confident	50 Å²	50	65 Å²	65	27%	0.267	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	21.7	-176.2	-42.4	-75.8	0	0	0	115.8	R567 K585 V586 G587	R567-N569 PolarHBondContact O-N 3.46Å; N569-K585 CarbonylContact C-O 3.36Å; N569-K585 WeakPolarHBondContact CA-O 3.25Å; N569-V586 WeakPolarHBondContact O-CA 3.45Å; N569-G587 VanDerWaalsContact CB-O 3.27Å; N569-G587 WeakPolarHBondContact CB-O 3.34Å; N569-G587 PolarHBondContact O-N 3.28Å; N569-G587 PolarHBondContact OD1-O 3.14Å
570	E	87.8	Confident	89.2	Confident	41 Å²	41	65.3 Å²	65.3	19%	0.192	32%	0.32	C	S	.	.	S	Bend	trans	-101	153.7	164.7	-58.7	-174.8	167	0	0	109.8	H529 G566 R567	H529-E570 IonicContact CE1-OE2 3.18Å; H529-E570 IonicContact ND1-OE2 3.09Å; G566-E570 WeakPolarHBondContact CA-OE2 3.35Å; R567-E570 HydrophobicContact CB-CG 4.19Å; R567-E570 PolarHBondContact N-OE2 2.94Å; R567-E570 VanDerWaalsContact O-CB 3.27Å; R567-E570 WeakPolarHBondContact O-CB 3.21Å; R567-E570 WeakPolarHBondContact O-CG 3.45Å; R567-E570 PolarHBondContact O-N 3Å
571	P	90.3	Very high	89.6	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-64.6	149.1	-179.9	26.6	-34.4	0	0	0	111.4	W422 W527 H529 L582 V586	W422-P571 HydrophobicContact CE3-CB 4.1Å; W422-P571 HydrophobicContact CZ3-CB 4.02Å; W422-P571 HydrophobicContact CZ3-CG 4.24Å; W527-P571 HydrophobicContact CD2-CG 4.1Å; W527-P571 HydrophobicContact CE3-CG 3.91Å; W527-P571 HydrophobicContact CH2-CG 4.27Å; W527-P571 HydrophobicContact CZ2-CG 4.46Å; W527-P571 HydrophobicContact CZ3-CG 4Å; H529-P571 PolarHBondContact NE2-O 3.26Å; P571-L582 HydrophobicContact CB-CB 4.46Å; P571-V586 HydrophobicContact CB-CG2 3.83Å; P571-V586 HydrophobicContact CG-CG2 4.39Å
572	I	92.8	Very high	90.2	Very high	57 Å²	57	51.6 Å²	51.6	29%	0.292	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	134.6	168.3	-59.5	172.8	0	0	0	107.3	V563 Q565 V574 L582 C583	V563-I572 HydrophobicContact CG1-CG2 3.46Å; V563-I572 VanDerWaalsContact CG1-CG2 3.46Å; Q565-I572 HydrophobicContact CG-CG1 4.49Å; Q565-I572 HydrophobicContact CG-CG2 4.34Å; I572-V574 HydrophobicContact CG2-CG2 4.06Å; I572-L582 CarbonylContact O-C 3.58Å; I572-L582 WeakPolarHBondContact O-CA 3.24Å; I572-C583 PolarHBondContact N-O 3.42Å; I572-C583 PolarHBondContact O-N 3.46Å
573	A	93.9	Very high	90.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.9	170.4	0	0	0	0	0	109.5	I530 L533 V563 R564 W580 I581 L582	I530-A573 HydrophobicContact CG2-CB 4.21Å; L533-A573 HydrophobicContact CD1-CB 3.75Å; V563-A573 CarbonylContact C-O 3.56Å; V563-A573 WeakPolarHBondContact CA-O 3.36Å; R564-A573 HydrophobicContact CB-CB 4.27Å; R564-A573 PolarHBondContact N-O 3.29Å; R564-A573 PolarHBondContact O-N 3.25Å; A573-W580 HydrophobicContact CB-CE3 3.74Å; A573-W580 HydrophobicContact CB-CZ3 4.29Å; A573-I581 CarbonylContact C-O 3.52Å; A573-I581 WeakPolarHBondContact CA-O 3.47Å; A573-L582 HydrophobicContact CB-CD2 3.53Å
574	V	94.2	Very high	90	Very high	18 Å²	18	47.9 Å²	47.9	11%	0.109	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127	176.8	-177.8	0	0	0	0	108.3	M559 V563 I572 W580 I581	M559-V574 HydrophobicContact SD-CG1 3.86Å; V563-V574 HydrophobicContact CG1-CG2 4.47Å; V563-V574 HydrophobicContact CG2-CG1 4.49Å; V563-V574 HydrophobicContact CG2-CG2 4.45Å; I572-V574 HydrophobicContact CG2-CG2 4.06Å; V574-W580 WeakPolarHBondContact O-CA 3.42Å; V574-I581 PolarHBondContact N-O 3.1Å; V574-I581 PolarHBondContact O-N 2.97Å
575	Q	94.6	Very high	89.5	Confident	50 Å²	50	47.7 Å²	47.7	23%	0.234	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	133.3	178	-166.7	-173	31.6	0	0	110.2	R560 A562 W580	R560-Q575 HydrophobicContact CB-CB 4.12Å; R560-Q575 HydrophobicContact CB-CG 4.14Å; R560-Q575 WeakPolarHBondContact CB-O 3.4Å; R560-Q575 PolarHBondContact N-O 3.43Å; A562-Q575 HydrophobicContact CB-CB 3.88Å; A562-Q575 VanDerWaalsContact CB-OE1 3.31Å; A562-Q575 WeakPolarHBondContact O-CB 3.33Å; A562-Q575 PolarHBondContact O-N 2.91Å; Q575-W580 HydrophobicContact CB-CD2 4.11Å; Q575-W580 HydrophobicContact CB-CE3 3.99Å; Q575-W580 HydrophobicContact CB-CH2 3.94Å; Q575-W580 HydrophobicContact CB-CZ2 4.04Å; Q575-W580 HydrophobicContact CB-CZ3 3.9Å; Q575-W580 HydrophobicContact CG-CD2 4.31Å; Q575-W580 HydrophobicContact CG-CH2 4.45Å; Q575-W580 HydrophobicContact CG-CZ2 4.05Å
576	S	93.6	Very high	89.1	Confident	4 Å²	4	41 Å²	41	3%	0.028	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	170.6	172.6	79.9	0	0	0	0	111.1	F558 L578 G579	F558-S576 CarbonylContact O-C 3.46Å; F558-S576 WeakPolarHBondContact O-CA 3.22Å; F558-S576 WeakPolarHBondContact O-CB 3.45Å; S576-L578 PolarHBondContact O-N 3.19Å; S576-L578 PolarHBondContact OG-N 3.35Å; S576-L578 VanDerWaalsContact OG-N 3.12Å; S576-G579 WeakPolarHBondContact CA-O 3.41Å; S576-G579 WeakPolarHBondContact CB-O 3.32Å; S576-G579 PolarHBondContact N-O 3.27Å; S576-G579 PolarHBondContact O-N 3.06Å; S576-G579 PolarHBondContact OG-N 3.34Å; S576-G579 PolarHBondContact OG-O 3.2Å
577	K	90.6	Very high	88.7	Confident	55 Å²	55	39.9 Å²	39.9	24%	0.239	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.4	170.3	-68.2	-175.5	-177.8	171.4	0	113	Q503 D557 F558	Q503-K577 HydrophobicContact CB-CD 4.39Å; D557-K577 WeakPolarHBondContact O-CD 3.27Å; D557-K577 WeakPolarHBondContact O-CE 3.45Å; D557-K577 PolarHBondContact O-NZ 3.02Å; F558-K577 PolarHBondContact O-N 2.97Å
578	L	93.2	Very high	87.7	Confident	7 Å²	7	38 Å²	38	4%	0.037	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.6	179.7	-58.4	177	0	0	0	113.8	A426 A428 F444 L492 K493 A536 F558 S576	A426-L578 HydrophobicContact CB-CB 4.48Å; A426-L578 HydrophobicContact CB-CD1 3.97Å; A428-L578 HydrophobicContact CB-CD1 3.93Å; A428-L578 HydrophobicContact CB-CD2 4.01Å; F444-L578 HydrophobicContact CE2-CD1 4.15Å; F444-L578 HydrophobicContact CZ-CD1 3.81Å; L492-L578 HydrophobicContact CB-CD2 4.47Å; K493-L578 VanDerWaalsContact C-CD2 3.43Å; A536-L578 HydrophobicContact CB-CB 4.35Å; F558-L578 HydrophobicContact CD1-CD1 4.04Å; F558-L578 HydrophobicContact CD1-CG 4.02Å; F558-L578 HydrophobicContact CE1-CD1 4.1Å; F558-L578 HydrophobicContact CE1-CD2 4.42Å; F558-L578 HydrophobicContact CE1-CG 4.24Å; S576-L578 PolarHBondContact O-N 3.19Å; S576-L578 PolarHBondContact OG-N 3.35Å; S576-L578 VanDerWaalsContact OG-N 3.12Å
579	G	91.9	Very high	86.8	Confident	11 Å²	11	32 Å²	32	11%	0.113	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.3	-172.5	-171.6	0	0	0	0	0	112.3	N534 S576	N534-G579 WeakPolarHBondContact O-CA 3.49Å; S576-G579 WeakPolarHBondContact CA-O 3.41Å; S576-G579 WeakPolarHBondContact CB-O 3.32Å; S576-G579 PolarHBondContact N-O 3.27Å; S576-G579 PolarHBondContact O-N 3.06Å; S576-G579 PolarHBondContact OG-N 3.34Å; S576-G579 PolarHBondContact OG-O 3.2Å
580	W	94.9	Very high	85.5	Confident	32 Å²	32	33.7 Å²	33.7	12%	0.121	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	118.6	178.1	-71.4	85.2	0	0	0	110.8	L533 N534 L535 A536 A562 R564 A573 V574 Q575	L533-W580 HydrophobicContact CB-CB 4.17Å; L533-W580 HydrophobicContact CB-CG 4.01Å; L533-W580 HydrophobicContact CD1-CB 4.11Å; L533-W580 HydrophobicContact CD1-CD2 3.82Å; L533-W580 HydrophobicContact CD1-CE3 3.98Å; L533-W580 HydrophobicContact CD1-CG 3.9Å; L533-W580 HydrophobicContact CD2-CD2 3.94Å; L533-W580 HydrophobicContact CD2-CG 4.11Å; L533-W580 HydrophobicContact CD2-CZ2 4.13Å; L533-W580 HydrophobicContact CG-CD2 4.36Å; L533-W580 HydrophobicContact CG-CG 4.24Å; N534-W580 PolarHBondContact O-N 3.44Å; L535-W580 CarbonylContact C-O 3.39Å; L535-W580 WeakPolarHBondContact CA-O 3.32Å; L535-W580 HydrophobicContact CD2-CB 4.03Å; A536-W580 PolarHBondContact N-O 3.06Å; A562-W580 HydrophobicContact CB-CH2 3.75Å; A562-W580 HydrophobicContact CB-CZ2 4.45Å; A562-W580 HydrophobicContact CB-CZ3 4.4Å; R564-W580 HydrophobicContact CB-CZ3 4.4Å; R564-W580 HydrophobicContact CG-CH2 3.94Å; R564-W580 HydrophobicContact CG-CZ3 3.85Å; A573-W580 HydrophobicContact CB-CE3 3.74Å; A573-W580 HydrophobicContact CB-CZ3 4.29Å; V574-W580 WeakPolarHBondContact O-CA 3.42Å; Q575-W580 HydrophobicContact CB-CD2 4.11Å; Q575-W580 HydrophobicContact CB-CE3 3.99Å; Q575-W580 HydrophobicContact CB-CH2 3.94Å; Q575-W580 HydrophobicContact CB-CZ2 4.04Å; Q575-W580 HydrophobicContact CB-CZ3 3.9Å; Q575-W580 HydrophobicContact CG-CD2 4.31Å; Q575-W580 HydrophobicContact CG-CH2 4.45Å; Q575-W580 HydrophobicContact CG-CZ2 4.05Å
581	I	95.2	Very high	83.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.5	177.4	-62.9	170.9	0	0	0	108.3	Q424 F444 A536 M559 A573 V574	Q424-I581 HydrophobicContact CB-CG2 3.76Å; Q424-I581 HydrophobicContact CG-CG2 3.94Å; F444-I581 HydrophobicContact CD2-CD1 3.83Å; F444-I581 HydrophobicContact CE2-CD1 3.83Å; F444-I581 HydrophobicContact CG-CD1 4.49Å; F444-I581 HydrophobicContact CZ-CD1 4.49Å; A536-I581 HydrophobicContact CB-CG1 3.78Å; M559-I581 HydrophobicContact CE-CD1 3.7Å; M559-I581 HydrophobicContact SD-CD1 4.32Å; A573-I581 CarbonylContact C-O 3.52Å; A573-I581 WeakPolarHBondContact CA-O 3.47Å; V574-I581 PolarHBondContact N-O 3.1Å; V574-I581 PolarHBondContact O-N 2.97Å
582	L	93.1	Very high	81.8	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.5	173	-59.7	-175.8	0	0	0	110	W422 L523 I530 L535 F539 P571 I572 A573	W422-L582 HydrophobicContact CE3-CB 4.13Å; W422-L582 HydrophobicContact CZ3-CB 4.21Å; W422-L582 HydrophobicContact CZ3-CD1 4.27Å; L523-L582 HydrophobicContact CD1-CD1 4.37Å; L523-L582 HydrophobicContact CD2-CD1 3.68Å; I530-L582 HydrophobicContact CB-CD2 4.39Å; I530-L582 HydrophobicContact CD1-CD1 4.04Å; I530-L582 HydrophobicContact CG2-CD2 3.75Å; L535-L582 HydrophobicContact CD1-CD1 3.95Å; L535-L582 HydrophobicContact CD2-CD1 4.07Å; L535-L582 HydrophobicContact CD2-CD2 4.02Å; L535-L582 HydrophobicContact CD2-CG 3.92Å; F539-L582 HydrophobicContact CD2-CD1 4.42Å; F539-L582 HydrophobicContact CE1-CD1 4.44Å; F539-L582 HydrophobicContact CE2-CB 4.43Å; F539-L582 HydrophobicContact CE2-CD1 4.02Å; F539-L582 HydrophobicContact CE2-CG 4.38Å; F539-L582 HydrophobicContact CZ-CB 4.01Å; F539-L582 HydrophobicContact CZ-CD1 4.04Å; F539-L582 HydrophobicContact CZ-CG 4.39Å; P571-L582 HydrophobicContact CB-CB 4.46Å; I572-L582 CarbonylContact O-C 3.58Å; I572-L582 WeakPolarHBondContact O-CA 3.24Å; A573-L582 HydrophobicContact CB-CD2 3.53Å
583	C	90.6	Very high	79.8	Confident	13 Å²	13	44 Å²	44	9%	0.088	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	177.9	-179.8	66.1	0	0	0	0	112.6	W422 Q424 I572	W422-C583 WeakPolarHBondContact O-CA 3.26Å; Q424-C583 HydrophobicContact CG-CB 3.62Å; I572-C583 PolarHBondContact N-O 3.42Å; I572-C583 PolarHBondContact O-N 3.46Å
584	G	85.2	Confident	77.7	Confident	20 Å²	20	53 Å²	53	21%	0.206	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	94.6	-172.8	175.7	0	0	0	0	0	113.9	W422	W422-G584 PolarHBondContact N-O 3.31Å; W422-G584 PolarHBondContact O-N 3.39Å
585	K	81.3	Confident	75.4	Confident	109 Å²	109	58.7 Å²	58.7	47%	0.474	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.5	-173.8	-177	-178.7	176.2	-178.4	0	111.2	S419 N569	S419-K585 VanDerWaalsContact OG-CE 3.24Å; S419-K585 WeakPolarHBondContact OG-CE 3.43Å; N569-K585 CarbonylContact C-O 3.36Å; N569-K585 WeakPolarHBondContact CA-O 3.25Å
586	V	80	Confident	73.2	Confident	6 Å²	6	59.8 Å²	59.8	4%	0.036	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.5	-179.9	-175.1	0	0	0	0	110.6	S419 T420 W422 W527 N569 P571	S419-V586 CarbonylContact C-O 3.57Å; S419-V586 WeakPolarHBondContact CA-O 3.27Å; T420-V586 PolarHBondContact N-O 3.36Å; T420-V586 PolarHBondContact O-N 2.93Å; W422-V586 HydrophobicContact CD2-CG2 3.77Å; W422-V586 HydrophobicContact CE3-CG2 4.06Å; W422-V586 HydrophobicContact CG-CG2 4.17Å; W422-V586 HydrophobicContact CH2-CG2 4.47Å; W422-V586 HydrophobicContact CZ2-CB 4.37Å; W422-V586 HydrophobicContact CZ2-CG1 4.15Å; W422-V586 HydrophobicContact CZ2-CG2 4.18Å; W422-V586 HydrophobicContact CZ3-CG2 4.41Å; W527-V586 HydrophobicContact CH2-CG1 3.69Å; W527-V586 HydrophobicContact CZ2-CG1 3.58Å; N569-V586 WeakPolarHBondContact O-CA 3.45Å; P571-V586 HydrophobicContact CB-CG2 3.83Å; P571-V586 HydrophobicContact CG-CG2 4.39Å
587	G	75.5	Confident	71	Confident	5 Å²	5	62.9 Å²	62.9	5%	0.052	36%	0.355	C	S	.	.	S	Bend	trans	101	155.1	177.1	0	0	0	0	0	115.9	R418 N569	R418-G587 CarbonylContact O-C 3.59Å; R418-G587 WeakPolarHBondContact O-CA 3.2Å; N569-G587 VanDerWaalsContact CB-O 3.27Å; N569-G587 WeakPolarHBondContact CB-O 3.34Å; N569-G587 PolarHBondContact O-N 3.28Å; N569-G587 PolarHBondContact OD1-O 3.14Å
588	K	63.8	Low	69	Low	168 Å²	168	62.7 Å²	62.7	73%	0.73	36%	0.356	S	S	*	.	S	Bend	trans	-97.5	107	-179.2	-66.7	-173.9	178.8	-175.2	0	111.4	R418	R418-K588 VanDerWaalsContact CB-O 3.26Å; R418-K588 WeakPolarHBondContact CB-O 3.35Å; R418-K588 CarbonylContact O-C 3.6Å; R418-K588 VanDerWaalsContact O-C 3.22Å; R418-K588 PolarHBondContact O-N 3.23Å
589	G	61	Low	66.6	Low	25 Å²	25	66.6 Å²	66.6	26%	0.258	37%	0.374	S	S	.	.	S	Bend	trans	155.5	179.6	164.7	0	0	0	0	0	113.8	S419	S419-G589 WeakPolarHBondContact CB-O 3.45Å
590	P	53	Low	64.3	Low	84 Å²	84	66.9 Å²	66.9	55%	0.545	37%	0.374	S	S	.	.			trans	-61.2	136.6	172.2	24	-32.2	0	0	0	110.6	Y592	P590-Y592 HydrophobicContact CB-CD2 4.21Å; P590-Y592 HydrophobicContact CB-CE2 4Å; P590-Y592 HydrophobicContact CG-CD2 4Å; P590-Y592 HydrophobicContact CG-CE2 3.62Å; P590-Y592 PolarHBondContact O-N 3.3Å
591	A	53	Low	61.8	Low	75 Å²	75	67.4 Å²	67.4	62%	0.62	38%	0.381	S	S	*	.			trans	-73.4	94.7	176.5	0	0	0	0	0	109.3
592	Y	46.1	Very low	59.5	Low	192 Å²	192	69.8 Å²	69.8	75%	0.753	39%	0.393	S	S	*	.			trans	-90.1	92.8	166.8	-78	-85.6	0	0	0	108	Q417 P590	Q417-Y592 PolarHBondContact NE2-O 2.89Å; P590-Y592 HydrophobicContact CB-CD2 4.21Å; P590-Y592 HydrophobicContact CB-CE2 4Å; P590-Y592 HydrophobicContact CG-CD2 4Å; P590-Y592 HydrophobicContact CG-CE2 3.62Å; P590-Y592 PolarHBondContact O-N 3.3Å
593	G	50.7	Low	57.5	Low	47 Å²	47	73.3 Å²	73.3	49%	0.485	41%	0.409	S	S	.	.	S	Bend	trans	-174.2	162.9	179.9	0	0	0	0	0	113.2	T595	G593-T595 PolarHBondContact O-N 3.08Å
594	K	49.5	Very low	55.5	Low	191 Å²	191	79.3 Å²	79.3	83%	0.83	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-62	126.3	171.6	-92.7	178.4	172.2	176.9	0	109.3
595	T	47	Very low	54.1	Low	137 Å²	137	81 Å²	81	84%	0.84	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-91	124.8	168.6	-52.1	0	0	0	0	109	G593	G593-T595 PolarHBondContact O-N 3.08Å
596	T	48.2	Very low	53	Low	73 Å²	73	76.7 Å²	76.7	45%	0.448	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-97.2	121.1	171.9	-56.3	0	0	0	0	108.6	L598	T596-L598 HydrophobicContact CG2-CG 4.43Å
597	A	48.1	Very low	52.1	Low	69 Å²	69	82.9 Å²	82.9	57%	0.57	46%	0.455	S	S	*	.			trans	-114.2	134.4	171.3	0	0	0	0	0	109.3
598	L	48.1	Very low	51	Low	50 Å²	50	85.2 Å²	85.2	26%	0.262	47%	0.473	S	S	.	.			trans	-122.1	127.9	177.5	-66.4	167.1	0	0	0	107.8	D445 C514 L549 T596	D445-L598 WeakPolarHBondContact OD2-CB 3.35Å; C514-L598 HydrophobicContact CB-CD2 3.92Å; L549-L598 HydrophobicContact CD1-CD1 4.11Å; T596-L598 HydrophobicContact CG2-CG 4.43Å
599	Q	42.6	Very low	50.8	Low	90 Å²	90	81.1 Å²	81.1	42%	0.421	46%	0.458	S	S	.	.			trans	-148.8	136.9	169	-177.8	172.4	-14.6	0	0	106.9	A473 T474	A473-Q599 CarbonylContact O-C 3.57Å; T474-Q599 WeakPolarHBondContact CA-O 3.49Å
600	V	44.4	Very low	51	Low	17 Å²	17	80.7 Å²	80.7	10%	0.103	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-134.8	127	172.6	-177	0	0	0	0	109.3	Q449 F452 I472 A473	Q449-V600 PolarHBondContact N-O 2.92Å; F452-V600 HydrophobicContact CE2-CB 3.91Å; F452-V600 HydrophobicContact CE2-CG1 3.92Å; F452-V600 HydrophobicContact CE2-CG2 3.84Å; F452-V600 HydrophobicContact CZ-CB 4.08Å; F452-V600 HydrophobicContact CZ-CG1 3.54Å; F452-V600 HydrophobicContact CZ-CG2 4.22Å; I472-V600 HydrophobicContact CB-CG1 4.23Å; I472-V600 HydrophobicContact CG1-CG1 4.18Å; I472-V600 HydrophobicContact CG2-CB 4.43Å; I472-V600 HydrophobicContact CG2-CG1 3.79Å; I472-V600 HydrophobicContact CG2-CG2 3.93Å; A473-V600 WeakPolarHBondContact O-CA 3.42Å
601	T	41.5	Very low	51.6	Low	43 Å²	43	83.6 Å²	83.6	26%	0.264	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-126.6	132	174.4	-50.6	0	0	0	0	109.4	R471 A473	R471-T601 CarbonylContact O-C 3.57Å; A473-T601 PolarHBondContact N-O 3.26Å
602	I	47.1	Very low	51.9	Low	50 Å²	50	86.8 Å²	86.8	26%	0.256	45%	0.45	S	S	.	.			trans	-104.9	138.3	179	-59.2	178.3	0	0	0	109.7	R450 I470 R471 L508	R450-I602 HydrophobicContact CB-CD1 4.41Å; R450-I602 HydrophobicContact CG-CD1 3.65Å; I470-I602 HydrophobicContact CB-CD1 4.19Å; I470-I602 HydrophobicContact CB-CG1 4.44Å; I470-I602 HydrophobicContact CB-CG2 4.41Å; I470-I602 HydrophobicContact CG2-CD1 3.99Å; R471-I602 WeakPolarHBondContact O-CA 3.35Å; L508-I602 HydrophobicContact CD1-CD1 3.89Å
603	E	50	Low	52.9	Low	75 Å²	75	79.8 Å²	79.8	35%	0.35	42%	0.423	S	S	.	.			trans	-117.4	140.8	173.6	-67	-177.7	149.1	0	0	110.8	R471	R471-E603 IonicContact CZ-OE2 2.72Å; R471-E603 IonicContact NH1-OE2 2.79Å; R471-E603 PolarHBondContact NH1-OE2 3.28Å
604	E	50.3	Low	53.8	Low	140 Å²	140	81.5 Å²	81.5	65%	0.654	42%	0.415	S	S	*	.			trans	-67.8	146.8	167.9	-78.6	-174.4	178.8	0	0	111.5	T606	E604-T606 PolarHBondContact O-N 3.37Å
605	P	54.7	Low	54.7	Low	56 Å²	56	77.8 Å²	77.8	36%	0.364	40%	0.401	S	S	.	.			trans	-60.5	114.8	179.4	-18.6	29.7	0	0	0	111.3	E607 A608	P605-E607 PolarHBondContact O-N 2.89Å; P605-E607 VanDerWaalsContact O-N 3.07Å; P605-A608 PolarHBondContact O-N 2.94Å; P605-A608 VanDerWaalsContact O-N 3.1Å
606	T	58.5	Low	55	Low	17 Å²	17	77 Å²	77	10%	0.104	39%	0.391	C	S	.	.	H	α-helix	trans	-58.3	-25.5	178.7	-56	0	0	0	0	112.1	E604 M609 L610 R945 W982	E604-T606 PolarHBondContact O-N 3.37Å; T606-M609 HydrophobicContact CG2-CE 4.25Å; T606-M609 PolarHBondContact O-N 2.62Å; T606-L610 WeakPolarHBondContact O-CB 3.4Å; T606-L610 PolarHBondContact O-N 3.15Å; T606-R945 PolarHBondContact OG1-NH1 3.19Å; T606-W982 HydrophobicContact CG2-CD2 3.96Å; T606-W982 HydrophobicContact CG2-CE3 4.21Å; T606-W982 HydrophobicContact CG2-CH2 3.94Å; T606-W982 HydrophobicContact CG2-CZ2 3.67Å; T606-W982 HydrophobicContact CG2-CZ3 4.2Å
607	E	60.3	Low	56.1	Low	136 Å²	136	75.6 Å²	75.6	64%	0.636	38%	0.38	S	S	*	.	H	α-helix	trans	-64.8	-39.2	176.5	-67.8	176.8	-176.1	0	0	113.6	P605 L610 K611	P605-E607 PolarHBondContact O-N 2.89Å; P605-E607 VanDerWaalsContact O-N 3.07Å; E607-L610 PolarHBondContact O-N 2.98Å; E607-K611 PolarHBondContact O-N 3.01Å
608	A	53.8	Low	57.3	Low	54 Å²	54	72.8 Å²	72.8	45%	0.446	36%	0.357	S	S	.	.	H	α-helix	trans	-68.6	-37.1	178.9	0	0	0	0	0	111.5	P605 R612	P605-A608 PolarHBondContact O-N 2.94Å; P605-A608 VanDerWaalsContact O-N 3.1Å; A608-R612 PolarHBondContact O-N 3.24Å
609	M	59.1	Low	58.5	Low	82 Å²	82	72.5 Å²	72.5	40%	0.404	36%	0.356	S	S	.	.	H	α-helix	trans	-65.1	-42.7	171.4	-63.6	-166.7	-59.9	0	0	111.8	T606 K611 R612 F613	T606-M609 HydrophobicContact CG2-CE 4.25Å; T606-M609 PolarHBondContact O-N 2.62Å; M609-K611 VanDerWaalsContact C-N 3.34Å; M609-K611 PolarHBondContact O-N 3.49Å; M609-R612 PolarHBondContact O-N 3.18Å; M609-F613 PolarHBondContact O-N 2.9Å
610	L	65.2	Low	60	Low	16 Å²	16	68.7 Å²	68.7	8%	0.084	34%	0.341	C	S	.	.	H	α-helix	trans	-62.1	-41	178.3	-174.7	67.6	0	0	0	111.7	T606 E607 R612 F613 W614 L948 W976 W982	T606-L610 WeakPolarHBondContact O-CB 3.4Å; T606-L610 PolarHBondContact O-N 3.15Å; E607-L610 PolarHBondContact O-N 2.98Å; L610-R612 PolarHBondContact O-N 3.32Å; L610-F613 WeakPolarHBondContact O-CB 3.49Å; L610-F613 PolarHBondContact O-N 3.13Å; L610-W614 HydrophobicContact CD1-CZ2 4.45Å; L610-W614 VanDerWaalsContact CD1-NE1 3.31Å; L610-W614 PolarHBondContact O-N 3.42Å; L610-W614 VanDerWaalsContact O-N 3.08Å; L610-L948 HydrophobicContact CD1-CD1 3.88Å; L610-L948 HydrophobicContact CD1-CD2 3.65Å; L610-L948 HydrophobicContact CD1-CG 4.44Å; L610-W976 HydrophobicContact CD2-CH2 4.15Å; L610-W976 HydrophobicContact CD2-CZ3 3.63Å; L610-W982 HydrophobicContact CD2-CH2 4.18Å; L610-W982 HydrophobicContact CD2-CZ2 4.42Å
611	K	64.7	Low	61.7	Low	145 Å²	145	68 Å²	68	63%	0.63	34%	0.336	S	S	*	.	H	α-helix	trans	-60.2	-44.2	175.6	-170.2	177.5	178.4	-177.5	0	111.6	E607 M609 W614 Q615	E607-K611 PolarHBondContact O-N 3.01Å; M609-K611 VanDerWaalsContact C-N 3.34Å; M609-K611 PolarHBondContact O-N 3.49Å; K611-W614 PolarHBondContact O-N 3.35Å; K611-Q615 WeakPolarHBondContact O-CG 3.38Å; K611-Q615 PolarHBondContact O-N 3.38Å
612	R	60.2	Low	63.4	Low	143 Å²	143	68.8 Å²	68.8	54%	0.54	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-41	175.4	-72.9	-174.6	-74.5	174.9	-5	112.5	A608 M609 L610 W614 Q615 L616	A608-R612 PolarHBondContact O-N 3.24Å; M609-R612 PolarHBondContact O-N 3.18Å; L610-R612 PolarHBondContact O-N 3.32Å; R612-W614 PolarHBondContact O-N 2.99Å; R612-Q615 WeakPolarHBondContact O-CB 3.46Å; R612-Q615 PolarHBondContact O-N 3.17Å; R612-L616 PolarHBondContact O-N 2.87Å; R612-L616 VanDerWaalsContact O-N 3.13Å
613	F	67.7	Low	64.2	Low	44 Å²	44	72.9 Å²	72.9	19%	0.193	36%	0.362	C	S	.	.	H	α-helix	trans	-59.3	-47	176.2	175.9	-103.8	0	0	0	112	M609 L610 Q615 L616 D617 L948 L951 A952	M609-F613 PolarHBondContact O-N 2.9Å; L610-F613 WeakPolarHBondContact O-CB 3.49Å; L610-F613 PolarHBondContact O-N 3.13Å; F613-Q615 VanDerWaalsContact C-N 3.31Å; F613-Q615 PolarHBondContact O-N 3.37Å; F613-L616 PolarHBondContact O-N 3.4Å; F613-D617 PolarHBondContact O-N 2.81Å; F613-L948 HydrophobicContact CD1-CD1 3.95Å; F613-L948 HydrophobicContact CE1-CD1 3.98Å; F613-L951 HydrophobicContact CE1-CD2 4.27Å; F613-L951 HydrophobicContact CZ-CD2 4.2Å; F613-L951 HydrophobicContact CZ-CG 4.05Å; F613-A952 HydrophobicContact CD2-CB 3.96Å; F613-A952 HydrophobicContact CE2-CB 3.64Å; F613-A952 HydrophobicContact CZ-CB 4.38Å
614	W	69.6	Low	64.5	Low	84 Å²	84	75.6 Å²	75.6	32%	0.318	38%	0.378	S	S	.	.	H	α-helix	trans	-70.2	-25.7	178	-64.5	123.8	0	0	0	113.8	L610 K611 R612 D617 A618 K969	L610-W614 HydrophobicContact CD1-CZ2 4.45Å; L610-W614 VanDerWaalsContact CD1-NE1 3.31Å; L610-W614 PolarHBondContact O-N 3.42Å; L610-W614 VanDerWaalsContact O-N 3.08Å; K611-W614 PolarHBondContact O-N 3.35Å; R612-W614 PolarHBondContact O-N 2.99Å; W614-D617 HydrophobicContact CE3-CB 4.3Å; W614-D617 PolarHBondContact O-N 3.35Å; W614-A618 WeakPolarHBondContact O-CB 3.42Å; W614-A618 PolarHBondContact O-N 3.5Å; W614-A618 VanDerWaalsContact O-N 3.1Å; W614-K969 HydrophobicContact CH2-CB 4.18Å; W614-K969 HydrophobicContact CH2-CD 4.38Å; W614-K969 HydrophobicContact CH2-CG 3.88Å; W614-K969 HydrophobicContact CZ3-CD 3.91Å; W614-K969 HydrophobicContact CZ3-CG 3.9Å
615	Q	67.1	Low	64.6	Low	113 Å²	113	77.4 Å²	77.4	53%	0.528	39%	0.387	S	S	.	.	H	α-helix	trans	-66.8	-43.3	171.9	-76.2	173.3	-33.6	0	0	111.8	K611 R612 F613 D617 A618	K611-Q615 WeakPolarHBondContact O-CG 3.38Å; K611-Q615 PolarHBondContact O-N 3.38Å; R612-Q615 WeakPolarHBondContact O-CB 3.46Å; R612-Q615 PolarHBondContact O-N 3.17Å; F613-Q615 VanDerWaalsContact C-N 3.31Å; F613-Q615 PolarHBondContact O-N 3.37Å; Q615-D617 VanDerWaalsContact C-N 3.29Å; Q615-D617 PolarHBondContact O-N 3.42Å; Q615-A618 WeakPolarHBondContact O-CB 3.42Å; Q615-A618 PolarHBondContact O-N 2.66Å; Q615-A618 VanDerWaalsContact O-N 3.11Å
616	L	55.1	Low	64.1	Low	121 Å²	121	81.8 Å²	81.8	63%	0.634	41%	0.407	S	S	*	.	H	α-helix	trans	-62	-39	174.4	-70.1	170.1	0	0	0	111.7	R612 F613 A618 I619	R612-L616 PolarHBondContact O-N 2.87Å; R612-L616 VanDerWaalsContact O-N 3.13Å; F613-L616 PolarHBondContact O-N 3.4Å; L616-A618 PolarHBondContact O-N 2.95Å; L616-I619 HydrophobicContact CD2-CD1 4.24Å; L616-I619 WeakPolarHBondContact O-CD1 3.42Å; L616-I619 VanDerWaalsContact O-CG1 3.28Å; L616-I619 WeakPolarHBondContact O-CG1 3.24Å; L616-I619 PolarHBondContact O-N 3.46Å
617	D	69.3	Low	63.7	Low	42 Å²	42	86.4 Å²	86.4	23%	0.225	44%	0.44	C	S	.	.	H	α-helix	trans	-66.7	-26.1	176.5	-165.8	48.6	0	0	0	112.5	F613 W614 Q615 K969 K1060	F613-D617 PolarHBondContact O-N 2.81Å; W614-D617 HydrophobicContact CE3-CB 4.3Å; W614-D617 PolarHBondContact O-N 3.35Å; Q615-D617 VanDerWaalsContact C-N 3.29Å; Q615-D617 PolarHBondContact O-N 3.42Å; D617-K969 IonicContact OD1-NZ 2.79Å; D617-K969 PolarHBondContact OD1-NZ 3.13Å; D617-K969 VanDerWaalsContact OD2-CE 3.27Å; D617-K969 WeakPolarHBondContact OD2-CE 2.9Å; D617-K969 IonicContact OD2-NZ 3.8Å; D617-K969 PolarHBondContact OD2-NZ 2.88Å; D617-K1060 PolarHBondContact O-NZ 2.94Å
618	A	74.5	Confident	62.8	Low	11 Å²	11	84.9 Å²	84.9	9%	0.091	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.4	179.6	0	0	0	0	0	115.2	W614 Q615 L616 G620 V621 S622	W614-A618 WeakPolarHBondContact O-CB 3.42Å; W614-A618 PolarHBondContact O-N 3.5Å; W614-A618 VanDerWaalsContact O-N 3.1Å; Q615-A618 WeakPolarHBondContact O-CB 3.42Å; Q615-A618 PolarHBondContact O-N 2.66Å; Q615-A618 VanDerWaalsContact O-N 3.11Å; L616-A618 PolarHBondContact O-N 2.95Å; A618-G620 PolarHBondContact O-N 3.29Å; A618-V621 CarbonylContact O-C 3.55Å; A618-V621 WeakPolarHBondContact O-CG2 3.47Å; A618-V621 PolarHBondContact O-N 3.41Å; A618-S622 PolarHBondContact O-N 3.26Å; A618-S622 VanDerWaalsContact O-N 3.07Å; A618-S622 PolarHBondContact O-OG 3.07Å
619	I	73	Confident	62.7	Low	44 Å²	44	90.7 Å²	90.7	23%	0.226	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	132	177	-64.1	168.6	0	0	0	110.2	L616 V621 V763 K1060 F1088	L616-I619 HydrophobicContact CD2-CD1 4.24Å; L616-I619 WeakPolarHBondContact O-CD1 3.42Å; L616-I619 VanDerWaalsContact O-CG1 3.28Å; L616-I619 WeakPolarHBondContact O-CG1 3.24Å; L616-I619 PolarHBondContact O-N 3.46Å; I619-V621 VanDerWaalsContact C-N 3.31Å; I619-V621 PolarHBondContact O-N 3.01Å; I619-V763 HydrophobicContact CB-CG2 4.5Å; I619-V763 HydrophobicContact CD1-CG2 4.42Å; I619-V763 HydrophobicContact CG2-CB 4.14Å; I619-V763 HydrophobicContact CG2-CG2 3.73Å; I619-K1060 WeakPolarHBondContact O-CE 3.34Å; I619-K1060 PolarHBondContact O-NZ 2.73Å; I619-F1088 HydrophobicContact CG2-CE2 4.41Å; I619-F1088 HydrophobicContact CG2-CZ 3.95Å
620	G	75.1	Confident	62.3	Low	10 Å²	10	95 Å²	95	10%	0.103	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-7.9	-177.4	0	0	0	0	0	116.2	A618 R1084 L1085	A618-G620 PolarHBondContact O-N 3.29Å; G620-R1084 CarbonylContact O-C 3.59Å; G620-L1085 WeakPolarHBondContact O-CA 3.35Å; G620-L1085 PolarHBondContact O-N 2.92Å
621	V	79.3	Confident	62	Low	2 Å²	2	99.5 Å²	99.5	1%	0.012	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.4	6.8	177.8	-62.3	0	0	0	0	113.4	A618 I619 K1060 I1081 R1084 L1085	A618-V621 CarbonylContact O-C 3.55Å; A618-V621 WeakPolarHBondContact O-CG2 3.47Å; A618-V621 PolarHBondContact O-N 3.41Å; I619-V621 VanDerWaalsContact C-N 3.31Å; I619-V621 PolarHBondContact O-N 3.01Å; V621-K1060 HydrophobicContact CG1-CB 3.95Å; V621-K1060 HydrophobicContact CG1-CG 3.86Å; V621-K1060 HydrophobicContact CG2-CG 4.45Å; V621-I1081 HydrophobicContact CG1-CG2 3.86Å; V621-R1084 VanDerWaalsContact O-CD 3.26Å; V621-R1084 WeakPolarHBondContact O-CD 3.44Å; V621-R1084 PolarHBondContact O-NH1 3.31Å; V621-R1084 VanDerWaalsContact O-NH1 3.08Å; V621-L1085 HydrophobicContact CG1-CB 4.08Å; V621-L1085 HydrophobicContact CG1-CD1 4.35Å
622	S	77.2	Confident	62.6	Low	59 Å²	59	94.2 Å²	94.2	41%	0.413	49%	0.486	S	S	.	.	S	Bend	trans	-66.2	155.6	169.5	-63.8	0	0	0	0	110.6	A618	A618-S622 PolarHBondContact O-N 3.26Å; A618-S622 VanDerWaalsContact O-N 3.07Å; A618-S622 PolarHBondContact O-OG 3.07Å
623	E	64.7	Low	63.8	Low	137 Å²	137	94 Å²	94	64%	0.64	50%	0.495	S	S	*	.			trans	-65	135.2	167.1	-77	160.6	-157.2	0	0	108	E625 R1084	E623-E625 PolarHBondContact O-N 3.03Å; E623-R1084 IonicContact OE1-CZ 3.69Å; E623-R1084 IonicContact OE1-NH1 3.83Å; E623-R1084 IonicContact OE1-NH2 2.67Å; E623-R1084 PolarHBondContact OE1-NH2 2.86Å
624	N	55.9	Low	64.9	Low	131 Å²	131	93.1 Å²	93.1	70%	0.701	49%	0.493	S	S	*	.			trans	-63.7	101.8	174.9	-71.7	-17.2	0	0	0	107.3	D626	N624-D626 PolarHBondContact O-N 3.32Å
625	E	52.1	Low	65.9	Low	179 Å²	179	91 Å²	91	84%	0.836	49%	0.487	S	S	*	.			trans	-67.9	120.2	157.9	-71	-177.2	-179.9	0	0	105.4	E623 S627	E623-E625 PolarHBondContact O-N 3.03Å; E625-S627 VanDerWaalsContact C-N 3.34Å; E625-S627 PolarHBondContact O-N 3.18Å
626	D	44.5	Very low	67	Low	147 Å²	147	89.6 Å²	89.6	79%	0.786	48%	0.48	S	S	*	.			trans	-51.7	102.8	173.7	-79.7	-35.9	0	0	0	108.1	N624 T628	N624-D626 PolarHBondContact O-N 3.32Å; D626-T628 PolarHBondContact O-N 3.12Å; D626-T628 PolarHBondContact O-OG1 2.99Å
627	S	48.5	Very low	68.7	Low	114 Å²	114	86.3 Å²	86.3	80%	0.797	47%	0.47	S	S	*	.			trans	-74.7	62.8	173.3	65.1	0	0	0	0	107.9	E625 E629	E625-S627 VanDerWaalsContact C-N 3.34Å; E625-S627 PolarHBondContact O-N 3.18Å; S627-E629 VanDerWaalsContact C-N 3.33Å; S627-E629 PolarHBondContact O-N 2.82Å
628	T	42.5	Very low	70	Confident	105 Å²	105	84.7 Å²	84.7	64%	0.644	46%	0.461	S	S	*	.			trans	-65.6	105	157.3	34	0	0	0	0	105	D626 K630	D626-T628 PolarHBondContact O-N 3.12Å; D626-T628 PolarHBondContact O-OG1 2.99Å; T628-K630 PolarHBondContact O-N 3.21Å
629	E	51.7	Low	70.8	Confident	175 Å²	175	89.2 Å²	89.2	82%	0.818	48%	0.481	S	S	*	.			trans	-56.2	92.4	169.9	-78.3	-174.8	163.3	0	0	107.2	S627	S627-E629 VanDerWaalsContact C-N 3.33Å; S627-E629 PolarHBondContact O-N 2.82Å
630	K	50	Low	71.8	Confident	173 Å²	173	95.5 Å²	95.5	75%	0.752	51%	0.506	S	S	*	.			trans	-61.3	132.3	174.3	-71.3	-178.4	-180	177	0	107.2	T628 S632	T628-K630 PolarHBondContact O-N 3.21Å; K630-S632 PolarHBondContact O-N 3.47Å; K630-S632 VanDerWaalsContact O-N 3.1Å
631	P	59	Low	72.6	Confident	111 Å²	111	96.5 Å²	96.5	72%	0.721	51%	0.512	S	S	*	.			trans	-54.9	122.1	177.1	18.8	-28.7	0	0	0	109.4
632	S	77.5	Confident	73.4	Confident	33 Å²	33	97.3 Å²	97.3	23%	0.231	52%	0.517	C	S	.	.			trans	-97.8	114.4	-176.7	179.4	0	0	0	0	109.1	K630 V634 M635 E636	K630-S632 PolarHBondContact O-N 3.47Å; K630-S632 VanDerWaalsContact O-N 3.1Å; S632-V634 PolarHBondContact O-N 2.66Å; S632-V634 VanDerWaalsContact O-N 3.12Å; S632-M635 WeakPolarHBondContact O-CA 3.45Å; S632-M635 WeakPolarHBondContact O-CB 3.3Å; S632-M635 PolarHBondContact O-N 3.16Å; S632-E636 PolarHBondContact O-N 3.05Å
633	I	85.2	Confident	74.4	Confident	140 Å²	140	98.6 Å²	98.6	72%	0.718	52%	0.522	S	S	*	.	H	α-helix	trans	-51.4	-36.7	174.2	-62.9	167.7	0	0	0	110.9	E636 A637	I633-E636 PolarHBondContact O-N 3.43Å; I633-A637 WeakPolarHBondContact O-CB 3.45Å; I633-A637 PolarHBondContact O-N 2.69Å
634	V	90.2	Very high	75.9	Confident	25 Å²	25	96 Å²	96	15%	0.152	51%	0.509	C	S	.	.	H	α-helix	trans	-67.1	-39.8	177.9	-176.8	0	0	0	0	111.8	S632 F638 P654 E753 F827	S632-V634 PolarHBondContact O-N 2.66Å; S632-V634 VanDerWaalsContact O-N 3.12Å; V634-F638 WeakPolarHBondContact O-CB 3.49Å; V634-F638 PolarHBondContact O-N 3.45Å; V634-P654 HydrophobicContact CG1-CB 3.78Å; V634-E753 HydrophobicContact CG1-CB 4.5Å; V634-E753 HydrophobicContact CG2-CB 3.87Å; V634-E753 HydrophobicContact CG2-CG 3.93Å; V634-F827 HydrophobicContact CG1-CD1 4.45Å; V634-F827 HydrophobicContact CG1-CE1 3.71Å; V634-F827 HydrophobicContact CG1-CZ 3.91Å
635	M	91.6	Very high	77.8	Confident	40 Å²	40	93.7 Å²	93.7	20%	0.197	50%	0.496	C	S	.	.	H	α-helix	trans	-69.1	-40.4	177.1	-170.9	64	-169	0	0	111.4	S632 F638 Q639 L758 F827	S632-M635 WeakPolarHBondContact O-CA 3.45Å; S632-M635 WeakPolarHBondContact O-CB 3.3Å; S632-M635 PolarHBondContact O-N 3.16Å; M635-F638 HydrophobicContact CE-CD1 3.94Å; M635-F638 HydrophobicContact CE-CE1 4.2Å; M635-F638 WeakPolarHBondContact O-CB 3.46Å; M635-F638 PolarHBondContact O-N 2.96Å; M635-F638 HydrophobicContact SD-CD1 4.02Å; M635-Q639 HydrophobicContact CE-CG 4.12Å; M635-Q639 WeakPolarHBondContact O-CG 3.38Å; M635-Q639 PolarHBondContact O-N 2.77Å; M635-L758 HydrophobicContact SD-CD1 4.45Å; M635-F827 HydrophobicContact SD-CE2 3.97Å; M635-F827 HydrophobicContact SD-CZ 4.27Å
636	E	89.4	Confident	79.6	Confident	83 Å²	83	87.9 Å²	87.9	39%	0.388	48%	0.484	S	S	.	.	H	α-helix	trans	-63.5	-43.4	174.6	-68.9	179.3	-163.3	0	0	111.8	S632 I633 F638 Q639 K640	S632-E636 PolarHBondContact O-N 3.05Å; I633-E636 PolarHBondContact O-N 3.43Å; E636-F638 VanDerWaalsContact C-N 3.33Å; E636-F638 PolarHBondContact O-N 3.33Å; E636-Q639 PolarHBondContact O-N 2.98Å; E636-K640 WeakPolarHBondContact O-CB 3.39Å; E636-K640 WeakPolarHBondContact O-CG 3.36Å; E636-K640 PolarHBondContact O-N 3.48Å
637	A	91.3	Very high	81.9	Confident	52 Å²	52	85.4 Å²	85.4	43%	0.43	47%	0.468	S	S	.	.	H	α-helix	trans	-62.9	-40.2	175.7	0	0	0	0	0	111.8	I633 K640 S641	I633-A637 WeakPolarHBondContact O-CB 3.45Å; I633-A637 PolarHBondContact O-N 2.69Å; A637-K640 PolarHBondContact O-N 3.3Å; A637-S641 WeakPolarHBondContact O-CB 3.43Å; A637-S641 PolarHBondContact O-N 2.9Å; A637-S641 VanDerWaalsContact O-N 3.17Å; A637-S641 PolarHBondContact O-OG 3.47Å
638	F	95.9	Very high	84.1	Confident	7 Å²	7	82.3 Å²	82.3	3%	0.031	44%	0.439	C	S	.	.	H	α-helix	trans	-60	-51.8	172.3	165.4	-95.3	0	0	0	111.4	V634 M635 E636 K640 S641 V642 V651 F827 L828 A831 V832 H835	V634-F638 WeakPolarHBondContact O-CB 3.49Å; V634-F638 PolarHBondContact O-N 3.45Å; M635-F638 HydrophobicContact CE-CD1 3.94Å; M635-F638 HydrophobicContact CE-CE1 4.2Å; M635-F638 WeakPolarHBondContact O-CB 3.46Å; M635-F638 PolarHBondContact O-N 2.96Å; M635-F638 HydrophobicContact SD-CD1 4.02Å; E636-F638 VanDerWaalsContact C-N 3.33Å; E636-F638 PolarHBondContact O-N 3.33Å; F638-K640 VanDerWaalsContact C-N 3.26Å; F638-K640 PolarHBondContact O-N 2.89Å; F638-S641 PolarHBondContact O-N 3.33Å; F638-S641 VanDerWaalsContact O-N 3.07Å; F638-S641 PolarHBondContact O-OG 2.92Å; F638-V642 HydrophobicContact CE1-CG1 4.4Å; F638-V642 HydrophobicContact CE2-CB 4.11Å; F638-V642 HydrophobicContact CE2-CG2 4.22Å; F638-V642 HydrophobicContact CZ-CB 4.1Å; F638-V642 HydrophobicContact CZ-CG1 4.34Å; F638-V642 HydrophobicContact CZ-CG2 4.1Å; F638-V642 WeakPolarHBondContact O-CB 3.47Å; F638-V642 WeakPolarHBondContact O-CG1 3.36Å; F638-V642 PolarHBondContact O-N 3.31Å; F638-V651 HydrophobicContact CD2-CG1 4.34Å; F638-V651 HydrophobicContact CE2-CG1 3.73Å; F638-F827 HydrophobicContact CB-CE1 4.46Å; F638-F827 HydrophobicContact CB-CZ 4.04Å; F638-F827 HydrophobicContact CG-CZ 4.32Å; F638-L828 HydrophobicContact CD2-CD2 4.13Å; F638-A831 HydrophobicContact CD1-CB 3.93Å; F638-A831 HydrophobicContact CD2-CB 4.15Å; F638-A831 HydrophobicContact CE1-CB 3.62Å; F638-A831 HydrophobicContact CE2-CB 3.83Å; F638-A831 HydrophobicContact CG-CB 4.2Å; F638-A831 VanDerWaalsContact CZ-C 3.48Å; F638-A831 HydrophobicContact CZ-CB 3.57Å; F638-V832 HydrophobicContact CE2-CG2 3.74Å; F638-V832 HydrophobicContact CZ-CG2 3.86Å; F638-H835 HydrophobicContact CE1-CB 4.22Å; F638-H835 HydrophobicContact CZ-CB 4.4Å
639	Q	93.4	Very high	86.8	Confident	107 Å²	107	77.5 Å²	77.5	50%	0.5	41%	0.409	S	S	.	.	H	α-helix	trans	-59.9	-35.2	-179.2	-74.6	173.4	-18.5	0	0	112.8	M635 E636	M635-Q639 HydrophobicContact CE-CG 4.12Å; M635-Q639 WeakPolarHBondContact O-CG 3.38Å; M635-Q639 PolarHBondContact O-N 2.77Å; E636-Q639 PolarHBondContact O-N 2.98Å
640	K	92.7	Very high	89	Confident	175 Å²	175	70.4 Å²	70.4	76%	0.761	38%	0.377	S	S	*	.	H	α-helix	trans	-76.2	-21.5	177.5	-71.5	171.7	-178.3	170	0	113.9	E636 A637 F638	E636-K640 WeakPolarHBondContact O-CB 3.39Å; E636-K640 WeakPolarHBondContact O-CG 3.36Å; E636-K640 PolarHBondContact O-N 3.48Å; A637-K640 PolarHBondContact O-N 3.3Å; F638-K640 VanDerWaalsContact C-N 3.26Å; F638-K640 PolarHBondContact O-N 2.89Å
641	S	91.8	Very high	91.3	Very high	32 Å²	32	62.1 Å²	62.1	22%	0.224	34%	0.342	C	S	.	.	H	α-helix	trans	-112.3	-13.5	-172	62.1	0	0	0	0	114.7	A637 F638 V643	A637-S641 WeakPolarHBondContact O-CB 3.43Å; A637-S641 PolarHBondContact O-N 2.9Å; A637-S641 VanDerWaalsContact O-N 3.17Å; A637-S641 PolarHBondContact O-OG 3.47Å; F638-S641 PolarHBondContact O-N 3.33Å; F638-S641 VanDerWaalsContact O-N 3.07Å; F638-S641 PolarHBondContact O-OG 2.92Å; S641-V643 PolarHBondContact O-N 2.92Å
642	V	97.3	Very high	93.1	Very high	19 Å²	19	60.1 Å²	60.1	12%	0.115	32%	0.321	C	S	.	.			trans	-68.6	128.4	176	64.8	0	0	0	0	110.1	F638 Y649 T650 V651	F638-V642 HydrophobicContact CE1-CG1 4.4Å; F638-V642 HydrophobicContact CE2-CB 4.11Å; F638-V642 HydrophobicContact CE2-CG2 4.22Å; F638-V642 HydrophobicContact CZ-CB 4.1Å; F638-V642 HydrophobicContact CZ-CG1 4.34Å; F638-V642 HydrophobicContact CZ-CG2 4.1Å; F638-V642 WeakPolarHBondContact O-CB 3.47Å; F638-V642 WeakPolarHBondContact O-CG1 3.36Å; F638-V642 PolarHBondContact O-N 3.31Å; V642-Y649 HydrophobicContact CG2-CD1 3.74Å; V642-Y649 HydrophobicContact CG2-CG 4.49Å; V642-T650 WeakPolarHBondContact CA-O 3.35Å; V642-V651 HydrophobicContact CG2-CG1 4.16Å
643	V	97	Very high	94	Very high	85 Å²	85	58.8 Å²	58.8	52%	0.515	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.6	179.4	179.6	0	0	0	0	109.1	S641 Y649 T650	S641-V643 PolarHBondContact O-N 2.92Å; V643-Y649 CarbonylContact O-C 3.46Å; V643-Y649 WeakPolarHBondContact O-CA 3.38Å; V643-T650 PolarHBondContact N-O 3.17Å; V643-T650 PolarHBondContact O-N 2.96Å
644	F	97.7	Very high	94.5	Very high	83 Å²	83	53.1 Å²	53.1	36%	0.364	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128	174.2	-175.6	-117.8	0	0	0	109.3	G646 Y649 Q883	F644-G646 WeakPolarHBondContact CZ-O 3.42Å; F644-Y649 HydrophobicContact CB-CD1 3.8Å; F644-Y649 HydrophobicContact CB-CE1 3.61Å; F644-Y649 AromaticContact CD2-CD1 3.9Å; F644-Y649 HydrophobicContact CD2-CD1 3.9Å; F644-Y649 AromaticContact CD2-CD2 3.81Å; F644-Y649 HydrophobicContact CD2-CD2 3.81Å; F644-Y649 AromaticContact CD2-CE1 3.8Å; F644-Y649 HydrophobicContact CD2-CE1 3.8Å; F644-Y649 AromaticContact CD2-CE2 3.69Å; F644-Y649 HydrophobicContact CD2-CE2 3.69Å; F644-Y649 AromaticContact CD2-CG 3.91Å; F644-Y649 HydrophobicContact CD2-CG 3.91Å; F644-Y649 AromaticContact CD2-CZ 3.68Å; F644-Y649 HydrophobicContact CE2-CD2 4.23Å; F644-Y649 AromaticContact CE2-CE2 3.97Å; F644-Y649 HydrophobicContact CE2-CE2 3.97Å; F644-Y649 HydrophobicContact CG-CD1 4.21Å; F644-Y649 AromaticContact CG-CE1 3.87Å; F644-Y649 HydrophobicContact CG-CE1 3.87Å; F644-Y649 HydrophobicContact CG-CE2 4.44Å; F644-Y649 AromaticContact CG-CZ 3.98Å; F644-Q883 WeakPolarHBondContact CZ-O 3.39Å
645	D	94.2	Very high	94.6	Very high	83 Å²	83	54.6 Å²	54.6	44%	0.444	29%	0.287	S	S	.	.			trans	-98.3	8.7	-177.4	67.2	-4.1	0	0	0	113.7	E647 R648 R788	D645-E647 PolarHBondContact OD1-N 3.26Å; D645-R648 PolarHBondContact N-O 2.84Å; D645-R648 PolarHBondContact OD1-N 2.88Å; D645-R648 VanDerWaalsContact OD1-O 3.04Å; D645-R788 IonicContact OD2-CZ 2.71Å; D645-R788 IonicContact OD2-NH1 3.25Å; D645-R788 PolarHBondContact OD2-NH1 2.92Å; D645-R788 IonicContact OD2-NH2 2.92Å; D645-R788 PolarHBondContact OD2-NH2 2.92Å
646	G	91.2	Very high	94.4	Very high	57 Å²	57	57.2 Å²	57.2	59%	0.588	30%	0.297	S	S	*	.	S	Bend	trans	94.9	-14.7	-173.1	0	0	0	0	0	113.7	F644	F644-G646 WeakPolarHBondContact CZ-O 3.42Å
647	E	92.4	Very high	93.9	Very high	94 Å²	94	57.5 Å²	57.5	44%	0.439	30%	0.304	S	S	.	.	S	Bend	trans	-120.8	-47.5	-179.4	-169.5	-153	118.1	0	0	111.4	D645 R788 G884 G885	D645-E647 PolarHBondContact OD1-N 3.26Å; E647-R788 IonicContact OE1-NH2 2.89Å; E647-R788 PolarHBondContact OE1-NH2 2.92Å; E647-R788 VanDerWaalsContact OE1-NH2 3.13Å; E647-R788 IonicContact OE2-NH2 3.26Å; E647-R788 PolarHBondContact OE2-NH2 2.78Å; E647-G884 CarbonylContact O-C 3.51Å; E647-G885 VanDerWaalsContact O-CA 3.26Å; E647-G885 WeakPolarHBondContact O-CA 3.44Å; E647-G885 PolarHBondContact O-N 2.88Å
648	R	94.8	Very high	93.3	Very high	49 Å²	49	63.6 Å²	63.6	19%	0.185	32%	0.324	C	S	.	.			trans	-146.8	154.7	-174.8	-74.4	-179.7	166.3	63.5	11.1	112.6	D645 Q786 R788 G885	D645-R648 PolarHBondContact N-O 2.84Å; D645-R648 PolarHBondContact OD1-N 2.88Å; D645-R648 VanDerWaalsContact OD1-O 3.04Å; R648-Q786 VanDerWaalsContact NH2-OE1 3.15Å; R648-R788 HydrophobicContact CB-CG 4.09Å; R648-G885 PolarHBondContact NH2-O 3.48Å; R648-G885 VanDerWaalsContact NH2-O 3.15Å
649	Y	98.5	Very high	92.5	Very high	5 Å²	5	65.9 Å²	65.9	2%	0.02	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	141.1	173.8	-68.6	-85.8	0	0	0	112.2	V642 V643 F644 R788 V832 H835 H836 F886	V642-Y649 HydrophobicContact CG2-CD1 3.74Å; V642-Y649 HydrophobicContact CG2-CG 4.49Å; V643-Y649 CarbonylContact O-C 3.46Å; V643-Y649 WeakPolarHBondContact O-CA 3.38Å; F644-Y649 HydrophobicContact CB-CD1 3.8Å; F644-Y649 HydrophobicContact CB-CE1 3.61Å; F644-Y649 AromaticContact CD2-CD1 3.9Å; F644-Y649 HydrophobicContact CD2-CD1 3.9Å; F644-Y649 AromaticContact CD2-CD2 3.81Å; F644-Y649 HydrophobicContact CD2-CD2 3.81Å; F644-Y649 AromaticContact CD2-CE1 3.8Å; F644-Y649 HydrophobicContact CD2-CE1 3.8Å; F644-Y649 AromaticContact CD2-CE2 3.69Å; F644-Y649 HydrophobicContact CD2-CE2 3.69Å; F644-Y649 AromaticContact CD2-CG 3.91Å; F644-Y649 HydrophobicContact CD2-CG 3.91Å; F644-Y649 AromaticContact CD2-CZ 3.68Å; F644-Y649 HydrophobicContact CE2-CD2 4.23Å; F644-Y649 AromaticContact CE2-CE2 3.97Å; F644-Y649 HydrophobicContact CE2-CE2 3.97Å; F644-Y649 HydrophobicContact CG-CD1 4.21Å; F644-Y649 AromaticContact CG-CE1 3.87Å; F644-Y649 HydrophobicContact CG-CE1 3.87Å; F644-Y649 HydrophobicContact CG-CE2 4.44Å; F644-Y649 AromaticContact CG-CZ 3.98Å; Y649-R788 WeakPolarHBondContact O-CB 3.49Å; Y649-R788 PolarHBondContact O-N 2.98Å; Y649-V832 HydrophobicContact CD1-CG1 4.33Å; Y649-V832 HydrophobicContact CD2-CG1 3.5Å; Y649-V832 VanDerWaalsContact CD2-CG1 3.5Å; Y649-V832 HydrophobicContact CE2-CG1 4.3Å; Y649-V832 HydrophobicContact CG-CG1 3.52Å; Y649-H835 AromaticContact CE1-CD2 3.69Å; Y649-H836 HydrophobicContact CE2-CB 3.69Å; Y649-H836 AromaticContact CE2-CG 3.74Å; Y649-H836 AromaticContact CE2-ND1 3.43Å; Y649-H836 WeakPolarHBondContact CE2-ND1 3.44Å; Y649-H836 AromaticContact CZ-ND1 3.57Å; Y649-H836 PolarHBondContact OH-ND1 2.9Å; Y649-F886 HydrophobicContact CD2-CE2 4.31Å
650	T	98.6	Very high	91.9	Very high	25 Å²	25	66.8 Å²	66.8	15%	0.153	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.4	171.2	-56.2	0	0	0	0	109.7	V642 V643 R788 H790	V642-T650 WeakPolarHBondContact CA-O 3.35Å; V643-T650 PolarHBondContact N-O 3.17Å; V643-T650 PolarHBondContact O-N 2.96Å; T650-R788 WeakPolarHBondContact CA-O 3.48Å; T650-R788 HydrophobicContact CG2-CB 4.24Å; T650-R788 WeakPolarHBondContact OG1-CB 3.46Å; T650-H790 HydrophobicContact CG2-CB 4.12Å
651	V	98.4	Very high	91.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	155.3	-179.8	-57.7	0	0	0	0	111.7	F638 V642 I787 R788 H790 V818 L828 V832	F638-V651 HydrophobicContact CD2-CG1 4.34Å; F638-V651 HydrophobicContact CE2-CG1 3.73Å; V642-V651 HydrophobicContact CG2-CG1 4.16Å; V651-I787 HydrophobicContact CG1-CG2 3.97Å; V651-I787 HydrophobicContact CG2-CG2 3.78Å; V651-R788 PolarHBondContact N-O 3.03Å; V651-H790 WeakPolarHBondContact O-CB 3.45Å; V651-H790 PolarHBondContact O-N 3.35Å; V651-V818 HydrophobicContact CG2-CG2 3.56Å; V651-L828 HydrophobicContact CB-CD2 4.35Å; V651-L828 HydrophobicContact CG2-CD1 4.15Å; V651-L828 HydrophobicContact CG2-CD2 4.24Å; V651-V832 HydrophobicContact CG1-CG2 3.47Å; V651-V832 VanDerWaalsContact CG1-CG2 3.47Å
652	K	97	Very high	91.2	Very high	68 Å²	68	58.1 Å²	58.1	30%	0.296	30%	0.303	S	S	.	.			trans	-95.5	154.1	169	-64	-164.5	178.8	-159.5	0	111	H790 E792 D793	K652-H790 HydrophobicContact CG-CB 3.68Å; K652-E792 IonicContact NZ-OE1 2.79Å; K652-E792 IonicContact NZ-OE2 3.34Å; K652-E792 PolarHBondContact NZ-OE2 2.91Å; K652-D793 WeakPolarHBondContact CA-OD2 3.15Å; K652-D793 WeakPolarHBondContact CB-OD2 3.4Å
653	L	96	Very high	90.7	Very high	6 Å²	6	60.1 Å²	60.1	3%	0.031	31%	0.313	C	S	.	.			trans	-71.2	137.5	170.6	-63.4	179.8	0	0	0	109.7	W655 L752 L789 D793 V796 L822 L828	L653-W655 HydrophobicContact CD1-CZ2 4.2Å; L653-W655 PolarHBondContact O-N 3.39Å; L653-L752 HydrophobicContact CB-CD2 3.73Å; L653-L752 HydrophobicContact CD1-CD1 4.23Å; L653-L752 HydrophobicContact CD1-CD2 4.23Å; L653-L752 HydrophobicContact CD2-CD1 4.46Å; L653-L789 HydrophobicContact CD2-CD1 3.76Å; L653-L789 HydrophobicContact CG-CD1 3.92Å; L653-D793 HydrophobicContact CB-CB 4.42Å; L653-D793 HydrophobicContact CD1-CB 3.96Å; L653-D793 HydrophobicContact CG-CB 3.88Å; L653-D793 PolarHBondContact N-OD2 3.44Å; L653-V796 HydrophobicContact CD1-CG2 3.63Å; L653-L822 HydrophobicContact CD2-CD1 3.9Å; L653-L828 HydrophobicContact CD2-CD1 4.28Å
654	P	94.5	Very high	90.4	Very high	20 Å²	20	56 Å²	56	13%	0.13	29%	0.288	C	S	.	.			trans	-80.5	88.4	-179.2	33	-35.2	0	0	0	109.9	V634 L752 E753 C824	V634-P654 HydrophobicContact CG1-CB 3.78Å; P654-L752 CarbonylContact O-C 3.58Å; P654-L752 WeakPolarHBondContact O-CA 3.24Å; P654-E753 HydrophobicContact CB-CB 4.19Å; P654-E753 HydrophobicContact CG-CB 4.38Å; P654-E753 WeakPolarHBondContact CG-O 3.49Å; P654-E753 PolarHBondContact O-N 3.26Å; P654-C824 HydrophobicContact CG-CB 3.62Å
655	W	92.5	Very high	90.1	Very high	56 Å²	56	54.6 Å²	54.6	21%	0.212	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-71.6	138.1	179.2	-66.8	97	0	0	0	112.2	L653 K659 L661 L748 Q751 L752 D793 V796	L653-W655 HydrophobicContact CD1-CZ2 4.2Å; L653-W655 PolarHBondContact O-N 3.39Å; W655-K659 HydrophobicContact CD2-CG 4.02Å; W655-K659 HydrophobicContact CE3-CG 4.13Å; W655-K659 HydrophobicContact CH2-CG 3.94Å; W655-K659 HydrophobicContact CZ2-CD 4.05Å; W655-K659 VanDerWaalsContact CZ2-CE 3.47Å; W655-K659 HydrophobicContact CZ2-CG 3.78Å; W655-K659 HydrophobicContact CZ3-CG 4.1Å; W655-K659 VanDerWaalsContact NE1-CE 3.3Å; W655-L661 HydrophobicContact CH2-CD1 3.85Å; W655-L661 HydrophobicContact CZ3-CD1 4.11Å; W655-L748 HydrophobicContact CH2-CD1 3.69Å; W655-L748 HydrophobicContact CZ3-CD1 4.14Å; W655-Q751 HydrophobicContact CE3-CB 4.09Å; W655-Q751 HydrophobicContact CZ3-CB 3.81Å; W655-L752 HydrophobicContact CD2-CD2 3.82Å; W655-L752 HydrophobicContact CE3-CD2 3.85Å; W655-L752 HydrophobicContact CG-CD2 4.35Å; W655-L752 HydrophobicContact CH2-CD2 4.23Å; W655-L752 HydrophobicContact CZ2-CD2 4.23Å; W655-L752 HydrophobicContact CZ3-CD2 4.06Å; W655-D793 PolarHBondContact NE1-OD1 3.23Å; W655-V796 HydrophobicContact CH2-CB 4.11Å; W655-V796 HydrophobicContact CH2-CG1 3.8Å; W655-V796 HydrophobicContact CH2-CG2 3.86Å; W655-V796 HydrophobicContact CZ2-CB 4.28Å; W655-V796 HydrophobicContact CZ2-CG1 3.98Å; W655-V796 HydrophobicContact CZ2-CG2 3.62Å
656	K	88.2	Confident	89.6	Confident	96 Å²	96	54.3 Å²	54.3	42%	0.417	28%	0.28	S	S	.	.	S	Bend	trans	-75	-39.5	172.1	-74.4	-179.6	171.2	168.9	0	113	D750 Q751 L752 E753	K656-D750 WeakPolarHBondContact CD-O 3.43Å; K656-D750 PolarHBondContact NZ-O 2.97Å; K656-Q751 WeakPolarHBondContact CB-O 3.27Å; K656-Q751 WeakPolarHBondContact CG-O 3.43Å; K656-Q751 PolarHBondContact N-O 3.26Å; K656-L752 WeakPolarHBondContact CE-O 3.2Å; K656-E753 WeakPolarHBondContact CE-OE2 3.44Å; K656-E753 HydrophobicContact CG-CG 3.65Å; K656-E753 WeakPolarHBondContact CG-OE1 3.24Å
657	V	78.9	Confident	89.4	Confident	88 Å²	88	52.9 Å²	52.9	53%	0.533	26%	0.259	S	S	.	.	S	Bend	trans	-145	171.3	-176	-66.4	0	0	0	0	107.9
658	E	78	Confident	89.3	Confident	180 Å²	180	48.6 Å²	48.6	84%	0.841	24%	0.239	S	C	*	.	S	Bend	trans	-56.2	149.1	175.1	-67	-178	172.9	0	0	112.5	N660	E658-N660 PolarHBondContact O-N 2.97Å; E658-N660 VanDerWaalsContact O-N 3.1Å
659	K	79	Confident	89.2	Confident	55 Å²	55	49.6 Å²	49.6	24%	0.239	25%	0.246	C	C	.	.			trans	-60.7	113.1	-178	-66.3	173.7	-178.4	169.3	0	109.9	W655 G713 E714 E792 D793	W655-K659 HydrophobicContact CD2-CG 4.02Å; W655-K659 HydrophobicContact CE3-CG 4.13Å; W655-K659 HydrophobicContact CH2-CG 3.94Å; W655-K659 HydrophobicContact CZ2-CD 4.05Å; W655-K659 VanDerWaalsContact CZ2-CE 3.47Å; W655-K659 HydrophobicContact CZ2-CG 3.78Å; W655-K659 HydrophobicContact CZ3-CG 4.1Å; W655-K659 VanDerWaalsContact NE1-CE 3.3Å; K659-G713 CarbonylContact C-O 3.57Å; K659-E714 HydrophobicContact CB-CG 4.49Å; K659-E714 HydrophobicContact CD-CG 4.5Å; K659-E792 PolarHBondContact NZ-O 3.33Å; K659-D793 WeakPolarHBondContact CE-OD1 3.14Å; K659-D793 IonicContact NZ-OD1 2.67Å; K659-D793 PolarHBondContact NZ-OD1 3.11Å
660	N	81.2	Confident	88.6	Confident	127 Å²	127	50.6 Å²	50.6	68%	0.679	25%	0.251	S	S	*	.			trans	-142.5	65.8	175.4	-169.8	6.7	0	0	0	110.1	E658	E658-N660 PolarHBondContact O-N 2.97Å; E658-N660 VanDerWaalsContact O-N 3.1Å
661	L	86.2	Confident	88.3	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-98.2	125.8	-177.6	-72.8	169.2	0	0	0	111.3	W655 G713 W716 V746 L748 Q751 V796	W655-L661 HydrophobicContact CH2-CD1 3.85Å; W655-L661 HydrophobicContact CZ3-CD1 4.11Å; L661-G713 PolarHBondContact N-O 3.39Å; L661-G713 VanDerWaalsContact O-CA 3.24Å; L661-G713 WeakPolarHBondContact O-CA 3.45Å; L661-W716 HydrophobicContact CB-CE3 3.85Å; L661-W716 HydrophobicContact CB-CZ3 4.38Å; L661-W716 HydrophobicContact CD1-CB 3.9Å; L661-W716 HydrophobicContact CD1-CD2 4.47Å; L661-W716 HydrophobicContact CD1-CE3 4.43Å; L661-W716 HydrophobicContact CD1-CG 4.32Å; L661-W716 HydrophobicContact CD2-CD2 4.31Å; L661-W716 HydrophobicContact CD2-CE3 3.87Å; L661-W716 HydrophobicContact CD2-CZ3 4.01Å; L661-W716 HydrophobicContact CG-CE3 4.26Å; L661-V746 HydrophobicContact CD2-CG2 4.46Å; L661-L748 HydrophobicContact CD1-CD1 3.79Å; L661-Q751 HydrophobicContact CD2-CG 3.7Å; L661-Q751 HydrophobicContact CG-CG 4.46Å; L661-V796 HydrophobicContact CD1-CB 4.15Å; L661-V796 HydrophobicContact CD1-CG1 3.83Å
662	P	84.8	Confident	88.1	Confident	24 Å²	24	53.4 Å²	53.4	16%	0.156	26%	0.259	C	S	.	.			trans	-68.8	139.8	174.1	24.2	-28.1	0	0	0	110.8	N664 W716 F743 R744 V746	P662-N664 PolarHBondContact O-N 3.4Å; P662-W716 HydrophobicContact CG-CZ3 4.09Å; P662-W716 VanDerWaalsContact O-CZ3 3.25Å; P662-W716 WeakPolarHBondContact O-CZ3 3.49Å; P662-F743 HydrophobicContact CB-CD1 4.14Å; P662-F743 HydrophobicContact CB-CE1 4.2Å; P662-F743 HydrophobicContact CG-CD1 4.1Å; P662-R744 HydrophobicContact CB-CB 4.12Å; P662-R744 HydrophobicContact CB-CG 4.44Å; P662-R744 HydrophobicContact CG-CB 3.75Å; P662-V746 VanDerWaalsContact CD-CG2 3.48Å; P662-V746 HydrophobicContact CG-CG2 3.72Å
663	N	86.1	Confident	87.8	Confident	60 Å²	60	52.9 Å²	52.9	32%	0.321	26%	0.257	S	S	.	.			trans	-60.9	110.9	177.2	178.7	-39.6	0	0	0	110.9	L665 E715 F743	N663-L665 WeakPolarHBondContact OD1-CB 3.42Å; N663-L665 PolarHBondContact OD1-N 3.35Å; N663-E715 PolarHBondContact ND2-OE1 3.01Å; N663-F743 WeakPolarHBondContact O-CE1 3.2Å; N663-F743 WeakPolarHBondContact O-CZ 3.4Å
664	N	90.3	Very high	87.4	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.269	C	S	.	.			trans	-103.3	17.8	-177.3	76.1	-30.7	0	0	0	113.6	P662 H666 L667 A668 W716 Y717 F743	P662-N664 PolarHBondContact O-N 3.4Å; N664-H666 PolarHBondContact O-N 2.93Å; N664-H666 VanDerWaalsContact O-N 3.14Å; N664-L667 WeakPolarHBondContact O-CB 3.29Å; N664-L667 PolarHBondContact O-N 3.25Å; N664-A668 PolarHBondContact O-N 3.23Å; N664-W716 HydrophobicContact CB-CD2 4.5Å; N664-W716 HydrophobicContact CB-CE3 4.08Å; N664-W716 HydrophobicContact CB-CH2 4.14Å; N664-W716 HydrophobicContact CB-CZ2 4.47Å; N664-W716 HydrophobicContact CB-CZ3 3.91Å; N664-W716 WeakPolarHBondContact ND2-CZ2 3.33Å; N664-Y717 PolarHBondContact ND2-O 3.1Å; N664-Y717 WeakPolarHBondContact OD1-CB 3.48Å; N664-Y717 WeakPolarHBondContact OD1-CD2 3.36Å; N664-Y717 PolarHBondContact OD1-N 3.27Å; N664-F743 HydrophobicContact CB-CB 3.51Å; N664-F743 HydrophobicContact CB-CD1 3.39Å; N664-F743 HydrophobicContact CB-CD2 4.16Å; N664-F743 HydrophobicContact CB-CE1 4.1Å; N664-F743 HydrophobicContact CB-CG 3.41Å; N664-F743 VanDerWaalsContact CB-CG 3.41Å
665	L	90.4	Very high	87.1	Confident	53 Å²	53	55 Å²	55	28%	0.277	27%	0.266	S	S	.	.	H	α-helix	trans	-49.5	-43.8	-177.9	175	64.6	0	0	0	112.3	N663 L667 A668 Q669 Y717 L800	N663-L665 WeakPolarHBondContact OD1-CB 3.42Å; N663-L665 PolarHBondContact OD1-N 3.35Å; L665-L667 VanDerWaalsContact C-N 3.33Å; L665-L667 PolarHBondContact O-N 3.25Å; L665-A668 PolarHBondContact O-N 2.94Å; L665-Q669 PolarHBondContact O-N 2.74Å; L665-Y717 HydrophobicContact CB-CD2 3.96Å; L665-Y717 HydrophobicContact CB-CE2 3.91Å; L665-Y717 HydrophobicContact CB-CG 4.4Å; L665-Y717 HydrophobicContact CD1-CD1 3.71Å; L665-Y717 HydrophobicContact CD1-CD2 4.43Å; L665-Y717 HydrophobicContact CD1-CE1 3.56Å; L665-Y717 HydrophobicContact CD1-CE2 4.35Å; L665-Y717 HydrophobicContact CD1-CG 4.17Å; L665-L800 HydrophobicContact CD1-CD1 3.86Å; L665-L800 HydrophobicContact CD1-CD2 3.72Å; L665-L800 HydrophobicContact CD1-CG 4.23Å
666	H	84.9	Confident	87	Confident	76 Å²	76	52.4 Å²	52.4	35%	0.352	26%	0.256	S	S	.	.	H	α-helix	trans	-58.7	-42.7	179.4	-175.7	63.1	0	0	0	112.8	N664 Q669 Q670	N664-H666 PolarHBondContact O-N 2.93Å; N664-H666 VanDerWaalsContact O-N 3.14Å; H666-Q669 PolarHBondContact O-N 2.89Å; H666-Q670 PolarHBondContact CE1-NE2 2.92Å; H666-Q670 PolarHBondContact NE2-NE2 3.3Å; H666-Q670 WeakPolarHBondContact O-CG 3.37Å; H666-Q670 PolarHBondContact O-N 3.16Å
667	L	87.1	Confident	87	Confident	28 Å²	28	54.1 Å²	54.1	15%	0.147	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-45.8	177.8	174.6	65.3	0	0	0	110.5	N664 L665 Q669 Q670 R671 P719 S742 F743	N664-L667 WeakPolarHBondContact O-CB 3.29Å; N664-L667 PolarHBondContact O-N 3.25Å; L665-L667 VanDerWaalsContact C-N 3.33Å; L665-L667 PolarHBondContact O-N 3.25Å; L667-Q669 VanDerWaalsContact C-N 3.3Å; L667-Q669 PolarHBondContact O-N 2.83Å; L667-Q670 PolarHBondContact O-N 3.47Å; L667-R671 HydrophobicContact CD1-CG 4.17Å; L667-R671 HydrophobicContact CG-CG 4.47Å; L667-R671 WeakPolarHBondContact O-CB 3.33Å; L667-R671 WeakPolarHBondContact O-CG 3.5Å; L667-R671 PolarHBondContact O-N 3.21Å; L667-P719 HydrophobicContact CG-CG 4.48Å; L667-S742 WeakPolarHBondContact CD2-O 3.49Å; L667-F743 HydrophobicContact CB-CD2 4Å; L667-F743 HydrophobicContact CD2-CB 3.89Å; L667-F743 HydrophobicContact CD2-CD2 4.29Å
668	A	91	Very high	87.4	Confident	3 Å²	3	54.3 Å²	54.3	3%	0.025	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-41.2	178.2	0	0	0	0	0	111.6	N664 L665 R671 L672 L800	N664-A668 PolarHBondContact O-N 3.23Å; L665-A668 PolarHBondContact O-N 2.94Å; A668-R671 PolarHBondContact O-N 3.24Å; A668-L672 WeakPolarHBondContact O-CB 3.32Å; A668-L672 PolarHBondContact O-N 2.87Å; A668-L800 HydrophobicContact CB-CD1 4.07Å; A668-L800 HydrophobicContact CB-CG 4.33Å
669	Q	91.1	Very high	87.9	Confident	71 Å²	71	45.7 Å²	45.7	33%	0.332	21%	0.211	S	C	.	.	H	α-helix	trans	-63.4	-48.6	177.4	-175.4	178	-18.8	0	0	112	L665 H666 L667 R671 L672 E673 L800	L665-Q669 PolarHBondContact O-N 2.74Å; H666-Q669 PolarHBondContact O-N 2.89Å; L667-Q669 VanDerWaalsContact C-N 3.3Å; L667-Q669 PolarHBondContact O-N 2.83Å; Q669-R671 PolarHBondContact O-N 3.48Å; Q669-L672 WeakPolarHBondContact O-CB 3.33Å; Q669-L672 PolarHBondContact O-N 3.37Å; Q669-E673 PolarHBondContact NE2-OE1 2.95Å; Q669-E673 VanDerWaalsContact NE2-OE1 3.13Å; Q669-E673 WeakPolarHBondContact O-CG 3.49Å; Q669-E673 PolarHBondContact O-N 3.45Å; Q669-L800 HydrophobicContact CB-CD1 3.76Å
670	Q	86.8	Confident	88.3	Confident	25 Å²	25	48 Å²	48	12%	0.117	23%	0.226	C	C	.	.	H	α-helix	trans	-58.7	-39.6	176.9	-70.7	-166.1	2.9	0	0	112.1	Y556 H666 L667 E673 Q674	Y556-Q670 PolarHBondContact O-NE2 3.21Å; H666-Q670 PolarHBondContact CE1-NE2 2.92Å; H666-Q670 PolarHBondContact NE2-NE2 3.3Å; H666-Q670 WeakPolarHBondContact O-CG 3.37Å; H666-Q670 PolarHBondContact O-N 3.16Å; L667-Q670 PolarHBondContact O-N 3.47Å; Q670-E673 PolarHBondContact O-N 3.01Å; Q670-Q674 VanDerWaalsContact O-CG 3.26Å; Q670-Q674 WeakPolarHBondContact O-CG 3.35Å; Q670-Q674 PolarHBondContact O-N 3.32Å
671	R	91.2	Very high	88.6	Confident	83 Å²	83	50.5 Å²	50.5	31%	0.313	23%	0.23	S	C	.	.	H	α-helix	trans	-69.3	-37.8	179.2	-68.7	-74.6	-70.7	-178.4	-9.4	112	L667 A668 Q669 Q674 T675 P719	L667-R671 HydrophobicContact CD1-CG 4.17Å; L667-R671 HydrophobicContact CG-CG 4.47Å; L667-R671 WeakPolarHBondContact O-CB 3.33Å; L667-R671 WeakPolarHBondContact O-CG 3.5Å; L667-R671 PolarHBondContact O-N 3.21Å; A668-R671 PolarHBondContact O-N 3.24Å; Q669-R671 PolarHBondContact O-N 3.48Å; R671-Q674 PolarHBondContact O-N 3.46Å; R671-T675 PolarHBondContact O-N 3.18Å; R671-T675 PolarHBondContact O-OG1 3.17Å; R671-P719 HydrophobicContact CB-CB 3.79Å; R671-P719 HydrophobicContact CG-CB 3.91Å; R671-P719 HydrophobicContact CG-CG 4.37Å
672	L	94.9	Very high	88.5	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-52.1	171.2	173.7	62.6	0	0	0	110.7	A668 Q669 Q674 T675 E676 L800 R802 P810	A668-L672 WeakPolarHBondContact O-CB 3.32Å; A668-L672 PolarHBondContact O-N 2.87Å; Q669-L672 WeakPolarHBondContact O-CB 3.33Å; Q669-L672 PolarHBondContact O-N 3.37Å; L672-Q674 VanDerWaalsContact C-N 3.26Å; L672-Q674 PolarHBondContact O-N 3.2Å; L672-T675 CarbonylContact O-C 3.59Å; L672-T675 WeakPolarHBondContact O-CA 3.17Å; L672-T675 WeakPolarHBondContact O-CB 3.15Å; L672-T675 PolarHBondContact O-N 3.41Å; L672-E676 HydrophobicContact CD1-CG 4.01Å; L672-E676 HydrophobicContact CG-CG 4.31Å; L672-E676 WeakPolarHBondContact O-CG 3.4Å; L672-E676 PolarHBondContact O-N 2.81Å; L672-L800 HydrophobicContact CD2-CB 3.8Å; L672-R802 HydrophobicContact CD2-CG 4.42Å; L672-P810 HydrophobicContact CD2-CB 3.97Å; L672-P810 HydrophobicContact CD2-CG 3.88Å
673	E	91.3	Very high	88.4	Confident	56 Å²	56	57.9 Å²	57.9	26%	0.262	27%	0.271	S	S	.	.	H	α-helix	trans	-60.2	-34.8	179.9	-69.9	170.9	-171.3	0	0	112.6	Q669 Q670 R677	Q669-E673 PolarHBondContact NE2-OE1 2.95Å; Q669-E673 VanDerWaalsContact NE2-OE1 3.13Å; Q669-E673 WeakPolarHBondContact O-CG 3.49Å; Q669-E673 PolarHBondContact O-N 3.45Å; Q670-E673 PolarHBondContact O-N 3.01Å; E673-R677 WeakPolarHBondContact O-CB 3.49Å; E673-R677 VanDerWaalsContact O-CG 3.31Å; E673-R677 WeakPolarHBondContact O-CG 3.1Å; E673-R677 PolarHBondContact O-N 3.19Å; E673-R677 PolarHBondContact O-NE 3.48Å
674	Q	86.2	Confident	88.1	Confident	61 Å²	61	63.4 Å²	63.4	29%	0.285	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-45.7	172.4	-74.9	173.7	13.6	0	0	111.9	Q670 R671 L672 E676 R677 R678	Q670-Q674 VanDerWaalsContact O-CG 3.26Å; Q670-Q674 WeakPolarHBondContact O-CG 3.35Å; Q670-Q674 PolarHBondContact O-N 3.32Å; R671-Q674 PolarHBondContact O-N 3.46Å; L672-Q674 VanDerWaalsContact C-N 3.26Å; L672-Q674 PolarHBondContact O-N 3.2Å; Q674-E676 VanDerWaalsContact C-N 3.35Å; Q674-R677 PolarHBondContact O-N 3.05Å; Q674-R678 PolarHBondContact O-N 3.37Å; Q674-R678 VanDerWaalsContact O-N 3.11Å
675	T	88.7	Confident	87.9	Confident	9 Å²	9	65.9 Å²	65.9	6%	0.055	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-44.3	176.1	-70.9	0	0	0	0	110.9	R671 L672 R678 L679 H720	R671-T675 PolarHBondContact O-N 3.18Å; R671-T675 PolarHBondContact O-OG1 3.17Å; L672-T675 CarbonylContact O-C 3.59Å; L672-T675 WeakPolarHBondContact O-CA 3.17Å; L672-T675 WeakPolarHBondContact O-CB 3.15Å; L672-T675 PolarHBondContact O-N 3.41Å; T675-R678 WeakPolarHBondContact O-CB 3.24Å; T675-R678 PolarHBondContact O-N 3.08Å; T675-L679 HydrophobicContact CG2-CD1 3.65Å; T675-L679 HydrophobicContact CG2-CG 4.24Å; T675-L679 WeakPolarHBondContact O-CB 3.46Å; T675-L679 VanDerWaalsContact O-CG 3.32Å; T675-L679 WeakPolarHBondContact O-CG 3.45Å; T675-L679 PolarHBondContact O-N 3.27Å; T675-H720 PolarHBondContact OG1-O 3.16Å
676	E	91.2	Very high	87.8	Confident	3 Å²	3	63.9 Å²	63.9	1%	0.014	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-50.3	177.3	-69.5	175.3	153.4	0	0	111.7	L672 Q674 R678 L679 L680 R802 L804 V806	L672-E676 HydrophobicContact CD1-CG 4.01Å; L672-E676 HydrophobicContact CG-CG 4.31Å; L672-E676 WeakPolarHBondContact O-CG 3.4Å; L672-E676 PolarHBondContact O-N 2.81Å; Q674-E676 VanDerWaalsContact C-N 3.35Å; E676-R678 PolarHBondContact O-N 3.49Å; E676-R678 VanDerWaalsContact O-N 3.16Å; E676-L679 PolarHBondContact O-N 2.99Å; E676-L679 VanDerWaalsContact O-N 3.15Å; E676-L680 WeakPolarHBondContact O-CB 3.49Å; E676-L680 VanDerWaalsContact O-CG 3.31Å; E676-L680 WeakPolarHBondContact O-CG 3.3Å; E676-L680 PolarHBondContact O-N 3.05Å; E676-R802 VanDerWaalsContact OE1-CG 3.24Å; E676-R802 WeakPolarHBondContact OE1-CG 3.45Å; E676-R802 IonicContact OE1-CZ 3.42Å; E676-R802 IonicContact OE1-NE 2.59Å; E676-R802 PolarHBondContact OE1-NE 2.89Å; E676-R802 IonicContact OE1-NH2 3.91Å; E676-R802 IonicContact OE2-CZ 2.61Å; E676-R802 IonicContact OE2-NE 3.03Å; E676-R802 PolarHBondContact OE2-NE 3.25Å; E676-R802 IonicContact OE2-NH2 2.69Å; E676-R802 PolarHBondContact OE2-NH2 2.87Å; E676-L804 HydrophobicContact CB-CD2 4.25Å; E676-L804 HydrophobicContact CG-CD2 3.71Å; E676-V806 HydrophobicContact CB-CG1 4.3Å
677	R	88	Confident	88	Confident	132 Å²	132	64.9 Å²	64.9	50%	0.498	31%	0.307	S	S	.	.	H	α-helix	trans	-57.2	-32.1	176	-78.2	-175.3	-69.4	167	-7.7	113.1	E673 Q674 K681	E673-R677 WeakPolarHBondContact O-CB 3.49Å; E673-R677 VanDerWaalsContact O-CG 3.31Å; E673-R677 WeakPolarHBondContact O-CG 3.1Å; E673-R677 PolarHBondContact O-N 3.19Å; E673-R677 PolarHBondContact O-NE 3.48Å; Q674-R677 PolarHBondContact O-N 3.05Å; R677-K681 WeakPolarHBondContact O-CG 3.35Å
678	R	88.1	Confident	88	Confident	91 Å²	91	64.1 Å²	64.1	34%	0.343	30%	0.304	S	S	.	.	H	α-helix	trans	-75.8	-46.5	176.4	-175.6	-177.7	68.4	172.8	7.6	111.6	Q674 T675 E676 K681 A722	Q674-R678 PolarHBondContact O-N 3.37Å; Q674-R678 VanDerWaalsContact O-N 3.11Å; T675-R678 WeakPolarHBondContact O-CB 3.24Å; T675-R678 PolarHBondContact O-N 3.08Å; E676-R678 PolarHBondContact O-N 3.49Å; E676-R678 VanDerWaalsContact O-N 3.16Å; R678-K681 PolarHBondContact O-N 3.48Å; R678-A722 PolarHBondContact NH2-O 3.01Å
679	L	88	Confident	88	Confident	0 Å²	0	64 Å²	64	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-69.9	-37.4	-177.4	-71	174.4	0	0	0	112.5	T675 E676 K681 R682 E685 A686 Y689 L804	T675-L679 HydrophobicContact CG2-CD1 3.65Å; T675-L679 HydrophobicContact CG2-CG 4.24Å; T675-L679 WeakPolarHBondContact O-CB 3.46Å; T675-L679 VanDerWaalsContact O-CG 3.32Å; T675-L679 WeakPolarHBondContact O-CG 3.45Å; T675-L679 PolarHBondContact O-N 3.27Å; E676-L679 PolarHBondContact O-N 2.99Å; E676-L679 VanDerWaalsContact O-N 3.15Å; L679-K681 PolarHBondContact O-N 3.25Å; L679-K681 VanDerWaalsContact O-N 3.08Å; L679-R682 CarbonylContact O-C 3.49Å; L679-R682 WeakPolarHBondContact O-CA 3.33Å; L679-R682 PolarHBondContact O-N 2.59Å; L679-E685 HydrophobicContact CD2-CB 3.92Å; L679-A686 HydrophobicContact CB-CB 4.15Å; L679-Y689 HydrophobicContact CD1-CD1 3.46Å; L679-Y689 VanDerWaalsContact CD1-CD1 3.46Å; L679-Y689 HydrophobicContact CD1-CD2 3.95Å; L679-Y689 HydrophobicContact CD1-CE1 3.89Å; L679-Y689 HydrophobicContact CD1-CE2 4.34Å; L679-Y689 HydrophobicContact CD1-CG 3.47Å; L679-Y689 VanDerWaalsContact CD1-CG 3.47Å; L679-L804 HydrophobicContact CD1-CD2 4.28Å
680	L	87.4	Confident	88.1	Confident	104 Å²	104	62.4 Å²	62.4	55%	0.545	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.5	175.5	-74.3	170.9	0	0	0	112.9	E676 V806	E676-L680 WeakPolarHBondContact O-CB 3.49Å; E676-L680 VanDerWaalsContact O-CG 3.31Å; E676-L680 WeakPolarHBondContact O-CG 3.3Å; E676-L680 PolarHBondContact O-N 3.05Å; L680-V806 HydrophobicContact CD1-CG1 3.93Å
681	K	87.8	Confident	88.2	Confident	179 Å²	179	64.6 Å²	64.6	78%	0.778	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.2	174.6	-62.4	177	-176.3	-176.7	0	113.5	R677 R678 L679	R677-K681 WeakPolarHBondContact O-CG 3.35Å; R678-K681 PolarHBondContact O-N 3.48Å; L679-K681 PolarHBondContact O-N 3.25Å; L679-K681 VanDerWaalsContact O-N 3.08Å
682	R	83.8	Confident	88.2	Confident	126 Å²	126	61 Å²	61	48%	0.475	30%	0.304	S	S	.	.			trans	-137.1	78.1	-169	-60.8	-173	-178.4	-169.1	-1	111.1	L679 K684 E685 A686	L679-R682 CarbonylContact O-C 3.49Å; L679-R682 WeakPolarHBondContact O-CA 3.33Å; L679-R682 PolarHBondContact O-N 2.59Å; R682-K684 PolarHBondContact O-N 2.96Å; R682-E685 HydrophobicContact CB-CB 4.08Å; R682-E685 HydrophobicContact CB-CG 4.26Å; R682-E685 VanDerWaalsContact CD-OE1 3.26Å; R682-E685 WeakPolarHBondContact CD-OE1 3.34Å; R682-E685 WeakPolarHBondContact CD-OE2 3.45Å; R682-E685 IonicContact CZ-OE1 3.2Å; R682-E685 IonicContact NE-OE1 2.66Å; R682-E685 IonicContact NH1-OE1 3.08Å; R682-E685 PolarHBondContact NH1-OE1 3.1Å; R682-E685 IonicContact NH1-OE2 3.78Å; R682-E685 PolarHBondContact NH1-OE2 3.33Å; R682-E685 PolarHBondContact O-N 2.67Å; R682-A686 PolarHBondContact O-N 2.98Å
683	G	81.9	Confident	88.1	Confident	53 Å²	53	61 Å²	61	55%	0.546	30%	0.303	S	S	.	.	H	α-helix	trans	-48.6	-48.7	-172.4	0	0	0	0	0	115.4	E685 A686 T687	G683-E685 PolarHBondContact O-N 2.89Å; G683-A686 WeakPolarHBondContact O-CB 3.36Å; G683-A686 PolarHBondContact O-N 2.81Å; G683-T687 PolarHBondContact O-N 2.87Å; G683-T687 PolarHBondContact O-OG1 3.39Å; G683-T687 VanDerWaalsContact O-OG1 3.13Å
684	K	81.3	Confident	88.2	Confident	177 Å²	177	63.4 Å²	63.4	77%	0.77	31%	0.313	S	S	*	.	H	α-helix	trans	-62.9	-41.8	179.4	-68.2	-172.5	178.7	-176	0	113.2	R682 A686 A688	R682-K684 PolarHBondContact O-N 2.96Å; K684-A686 VanDerWaalsContact C-N 3.33Å; K684-A688 PolarHBondContact O-N 3.49Å; K684-A688 VanDerWaalsContact O-N 3.16Å
685	E	85.3	Confident	88.4	Confident	51 Å²	51	64.1 Å²	64.1	24%	0.238	32%	0.316	C	S	.	.	H	α-helix	trans	-67.1	-37.5	176.8	-65.6	-179	-158.9	0	0	110.9	L679 R682 G683 A688 Y689 V724	L679-E685 HydrophobicContact CD2-CB 3.92Å; R682-E685 HydrophobicContact CB-CB 4.08Å; R682-E685 HydrophobicContact CB-CG 4.26Å; R682-E685 VanDerWaalsContact CD-OE1 3.26Å; R682-E685 WeakPolarHBondContact CD-OE1 3.34Å; R682-E685 WeakPolarHBondContact CD-OE2 3.45Å; R682-E685 IonicContact CZ-OE1 3.2Å; R682-E685 IonicContact NE-OE1 2.66Å; R682-E685 IonicContact NH1-OE1 3.08Å; R682-E685 PolarHBondContact NH1-OE1 3.1Å; R682-E685 IonicContact NH1-OE2 3.78Å; R682-E685 PolarHBondContact NH1-OE2 3.33Å; R682-E685 PolarHBondContact O-N 2.67Å; G683-E685 PolarHBondContact O-N 2.89Å; E685-A688 PolarHBondContact O-N 3.27Å; E685-Y689 VanDerWaalsContact O-CB 3.32Å; E685-Y689 WeakPolarHBondContact O-CB 3.49Å; E685-Y689 PolarHBondContact O-N 2.96Å; E685-V724 HydrophobicContact CB-CG2 4.05Å; E685-V724 HydrophobicContact CG-CB 4.26Å; E685-V724 HydrophobicContact CG-CG1 4.38Å; E685-V724 HydrophobicContact CG-CG2 3.98Å
686	A	88.5	Confident	88.7	Confident	11 Å²	11	65.2 Å²	65.2	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-46.6	176.3	0	0	0	0	0	112	L679 R682 G683 K684 A688 Y689 L690 L804	L679-A686 HydrophobicContact CB-CB 4.15Å; R682-A686 PolarHBondContact O-N 2.98Å; G683-A686 WeakPolarHBondContact O-CB 3.36Å; G683-A686 PolarHBondContact O-N 2.81Å; K684-A686 VanDerWaalsContact C-N 3.33Å; A686-A688 PolarHBondContact O-N 3.49Å; A686-Y689 WeakPolarHBondContact O-CB 3.31Å; A686-Y689 PolarHBondContact O-N 3.37Å; A686-L690 WeakPolarHBondContact O-CB 3.34Å; A686-L690 WeakPolarHBondContact O-CG 3.33Å; A686-L690 PolarHBondContact O-N 2.91Å; A686-L804 HydrophobicContact CB-CD1 3.93Å
687	T	88.2	Confident	88.8	Confident	97 Å²	97	67.9 Å²	67.9	60%	0.595	34%	0.336	S	S	*	.	H	α-helix	trans	-59.8	-46	176.3	-54	0	0	0	0	111.5	G683 Y689 L690 S691	G683-T687 PolarHBondContact O-N 2.87Å; G683-T687 PolarHBondContact O-OG1 3.39Å; G683-T687 VanDerWaalsContact O-OG1 3.13Å; T687-Y689 PolarHBondContact O-N 2.9Å; T687-L690 PolarHBondContact O-N 3.43Å; T687-S691 PolarHBondContact O-N 2.93Å
688	A	87.2	Confident	89.1	Confident	12 Å²	12	67.2 Å²	67.2	10%	0.099	35%	0.346	C	S	.	.	H	α-helix	trans	-64.6	-39.1	178.6	0	0	0	0	0	112.2	K684 E685 A686 A692 C733	K684-A688 PolarHBondContact O-N 3.49Å; K684-A688 VanDerWaalsContact O-N 3.16Å; E685-A688 PolarHBondContact O-N 3.27Å; A686-A688 PolarHBondContact O-N 3.49Å; A688-A692 WeakPolarHBondContact O-CB 3.29Å; A688-A692 PolarHBondContact O-N 2.99Å; A688-C733 HydrophobicContact CB-CB 3.71Å
689	Y	91.9	Very high	89.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62	-47.6	173.2	166.6	-100	0	0	0	112.5	L679 E685 A686 T687 A692 M693 H720 A722 I735 L804	L679-Y689 HydrophobicContact CD1-CD1 3.46Å; L679-Y689 VanDerWaalsContact CD1-CD1 3.46Å; L679-Y689 HydrophobicContact CD1-CD2 3.95Å; L679-Y689 HydrophobicContact CD1-CE1 3.89Å; L679-Y689 HydrophobicContact CD1-CE2 4.34Å; L679-Y689 HydrophobicContact CD1-CG 3.47Å; L679-Y689 VanDerWaalsContact CD1-CG 3.47Å; E685-Y689 VanDerWaalsContact O-CB 3.32Å; E685-Y689 WeakPolarHBondContact O-CB 3.49Å; E685-Y689 PolarHBondContact O-N 2.96Å; A686-Y689 WeakPolarHBondContact O-CB 3.31Å; A686-Y689 PolarHBondContact O-N 3.37Å; T687-Y689 PolarHBondContact O-N 2.9Å; Y689-A692 PolarHBondContact O-N 3.4Å; Y689-M693 HydrophobicContact CD2-CG 4.38Å; Y689-M693 HydrophobicContact CE1-CG 4.48Å; Y689-M693 HydrophobicContact CE2-CE 4.2Å; Y689-M693 HydrophobicContact CE2-CG 3.85Å; Y689-M693 PolarHBondContact O-N 2.88Å; Y689-H720 AromaticContact CE2-CD2 3.94Å; Y689-H720 AromaticContact CE2-NE2 3.96Å; Y689-H720 AromaticContact CZ-NE2 3.87Å; Y689-H720 PolarHBondContact OH-NE2 3.38Å; Y689-A722 HydrophobicContact CD2-CB 3.88Å; Y689-A722 HydrophobicContact CG-CB 4.46Å; Y689-I735 HydrophobicContact CD2-CD1 3.43Å; Y689-I735 VanDerWaalsContact CD2-CD1 3.43Å; Y689-I735 HydrophobicContact CE2-CD1 3.84Å; Y689-I735 HydrophobicContact CG-CD1 4.48Å; Y689-L804 HydrophobicContact CD1-CD2 4.33Å; Y689-L804 HydrophobicContact CD1-CG 4.47Å; Y689-L804 HydrophobicContact CE1-CD2 3.97Å; Y689-L804 HydrophobicContact CE1-CG 4.32Å
690	L	92	Very high	89.7	Confident	39 Å²	39	70.1 Å²	70.1	20%	0.204	37%	0.368	C	S	.	.	H	α-helix	trans	-62.4	-44	179.5	-74	-179.8	0	0	0	111.5	A686 T687 M693 K694 N803 L804	A686-L690 WeakPolarHBondContact O-CB 3.34Å; A686-L690 WeakPolarHBondContact O-CG 3.33Å; A686-L690 PolarHBondContact O-N 2.91Å; T687-L690 PolarHBondContact O-N 3.43Å; L690-M693 PolarHBondContact O-N 3Å; L690-K694 WeakPolarHBondContact O-CB 3.35Å; L690-K694 VanDerWaalsContact O-CG 3.28Å; L690-K694 WeakPolarHBondContact O-CG 3.12Å; L690-K694 PolarHBondContact O-N 3.41Å; L690-N803 WeakPolarHBondContact CD2-OD1 3.32Å; L690-L804 HydrophobicContact CD1-CD1 4.03Å; L690-L804 HydrophobicContact CD2-CB 4.45Å; L690-L804 HydrophobicContact CD2-CD1 4.01Å; L690-L804 HydrophobicContact CD2-CG 3.79Å; L690-L804 HydrophobicContact CG-CD1 3.94Å; L690-L804 HydrophobicContact CG-CG 4.3Å
691	S	90.1	Very high	90.1	Very high	70 Å²	70	66.1 Å²	66.1	49%	0.49	35%	0.346	S	S	.	.	H	α-helix	trans	-59.3	-49.6	175.2	-167.3	0	0	0	0	111.1	T687 M693 K694 E695	T687-S691 PolarHBondContact O-N 2.93Å; S691-M693 PolarHBondContact O-N 3.25Å; S691-K694 PolarHBondContact O-N 3.41Å; S691-E695 PolarHBondContact O-N 3.39Å
692	A	90.4	Very high	90.5	Very high	9 Å²	9	57.9 Å²	57.9	7%	0.074	31%	0.311	C	S	.	.	H	α-helix	trans	-62.6	-41.5	-179.5	0	0	0	0	0	112.6	A688 Y689 E695 Y696 C733 I735	A688-A692 WeakPolarHBondContact O-CB 3.29Å; A688-A692 PolarHBondContact O-N 2.99Å; Y689-A692 PolarHBondContact O-N 3.4Å; A692-E695 WeakPolarHBondContact O-CB 3.21Å; A692-E695 PolarHBondContact O-N 2.86Å; A692-Y696 WeakPolarHBondContact O-CD2 3.36Å; A692-Y696 WeakPolarHBondContact O-CE2 3.45Å; A692-C733 HydrophobicContact CB-CB 4.31Å; A692-I735 HydrophobicContact CB-CD1 4.06Å; A692-I735 HydrophobicContact CB-CG1 4.05Å
693	M	93.1	Very high	91.1	Very high	1 Å²	1	54 Å²	54	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-66.7	-38.8	176.4	-87.7	-62.6	-162.5	0	0	112.8	Y689 L690 S691 E695 Y696 H720 I735 F737 F799 W801	Y689-M693 HydrophobicContact CD2-CG 4.38Å; Y689-M693 HydrophobicContact CE1-CG 4.48Å; Y689-M693 HydrophobicContact CE2-CE 4.2Å; Y689-M693 HydrophobicContact CE2-CG 3.85Å; Y689-M693 PolarHBondContact O-N 2.88Å; L690-M693 PolarHBondContact O-N 3Å; S691-M693 PolarHBondContact O-N 3.25Å; M693-E695 PolarHBondContact O-N 3.12Å; M693-Y696 PolarHBondContact O-N 2.97Å; M693-Y696 VanDerWaalsContact O-N 3.13Å; M693-Y696 HydrophobicContact SD-CD2 4.36Å; M693-H720 WeakPolarHBondContact CE-CD2 3.48Å; M693-H720 WeakPolarHBondContact CE-NE2 3.22Å; M693-I735 HydrophobicContact CE-CG2 3.73Å; M693-I735 HydrophobicContact CG-CD1 4.32Å; M693-I735 HydrophobicContact CG-CG1 4.3Å; M693-I735 HydrophobicContact SD-CG1 4.34Å; M693-I735 HydrophobicContact SD-CG2 4.41Å; M693-F737 HydrophobicContact CE-CE1 4.23Å; M693-F737 HydrophobicContact CE-CZ 3.89Å; M693-F737 HydrophobicContact SD-CZ 4.36Å; M693-F799 HydrophobicContact CE-CD2 4.25Å; M693-F799 HydrophobicContact CE-CE2 4.03Å; M693-F799 HydrophobicContact SD-CE2 4.15Å; M693-W801 HydrophobicContact CB-CD2 4.35Å; M693-W801 HydrophobicContact CB-CH2 4.41Å; M693-W801 HydrophobicContact CB-CZ2 3.7Å
694	K	92.4	Very high	91.7	Very high	107 Å²	107	57 Å²	57	47%	0.465	30%	0.298	S	S	.	.	H	α-helix	trans	-60	-35.2	175.5	-76.7	175.7	-179.8	-174.7	0	111.9	L690 S691 Y696 V697 V698 W801	L690-K694 WeakPolarHBondContact O-CB 3.35Å; L690-K694 VanDerWaalsContact O-CG 3.28Å; L690-K694 WeakPolarHBondContact O-CG 3.12Å; L690-K694 PolarHBondContact O-N 3.41Å; S691-K694 PolarHBondContact O-N 3.41Å; K694-Y696 VanDerWaalsContact C-N 3.28Å; K694-Y696 PolarHBondContact O-N 2.83Å; K694-V697 PolarHBondContact O-N 3.46Å; K694-V698 WeakPolarHBondContact O-CB 2.77Å; K694-V698 VanDerWaalsContact O-CG2 3.32Å; K694-V698 WeakPolarHBondContact O-CG2 2.88Å; K694-V698 PolarHBondContact O-N 3.38Å; K694-W801 HydrophobicContact CG-CH2 4.1Å; K694-W801 HydrophobicContact CG-CZ2 4.47Å
695	E	92.1	Very high	92.1	Very high	76 Å²	76	48.9 Å²	48.9	36%	0.355	26%	0.264	S	S	.	.	H	α-helix	trans	-57.9	-38.4	175.4	-71.5	-179.8	-144.9	0	0	112.7	S691 A692 M693 V697 V698 N699 W701 K782	S691-E695 PolarHBondContact O-N 3.39Å; A692-E695 WeakPolarHBondContact O-CB 3.21Å; A692-E695 PolarHBondContact O-N 2.86Å; M693-E695 PolarHBondContact O-N 3.12Å; E695-V697 VanDerWaalsContact C-N 3.27Å; E695-V697 PolarHBondContact O-N 3.27Å; E695-V698 PolarHBondContact O-N 3.28Å; E695-N699 VanDerWaalsContact O-CB 3.3Å; E695-N699 WeakPolarHBondContact O-CB 3.44Å; E695-N699 PolarHBondContact O-N 2.96Å; E695-N699 PolarHBondContact O-ND2 3.38Å; E695-W701 HydrophobicContact CB-CZ3 4.25Å; E695-K782 IonicContact OE2-NZ 3.66Å; E695-K782 PolarHBondContact OE2-NZ 3.05Å
696	Y	94.3	Very high	91.9	Very high	32 Å²	32	49.2 Å²	49.2	13%	0.125	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-39.1	179.3	-72	-96.1	0	0	0	112	A692 M693 K694 W701 V702 I735 F737 M785 F815	A692-Y696 WeakPolarHBondContact O-CD2 3.36Å; A692-Y696 WeakPolarHBondContact O-CE2 3.45Å; M693-Y696 PolarHBondContact O-N 2.97Å; M693-Y696 VanDerWaalsContact O-N 3.13Å; M693-Y696 HydrophobicContact SD-CD2 4.36Å; K694-Y696 VanDerWaalsContact C-N 3.28Å; K694-Y696 PolarHBondContact O-N 2.83Å; Y696-W701 AromaticContact CD1-CE3 3.83Å; Y696-W701 HydrophobicContact CD1-CE3 3.83Å; Y696-W701 HydrophobicContact CE1-CE3 4.28Å; Y696-W701 HydrophobicContact CG-CE3 4.1Å; Y696-W701 PolarHBondContact O-N 3.38Å; Y696-V702 HydrophobicContact CD1-CG1 4.21Å; Y696-V702 PolarHBondContact O-N 3.05Å; Y696-I735 HydrophobicContact CE2-CB 4.18Å; Y696-I735 HydrophobicContact CE2-CG1 3.95Å; Y696-F737 HydrophobicContact CE1-CE2 4.04Å; Y696-F737 AromaticContact CZ-CE2 3.95Å; Y696-M785 HydrophobicContact CD1-SD 4.34Å; Y696-M785 HydrophobicContact CE1-SD 4.04Å; Y696-F815 AromaticContact CD1-CE1 3.67Å; Y696-F815 HydrophobicContact CD1-CE1 3.67Å; Y696-F815 HydrophobicContact CD1-CZ 4.1Å; Y696-F815 AromaticContact CE1-CE1 3.71Å; Y696-F815 HydrophobicContact CE1-CE1 3.71Å; Y696-F815 AromaticContact CE1-CZ 3.96Å; Y696-F815 HydrophobicContact CE1-CZ 3.96Å
697	V	93.5	Very high	90.9	Very high	58 Å²	58	58.1 Å²	58.1	35%	0.352	31%	0.308	S	S	.	.	H	α-helix	trans	-77	-47.4	179.7	-177.9	0	0	0	0	110.8	K694 E695 N699 D700 V702 W801 Y813	K694-V697 PolarHBondContact O-N 3.46Å; E695-V697 VanDerWaalsContact C-N 3.27Å; E695-V697 PolarHBondContact O-N 3.27Å; V697-N699 VanDerWaalsContact C-N 3.31Å; V697-N699 PolarHBondContact O-N 2.9Å; V697-D700 PolarHBondContact O-N 3.33Å; V697-D700 VanDerWaalsContact O-N 3.09Å; V697-V702 HydrophobicContact CG2-CG2 3.93Å; V697-W801 HydrophobicContact CG2-CE3 4.44Å; V697-W801 HydrophobicContact CG2-CZ3 3.89Å; V697-Y813 HydrophobicContact CG2-CE1 3.96Å
698	V	94.7	Very high	89.7	Confident	119 Å²	119	61.8 Å²	61.8	72%	0.721	32%	0.316	S	S	*	.	H	α-helix	trans	-63.4	-36.6	-178	170.8	0	0	0	0	112	K694 E695 D700	K694-V698 WeakPolarHBondContact O-CB 2.77Å; K694-V698 VanDerWaalsContact O-CG2 3.32Å; K694-V698 WeakPolarHBondContact O-CG2 2.88Å; K694-V698 PolarHBondContact O-N 3.38Å; E695-V698 PolarHBondContact O-N 3.28Å; V698-D700 VanDerWaalsContact C-N 3.27Å; V698-D700 PolarHBondContact O-N 3.15Å
699	N	92.8	Very high	88.3	Confident	75 Å²	75	68.5 Å²	68.5	40%	0.401	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	8.7	177.8	-66.2	-83.4	0	0	0	113.5	E695 V697 W701	E695-N699 VanDerWaalsContact O-CB 3.3Å; E695-N699 WeakPolarHBondContact O-CB 3.44Å; E695-N699 PolarHBondContact O-N 2.96Å; E695-N699 PolarHBondContact O-ND2 3.38Å; V697-N699 VanDerWaalsContact C-N 3.31Å; V697-N699 PolarHBondContact O-N 2.9Å; N699-W701 HydrophobicContact CB-CD2 3.77Å; N699-W701 HydrophobicContact CB-CE3 4.28Å; N699-W701 HydrophobicContact CB-CG 4.23Å; N699-W701 HydrophobicContact CB-CH2 3.77Å; N699-W701 HydrophobicContact CB-CZ2 3.31Å; N699-W701 HydrophobicContact CB-CZ3 4.27Å; N699-W701 VanDerWaalsContact CG-CZ2 3.45Å; N699-W701 WeakPolarHBondContact ND2-CH2 3.19Å; N699-W701 VanDerWaalsContact O-CD1 3.28Å; N699-W701 PolarHBondContact O-N 3.43Å; N699-W701 PolarHBondContact O-NE1 2.85Å
700	D	94.3	Very high	86.7	Confident	76 Å²	76	69.2 Å²	69.2	41%	0.406	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	36.7	178.9	-172.7	47.1	0	0	0	113.6	V697 V698 K816	V697-D700 PolarHBondContact O-N 3.33Å; V697-D700 VanDerWaalsContact O-N 3.09Å; V698-D700 VanDerWaalsContact C-N 3.27Å; V698-D700 PolarHBondContact O-N 3.15Å; D700-K816 IonicContact OD1-NZ 3.13Å; D700-K816 PolarHBondContact OD1-NZ 3.06Å; D700-K816 IonicContact OD2-NZ 3.4Å; D700-K816 PolarHBondContact OD2-NZ 3.38Å
701	W	96.1	Very high	85.4	Confident	21 Å²	21	72.8 Å²	72.8	8%	0.08	37%	0.374	C	S	.	.	S	Bend	trans	-83.9	-20.3	173.6	-59.7	-25	0	0	0	112.5	E695 Y696 N699 K782 M785 K816 R817	E695-W701 HydrophobicContact CB-CZ3 4.25Å; Y696-W701 AromaticContact CD1-CE3 3.83Å; Y696-W701 HydrophobicContact CD1-CE3 3.83Å; Y696-W701 HydrophobicContact CE1-CE3 4.28Å; Y696-W701 HydrophobicContact CG-CE3 4.1Å; Y696-W701 PolarHBondContact O-N 3.38Å; N699-W701 HydrophobicContact CB-CD2 3.77Å; N699-W701 HydrophobicContact CB-CE3 4.28Å; N699-W701 HydrophobicContact CB-CG 4.23Å; N699-W701 HydrophobicContact CB-CH2 3.77Å; N699-W701 HydrophobicContact CB-CZ2 3.31Å; N699-W701 HydrophobicContact CB-CZ3 4.27Å; N699-W701 VanDerWaalsContact CG-CZ2 3.45Å; N699-W701 WeakPolarHBondContact ND2-CH2 3.19Å; N699-W701 VanDerWaalsContact O-CD1 3.28Å; N699-W701 PolarHBondContact O-N 3.43Å; N699-W701 PolarHBondContact O-NE1 2.85Å; W701-K782 HydrophobicContact CH2-CD 3.28Å; W701-K782 HydrophobicContact CZ2-CD 3.64Å; W701-K782 HydrophobicContact CZ3-CD 4.09Å; W701-M785 HydrophobicContact CB-SD 3.98Å; W701-M785 HydrophobicContact CD2-CB 3.86Å; W701-M785 HydrophobicContact CD2-CG 3.81Å; W701-M785 HydrophobicContact CD2-SD 3.79Å; W701-M785 HydrophobicContact CE3-CB 4.43Å; W701-M785 HydrophobicContact CE3-CG 3.89Å; W701-M785 HydrophobicContact CE3-SD 3.76Å; W701-M785 HydrophobicContact CG-CB 4.09Å; W701-M785 HydrophobicContact CG-CG 4.28Å; W701-M785 HydrophobicContact CG-SD 3.89Å; W701-M785 HydrophobicContact CZ2-CB 4.39Å; W701-M785 HydrophobicContact CZ3-CG 4.4Å; W701-K816 PolarHBondContact O-N 3.27Å; W701-R817 HydrophobicContact CB-CG 4.05Å; W701-R817 HydrophobicContact CG-CG 4.25Å
702	V	97.2	Very high	84.3	Confident	5 Å²	5	78 Å²	78	3%	0.03	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.1	179.9	-55.9	0	0	0	0	109.4	Y696 V697 F799 Y813 R814 F815	Y696-V702 HydrophobicContact CD1-CG1 4.21Å; Y696-V702 PolarHBondContact O-N 3.05Å; V697-V702 HydrophobicContact CG2-CG2 3.93Å; V702-F799 HydrophobicContact CB-CE1 4.1Å; V702-F799 HydrophobicContact CB-CZ 4.23Å; V702-F799 HydrophobicContact CG1-CE1 3.66Å; V702-F799 HydrophobicContact CG1-CZ 3.93Å; V702-F799 HydrophobicContact CG2-CZ 4.2Å; V702-Y813 HydrophobicContact CB-CD1 4.45Å; V702-Y813 HydrophobicContact CG2-CD1 3.89Å; V702-Y813 HydrophobicContact CG2-CG 4.49Å; V702-R814 CarbonylContact C-O 3.57Å; V702-R814 VanDerWaalsContact CA-O 3.23Å; V702-R814 WeakPolarHBondContact CA-O 3.47Å; V702-R814 WeakPolarHBondContact CB-O 3.09Å; V702-F815 HydrophobicContact CG1-CD1 3.6Å; V702-F815 HydrophobicContact CG1-CE1 3.68Å; V702-F815 HydrophobicContact CG1-CG 4.07Å; V702-F815 HydrophobicContact CG1-CZ 4.19Å
703	E	95.3	Very high	83.5	Confident	44 Å²	44	77.8 Å²	77.8	21%	0.206	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	157.1	173.1	56.4	-166.9	-161.2	0	0	110	A705 R794 Y813 R814 K816	E703-A705 PolarHBondContact O-N 3.48Å; E703-R794 IonicContact OE1-NH1 2.87Å; E703-R794 IonicContact OE2-NH1 3.2Å; E703-Y813 CarbonylContact O-C 3.54Å; E703-Y813 VanDerWaalsContact O-CA 3.24Å; E703-Y813 WeakPolarHBondContact O-CA 3.47Å; E703-R814 HydrophobicContact CG-CG 3.75Å; E703-R814 PolarHBondContact N-O 3.33Å; E703-R814 PolarHBondContact O-N 3.18Å; E703-R814 IonicContact OE1-CZ 3.99Å; E703-R814 VanDerWaalsContact OE1-CZ 3.25Å; E703-R814 IonicContact OE1-NE 3.22Å; E703-R814 PolarHBondContact OE1-NE 2.72Å; E703-R814 IonicContact OE1-NH2 2.68Å; E703-R814 PolarHBondContact OE1-NH2 3.09Å; E703-K816 HydrophobicContact CB-CD 4Å; E703-K816 HydrophobicContact CB-CG 4.24Å; E703-K816 HydrophobicContact CG-CD 4.09Å; E703-K816 HydrophobicContact CG-CG 3.8Å; E703-K816 VanDerWaalsContact OE2-CD 3.28Å; E703-K816 WeakPolarHBondContact OE2-CD 3.29Å; E703-K816 VanDerWaalsContact OE2-CE 3.29Å; E703-K816 WeakPolarHBondContact OE2-CE 3.32Å; E703-K816 WeakPolarHBondContact OE2-CG 3.4Å
704	E	95.3	Very high	83	Confident	116 Å²	116	81.7 Å²	81.7	54%	0.542	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	126.8	167.3	-173.4	170.1	178.3	0	0	108.8	T811 I812	E704-T811 HydrophobicContact CG-CG2 3.76Å; E704-I812 WeakPolarHBondContact CA-O 3.23Å
705	A	90.5	Very high	82.8	Confident	7 Å²	7	77.2 Å²	77.2	6%	0.058	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-70.3	145.6	180	0	0	0	0	0	110.1	E703 K707 R798 I812 R814	E703-A705 PolarHBondContact O-N 3.48Å; A705-K707 PolarHBondContact O-N 3.05Å; A705-R798 HydrophobicContact CB-CG 4.37Å; A705-I812 HydrophobicContact CB-CB 4.26Å; A705-I812 HydrophobicContact CB-CG2 3.67Å; A705-I812 PolarHBondContact N-O 3.36Å; A705-R814 HydrophobicContact CB-CB 4.32Å; A705-R814 HydrophobicContact CB-CG 4.15Å
706	S	79.6	Confident	82.9	Confident	58 Å²	58	73.6 Å²	73.6	41%	0.406	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-61.2	141.2	178.4	90.2	0	0	0	0	110.9	K708	S706-K708 PolarHBondContact O-N 3.45Å; S706-K708 PolarHBondContact OG-N 3.02Å
707	K	67.5	Low	82.9	Confident	198 Å²	198	72.4 Å²	72.4	86%	0.861	37%	0.366	S	S	*	.	S	Bend	trans	-68.7	-8.8	174.2	-66.4	-175.2	-180	179.9	0	113.5	A705 I709	A705-K707 PolarHBondContact O-N 3.05Å; K707-I709 PolarHBondContact O-N 3.4Å
708	K	62.7	Low	83.1	Confident	175 Å²	175	69.6 Å²	69.6	76%	0.761	35%	0.349	S	S	*	.	S	Bend	trans	-67.4	122.8	172.6	-71	-175.4	178.3	180	0	107.8	S706 A710	S706-K708 PolarHBondContact O-N 3.45Å; S706-K708 PolarHBondContact OG-N 3.02Å; K708-A710 PolarHBondContact O-N 3.45Å; K708-A710 VanDerWaalsContact O-N 3.16Å
709	I	58.7	Low	83.1	Confident	152 Å²	152	64 Å²	64	78%	0.779	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-59.4	118.2	174	-53.3	174	0	0	0	106	K707	K707-I709 PolarHBondContact O-N 3.4Å
710	A	59.2	Low	83.2	Confident	15 Å²	15	60.7 Å²	60.7	12%	0.124	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-63.2	159.8	170.6	0	0	0	0	0	108.7	K708 E712 E714 E715	K708-A710 PolarHBondContact O-N 3.45Å; K708-A710 VanDerWaalsContact O-N 3.16Å; A710-E712 PolarHBondContact O-N 2.87Å; A710-E714 HydrophobicContact CB-CB 4.45Å; A710-E715 HydrophobicContact CB-CB 4.23Å
711	N	64.6	Low	82.8	Confident	114 Å²	114	59.5 Å²	59.5	61%	0.61	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-57	142.9	175.4	-65.1	-42.1	0	0	0	109.7	G713 E714	N711-G713 PolarHBondContact O-N 3.4Å; N711-G713 VanDerWaalsContact O-N 3.14Å; N711-E714 HydrophobicContact CB-CG 4.3Å; N711-E714 PolarHBondContact ND2-OE2 3.5Å; N711-E714 PolarHBondContact O-N 2.91Å
712	E	66.6	Low	82.4	Confident	181 Å²	181	58.9 Å²	58.9	85%	0.846	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	123	176.4	-167	173.1	-165.1	0	0	108.9	A710	A710-E712 PolarHBondContact O-N 2.87Å
713	G	72.8	Confident	81.6	Confident	3 Å²	3	61.7 Å²	61.7	3%	0.031	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	110.6	-19	-173.4	0	0	0	0	0	115.4	K659 L661 N711	K659-G713 CarbonylContact C-O 3.57Å; L661-G713 PolarHBondContact N-O 3.39Å; L661-G713 VanDerWaalsContact O-CA 3.24Å; L661-G713 WeakPolarHBondContact O-CA 3.45Å; N711-G713 PolarHBondContact O-N 3.4Å; N711-G713 VanDerWaalsContact O-N 3.14Å
714	E	82.8	Confident	80.7	Confident	83 Å²	83	61.6 Å²	61.6	39%	0.388	31%	0.308	S	S	.	.	S	Bend	trans	-105.8	-0.6	-171.6	-63.3	-175.1	159.2	0	0	114.7	K659 A710 N711 V796	K659-E714 HydrophobicContact CB-CG 4.49Å; K659-E714 HydrophobicContact CD-CG 4.5Å; A710-E714 HydrophobicContact CB-CB 4.45Å; N711-E714 HydrophobicContact CB-CG 4.3Å; N711-E714 PolarHBondContact ND2-OE2 3.5Å; N711-E714 PolarHBondContact O-N 2.91Å; E714-V796 WeakPolarHBondContact O-CG1 3.35Å
715	E	89.1	Confident	79.4	Confident	13 Å²	13	61.9 Å²	61.9	6%	0.061	30%	0.304	C	S	.	.			trans	-117.1	145.1	178.4	62	175.4	172.8	0	0	113.1	N663 A710 Y717 D795 R798	N663-E715 PolarHBondContact ND2-OE1 3.01Å; A710-E715 HydrophobicContact CB-CB 4.23Å; E715-Y717 HydrophobicContact CB-CE2 4.43Å; E715-Y717 HydrophobicContact CG-CE2 4.26Å; E715-Y717 PolarHBondContact OE2-OH 2.69Å; E715-D795 WeakPolarHBondContact CA-O 3.48Å; E715-R798 IonicContact OE2-CZ 3.77Å; E715-R798 IonicContact OE2-NH1 3.84Å; E715-R798 PolarHBondContact OE2-NH1 3.32Å
716	W	93.3	Very high	77.9	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.34	C	S	.	.			trans	-153.7	136.9	175.6	-173.6	-93.3	0	0	0	111.8	L661 P662 N664 A741 F743 V746 L748 D795 V796 R798	L661-W716 HydrophobicContact CB-CE3 3.85Å; L661-W716 HydrophobicContact CB-CZ3 4.38Å; L661-W716 HydrophobicContact CD1-CB 3.9Å; L661-W716 HydrophobicContact CD1-CD2 4.47Å; L661-W716 HydrophobicContact CD1-CE3 4.43Å; L661-W716 HydrophobicContact CD1-CG 4.32Å; L661-W716 HydrophobicContact CD2-CD2 4.31Å; L661-W716 HydrophobicContact CD2-CE3 3.87Å; L661-W716 HydrophobicContact CD2-CZ3 4.01Å; L661-W716 HydrophobicContact CG-CE3 4.26Å; P662-W716 HydrophobicContact CG-CZ3 4.09Å; P662-W716 VanDerWaalsContact O-CZ3 3.25Å; P662-W716 WeakPolarHBondContact O-CZ3 3.49Å; N664-W716 HydrophobicContact CB-CD2 4.5Å; N664-W716 HydrophobicContact CB-CE3 4.08Å; N664-W716 HydrophobicContact CB-CH2 4.14Å; N664-W716 HydrophobicContact CB-CZ2 4.47Å; N664-W716 HydrophobicContact CB-CZ3 3.91Å; N664-W716 WeakPolarHBondContact ND2-CZ2 3.33Å; W716-A741 WeakPolarHBondContact CZ2-O 3.4Å; W716-F743 HydrophobicContact CH2-CB 3.74Å; W716-F743 HydrophobicContact CZ2-CB 4.43Å; W716-F743 HydrophobicContact CZ3-CB 4.31Å; W716-V746 HydrophobicContact CH2-CG2 4.39Å; W716-V746 WeakPolarHBondContact CH2-O 3.34Å; W716-V746 HydrophobicContact CZ3-CG2 4.45Å; W716-L748 HydrophobicContact CG-CB 4.42Å; W716-D795 PolarHBondContact N-O 2.93Å; W716-V796 HydrophobicContact CB-CB 4.11Å; W716-V796 WeakPolarHBondContact CB-O 3.46Å; W716-V796 CarbonylContact O-C 3.51Å; W716-V796 VanDerWaalsContact O-C 3.3Å; W716-R798 WeakPolarHBondContact O-CB 3.21Å; W716-R798 PolarHBondContact O-N 3.37Å
717	Y	95	Very high	76.8	Confident	7 Å²	7	69.7 Å²	69.7	3%	0.027	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-109.5	111	-174.5	-58.9	-100.2	0	0	0	109.4	N664 L665 E715 P719 R798 L800 I812	N664-Y717 PolarHBondContact ND2-O 3.1Å; N664-Y717 WeakPolarHBondContact OD1-CB 3.48Å; N664-Y717 WeakPolarHBondContact OD1-CD2 3.36Å; N664-Y717 PolarHBondContact OD1-N 3.27Å; L665-Y717 HydrophobicContact CB-CD2 3.96Å; L665-Y717 HydrophobicContact CB-CE2 3.91Å; L665-Y717 HydrophobicContact CB-CG 4.4Å; L665-Y717 HydrophobicContact CD1-CD1 3.71Å; L665-Y717 HydrophobicContact CD1-CD2 4.43Å; L665-Y717 HydrophobicContact CD1-CE1 3.56Å; L665-Y717 HydrophobicContact CD1-CE2 4.35Å; L665-Y717 HydrophobicContact CD1-CG 4.17Å; E715-Y717 HydrophobicContact CB-CE2 4.43Å; E715-Y717 HydrophobicContact CG-CE2 4.26Å; E715-Y717 PolarHBondContact OE2-OH 2.69Å; Y717-P719 VanDerWaalsContact O-CD 3.22Å; Y717-P719 WeakPolarHBondContact O-CD 3.43Å; Y717-R798 CarbonylContact C-O 3.56Å; Y717-R798 WeakPolarHBondContact CA-O 3.3Å; Y717-R798 HydrophobicContact CD1-CB 3.73Å; Y717-R798 HydrophobicContact CE1-CB 3.97Å; Y717-R798 HydrophobicContact CG-CB 4.21Å; Y717-R798 PolarHBondContact OH-NH1 2.71Å; Y717-R798 VanDerWaalsContact OH-NH1 3.13Å; Y717-L800 HydrophobicContact CD1-CD2 4.09Å; Y717-L800 HydrophobicContact CD1-CG 4.49Å; Y717-L800 HydrophobicContact CE1-CD2 4.36Å; Y717-I812 HydrophobicContact CD1-CG2 4.32Å; Y717-I812 HydrophobicContact CE1-CD1 4.1Å; Y717-I812 HydrophobicContact CE1-CG1 4.29Å; Y717-I812 HydrophobicContact CE1-CG2 3.68Å
718	L	96.7	Very high	76.2	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.325	C	S	.	.			trans	-73.2	114.5	176.7	-61.8	176.3	0	0	0	110.2	F737 L748 V797 R798 L822	L718-F737 HydrophobicContact CB-CB 4.24Å; L718-F737 HydrophobicContact CB-CD1 4.2Å; L718-F737 HydrophobicContact CD1-CB 4.12Å; L718-L748 HydrophobicContact CD2-CD2 4.01Å; L718-V797 HydrophobicContact CD1-CB 4.09Å; L718-V797 HydrophobicContact CD1-CG1 4.18Å; L718-R798 PolarHBondContact N-O 2.93Å; L718-L822 HydrophobicContact CD2-CD2 4.41Å
719	P	95.3	Very high	75.4	Confident	2 Å²	2	62 Å²	62	1%	0.013	33%	0.328	C	S	.	.			trans	-65.1	146.1	167.9	-18.8	34.9	0	0	0	109.7	L667 R671 Y717 D738 A741	L667-P719 HydrophobicContact CG-CG 4.48Å; R671-P719 HydrophobicContact CB-CB 3.79Å; R671-P719 HydrophobicContact CG-CB 3.91Å; R671-P719 HydrophobicContact CG-CG 4.37Å; Y717-P719 VanDerWaalsContact O-CD 3.22Å; Y717-P719 WeakPolarHBondContact O-CD 3.43Å; P719-D738 WeakPolarHBondContact O-CB 3.42Å; P719-D738 PolarHBondContact O-N 3.45Å; P719-A741 HydrophobicContact CG-CB 3.65Å
720	H	93.9	Very high	75	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.019	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	157.5	179.6	66.8	-74	0	0	0	113.2	T675 Y689 M693 I735 V736 F737 L800	T675-H720 PolarHBondContact OG1-O 3.16Å; Y689-H720 AromaticContact CE2-CD2 3.94Å; Y689-H720 AromaticContact CE2-NE2 3.96Å; Y689-H720 AromaticContact CZ-NE2 3.87Å; Y689-H720 PolarHBondContact OH-NE2 3.38Å; M693-H720 WeakPolarHBondContact CE-CD2 3.48Å; M693-H720 WeakPolarHBondContact CE-NE2 3.22Å; H720-I735 HydrophobicContact CB-CG2 4.02Å; H720-V736 WeakPolarHBondContact CA-O 3.36Å; H720-F737 HydrophobicContact CB-CD1 3.69Å; H720-F737 HydrophobicContact CB-CE1 3.84Å; H720-F737 HydrophobicContact CB-CG 4.24Å; H720-L800 PolarHBondContact CE1-O 2.82Å
721	H	87.2	Confident	74.8	Confident	52 Å²	52	61.3 Å²	61.3	24%	0.241	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	153.7	172.7	65.7	-77.9	0	0	0	111.5	V736	H721-V736 PolarHBondContact N-O 3.5Å; H721-V736 PolarHBondContact O-N 2.89Å
722	A	86.5	Confident	74.7	Confident	8 Å²	8	59.8 Å²	59.8	7%	0.066	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	134.8	173.8	0	0	0	0	0	111.3	R678 Y689 V724 I735	R678-A722 PolarHBondContact NH2-O 3.01Å; Y689-A722 HydrophobicContact CD2-CB 3.88Å; Y689-A722 HydrophobicContact CG-CB 4.46Å; A722-V724 HydrophobicContact CB-CG2 4.42Å; A722-I735 HydrophobicContact CB-CD1 4.45Å
723	V	81.8	Confident	75.4	Confident	63 Å²	63	51.9 Å²	51.9	38%	0.382	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	108.7	163.3	179.3	0	0	0	0	107.9	R734 V736	V723-R734 PolarHBondContact N-O 3.34Å; V723-R734 PolarHBondContact O-N 2.84Å; V723-V736 HydrophobicContact CB-CG2 4.47Å; V723-V736 HydrophobicContact CG2-CG2 3.71Å
724	V	75.2	Confident	75.9	Confident	43 Å²	43	58.3 Å²	58.3	26%	0.261	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.2	-178.5	-174.8	0	0	0	0	109.4	E685 A722 Q732 C733	E685-V724 HydrophobicContact CB-CG2 4.05Å; E685-V724 HydrophobicContact CG-CB 4.26Å; E685-V724 HydrophobicContact CG-CG1 4.38Å; E685-V724 HydrophobicContact CG-CG2 3.98Å; A722-V724 HydrophobicContact CB-CG2 4.42Å; V724-Q732 CarbonylContact C-O 3.53Å; V724-Q732 WeakPolarHBondContact CA-O 3.36Å; V724-Q732 HydrophobicContact CG1-CG 4Å; V724-Q732 WeakPolarHBondContact CG1-O 3.38Å; V724-C733 HydrophobicContact CG2-CB 4.23Å
725	R	68.1	Low	76.3	Confident	121 Å²	121	54.6 Å²	54.6	46%	0.457	29%	0.289	S	S	.	.			trans	-104.2	102.8	177.7	-70.2	-170.3	90.3	158.4	10.2	108.8	D727 K728 Q732	R725-D727 WeakPolarHBondContact CB-OD1 3.22Å; R725-D727 IonicContact NE-OD1 3.74Å; R725-D727 PolarHBondContact O-N 3.28Å; R725-K728 PolarHBondContact O-N 3.46Å; R725-Q732 PolarHBondContact N-O 3.2Å
726	S	60.3	Low	76.2	Confident	116 Å²	116	55.6 Å²	55.6	81%	0.811	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-15.9	-179.9	52.6	0	0	0	0	113.7
727	D	56.3	Low	76.3	Confident	113 Å²	113	55.7 Å²	55.7	60%	0.604	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.4	178.7	58.5	-49.5	0	0	0	113.9	R725	R725-D727 WeakPolarHBondContact CB-OD1 3.22Å; R725-D727 IonicContact NE-OD1 3.74Å; R725-D727 PolarHBondContact O-N 3.28Å
728	K	53.8	Low	76.1	Confident	79 Å²	79	57.5 Å²	57.5	34%	0.343	31%	0.307	S	S	.	.			trans	-110.2	127.2	178.4	-68.6	-156.4	170.5	-154.2	0	111.2	R725	R725-K728 PolarHBondContact O-N 3.46Å
729	T	46.7	Very low	75.8	Confident	133 Å²	133	57.6 Å²	57.6	82%	0.816	31%	0.307	S	S	*	.	S	Bend	trans	-73.1	-39.1	177.9	38.9	0	0	0	0	112.9
730	T	49.5	Very low	75.6	Confident	96 Å²	96	61 Å²	61	59%	0.589	33%	0.332	S	S	*	.	S	Bend	trans	-99.7	-39.1	-170.8	57.1	0	0	0	0	114.5
731	T	54.7	Low	75.2	Confident	57 Å²	57	61.4 Å²	61.4	35%	0.35	34%	0.335	S	S	.	.			trans	-109.2	59.5	176.4	28.5	0	0	0	0	111.1	C733	T731-C733 PolarHBondContact O-N 3.34Å
732	Q	63.8	Low	75	Confident	81 Å²	81	61.6 Å²	61.6	38%	0.379	34%	0.342	S	S	.	.			trans	-61.7	-30.1	-176.4	-159.8	-172.1	3.7	0	0	112	V724 R725	V724-Q732 CarbonylContact C-O 3.53Å; V724-Q732 WeakPolarHBondContact CA-O 3.36Å; V724-Q732 HydrophobicContact CG1-CG 4Å; V724-Q732 WeakPolarHBondContact CG1-O 3.38Å; R725-Q732 PolarHBondContact N-O 3.2Å
733	C	80.7	Confident	74.7	Confident	16 Å²	16	62.2 Å²	62.2	11%	0.108	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.2	-178	-179	0	0	0	0	112	A688 A692 V724 T731	A688-C733 HydrophobicContact CB-CB 3.71Å; A692-C733 HydrophobicContact CB-CB 4.31Å; V724-C733 HydrophobicContact CG2-CB 4.23Å; T731-C733 PolarHBondContact O-N 3.34Å
734	R	84.3	Confident	74.4	Confident	137 Å²	137	65.2 Å²	65.2	52%	0.517	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.2	167.2	-67.7	-173.5	178.7	-147.6	-3.5	109.5	V723	V723-R734 PolarHBondContact N-O 3.34Å; V723-R734 PolarHBondContact O-N 2.84Å
735	I	89.9	Confident	74.2	Confident	5 Å²	5	64.3 Å²	64.3	3%	0.026	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	121.7	173.4	-50.9	-55	0	0	0	108.4	Y689 A692 M693 Y696 H720 A722 F737	Y689-I735 HydrophobicContact CD2-CD1 3.43Å; Y689-I735 VanDerWaalsContact CD2-CD1 3.43Å; Y689-I735 HydrophobicContact CE2-CD1 3.84Å; Y689-I735 HydrophobicContact CG-CD1 4.48Å; A692-I735 HydrophobicContact CB-CD1 4.06Å; A692-I735 HydrophobicContact CB-CG1 4.05Å; M693-I735 HydrophobicContact CE-CG2 3.73Å; M693-I735 HydrophobicContact CG-CD1 4.32Å; M693-I735 HydrophobicContact CG-CG1 4.3Å; M693-I735 HydrophobicContact SD-CG1 4.34Å; M693-I735 HydrophobicContact SD-CG2 4.41Å; Y696-I735 HydrophobicContact CE2-CB 4.18Å; Y696-I735 HydrophobicContact CE2-CG1 3.95Å; H720-I735 HydrophobicContact CB-CG2 4.02Å; A722-I735 HydrophobicContact CB-CD1 4.45Å; I735-F737 HydrophobicContact CB-CE2 3.96Å; I735-F737 HydrophobicContact CB-CZ 4.5Å; I735-F737 HydrophobicContact CG2-CD2 4.04Å; I735-F737 HydrophobicContact CG2-CE1 4.36Å; I735-F737 HydrophobicContact CG2-CE2 3.43Å; I735-F737 VanDerWaalsContact CG2-CE2 3.43Å; I735-F737 HydrophobicContact CG2-CZ 3.64Å
736	V	87.9	Confident	74.8	Confident	35 Å²	35	60.2 Å²	60.2	21%	0.212	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	111.9	177	-179	0	0	0	0	108.1	H720 H721 V723	H720-V736 WeakPolarHBondContact CA-O 3.36Å; H721-V736 PolarHBondContact N-O 3.5Å; H721-V736 PolarHBondContact O-N 2.89Å; V723-V736 HydrophobicContact CB-CG2 4.47Å; V723-V736 HydrophobicContact CG2-CG2 3.71Å
737	F	94.5	Very high	76.2	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.009	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.6	169.9	-64.8	-89.5	0	0	0	108.7	M693 Y696 L718 H720 I735 G739 F799 F815 G821	M693-F737 HydrophobicContact CE-CE1 4.23Å; M693-F737 HydrophobicContact CE-CZ 3.89Å; M693-F737 HydrophobicContact SD-CZ 4.36Å; Y696-F737 HydrophobicContact CE1-CE2 4.04Å; Y696-F737 AromaticContact CZ-CE2 3.95Å; L718-F737 HydrophobicContact CB-CB 4.24Å; L718-F737 HydrophobicContact CB-CD1 4.2Å; L718-F737 HydrophobicContact CD1-CB 4.12Å; H720-F737 HydrophobicContact CB-CD1 3.69Å; H720-F737 HydrophobicContact CB-CE1 3.84Å; H720-F737 HydrophobicContact CB-CG 4.24Å; I735-F737 HydrophobicContact CB-CE2 3.96Å; I735-F737 HydrophobicContact CB-CZ 4.5Å; I735-F737 HydrophobicContact CG2-CD2 4.04Å; I735-F737 HydrophobicContact CG2-CE1 4.36Å; I735-F737 HydrophobicContact CG2-CE2 3.43Å; I735-F737 VanDerWaalsContact CG2-CE2 3.43Å; I735-F737 HydrophobicContact CG2-CZ 3.64Å; F737-G739 PolarHBondContact O-N 2.95Å; F737-F799 HydrophobicContact CD1-CB 4.22Å; F737-F799 HydrophobicContact CD1-CG 4.32Å; F737-F799 HydrophobicContact CE1-CB 3.9Å; F737-F799 AromaticContact CE1-CD1 3.82Å; F737-F799 HydrophobicContact CE1-CD1 3.82Å; F737-F799 AromaticContact CE1-CD2 3.78Å; F737-F799 HydrophobicContact CE1-CD2 3.78Å; F737-F799 HydrophobicContact CE1-CE1 4.24Å; F737-F799 HydrophobicContact CE1-CE2 4.2Å; F737-F799 AromaticContact CE1-CG 3.56Å; F737-F799 HydrophobicContact CE1-CG 3.56Å; F737-F799 HydrophobicContact CE1-CZ 4.41Å; F737-F799 HydrophobicContact CZ-CD1 4.48Å; F737-F799 HydrophobicContact CZ-CD2 4.39Å; F737-F799 HydrophobicContact CZ-CE1 4.47Å; F737-F799 HydrophobicContact CZ-CE2 4.38Å; F737-F799 HydrophobicContact CZ-CG 4.44Å; F737-F799 HydrophobicContact CZ-CZ 4.41Å; F737-F815 AromaticContact CD1-CE2 3.9Å; F737-F815 HydrophobicContact CD1-CE2 3.9Å; F737-F815 HydrophobicContact CD1-CZ 4.3Å; F737-F815 HydrophobicContact CD2-CE2 4.1Å; F737-F815 AromaticContact CD2-CZ 3.77Å; F737-F815 HydrophobicContact CD2-CZ 3.77Å; F737-F815 AromaticContact CE1-CE2 3.85Å; F737-F815 HydrophobicContact CE1-CE2 3.85Å; F737-F815 HydrophobicContact CE1-CZ 4.02Å; F737-F815 HydrophobicContact CE2-CE2 4.07Å; F737-F815 AromaticContact CE2-CZ 3.47Å; F737-F815 HydrophobicContact CE2-CZ 3.47Å; F737-F815 VanDerWaalsContact CE2-CZ 3.47Å; F737-F815 HydrophobicContact CG-CE2 4.02Å; F737-F815 HydrophobicContact CG-CZ 4.18Å; F737-F815 AromaticContact CZ-CE2 3.93Å; F737-F815 HydrophobicContact CZ-CE2 3.93Å; F737-F815 AromaticContact CZ-CZ 3.59Å; F737-F815 HydrophobicContact CZ-CZ 3.59Å; F737-G821 WeakPolarHBondContact O-CA 3.26Å
738	D	91.3	Very high	77.9	Confident	45 Å²	45	49.5 Å²	49.5	24%	0.241	27%	0.27	C	S	.	.			trans	-92.5	83.5	-169.9	-169.8	-1.7	0	0	0	110.8	P719 S740 A741	P719-D738 WeakPolarHBondContact O-CB 3.42Å; P719-D738 PolarHBondContact O-N 3.45Å; D738-S740 PolarHBondContact O-N 2.81Å; D738-S740 PolarHBondContact OD1-N 3.44Å; D738-A741 HydrophobicContact CB-CB 4.17Å; D738-A741 WeakPolarHBondContact O-CB 3.09Å; D738-A741 PolarHBondContact O-N 3Å; D738-A741 VanDerWaalsContact O-N 3.16Å; D738-A741 PolarHBondContact OD1-N 2.83Å; D738-A741 VanDerWaalsContact OD1-N 3.09Å
739	G	90.1	Very high	79.8	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.01	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-12.3	174.8	0	0	0	0	0	114.1	F737 N749	F737-G739 PolarHBondContact O-N 2.95Å; G739-N749 WeakPolarHBondContact O-CB 3.48Å; G739-N749 PolarHBondContact O-N 2.82Å; G739-N749 PolarHBondContact O-ND2 2.94Å
740	S	90.7	Very high	81.9	Confident	75 Å²	75	43.9 Å²	43.9	52%	0.524	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	1.3	177.6	-71.7	0	0	0	0	113	D738 S742 N749	D738-S740 PolarHBondContact O-N 2.81Å; D738-S740 PolarHBondContact OD1-N 3.44Å; S740-S742 PolarHBondContact O-N 3.27Å; S740-S742 VanDerWaalsContact O-N 3.14Å; S740-N749 PolarHBondContact N-ND2 2.99Å; S740-N749 PolarHBondContact OG-ND2 3.47Å
741	A	86.5	Confident	83.8	Confident	11 Å²	11	40.8 Å²	40.8	9%	0.091	22%	0.217	C	C	.	.			trans	-59.8	119	172	0	0	0	0	0	109.3	W716 P719 D738 S747	W716-A741 WeakPolarHBondContact CZ2-O 3.4Å; P719-A741 HydrophobicContact CG-CB 3.65Å; D738-A741 HydrophobicContact CB-CB 4.17Å; D738-A741 WeakPolarHBondContact O-CB 3.09Å; D738-A741 PolarHBondContact O-N 3Å; D738-A741 VanDerWaalsContact O-N 3.16Å; D738-A741 PolarHBondContact OD1-N 2.83Å; D738-A741 VanDerWaalsContact OD1-N 3.09Å; A741-S747 WeakPolarHBondContact O-CB 3.42Å
742	S	82.3	Confident	85.7	Confident	56 Å²	56	38 Å²	38	39%	0.392	20%	0.201	S	C	.	.			trans	-88.9	134.5	-179.9	-172.8	0	0	0	0	110.8	L667 S740 V746	L667-S742 WeakPolarHBondContact CD2-O 3.49Å; S740-S742 PolarHBondContact O-N 3.27Å; S740-S742 VanDerWaalsContact O-N 3.14Å; S742-V746 CarbonylContact C-O 3.56Å; S742-V746 VanDerWaalsContact CA-O 3.32Å; S742-V746 WeakPolarHBondContact CA-O 3.43Å; S742-V746 PolarHBondContact OG-O 3.01Å
743	F	81.3	Confident	87	Confident	21 Å²	21	37.7 Å²	37.7	9%	0.092	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-136.6	131.6	169	-179.5	-103	0	0	0	108.7	P662 N663 N664 L667 W716 G745 V746	P662-F743 HydrophobicContact CB-CD1 4.14Å; P662-F743 HydrophobicContact CB-CE1 4.2Å; P662-F743 HydrophobicContact CG-CD1 4.1Å; N663-F743 WeakPolarHBondContact O-CE1 3.2Å; N663-F743 WeakPolarHBondContact O-CZ 3.4Å; N664-F743 HydrophobicContact CB-CB 3.51Å; N664-F743 HydrophobicContact CB-CD1 3.39Å; N664-F743 HydrophobicContact CB-CD2 4.16Å; N664-F743 HydrophobicContact CB-CE1 4.1Å; N664-F743 HydrophobicContact CB-CG 3.41Å; N664-F743 VanDerWaalsContact CB-CG 3.41Å; L667-F743 HydrophobicContact CB-CD2 4Å; L667-F743 HydrophobicContact CD2-CB 3.89Å; L667-F743 HydrophobicContact CD2-CD2 4.29Å; W716-F743 HydrophobicContact CH2-CB 3.74Å; W716-F743 HydrophobicContact CZ2-CB 4.43Å; W716-F743 HydrophobicContact CZ3-CB 4.31Å; F743-G745 PolarHBondContact O-N 3.44Å; F743-V746 PolarHBondContact N-O 3.18Å; F743-V746 WeakPolarHBondContact O-CG2 3.47Å; F743-V746 PolarHBondContact O-N 3.47Å; F743-V746 VanDerWaalsContact O-O 3.05Å
744	R	74.8	Confident	87.5	Confident	126 Å²	126	39.1 Å²	39.1	48%	0.475	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	29.3	-174	-65.9	-173.9	-174.5	177.6	1.3	114.5	W504 P662 V746	W504-R744 HydrophobicContact CB-CG 4.15Å; W504-R744 HydrophobicContact CD2-CB 4.03Å; W504-R744 HydrophobicContact CD2-CG 3.83Å; W504-R744 HydrophobicContact CE3-CB 4.19Å; W504-R744 HydrophobicContact CE3-CG 3.94Å; W504-R744 HydrophobicContact CG-CB 4.43Å; W504-R744 HydrophobicContact CG-CG 3.91Å; W504-R744 VanDerWaalsContact CZ2-CA 3.49Å; W504-R744 WeakPolarHBondContact CZ2-O 3.24Å; P662-R744 HydrophobicContact CB-CB 4.12Å; P662-R744 HydrophobicContact CB-CG 4.44Å; P662-R744 HydrophobicContact CG-CB 3.75Å; R744-V746 VanDerWaalsContact C-N 3.33Å
745	G	70.5	Confident	87.8	Confident	24 Å²	24	33.8 Å²	33.8	25%	0.247	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	5.2	167.8	0	0	0	0	0	113.9	W504 Q506 F743	W504-G745 VanDerWaalsContact CH2-CA 3.41Å; Q506-G745 VanDerWaalsContact NE2-CA 3.25Å; F743-G745 PolarHBondContact O-N 3.44Å
746	V	81	Confident	87.8	Confident	35 Å²	35	35.5 Å²	35.5	21%	0.212	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-126.1	152.2	174.9	-62.1	0	0	0	0	109.2	L661 P662 W716 S742 F743 R744	L661-V746 HydrophobicContact CD2-CG2 4.46Å; P662-V746 VanDerWaalsContact CD-CG2 3.48Å; P662-V746 HydrophobicContact CG-CG2 3.72Å; W716-V746 HydrophobicContact CH2-CG2 4.39Å; W716-V746 WeakPolarHBondContact CH2-O 3.34Å; W716-V746 HydrophobicContact CZ3-CG2 4.45Å; S742-V746 CarbonylContact C-O 3.56Å; S742-V746 VanDerWaalsContact CA-O 3.32Å; S742-V746 WeakPolarHBondContact CA-O 3.43Å; S742-V746 PolarHBondContact OG-O 3.01Å; F743-V746 PolarHBondContact N-O 3.18Å; F743-V746 WeakPolarHBondContact O-CG2 3.47Å; F743-V746 PolarHBondContact O-N 3.47Å; F743-V746 VanDerWaalsContact O-O 3.05Å; R744-V746 VanDerWaalsContact C-N 3.33Å
747	S	89.5	Confident	87.6	Confident	4 Å²	4	37.9 Å²	37.9	3%	0.028	23%	0.234	C	C	.	.			trans	-121.5	163.4	164.4	66.8	0	0	0	0	109.3	A741 N749 D750 Q751	A741-S747 WeakPolarHBondContact O-CB 3.42Å; S747-N749 PolarHBondContact O-N 3.27Å; S747-D750 WeakPolarHBondContact CB-OD2 3.29Å; S747-D750 PolarHBondContact N-OD2 2.82Å; S747-D750 WeakPolarHBondContact O-CB 3.44Å; S747-D750 PolarHBondContact O-N 3.41Å; S747-D750 PolarHBondContact OG-N 3.13Å; S747-D750 PolarHBondContact OG-OD2 3.35Å; S747-Q751 PolarHBondContact O-N 3.35Å
748	L	93	Very high	87.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-57.9	-42.4	173.2	178.9	60.9	0	0	0	110.9	W655 L661 W716 L718 D750 Q751 L752 V796 V797 L822	W655-L748 HydrophobicContact CH2-CD1 3.69Å; W655-L748 HydrophobicContact CZ3-CD1 4.14Å; L661-L748 HydrophobicContact CD1-CD1 3.79Å; W716-L748 HydrophobicContact CG-CB 4.42Å; L718-L748 HydrophobicContact CD2-CD2 4.01Å; L748-D750 PolarHBondContact O-N 3.37Å; L748-Q751 PolarHBondContact O-N 3.25Å; L748-L752 HydrophobicContact CD1-CD1 4.14Å; L748-L752 HydrophobicContact CD1-CD2 4.47Å; L748-L752 HydrophobicContact CD1-CG 4.18Å; L748-L752 HydrophobicContact CD2-CD1 4.49Å; L748-L752 HydrophobicContact CG-CD1 3.92Å; L748-L752 HydrophobicContact CG-CG 4.35Å; L748-L752 WeakPolarHBondContact O-CG 3.31Å; L748-L752 PolarHBondContact O-N 3.13Å; L748-V796 HydrophobicContact CD1-CB 4.12Å; L748-V796 HydrophobicContact CD1-CG2 4.13Å; L748-V796 WeakPolarHBondContact CD2-O 3.49Å; L748-V797 HydrophobicContact CD2-CG1 4.18Å; L748-L822 HydrophobicContact CD2-CD2 3.57Å; L748-L822 HydrophobicContact CG-CD2 4.36Å
749	N	94	Very high	87	Confident	11 Å²	11	41.5 Å²	41.5	6%	0.059	25%	0.25	C	S	.	.	H	α-helix	trans	-62.4	-22.5	175.4	-80.6	-22.7	0	0	0	113.3	G739 S740 S747 Q751 G821 L822 K823	G739-N749 WeakPolarHBondContact O-CB 3.48Å; G739-N749 PolarHBondContact O-N 2.82Å; G739-N749 PolarHBondContact O-ND2 2.94Å; S740-N749 PolarHBondContact N-ND2 2.99Å; S740-N749 PolarHBondContact OG-ND2 3.47Å; S747-N749 PolarHBondContact O-N 3.27Å; N749-Q751 VanDerWaalsContact C-N 3.34Å; N749-G821 PolarHBondContact ND2-O 3.02Å; N749-L822 VanDerWaalsContact OD1-CA 3.29Å; N749-L822 WeakPolarHBondContact OD1-CA 3.4Å; N749-K823 HydrophobicContact CB-CB 4.49Å; N749-K823 HydrophobicContact CB-CD 4.18Å; N749-K823 HydrophobicContact CB-CG 4.27Å; N749-K823 WeakPolarHBondContact O-CD 3.38Å; N749-K823 WeakPolarHBondContact O-CE 3.32Å; N749-K823 PolarHBondContact O-NZ 2.99Å; N749-K823 PolarHBondContact OD1-N 2.89Å
750	D	89	Confident	86.8	Confident	84 Å²	84	45.2 Å²	45.2	45%	0.449	26%	0.264	S	S	.	.	H	α-helix	trans	-71.5	-33.2	174.1	-64.3	-43	0	0	0	112	K656 S747 L748	K656-D750 WeakPolarHBondContact CD-O 3.43Å; K656-D750 PolarHBondContact NZ-O 2.97Å; S747-D750 WeakPolarHBondContact CB-OD2 3.29Å; S747-D750 PolarHBondContact N-OD2 2.82Å; S747-D750 WeakPolarHBondContact O-CB 3.44Å; S747-D750 PolarHBondContact O-N 3.41Å; S747-D750 PolarHBondContact OG-N 3.13Å; S747-D750 PolarHBondContact OG-OD2 3.35Å; L748-D750 PolarHBondContact O-N 3.37Å
751	Q	90.4	Very high	86.6	Confident	30 Å²	30	44.3 Å²	44.3	14%	0.14	25%	0.253	C	S	.	.	H	α-helix	trans	-84.9	-22.2	-176.5	-59	-57.1	-27.3	0	0	114.6	W655 K656 L661 S747 L748 N749	W655-Q751 HydrophobicContact CE3-CB 4.09Å; W655-Q751 HydrophobicContact CZ3-CB 3.81Å; K656-Q751 WeakPolarHBondContact CB-O 3.27Å; K656-Q751 WeakPolarHBondContact CG-O 3.43Å; K656-Q751 PolarHBondContact N-O 3.26Å; L661-Q751 HydrophobicContact CD2-CG 3.7Å; L661-Q751 HydrophobicContact CG-CG 4.46Å; S747-Q751 PolarHBondContact O-N 3.35Å; L748-Q751 PolarHBondContact O-N 3.25Å; N749-Q751 VanDerWaalsContact C-N 3.34Å
752	L	93.6	Very high	86.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-86.1	164.9	177.4	-60.5	-179.6	0	0	0	111.2	L653 P654 W655 K656 L748 L822 K823	L653-L752 HydrophobicContact CB-CD2 3.73Å; L653-L752 HydrophobicContact CD1-CD1 4.23Å; L653-L752 HydrophobicContact CD1-CD2 4.23Å; L653-L752 HydrophobicContact CD2-CD1 4.46Å; P654-L752 CarbonylContact O-C 3.58Å; P654-L752 WeakPolarHBondContact O-CA 3.24Å; W655-L752 HydrophobicContact CD2-CD2 3.82Å; W655-L752 HydrophobicContact CE3-CD2 3.85Å; W655-L752 HydrophobicContact CG-CD2 4.35Å; W655-L752 HydrophobicContact CH2-CD2 4.23Å; W655-L752 HydrophobicContact CZ2-CD2 4.23Å; W655-L752 HydrophobicContact CZ3-CD2 4.06Å; K656-L752 WeakPolarHBondContact CE-O 3.2Å; L748-L752 HydrophobicContact CD1-CD1 4.14Å; L748-L752 HydrophobicContact CD1-CD2 4.47Å; L748-L752 HydrophobicContact CD1-CG 4.18Å; L748-L752 HydrophobicContact CD2-CD1 4.49Å; L748-L752 HydrophobicContact CG-CD1 3.92Å; L748-L752 HydrophobicContact CG-CG 4.35Å; L748-L752 WeakPolarHBondContact O-CG 3.31Å; L748-L752 PolarHBondContact O-N 3.13Å; L752-L822 HydrophobicContact CD1-CB 4.49Å; L752-L822 HydrophobicContact CD1-CD1 4.36Å; L752-K823 WeakPolarHBondContact O-CE 2.93Å; L752-K823 PolarHBondContact O-NZ 3.2Å
753	E	92.9	Very high	87.5	Confident	74 Å²	74	42.8 Å²	42.8	35%	0.346	24%	0.239	S	C	.	.			trans	-95.4	144.3	164	-75.9	-64.9	-179.3	0	0	110.4	V634 P654 K656 G755 C824	V634-E753 HydrophobicContact CG1-CB 4.5Å; V634-E753 HydrophobicContact CG2-CB 3.87Å; V634-E753 HydrophobicContact CG2-CG 3.93Å; P654-E753 HydrophobicContact CB-CB 4.19Å; P654-E753 HydrophobicContact CG-CB 4.38Å; P654-E753 WeakPolarHBondContact CG-O 3.49Å; P654-E753 PolarHBondContact O-N 3.26Å; K656-E753 WeakPolarHBondContact CE-OE2 3.44Å; K656-E753 HydrophobicContact CG-CG 3.65Å; K656-E753 WeakPolarHBondContact CG-OE1 3.24Å; E753-G755 PolarHBondContact O-N 3.18Å; E753-C824 WeakPolarHBondContact O-CB 3.28Å
754	A	91	Very high	88.2	Confident	45 Å²	45	41.8 Å²	41.8	37%	0.372	24%	0.235	S	C	.	.			trans	-72.3	-23.2	177.8	0	0	0	0	0	112.1	K823 F827	A754-K823 HydrophobicContact CB-CD 4.21Å; A754-K823 HydrophobicContact CB-CG 4.35Å; A754-F827 WeakPolarHBondContact O-CB 3.29Å
755	G	89.5	Confident	89.2	Confident	25 Å²	25	35.8 Å²	35.8	26%	0.258	21%	0.212	S	C	.	.			trans	76.8	165.9	-170	0	0	0	0	0	113	E753	E753-G755 PolarHBondContact O-N 3.18Å
756	P	89.2	Confident	90.5	Very high	42 Å²	42	34.6 Å²	34.6	27%	0.273	20%	0.2	S	C	.	.			trans	-65.4	152.2	175.1	27.7	-35.7	0	0	0	111.9	L758 F827	P756-L758 HydrophobicContact CB-CD2 4.47Å; P756-L758 HydrophobicContact CG-CD2 4.1Å; P756-L758 HydrophobicContact CG-CG 4.42Å; P756-L758 PolarHBondContact O-N 3.34Å; P756-F827 HydrophobicContact CG-CD2 4.02Å; P756-F827 HydrophobicContact CG-CE2 3.81Å
757	A	84.7	Confident	91.3	Very high	85 Å²	85	33 Å²	33	70%	0.702	19%	0.191	S	C	*	.			trans	-73.7	98.4	173.2	0	0	0	0	0	110	Q759	A757-Q759 VanDerWaalsContact C-N 3.31Å
758	L	87.9	Confident	91.6	Very high	32 Å²	32	33.1 Å²	33.1	17%	0.168	19%	0.19	C	C	.	.			trans	-87.8	1	177.9	-60.1	-178.2	0	0	0	113.6	M635 P756 F827 L830 A831	M635-L758 HydrophobicContact SD-CD1 4.45Å; P756-L758 HydrophobicContact CB-CD2 4.47Å; P756-L758 HydrophobicContact CG-CD2 4.1Å; P756-L758 HydrophobicContact CG-CG 4.42Å; P756-L758 PolarHBondContact O-N 3.34Å; L758-F827 HydrophobicContact CD1-CD2 3.75Å; L758-F827 HydrophobicContact CD1-CE2 3.83Å; L758-F827 HydrophobicContact CG-CD2 4.13Å; L758-F827 HydrophobicContact CG-CE2 4.44Å; L758-L830 HydrophobicContact CB-CB 4.05Å; L758-L830 HydrophobicContact CB-CD1 4.35Å; L758-L830 HydrophobicContact CD1-CB 4.4Å; L758-A831 HydrophobicContact CD1-CB 3.74Å
759	Q	84.8	Confident	91.8	Very high	90 Å²	90	33.1 Å²	33.1	42%	0.421	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-68.3	135.7	-177.1	-58.2	133.8	20.4	0	0	109.4	A757 L830	A757-Q759 VanDerWaalsContact C-N 3.31Å; Q759-L830 HydrophobicContact CB-CD1 4.39Å; Q759-L830 HydrophobicContact CG-CD1 3.51Å
760	R	86.2	Confident	91.9	Very high	79 Å²	79	32.6 Å²	32.6	30%	0.298	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-75.9	154.6	171	-62.8	-51.9	-164.7	-179.9	8.5	110.7	L762 I765 R834 L852 D853	R760-L762 PolarHBondContact O-N 2.81Å; R760-L762 VanDerWaalsContact O-N 3.17Å; R760-I765 HydrophobicContact CB-CD1 4.06Å; R760-I765 HydrophobicContact CB-CG1 4.32Å; R760-R834 VanDerWaalsContact NH2-NH1 3.15Å; R760-L852 PolarHBondContact NE-O 2.78Å; R760-L852 PolarHBondContact NH2-O 3.01Å; R760-D853 IonicContact NH2-OD1 3.13Å
761	D	87.2	Confident	92.2	Very high	56 Å²	56	29.6 Å²	29.6	30%	0.299	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-61.4	118	177.6	-175.9	-81.9	0	0	0	110.1	V763 G764 I765	D761-V763 VanDerWaalsContact C-N 3.26Å; D761-V763 PolarHBondContact O-N 2.83Å; D761-V763 WeakPolarHBondContact OD1-CA 3.45Å; D761-V763 VanDerWaalsContact OD1-CB 3.23Å; D761-V763 WeakPolarHBondContact OD1-CB 3.34Å; D761-V763 PolarHBondContact OD1-N 3.21Å; D761-G764 WeakPolarHBondContact O-CA 3.1Å; D761-G764 PolarHBondContact O-N 3.22Å; D761-G764 VanDerWaalsContact O-N 3.07Å; D761-G764 PolarHBondContact OD1-N 3.25Å; D761-I765 PolarHBondContact O-N 3.46Å
762	L	92.9	Very high	92.3	Very high	32 Å²	32	29.9 Å²	29.9	17%	0.168	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-38.2	-177.2	176.8	150.1	0	0	0	111.7	R760 G764 I765 L766 Y856 L918 F955 P957	R760-L762 PolarHBondContact O-N 2.81Å; R760-L762 VanDerWaalsContact O-N 3.17Å; L762-G764 VanDerWaalsContact C-N 3.31Å; L762-I765 PolarHBondContact O-N 3.12Å; L762-L766 HydrophobicContact CD2-CD1 3.63Å; L762-L766 HydrophobicContact CD2-CG 4.33Å; L762-L766 WeakPolarHBondContact O-CG 3.46Å; L762-L766 PolarHBondContact O-N 2.82Å; L762-Y856 HydrophobicContact CB-CD2 4.2Å; L762-Y856 HydrophobicContact CB-CE2 3.86Å; L762-Y856 HydrophobicContact CD1-CD1 4.44Å; L762-Y856 HydrophobicContact CD1-CE1 3.97Å; L762-Y856 HydrophobicContact CD1-CE2 4.13Å; L762-L918 HydrophobicContact CD1-CB 4.25Å; L762-L918 HydrophobicContact CG-CB 4.34Å; L762-L918 HydrophobicContact CG-CD1 4.48Å; L762-F955 HydrophobicContact CD1-CZ 4.47Å; L762-F955 HydrophobicContact CD2-CE1 4.5Å; L762-F955 HydrophobicContact CD2-CZ 3.94Å; L762-P957 HydrophobicContact CD2-CB 4.19Å
763	V	94.4	Very high	92.2	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-66.7	-39.2	177.9	-179.4	0	0	0	0	109.6	I619 D761 L766 I767 P957 L958 M1058 F1088	I619-V763 HydrophobicContact CB-CG2 4.5Å; I619-V763 HydrophobicContact CD1-CG2 4.42Å; I619-V763 HydrophobicContact CG2-CB 4.14Å; I619-V763 HydrophobicContact CG2-CG2 3.73Å; D761-V763 VanDerWaalsContact C-N 3.26Å; D761-V763 PolarHBondContact O-N 2.83Å; D761-V763 WeakPolarHBondContact OD1-CA 3.45Å; D761-V763 VanDerWaalsContact OD1-CB 3.23Å; D761-V763 WeakPolarHBondContact OD1-CB 3.34Å; D761-V763 PolarHBondContact OD1-N 3.21Å; V763-L766 PolarHBondContact O-N 3.05Å; V763-I767 HydrophobicContact CG1-CD1 4.09Å; V763-I767 HydrophobicContact CG1-CG1 4.5Å; V763-I767 VanDerWaalsContact O-CG1 3.32Å; V763-I767 WeakPolarHBondContact O-CG1 3.34Å; V763-I767 PolarHBondContact O-N 3.04Å; V763-P957 HydrophobicContact CG2-CB 4.07Å; V763-L958 HydrophobicContact CG1-CD2 3.84Å; V763-M1058 HydrophobicContact CG1-CE 3.73Å; V763-M1058 HydrophobicContact CG1-SD 3.72Å; V763-F1088 HydrophobicContact CB-CE1 4.31Å; V763-F1088 HydrophobicContact CB-CZ 4.17Å; V763-F1088 HydrophobicContact CG1-CE1 3.81Å; V763-F1088 HydrophobicContact CG1-CZ 4.18Å
764	G	95.1	Very high	92.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-45.4	174.1	0	0	0	0	0	113.5	D761 L762 L766 I767 R768 Q1092	D761-G764 WeakPolarHBondContact O-CA 3.1Å; D761-G764 PolarHBondContact O-N 3.22Å; D761-G764 VanDerWaalsContact O-N 3.07Å; D761-G764 PolarHBondContact OD1-N 3.25Å; L762-G764 VanDerWaalsContact C-N 3.31Å; G764-L766 VanDerWaalsContact C-N 3.34Å; G764-I767 PolarHBondContact O-N 3.45Å; G764-R768 VanDerWaalsContact C-CZ 3.48Å; G764-R768 PolarHBondContact O-N 3.42Å; G764-R768 PolarHBondContact O-NH1 2.62Å; G764-Q1092 VanDerWaalsContact CA-OE1 3.27Å
765	I	97.2	Very high	92.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-45.4	175.4	-59.9	171.7	0	0	0	109.9	R760 D761 L762 I767 R768 F769 Y856 V861 L918	R760-I765 HydrophobicContact CB-CD1 4.06Å; R760-I765 HydrophobicContact CB-CG1 4.32Å; D761-I765 PolarHBondContact O-N 3.46Å; L762-I765 PolarHBondContact O-N 3.12Å; I765-I767 VanDerWaalsContact C-N 3.33Å; I765-I767 PolarHBondContact O-N 3.28Å; I765-R768 PolarHBondContact O-N 3.03Å; I765-R768 VanDerWaalsContact O-N 3.16Å; I765-F769 WeakPolarHBondContact O-CB 3.37Å; I765-F769 PolarHBondContact O-N 3.4Å; I765-Y856 HydrophobicContact CD1-CD2 4.08Å; I765-Y856 HydrophobicContact CD1-CG 4.33Å; I765-V861 HydrophobicContact CG2-CB 3.99Å; I765-L918 HydrophobicContact CB-CD1 4.06Å; I765-L918 HydrophobicContact CG2-CD1 3.67Å
766	L	97.3	Very high	92.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-38.7	176.3	-73.8	175.6	0	0	0	112.7	L762 V763 G764 R770 L918 L920 M929 P957 L958	L762-L766 HydrophobicContact CD2-CD1 3.63Å; L762-L766 HydrophobicContact CD2-CG 4.33Å; L762-L766 WeakPolarHBondContact O-CG 3.46Å; L762-L766 PolarHBondContact O-N 2.82Å; V763-L766 PolarHBondContact O-N 3.05Å; G764-L766 VanDerWaalsContact C-N 3.34Å; L766-R770 VanDerWaalsContact O-CG 3.28Å; L766-R770 WeakPolarHBondContact O-CG 3.28Å; L766-R770 PolarHBondContact O-N 3.02Å; L766-L918 HydrophobicContact CD2-CB 4.11Å; L766-L918 HydrophobicContact CD2-CD1 4.3Å; L766-L918 HydrophobicContact CG-CB 4.47Å; L766-L918 HydrophobicContact CG-CD1 4.37Å; L766-L920 HydrophobicContact CD1-CD1 3.94Å; L766-L920 HydrophobicContact CD2-CD1 4.16Å; L766-M929 HydrophobicContact CD2-CE 4.16Å; L766-P957 HydrophobicContact CD1-CB 4Å; L766-P957 HydrophobicContact CD1-CG 3.51Å; L766-L958 HydrophobicContact CB-CD1 4.34Å; L766-L958 HydrophobicContact CB-CD2 4.43Å
767	I	97.2	Very high	92.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-45.1	174.2	-70.6	169.4	0	0	0	110.3	V763 G764 I765 R770 L958 I1057 M1058 F1088 V1089 Q1092 L1093	V763-I767 HydrophobicContact CG1-CD1 4.09Å; V763-I767 HydrophobicContact CG1-CG1 4.5Å; V763-I767 VanDerWaalsContact O-CG1 3.32Å; V763-I767 WeakPolarHBondContact O-CG1 3.34Å; V763-I767 PolarHBondContact O-N 3.04Å; G764-I767 PolarHBondContact O-N 3.45Å; I765-I767 VanDerWaalsContact C-N 3.33Å; I765-I767 PolarHBondContact O-N 3.28Å; I767-R770 WeakPolarHBondContact O-CB 3.27Å; I767-R770 PolarHBondContact O-N 2.88Å; I767-R770 VanDerWaalsContact O-N 3.13Å; I767-L958 HydrophobicContact CD1-CD2 4.41Å; I767-L958 HydrophobicContact CG1-CD2 3.73Å; I767-I1057 HydrophobicContact CD1-CG2 4.34Å; I767-I1057 HydrophobicContact CG1-CG2 4.11Å; I767-I1057 HydrophobicContact CG2-CG2 4.25Å; I767-M1058 HydrophobicContact CD1-SD 4.21Å; I767-F1088 HydrophobicContact CD1-CE1 4.16Å; I767-V1089 HydrophobicContact CD1-CG2 4.33Å; I767-Q1092 HydrophobicContact CD1-CB 4.07Å; I767-L1093 HydrophobicContact CG2-CB 4.12Å; I767-L1093 HydrophobicContact CG2-CD1 3.52Å; I767-L1093 HydrophobicContact CG2-CG 4.43Å
768	R	96.5	Very high	93.1	Very high	6 Å²	6	26.5 Å²	26.5	2%	0.023	12%	0.115	C	C	.	.	H	α-helix	trans	-68.8	-34.1	179.5	-73.1	-174.5	-65.1	-79.5	1.3	113.3	G764 I765 R770 R771 D853 N854 S863 Q1092	G764-R768 VanDerWaalsContact C-CZ 3.48Å; G764-R768 PolarHBondContact O-N 3.42Å; G764-R768 PolarHBondContact O-NH1 2.62Å; I765-R768 PolarHBondContact O-N 3.03Å; I765-R768 VanDerWaalsContact O-N 3.16Å; R768-R770 PolarHBondContact O-N 2.78Å; R768-R771 WeakPolarHBondContact O-CB 3.15Å; R768-R771 WeakPolarHBondContact O-CG 3.45Å; R768-R771 PolarHBondContact O-N 2.73Å; R768-R771 VanDerWaalsContact O-N 3.14Å; R768-R771 PolarHBondContact O-NE 2.86Å; R768-R771 VanDerWaalsContact O-NE 3.14Å; R768-D853 PolarHBondContact NH2-O 3.23Å; R768-N854 WeakPolarHBondContact CD-OD1 3.49Å; R768-N854 PolarHBondContact NE-OD1 3.02Å; R768-S863 PolarHBondContact O-OG 3.13Å; R768-S863 VanDerWaalsContact O-OG 3.14Å; R768-Q1092 WeakPolarHBondContact CD-O 3.23Å; R768-Q1092 WeakPolarHBondContact CG-O 3.49Å; R768-Q1092 PolarHBondContact NH1-O 3.47Å
769	F	97.1	Very high	93.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.8	-28	171.9	-177	-128	0	0	0	112.3	I765 V861 T862 S863 T917 W922 M929 R1011	I765-F769 WeakPolarHBondContact O-CB 3.37Å; I765-F769 PolarHBondContact O-N 3.4Å; F769-V861 HydrophobicContact CB-CG1 3.71Å; F769-V861 HydrophobicContact CD1-CG1 3.83Å; F769-V861 HydrophobicContact CD2-CB 4.5Å; F769-V861 HydrophobicContact CD2-CG1 3.23Å; F769-V861 HydrophobicContact CE1-CG1 4.23Å; F769-V861 HydrophobicContact CE2-CG1 3.71Å; F769-V861 HydrophobicContact CG-CG1 3.3Å; F769-V861 HydrophobicContact CZ-CG1 4.18Å; F769-T862 WeakPolarHBondContact CD2-O 3.47Å; F769-T862 WeakPolarHBondContact CE2-O 3.44Å; F769-S863 WeakPolarHBondContact O-CB 3.33Å; F769-S863 PolarHBondContact O-OG 2.82Å; F769-T917 HydrophobicContact CD1-CG2 4.08Å; F769-T917 HydrophobicContact CE1-CG2 3.75Å; F769-T917 HydrophobicContact CZ-CG2 4.23Å; F769-W922 HydrophobicContact CE1-CD2 4.12Å; F769-W922 HydrophobicContact CE1-CE3 4.27Å; F769-W922 HydrophobicContact CE1-CG 4.39Å; F769-W922 HydrophobicContact CE2-CH2 4.28Å; F769-W922 HydrophobicContact CE2-CZ3 4.31Å; F769-W922 AromaticContact CZ-CD2 3.76Å; F769-W922 HydrophobicContact CZ-CD2 3.76Å; F769-W922 AromaticContact CZ-CE2 3.91Å; F769-W922 AromaticContact CZ-CE3 3.63Å; F769-W922 HydrophobicContact CZ-CE3 3.63Å; F769-W922 HydrophobicContact CZ-CG 4.49Å; F769-W922 AromaticContact CZ-CH2 3.8Å; F769-W922 HydrophobicContact CZ-CH2 3.8Å; F769-W922 AromaticContact CZ-CZ2 3.93Å; F769-W922 HydrophobicContact CZ-CZ2 3.93Å; F769-W922 AromaticContact CZ-CZ3 3.65Å; F769-W922 HydrophobicContact CZ-CZ3 3.65Å; F769-M929 HydrophobicContact CD1-CE 4.29Å; F769-M929 HydrophobicContact CD1-SD 4.31Å; F769-M929 HydrophobicContact CE1-CE 4.37Å; F769-M929 HydrophobicContact CE1-SD 4.42Å; F769-R1011 HydrophobicContact CD1-CG 4.1Å; F769-R1011 HydrophobicContact CE1-CG 3.92Å; F769-R1011 VanDerWaalsContact CZ-CD 3.42Å; F769-R1011 PolarHBondContact O-NH1 2.9Å
770	R	96.2	Very high	93.6	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.6	178.8	-71.6	-174.4	70.1	-156.5	0.7	113.8	L766 I767 R768 M929 Q1010 R1011 S1012 L1013 I1056 I1057	L766-R770 VanDerWaalsContact O-CG 3.28Å; L766-R770 WeakPolarHBondContact O-CG 3.28Å; L766-R770 PolarHBondContact O-N 3.02Å; I767-R770 WeakPolarHBondContact O-CB 3.27Å; I767-R770 PolarHBondContact O-N 2.88Å; I767-R770 VanDerWaalsContact O-N 3.13Å; R768-R770 PolarHBondContact O-N 2.78Å; R770-M929 HydrophobicContact CG-SD 4.04Å; R770-Q1010 PolarHBondContact NE-O 3.4Å; R770-Q1010 PolarHBondContact NH2-O 3.47Å; R770-R1011 WeakPolarHBondContact CA-O 3.41Å; R770-R1011 WeakPolarHBondContact CB-O 3.4Å; R770-R1011 HydrophobicContact CG-CG 4.1Å; R770-R1011 WeakPolarHBondContact CG-O 3.4Å; R770-R1011 PolarHBondContact NE-O 3.17Å; R770-S1012 CarbonylContact O-C 3.44Å; R770-S1012 WeakPolarHBondContact O-CA 3.43Å; R770-L1013 HydrophobicContact CB-CD1 4.26Å; R770-L1013 HydrophobicContact CB-CG 4.1Å; R770-L1013 WeakPolarHBondContact O-CB 3.12Å; R770-L1013 WeakPolarHBondContact O-CG 3.43Å; R770-L1013 PolarHBondContact O-N 2.69Å; R770-I1056 VanDerWaalsContact CZ-O 3.26Å; R770-I1056 PolarHBondContact NH1-O 3.24Å; R770-I1056 PolarHBondContact NH2-O 2.63Å; R770-I1057 PolarHBondContact NH1-O 3.36Å
771	R	94	Very high	93.9	Very high	21 Å²	21	21.5 Å²	21.5	8%	0.079	10%	0.095	C	C	.	.	S	Bend	trans	-60.6	-57.9	-170.6	-74.7	179.3	-63.8	174.4	4.8	113.8	R768 E850 S863 R1014 I1015 L1093 I1095	R768-R771 WeakPolarHBondContact O-CB 3.15Å; R768-R771 WeakPolarHBondContact O-CG 3.45Å; R768-R771 PolarHBondContact O-N 2.73Å; R768-R771 VanDerWaalsContact O-N 3.14Å; R768-R771 PolarHBondContact O-NE 2.86Å; R768-R771 VanDerWaalsContact O-NE 3.14Å; R771-E850 IonicContact NH2-OE1 2.86Å; R771-S863 PolarHBondContact N-OG 3.43Å; R771-R1014 PolarHBondContact O-N 3.45Å; R771-I1015 HydrophobicContact CB-CD1 3.68Å; R771-I1015 HydrophobicContact CG-CD1 3.7Å; R771-I1015 PolarHBondContact O-N 3.48Å; R771-L1093 WeakPolarHBondContact CD-O 3.49Å; R771-L1093 HydrophobicContact CG-CD1 4.17Å; R771-I1095 HydrophobicContact CG-CG2 4.47Å
772	Y	93.4	Very high	93.9	Very high	36 Å²	36	22.9 Å²	22.9	14%	0.141	10%	0.098	C	C	.	.	S	Bend	trans	-118.3	178.6	-163.9	-54.3	-72.9	0	0	0	112.9	S863 Y864 D865 R1011 S1012 I1015	Y772-S863 VanDerWaalsContact CD2-O 3.25Å; Y772-S863 WeakPolarHBondContact CD2-O 3.4Å; Y772-S863 PolarHBondContact N-OG 3.06Å; Y772-S863 VanDerWaalsContact N-OG 3.09Å; Y772-Y864 VanDerWaalsContact CB-O 3.25Å; Y772-Y864 WeakPolarHBondContact CB-O 3.4Å; Y772-D865 HydrophobicContact CD1-CB 3.9Å; Y772-D865 HydrophobicContact CG-CB 4.25Å; Y772-R1011 VanDerWaalsContact O-CZ 3.26Å; Y772-R1011 PolarHBondContact O-NH1 2.7Å; Y772-R1011 PolarHBondContact O-NH2 2.86Å; Y772-S1012 WeakPolarHBondContact O-CB 3.49Å; Y772-S1012 PolarHBondContact O-OG 3.06Å; Y772-I1015 HydrophobicContact CD1-CB 4.18Å; Y772-I1015 HydrophobicContact CE1-CB 4.03Å; Y772-I1015 HydrophobicContact CE1-CG2 3.88Å
773	R	90.7	Very high	93.9	Very high	147 Å²	147	21.7 Å²	21.7	56%	0.555	9%	0.092	S	C	*	.	S	Bend	trans	-71.6	-31.7	-170.6	-84.8	-178.4	67.7	168.3	-1.3	115.5	Y864 N894 R1011	R773-Y864 PolarHBondContact N-O 2.91Å; R773-N894 PolarHBondContact O-ND2 3.42Å; R773-R1011 PolarHBondContact O-NH2 3.23Å
774	F	92.4	Very high	93.8	Very high	36 Å²	36	23.3 Å²	23.3	16%	0.158	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	106.8	-176.2	-58.7	-66.4	0	0	0	110.1	S863 Y864 D865 S866 A867 N894 C895	F774-S863 CarbonylContact O-C 3.6Å; F774-S863 WeakPolarHBondContact O-CA 3.29Å; F774-S863 VanDerWaalsContact O-CB 3.31Å; F774-S863 WeakPolarHBondContact O-CB 3.43Å; F774-Y864 WeakPolarHBondContact CB-O 3.49Å; F774-Y864 PolarHBondContact N-O 3.17Å; F774-Y864 PolarHBondContact O-N 3.33Å; F774-D865 VanDerWaalsContact CD2-O 3.3Å; F774-D865 WeakPolarHBondContact CD2-O 2.87Å; F774-D865 WeakPolarHBondContact CE2-O 3.36Å; F774-S866 VanDerWaalsContact CD2-C 3.5Å; F774-A867 HydrophobicContact CD2-CB 4.43Å; F774-A867 HydrophobicContact CE2-CB 4.02Å; F774-A867 VanDerWaalsContact CE2-N 3.28Å; F774-A867 HydrophobicContact CZ-CB 4.08Å; F774-N894 VanDerWaalsContact CA-OD1 3.31Å; F774-N894 WeakPolarHBondContact CA-OD1 3.35Å; F774-C895 HydrophobicContact CD1-CB 3.66Å; F774-C895 HydrophobicContact CE1-CB 4.03Å
775	G	94.1	Very high	93.7	Very high	0 Å²	0	24 Å²	24	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	144.3	172.3	0	0	0	0	0	110.8	S893 N894	G775-S893 VanDerWaalsContact O-CA 3.29Å; G775-S893 WeakPolarHBondContact O-CA 3.42Å; G775-S893 WeakPolarHBondContact O-CB 3.24Å; G775-S893 PolarHBondContact O-OG 2.63Å; G775-N894 PolarHBondContact N-OD1 2.79Å
776	I	94.2	Very high	93.6	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.015	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.1	175.5	-58.2	166	0	0	0	107.4	T862 Y864 A870 L873 V874 W891	I776-T862 HydrophobicContact CB-CG2 4.12Å; I776-T862 HydrophobicContact CD1-CG2 4.42Å; I776-T862 PolarHBondContact N-O 3.13Å; I776-T862 PolarHBondContact O-N 3.11Å; I776-Y864 HydrophobicContact CD1-CD2 4.34Å; I776-A870 HydrophobicContact CD1-CB 3.97Å; I776-L873 HydrophobicContact CD1-CD2 4.04Å; I776-V874 HydrophobicContact CD1-CG2 4.21Å; I776-V874 HydrophobicContact CG2-CG2 4.3Å; I776-W891 HydrophobicContact CG2-CE3 4.03Å; I776-W891 HydrophobicContact CG2-CZ3 3.72Å
777	Q	94.3	Very high	93.6	Very high	12 Å²	12	24.7 Å²	24.7	6%	0.056	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.2	171.3	176.8	170.6	-9	0	0	109.5	L860 V861 W891 A892 L915 N916 T917 W922	Q777-L860 CarbonylContact C-O 3.54Å; Q777-L860 VanDerWaalsContact CA-O 3.26Å; Q777-L860 WeakPolarHBondContact CA-O 3.26Å; Q777-V861 HydrophobicContact CG-CG2 4.11Å; Q777-W891 CarbonylContact O-C 3.55Å; Q777-W891 VanDerWaalsContact O-CA 3.29Å; Q777-W891 WeakPolarHBondContact O-CA 3.41Å; Q777-A892 PolarHBondContact N-O 3.37Å; Q777-A892 PolarHBondContact O-N 2.79Å; Q777-L915 HydrophobicContact CB-CD2 4.48Å; Q777-L915 HydrophobicContact CG-CD2 4.3Å; Q777-L915 VanDerWaalsContact OE1-CD2 3.28Å; Q777-N916 PolarHBondContact NE2-O 3.34Å; Q777-T917 PolarHBondContact OE1-OG1 2.94Å; Q777-W922 HydrophobicContact CB-CZ3 4.39Å
778	A	93.3	Very high	93.6	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	161.7	173.6	0	0	0	0	0	110.5	L860 W891	A778-L860 HydrophobicContact CB-CB 4.49Å; A778-L860 PolarHBondContact N-O 2.99Å; A778-L860 PolarHBondContact O-N 3.05Å; A778-W891 HydrophobicContact CB-CD2 3.67Å; A778-W891 HydrophobicContact CB-CE3 3.67Å; A778-W891 HydrophobicContact CB-CG 4.28Å; A778-W891 HydrophobicContact CB-CH2 4.07Å; A778-W891 HydrophobicContact CB-CZ2 4.09Å; A778-W891 HydrophobicContact CB-CZ3 3.84Å
779	D	90.9	Very high	93.7	Very high	15 Å²	15	26.9 Å²	26.9	8%	0.08	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.6	-178.3	174.5	-71.4	0	0	0	110.2	Q781 D858 L888 T889 K890	D779-Q781 PolarHBondContact O-N 3.43Å; D779-D858 CarbonylContact C-O 3.53Å; D779-D858 WeakPolarHBondContact CA-O 3.49Å; D779-L888 CarbonylContact O-C 3.58Å; D779-L888 WeakPolarHBondContact O-CA 3.48Å; D779-T889 PolarHBondContact N-O 3.01Å; D779-T889 PolarHBondContact O-N 3.04Å; D779-T889 PolarHBondContact O-OG1 3.23Å; D779-K890 HydrophobicContact CB-CB 4.17Å; D779-K890 HydrophobicContact CB-CD 3.94Å; D779-K890 HydrophobicContact CB-CG 4.31Å; D779-K890 VanDerWaalsContact CG-NZ 3.26Å; D779-K890 IonicContact OD1-NZ 3.84Å; D779-K890 PolarHBondContact OD1-NZ 3.2Å; D779-K890 IonicContact OD2-NZ 3.93Å; D779-K890 PolarHBondContact OD2-NZ 3.48Å
780	V	91.7	Very high	93.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	109.2	172.3	-174.8	0	0	0	0	109.6	K782 M783 M855 D858 M881 F886 L888	V780-K782 PolarHBondContact O-N 3.44Å; V780-M783 HydrophobicContact CB-CB 4.14Å; V780-M783 HydrophobicContact CB-CG 4.23Å; V780-M783 HydrophobicContact CG1-CB 3.91Å; V780-M783 HydrophobicContact CG1-CG 3.9Å; V780-M783 PolarHBondContact O-N 2.72Å; V780-M855 HydrophobicContact CG2-SD 4.2Å; V780-D858 HydrophobicContact CB-CB 4.4Å; V780-D858 PolarHBondContact N-O 2.87Å; V780-M881 HydrophobicContact CG2-CE 4.06Å; V780-F886 HydrophobicContact CG1-CB 4.17Å; V780-F886 HydrophobicContact CG1-CD1 3.87Å; V780-F886 HydrophobicContact CG1-CG 4.43Å; V780-L888 HydrophobicContact CG2-CD2 3.77Å
781	Q	91.2	Very high	93.5	Very high	81 Å²	81	35.2 Å²	35.2	38%	0.379	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	115.4	-176.2	-171.2	-171.8	56.1	0	0	111.4	D779 M783 Q786 T887 T889	D779-Q781 PolarHBondContact O-N 3.43Å; Q781-M783 PolarHBondContact O-N 3.26Å; Q781-Q786 WeakPolarHBondContact O-CG 3.49Å; Q781-Q786 PolarHBondContact O-NE2 3.1Å; Q781-T887 WeakPolarHBondContact CB-O 3.12Å; Q781-T887 PolarHBondContact N-O 3.05Å; Q781-T889 HydrophobicContact CB-CG2 3.79Å; Q781-T889 HydrophobicContact CG-CG2 4.31Å
782	K	88.7	Confident	93.4	Very high	85 Å²	85	39.7 Å²	39.7	37%	0.37	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	46.3	175.5	-59.8	178.5	-176.8	174.4	0	111.3	E695 W701 V780 F784 M785 Q786	E695-K782 IonicContact OE2-NZ 3.66Å; E695-K782 PolarHBondContact OE2-NZ 3.05Å; W701-K782 HydrophobicContact CH2-CD 3.28Å; W701-K782 HydrophobicContact CZ2-CD 3.64Å; W701-K782 HydrophobicContact CZ3-CD 4.09Å; V780-K782 PolarHBondContact O-N 3.44Å; K782-F784 VanDerWaalsContact C-N 3.31Å; K782-F784 PolarHBondContact O-N 3.01Å; K782-M785 HydrophobicContact CB-CB 4.15Å; K782-M785 HydrophobicContact CB-CG 4.25Å; K782-M785 WeakPolarHBondContact O-CA 3.36Å; K782-M785 WeakPolarHBondContact O-CB 3.29Å; K782-M785 PolarHBondContact O-N 3.38Å; K782-Q786 PolarHBondContact O-N 2.83Å
783	M	92.5	Very high	93.4	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.034	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-36.8	-50.2	-171.7	-168.4	-166.7	-162.3	0	0	115.6	V780 Q781 M785 Q786 A829 L830 V833 M855 I857 D858	V780-M783 HydrophobicContact CB-CB 4.14Å; V780-M783 HydrophobicContact CB-CG 4.23Å; V780-M783 HydrophobicContact CG1-CB 3.91Å; V780-M783 HydrophobicContact CG1-CG 3.9Å; V780-M783 PolarHBondContact O-N 2.72Å; Q781-M783 PolarHBondContact O-N 3.26Å; M783-M785 VanDerWaalsContact C-N 3.33Å; M783-M785 PolarHBondContact O-N 3.07Å; M783-Q786 WeakPolarHBondContact O-CB 3.42Å; M783-Q786 PolarHBondContact O-N 3.13Å; M783-A829 HydrophobicContact CE-CB 4.05Å; M783-A829 HydrophobicContact CG-CB 4.2Å; M783-A829 HydrophobicContact SD-CB 3.77Å; M783-L830 HydrophobicContact CE-CD2 4.48Å; M783-V833 HydrophobicContact CE-CB 4.07Å; M783-V833 HydrophobicContact CE-CG2 3.43Å; M783-V833 VanDerWaalsContact CE-CG2 3.43Å; M783-M855 HydrophobicContact CE-CE 3.79Å; M783-M855 HydrophobicContact CE-SD 4.42Å; M783-I857 VanDerWaalsContact CE-O 3.24Å; M783-I857 WeakPolarHBondContact CE-O 3.41Å; M783-I857 HydrophobicContact SD-CG2 4.3Å; M783-I857 VanDerWaalsContact SD-O 3.37Å; M783-D858 HydrophobicContact CB-CB 4.34Å; M783-D858 HydrophobicContact SD-CB 4.42Å
784	F	92.5	Very high	93.6	Very high	37 Å²	37	32.9 Å²	32.9	16%	0.162	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-60.6	-40.5	179.1	-57.3	-52.7	0	0	0	113.1	K782 Q786 I787 V818 F820 S825 A829	K782-F784 VanDerWaalsContact C-N 3.31Å; K782-F784 PolarHBondContact O-N 3.01Å; F784-Q786 PolarHBondContact O-N 2.9Å; F784-I787 PolarHBondContact O-N 2.83Å; F784-V818 CarbonylContact C-O 3.54Å; F784-V818 VanDerWaalsContact CB-O 3.28Å; F784-V818 WeakPolarHBondContact CB-O 3.43Å; F784-V818 VanDerWaalsContact O-O 3.14Å; F784-F820 HydrophobicContact CD2-CD2 4.18Å; F784-F820 AromaticContact CE2-CD2 3.78Å; F784-F820 HydrophobicContact CE2-CD2 3.78Å; F784-F820 HydrophobicContact CE2-CE2 4.43Å; F784-S825 VanDerWaalsContact CE1-O 3.31Å; F784-S825 WeakPolarHBondContact CE1-O 3.23Å; F784-A829 HydrophobicContact CD1-CB 3.58Å; F784-A829 HydrophobicContact CE1-CB 3.53Å
785	M	93	Very high	93.7	Very high	15 Å²	15	32.6 Å²	32.6	7%	0.074	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-70.7	-14.2	-178.7	-59.9	-66.8	97.4	0	0	112.8	Y696 W701 K782 M783 I787 F815 R817 V818 C819	Y696-M785 HydrophobicContact CD1-SD 4.34Å; Y696-M785 HydrophobicContact CE1-SD 4.04Å; W701-M785 HydrophobicContact CB-SD 3.98Å; W701-M785 HydrophobicContact CD2-CB 3.86Å; W701-M785 HydrophobicContact CD2-CG 3.81Å; W701-M785 HydrophobicContact CD2-SD 3.79Å; W701-M785 HydrophobicContact CE3-CB 4.43Å; W701-M785 HydrophobicContact CE3-CG 3.89Å; W701-M785 HydrophobicContact CE3-SD 3.76Å; W701-M785 HydrophobicContact CG-CB 4.09Å; W701-M785 HydrophobicContact CG-CG 4.28Å; W701-M785 HydrophobicContact CG-SD 3.89Å; W701-M785 HydrophobicContact CZ2-CB 4.39Å; W701-M785 HydrophobicContact CZ3-CG 4.4Å; K782-M785 HydrophobicContact CB-CB 4.15Å; K782-M785 HydrophobicContact CB-CG 4.25Å; K782-M785 WeakPolarHBondContact O-CA 3.36Å; K782-M785 WeakPolarHBondContact O-CB 3.29Å; K782-M785 PolarHBondContact O-N 3.38Å; M783-M785 VanDerWaalsContact C-N 3.33Å; M783-M785 PolarHBondContact O-N 3.07Å; M785-I787 VanDerWaalsContact C-N 3.29Å; M785-F815 HydrophobicContact CE-CE1 4.28Å; M785-F815 HydrophobicContact SD-CE1 4.34Å; M785-R817 HydrophobicContact CE-CB 4.41Å; M785-R817 WeakPolarHBondContact O-CD 3.48Å; M785-R817 VanDerWaalsContact O-CG 3.23Å; M785-R817 WeakPolarHBondContact O-CG 3.3Å; M785-R817 PolarHBondContact O-NE 3.49Å; M785-R817 HydrophobicContact SD-CB 4.45Å; M785-V818 WeakPolarHBondContact CE-O 3.29Å; M785-C819 HydrophobicContact CE-CB 4.36Å
786	Q	94.7	Very high	93.6	Very high	15 Å²	15	32.6 Å²	32.6	7%	0.07	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-78.4	-15.7	176	-58.4	-64.1	-5.2	0	0	112.6	R648 Q781 K782 M783 F784 G885 F886	R648-Q786 VanDerWaalsContact NH2-OE1 3.15Å; Q781-Q786 WeakPolarHBondContact O-CG 3.49Å; Q781-Q786 PolarHBondContact O-NE2 3.1Å; K782-Q786 PolarHBondContact O-N 2.83Å; M783-Q786 WeakPolarHBondContact O-CB 3.42Å; M783-Q786 PolarHBondContact O-N 3.13Å; F784-Q786 PolarHBondContact O-N 2.9Å; Q786-G885 PolarHBondContact OE1-O 2.76Å; Q786-G885 VanDerWaalsContact OE1-O 3.12Å; Q786-F886 HydrophobicContact CB-CD1 3.7Å; Q786-F886 HydrophobicContact CB-CE1 3.81Å; Q786-F886 HydrophobicContact CG-CD1 4.13Å
787	I	97.6	Very high	93.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-102.8	126.3	-175.3	-58.8	166.9	0	0	0	109.5	V651 F784 M785 R817 V818 A829 V832 F886	V651-I787 HydrophobicContact CG1-CG2 3.97Å; V651-I787 HydrophobicContact CG2-CG2 3.78Å; F784-I787 PolarHBondContact O-N 2.83Å; M785-I787 VanDerWaalsContact C-N 3.29Å; I787-R817 CarbonylContact O-C 3.58Å; I787-R817 WeakPolarHBondContact O-CA 3.46Å; I787-R817 WeakPolarHBondContact O-CB 3.47Å; I787-R817 WeakPolarHBondContact O-CD 3.34Å; I787-V818 HydrophobicContact CB-CG2 4.11Å; I787-V818 HydrophobicContact CG2-CG2 3.79Å; I787-V818 PolarHBondContact O-N 3.36Å; I787-A829 VanDerWaalsContact CD1-CA 3.48Å; I787-A829 HydrophobicContact CD1-CB 4.01Å; I787-V832 HydrophobicContact CD1-CB 3.86Å; I787-V832 HydrophobicContact CD1-CG1 4.22Å; I787-V832 HydrophobicContact CD1-CG2 4Å; I787-V832 HydrophobicContact CG1-CB 4.39Å; I787-V832 HydrophobicContact CG1-CG1 4.24Å; I787-V832 HydrophobicContact CG1-CG2 4.44Å; I787-V832 HydrophobicContact CG2-CG2 4.07Å; I787-F886 HydrophobicContact CD1-CE1 4.27Å; I787-F886 HydrophobicContact CD1-CZ 4.29Å; I787-F886 HydrophobicContact CG1-CE1 3.92Å; I787-F886 HydrophobicContact CG1-CZ 3.93Å
788	R	98	Very high	93.8	Very high	52 Å²	52	32.1 Å²	32.1	20%	0.196	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	143.2	178.9	-48.7	-162.2	172.6	162.9	6.3	110.9	D645 E647 R648 Y649 T650 V651 K816 R817	D645-R788 IonicContact OD2-CZ 2.71Å; D645-R788 IonicContact OD2-NH1 3.25Å; D645-R788 PolarHBondContact OD2-NH1 2.92Å; D645-R788 IonicContact OD2-NH2 2.92Å; D645-R788 PolarHBondContact OD2-NH2 2.92Å; E647-R788 IonicContact OE1-NH2 2.89Å; E647-R788 PolarHBondContact OE1-NH2 2.92Å; E647-R788 VanDerWaalsContact OE1-NH2 3.13Å; E647-R788 IonicContact OE2-NH2 3.26Å; E647-R788 PolarHBondContact OE2-NH2 2.78Å; R648-R788 HydrophobicContact CB-CG 4.09Å; Y649-R788 WeakPolarHBondContact O-CB 3.49Å; Y649-R788 PolarHBondContact O-N 2.98Å; T650-R788 WeakPolarHBondContact CA-O 3.48Å; T650-R788 HydrophobicContact CG2-CB 4.24Å; T650-R788 WeakPolarHBondContact OG1-CB 3.46Å; V651-R788 PolarHBondContact N-O 3.03Å; R788-K816 WeakPolarHBondContact CA-O 3.22Å; R788-R817 VanDerWaalsContact CG-NH1 3.31Å
789	L	97.8	Very high	93.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.3	170.9	-168.7	65.3	0	0	0	109.4	L653 D793 R794 V797 K816	L653-L789 HydrophobicContact CD2-CD1 3.76Å; L653-L789 HydrophobicContact CG-CD1 3.92Å; L789-D793 HydrophobicContact CD1-CB 4.27Å; L789-D793 HydrophobicContact CD2-CB 4.31Å; L789-D793 HydrophobicContact CG-CB 4.16Å; L789-R794 HydrophobicContact CD2-CG 4.37Å; L789-R794 PolarHBondContact O-NE 3.05Å; L789-R794 PolarHBondContact O-NH2 2.68Å; L789-V797 HydrophobicContact CD2-CG1 4.44Å; L789-V797 HydrophobicContact CD2-CG2 3.53Å; L789-K816 PolarHBondContact N-O 2.95Å
790	H	96.5	Very high	94.1	Very high	51 Å²	51	31.7 Å²	31.7	24%	0.236	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-57.3	141.5	175.9	-167.1	-85.9	0	0	0	110.9	T650 V651 K652 E792 D793 R794	T650-H790 HydrophobicContact CG2-CB 4.12Å; V651-H790 WeakPolarHBondContact O-CB 3.45Å; V651-H790 PolarHBondContact O-N 3.35Å; K652-H790 HydrophobicContact CG-CB 3.68Å; H790-E792 VanDerWaalsContact C-N 3.33Å; H790-E792 VanDerWaalsContact CE1-CD 3.48Å; H790-E792 IonicContact CE1-OE1 2.91Å; H790-E792 IonicContact CE1-OE2 3.46Å; H790-E792 PolarHBondContact ND1-N 2.94Å; H790-E792 IonicContact ND1-OE2 2.63Å; H790-E792 PolarHBondContact O-N 2.87Å; H790-D793 PolarHBondContact O-N 3.5Å; H790-R794 WeakPolarHBondContact O-CG 3.27Å
791	E	93.2	Very high	94.3	Very high	124 Å²	124	32.6 Å²	32.6	58%	0.579	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-57.2	-43	-170.9	-171.6	171.8	-180	0	0	113.2	D793 R794	E791-D793 PolarHBondContact O-N 3.43Å; E791-R794 WeakPolarHBondContact O-CB 3.32Å; E791-R794 PolarHBondContact O-N 2.94Å
792	E	91.1	Very high	94.5	Very high	115 Å²	115	29.9 Å²	29.9	54%	0.537	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-53.7	-25.9	176.4	-67.8	170.3	-177.6	0	0	114.2	K652 K659 H790	K652-E792 IonicContact NZ-OE1 2.79Å; K652-E792 IonicContact NZ-OE2 3.34Å; K652-E792 PolarHBondContact NZ-OE2 2.91Å; K659-E792 PolarHBondContact NZ-O 3.33Å; H790-E792 VanDerWaalsContact C-N 3.33Å; H790-E792 VanDerWaalsContact CE1-CD 3.48Å; H790-E792 IonicContact CE1-OE1 2.91Å; H790-E792 IonicContact CE1-OE2 3.46Å; H790-E792 PolarHBondContact ND1-N 2.94Å; H790-E792 IonicContact ND1-OE2 2.63Å; H790-E792 PolarHBondContact O-N 2.87Å
793	D	94	Very high	94.6	Very high	4 Å²	4	28 Å²	28	2%	0.021	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-101.6	-1.7	-177.3	-68.2	-32.5	0	0	0	113.2	K652 L653 W655 K659 L789 H790 E791 D795 V796	K652-D793 WeakPolarHBondContact CA-OD2 3.15Å; K652-D793 WeakPolarHBondContact CB-OD2 3.4Å; L653-D793 HydrophobicContact CB-CB 4.42Å; L653-D793 HydrophobicContact CD1-CB 3.96Å; L653-D793 HydrophobicContact CG-CB 3.88Å; L653-D793 PolarHBondContact N-OD2 3.44Å; W655-D793 PolarHBondContact NE1-OD1 3.23Å; K659-D793 WeakPolarHBondContact CE-OD1 3.14Å; K659-D793 IonicContact NZ-OD1 2.67Å; K659-D793 PolarHBondContact NZ-OD1 3.11Å; L789-D793 HydrophobicContact CD1-CB 4.27Å; L789-D793 HydrophobicContact CD2-CB 4.31Å; L789-D793 HydrophobicContact CG-CB 4.16Å; H790-D793 PolarHBondContact O-N 3.5Å; E791-D793 PolarHBondContact O-N 3.43Å; D793-D795 VanDerWaalsContact C-N 3.34Å; D793-D795 PolarHBondContact O-N 3.19Å; D793-V796 WeakPolarHBondContact O-CG2 3.37Å
794	R	94.5	Very high	94.5	Very high	37 Å²	37	28.7 Å²	28.7	14%	0.14	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-71.3	-29.9	-177	-61.9	-173.6	-172.4	164	9.5	112.7	E703 L789 H790 E791 V796 V797 R814 F815	E703-R794 IonicContact OE1-NH1 2.87Å; E703-R794 IonicContact OE2-NH1 3.2Å; L789-R794 HydrophobicContact CD2-CG 4.37Å; L789-R794 PolarHBondContact O-NE 3.05Å; L789-R794 PolarHBondContact O-NH2 2.68Å; H790-R794 WeakPolarHBondContact O-CG 3.27Å; E791-R794 WeakPolarHBondContact O-CB 3.32Å; E791-R794 PolarHBondContact O-N 2.94Å; R794-V796 VanDerWaalsContact C-N 3.27Å; R794-V796 PolarHBondContact O-N 3.37Å; R794-V797 WeakPolarHBondContact O-CG2 3.49Å; R794-V797 PolarHBondContact O-N 2.97Å; R794-R814 HydrophobicContact CB-CG 4.3Å; R794-R814 WeakPolarHBondContact O-CB 3.4Å; R794-F815 VanDerWaalsContact CG-O 3.27Å; R794-F815 WeakPolarHBondContact CG-O 3.3Å
795	D	93.2	Very high	94.5	Very high	29 Å²	29	30.9 Å²	30.9	16%	0.155	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-74.7	-14.9	-176.7	-75	-37.3	0	0	0	114.2	E715 W716 D793 V797 R798 R814	E715-D795 WeakPolarHBondContact CA-O 3.48Å; W716-D795 PolarHBondContact N-O 2.93Å; D793-D795 VanDerWaalsContact C-N 3.34Å; D793-D795 PolarHBondContact O-N 3.19Å; D795-V797 VanDerWaalsContact C-N 3.33Å; D795-R798 WeakPolarHBondContact O-CD 3.4Å; D795-R798 WeakPolarHBondContact O-CG 3.41Å; D795-R798 IonicContact OD1-CZ 3.81Å; D795-R798 VanDerWaalsContact OD1-CZ 3.23Å; D795-R798 IonicContact OD1-NE 3.87Å; D795-R798 PolarHBondContact OD1-NE 3.24Å; D795-R798 IonicContact OD1-NH2 3.85Å; D795-R798 PolarHBondContact OD1-NH2 2.78Å; D795-R798 IonicContact OD2-NH2 2.91Å; D795-R814 VanDerWaalsContact CG-NH1 3.27Å; D795-R814 VanDerWaalsContact OD1-CD 3.29Å; D795-R814 WeakPolarHBondContact OD1-CD 3.42Å; D795-R814 IonicContact OD1-CZ 2.63Å; D795-R814 IonicContact OD1-NE 3.42Å; D795-R814 IonicContact OD1-NH1 3.29Å; D795-R814 PolarHBondContact OD1-NH1 3.46Å; D795-R814 IonicContact OD2-NH1 2.87Å; D795-R814 PolarHBondContact OD2-NH1 3.46Å; D795-R814 VanDerWaalsContact OD2-NH1 3.12Å
796	V	93.6	Very high	94.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-87.5	-3.5	172	-57.3	0	0	0	0	113.6	L653 W655 L661 E714 W716 L748 D793 R794	L653-V796 HydrophobicContact CD1-CG2 3.63Å; W655-V796 HydrophobicContact CH2-CB 4.11Å; W655-V796 HydrophobicContact CH2-CG1 3.8Å; W655-V796 HydrophobicContact CH2-CG2 3.86Å; W655-V796 HydrophobicContact CZ2-CB 4.28Å; W655-V796 HydrophobicContact CZ2-CG1 3.98Å; W655-V796 HydrophobicContact CZ2-CG2 3.62Å; L661-V796 HydrophobicContact CD1-CB 4.15Å; L661-V796 HydrophobicContact CD1-CG1 3.83Å; E714-V796 WeakPolarHBondContact O-CG1 3.35Å; W716-V796 HydrophobicContact CB-CB 4.11Å; W716-V796 WeakPolarHBondContact CB-O 3.46Å; W716-V796 CarbonylContact O-C 3.51Å; W716-V796 VanDerWaalsContact O-C 3.3Å; L748-V796 HydrophobicContact CD1-CB 4.12Å; L748-V796 HydrophobicContact CD1-CG2 4.13Å; L748-V796 WeakPolarHBondContact CD2-O 3.49Å; D793-V796 WeakPolarHBondContact O-CG2 3.37Å; R794-V796 VanDerWaalsContact C-N 3.27Å; R794-V796 PolarHBondContact O-N 3.37Å
797	V	95.5	Very high	94	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-119	40.2	177.1	-67.5	0	0	0	0	110.6	L718 L748 L789 R794 D795 F815 L822	L718-V797 HydrophobicContact CD1-CB 4.09Å; L718-V797 HydrophobicContact CD1-CG1 4.18Å; L748-V797 HydrophobicContact CD2-CG1 4.18Å; L789-V797 HydrophobicContact CD2-CG1 4.44Å; L789-V797 HydrophobicContact CD2-CG2 3.53Å; R794-V797 WeakPolarHBondContact O-CG2 3.49Å; R794-V797 PolarHBondContact O-N 2.97Å; D795-V797 VanDerWaalsContact C-N 3.33Å; V797-F815 HydrophobicContact CB-CB 4.19Å; V797-F815 HydrophobicContact CB-CD2 4.22Å; V797-F815 HydrophobicContact CG2-CB 3.7Å; V797-F815 WeakPolarHBondContact O-CD2 3.4Å; V797-F815 PolarHBondContact O-N 3.09Å; V797-L822 HydrophobicContact CG1-CD1 4.01Å
798	R	95.4	Very high	93.7	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.019	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	159.4	173	-70.2	169.9	175.7	-162.2	-1.2	110.9	A705 E715 W716 Y717 L718 D795 I812 Y813 R814	A705-R798 HydrophobicContact CB-CG 4.37Å; E715-R798 IonicContact OE2-CZ 3.77Å; E715-R798 IonicContact OE2-NH1 3.84Å; E715-R798 PolarHBondContact OE2-NH1 3.32Å; W716-R798 WeakPolarHBondContact O-CB 3.21Å; W716-R798 PolarHBondContact O-N 3.37Å; Y717-R798 CarbonylContact C-O 3.56Å; Y717-R798 WeakPolarHBondContact CA-O 3.3Å; Y717-R798 HydrophobicContact CD1-CB 3.73Å; Y717-R798 HydrophobicContact CE1-CB 3.97Å; Y717-R798 HydrophobicContact CG-CB 4.21Å; Y717-R798 PolarHBondContact OH-NH1 2.71Å; Y717-R798 VanDerWaalsContact OH-NH1 3.13Å; L718-R798 PolarHBondContact N-O 2.93Å; D795-R798 WeakPolarHBondContact O-CD 3.4Å; D795-R798 WeakPolarHBondContact O-CG 3.41Å; D795-R798 IonicContact OD1-CZ 3.81Å; D795-R798 VanDerWaalsContact OD1-CZ 3.23Å; D795-R798 IonicContact OD1-NE 3.87Å; D795-R798 PolarHBondContact OD1-NE 3.24Å; D795-R798 IonicContact OD1-NH2 3.85Å; D795-R798 PolarHBondContact OD1-NH2 2.78Å; D795-R798 IonicContact OD2-NH2 2.91Å; R798-I812 HydrophobicContact CB-CG2 4.15Å; R798-I812 HydrophobicContact CG-CG2 4.18Å; R798-Y813 CarbonylContact C-O 3.6Å; R798-Y813 WeakPolarHBondContact CA-O 3.15Å; R798-R814 HydrophobicContact CG-CB 3.9Å
799	F	96.1	Very high	93.3	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.009	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	163.5	168.1	67	-83.9	0	0	0	110.5	M693 V702 F737 W801 Y813 F815	M693-F799 HydrophobicContact CE-CD2 4.25Å; M693-F799 HydrophobicContact CE-CE2 4.03Å; M693-F799 HydrophobicContact SD-CE2 4.15Å; V702-F799 HydrophobicContact CB-CE1 4.1Å; V702-F799 HydrophobicContact CB-CZ 4.23Å; V702-F799 HydrophobicContact CG1-CE1 3.66Å; V702-F799 HydrophobicContact CG1-CZ 3.93Å; V702-F799 HydrophobicContact CG2-CZ 4.2Å; F737-F799 HydrophobicContact CD1-CB 4.22Å; F737-F799 HydrophobicContact CD1-CG 4.32Å; F737-F799 HydrophobicContact CE1-CB 3.9Å; F737-F799 AromaticContact CE1-CD1 3.82Å; F737-F799 HydrophobicContact CE1-CD1 3.82Å; F737-F799 AromaticContact CE1-CD2 3.78Å; F737-F799 HydrophobicContact CE1-CD2 3.78Å; F737-F799 HydrophobicContact CE1-CE1 4.24Å; F737-F799 HydrophobicContact CE1-CE2 4.2Å; F737-F799 AromaticContact CE1-CG 3.56Å; F737-F799 HydrophobicContact CE1-CG 3.56Å; F737-F799 HydrophobicContact CE1-CZ 4.41Å; F737-F799 HydrophobicContact CZ-CD1 4.48Å; F737-F799 HydrophobicContact CZ-CD2 4.39Å; F737-F799 HydrophobicContact CZ-CE1 4.47Å; F737-F799 HydrophobicContact CZ-CE2 4.38Å; F737-F799 HydrophobicContact CZ-CG 4.44Å; F737-F799 HydrophobicContact CZ-CZ 4.41Å; F799-W801 HydrophobicContact CD2-CB 4.3Å; F799-W801 HydrophobicContact CE2-CB 4.06Å; F799-Y813 VanDerWaalsContact CE1-CB 3.41Å; F799-Y813 HydrophobicContact CE1-CG 4.48Å; F799-Y813 HydrophobicContact CE2-CD2 4.29Å; F799-Y813 HydrophobicContact CE2-CG 4.27Å; F799-Y813 HydrophobicContact CZ-CD2 4.44Å; F799-Y813 AromaticContact CZ-CG 3.98Å; F799-Y813 HydrophobicContact CZ-CG 3.98Å; F799-Y813 PolarHBondContact N-O 2.88Å; F799-Y813 PolarHBondContact O-N 3.33Å; F799-F815 HydrophobicContact CD1-CD2 4.22Å; F799-F815 AromaticContact CD1-CE2 3.87Å; F799-F815 HydrophobicContact CD1-CE2 3.87Å; F799-F815 HydrophobicContact CE1-CD2 4.26Å; F799-F815 AromaticContact CE1-CE2 3.92Å; F799-F815 HydrophobicContact CE1-CE2 3.92Å; F799-F815 HydrophobicContact CE1-CZ 4.3Å
800	L	95.9	Very high	93.1	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.2	-177.5	-58.9	-178.8	0	0	0	110.7	L665 A668 Q669 L672 Y717 H720 P810 I812	L665-L800 HydrophobicContact CD1-CD1 3.86Å; L665-L800 HydrophobicContact CD1-CD2 3.72Å; L665-L800 HydrophobicContact CD1-CG 4.23Å; A668-L800 HydrophobicContact CB-CD1 4.07Å; A668-L800 HydrophobicContact CB-CG 4.33Å; Q669-L800 HydrophobicContact CB-CD1 3.76Å; L672-L800 HydrophobicContact CD2-CB 3.8Å; Y717-L800 HydrophobicContact CD1-CD2 4.09Å; Y717-L800 HydrophobicContact CD1-CG 4.49Å; Y717-L800 HydrophobicContact CE1-CD2 4.36Å; H720-L800 PolarHBondContact CE1-O 2.82Å; L800-P810 HydrophobicContact CB-CB 3.91Å; L800-P810 HydrophobicContact CD2-CB 4.38Å; L800-I812 HydrophobicContact CD2-CB 4.42Å; L800-I812 HydrophobicContact CD2-CG1 3.68Å
801	W	95.9	Very high	93	Very high	20 Å²	20	51.2 Å²	51.2	8%	0.076	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	142.5	174.9	-176.3	59.4	0	0	0	112	M693 K694 V697 F799 N803 T811 Y813	M693-W801 HydrophobicContact CB-CD2 4.35Å; M693-W801 HydrophobicContact CB-CH2 4.41Å; M693-W801 HydrophobicContact CB-CZ2 3.7Å; K694-W801 HydrophobicContact CG-CH2 4.1Å; K694-W801 HydrophobicContact CG-CZ2 4.47Å; V697-W801 HydrophobicContact CG2-CE3 4.44Å; V697-W801 HydrophobicContact CG2-CZ3 3.89Å; F799-W801 HydrophobicContact CD2-CB 4.3Å; F799-W801 HydrophobicContact CE2-CB 4.06Å; W801-N803 HydrophobicContact CH2-CB 4.4Å; W801-N803 HydrophobicContact CZ2-CB 3.98Å; W801-T811 PolarHBondContact N-O 3.35Å; W801-T811 PolarHBondContact O-N 3.47Å; W801-Y813 HydrophobicContact CB-CD2 4.12Å; W801-Y813 HydrophobicContact CB-CE2 4.27Å; W801-Y813 HydrophobicContact CE3-CD2 4.34Å; W801-Y813 AromaticContact CE3-CE2 3.63Å; W801-Y813 HydrophobicContact CE3-CE2 3.63Å; W801-Y813 HydrophobicContact CZ3-CE2 4.42Å
802	R	94.1	Very high	93	Very high	23 Å²	23	47.6 Å²	47.6	9%	0.087	23%	0.231	C	C	.	.			trans	-144.9	29.8	179.2	54.6	-176.8	177.7	176.9	4	113.4	L672 E676 L804 E805 V806 R808	L672-R802 HydrophobicContact CD2-CG 4.42Å; E676-R802 VanDerWaalsContact OE1-CG 3.24Å; E676-R802 WeakPolarHBondContact OE1-CG 3.45Å; E676-R802 IonicContact OE1-CZ 3.42Å; E676-R802 IonicContact OE1-NE 2.59Å; E676-R802 PolarHBondContact OE1-NE 2.89Å; E676-R802 IonicContact OE1-NH2 3.91Å; E676-R802 IonicContact OE2-CZ 2.61Å; E676-R802 IonicContact OE2-NE 3.03Å; E676-R802 PolarHBondContact OE2-NE 3.25Å; E676-R802 IonicContact OE2-NH2 2.69Å; E676-R802 PolarHBondContact OE2-NH2 2.87Å; R802-L804 PolarHBondContact O-N 3.15Å; R802-E805 WeakPolarHBondContact CD-O 3.41Å; R802-E805 WeakPolarHBondContact O-CB 3.28Å; R802-E805 PolarHBondContact O-N 2.9Å; R802-V806 VanDerWaalsContact CZ-O 3.28Å; R802-V806 PolarHBondContact NH1-O 3.18Å; R802-V806 PolarHBondContact NH2-O 3.18Å; R802-R808 WeakPolarHBondContact CD-O 3.37Å; R802-R808 PolarHBondContact NH1-O 2.86Å
803	N	92	Very high	93.3	Very high	45 Å²	45	43.8 Å²	43.8	24%	0.241	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	27.6	171.1	-167.2	47.2	0	0	0	114.8	L690 W801 E805	L690-N803 WeakPolarHBondContact CD2-OD1 3.32Å; W801-N803 HydrophobicContact CH2-CB 4.4Å; W801-N803 HydrophobicContact CZ2-CB 3.98Å; N803-E805 PolarHBondContact ND2-OE1 2.9Å; N803-E805 PolarHBondContact O-N 3.35Å
804	L	90.6	Very high	93.4	Very high	23 Å²	23	44.7 Å²	44.7	12%	0.12	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	12.6	-172.6	-55	179.5	0	0	0	115.8	E676 L679 A686 Y689 L690 R802 V806	E676-L804 HydrophobicContact CB-CD2 4.25Å; E676-L804 HydrophobicContact CG-CD2 3.71Å; L679-L804 HydrophobicContact CD1-CD2 4.28Å; A686-L804 HydrophobicContact CB-CD1 3.93Å; Y689-L804 HydrophobicContact CD1-CD2 4.33Å; Y689-L804 HydrophobicContact CD1-CG 4.47Å; Y689-L804 HydrophobicContact CE1-CD2 3.97Å; Y689-L804 HydrophobicContact CE1-CG 4.32Å; L690-L804 HydrophobicContact CD1-CD1 4.03Å; L690-L804 HydrophobicContact CD2-CB 4.45Å; L690-L804 HydrophobicContact CD2-CD1 4.01Å; L690-L804 HydrophobicContact CD2-CG 3.79Å; L690-L804 HydrophobicContact CG-CD1 3.94Å; L690-L804 HydrophobicContact CG-CG 4.3Å; R802-L804 PolarHBondContact O-N 3.15Å; L804-V806 VanDerWaalsContact C-N 3.29Å; L804-V806 PolarHBondContact O-N 3.49Å
805	E	92.1	Very high	93.5	Very high	82 Å²	82	43 Å²	43	38%	0.383	21%	0.208	S	C	.	.			trans	-77.1	76.8	171.3	-65.6	157.5	-150.9	0	0	109.3	R802 N803 D807 R808	R802-E805 WeakPolarHBondContact CD-O 3.41Å; R802-E805 WeakPolarHBondContact O-CB 3.28Å; R802-E805 PolarHBondContact O-N 2.9Å; N803-E805 PolarHBondContact ND2-OE1 2.9Å; N803-E805 PolarHBondContact O-N 3.35Å; E805-D807 PolarHBondContact O-N 3.43Å; E805-R808 HydrophobicContact CB-CB 4.01Å; E805-R808 WeakPolarHBondContact O-CB 3.41Å; E805-R808 PolarHBondContact O-N 3.41Å; E805-R808 WeakPolarHBondContact OE2-CD 3.48Å; E805-R808 IonicContact OE2-NH1 3.71Å; E805-R808 PolarHBondContact OE2-NH1 3.16Å
806	V	87.9	Confident	93.7	Very high	58 Å²	58	43.2 Å²	43.2	35%	0.352	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-22.7	-169.8	-65.7	0	0	0	0	115.1	E676 L680 R802 L804 R808	E676-V806 HydrophobicContact CB-CG1 4.3Å; L680-V806 HydrophobicContact CD1-CG1 3.93Å; R802-V806 VanDerWaalsContact CZ-O 3.28Å; R802-V806 PolarHBondContact NH1-O 3.18Å; R802-V806 PolarHBondContact NH2-O 3.18Å; L804-V806 VanDerWaalsContact C-N 3.29Å; L804-V806 PolarHBondContact O-N 3.49Å; V806-R808 VanDerWaalsContact C-N 3.34Å
807	D	88.9	Confident	93.9	Very high	166 Å²	166	44.2 Å²	44.2	89%	0.888	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-10.9	178.3	-58.5	-46.1	0	0	0	113.1	E805	E805-D807 PolarHBondContact O-N 3.43Å
808	R	91.1	Very high	93.9	Very high	120 Å²	120	44.2 Å²	44.2	45%	0.453	21%	0.212	S	C	.	.	S	Bend	trans	-93.1	144.5	179.3	-173.9	-174.4	164.2	-173.1	-3	110.8	R802 E805 V806 T811	R802-R808 WeakPolarHBondContact CD-O 3.37Å; R802-R808 PolarHBondContact NH1-O 2.86Å; E805-R808 HydrophobicContact CB-CB 4.01Å; E805-R808 WeakPolarHBondContact O-CB 3.41Å; E805-R808 PolarHBondContact O-N 3.41Å; E805-R808 WeakPolarHBondContact OE2-CD 3.48Å; E805-R808 IonicContact OE2-NH1 3.71Å; E805-R808 PolarHBondContact OE2-NH1 3.16Å; V806-R808 VanDerWaalsContact C-N 3.34Å; R808-T811 PolarHBondContact NH2-OG1 3.22Å
809	E	90.2	Very high	93.8	Very high	171 Å²	171	44 Å²	44	80%	0.799	21%	0.211	S	C	*	.	P	Polyproline II helix	trans	-63.1	136.2	169.1	-72.4	-151.9	141.9	0	0	111.6	T811	E809-T811 PolarHBondContact O-N 3.46Å
810	P	92.8	Very high	93.3	Very high	30 Å²	30	49 Å²	49	20%	0.195	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-59.4	130.9	176.8	-20.6	30.8	0	0	0	113.5	L672 L800	L672-P810 HydrophobicContact CD2-CB 3.97Å; L672-P810 HydrophobicContact CD2-CG 3.88Å; L800-P810 HydrophobicContact CB-CB 3.91Å; L800-P810 HydrophobicContact CD2-CB 4.38Å
811	T	94.2	Very high	92.9	Very high	16 Å²	16	49.9 Å²	49.9	10%	0.098	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	136.4	166	-63.4	0	0	0	0	108.9	E704 W801 R808 E809 Y813	E704-T811 HydrophobicContact CG-CG2 3.76Å; W801-T811 PolarHBondContact N-O 3.35Å; W801-T811 PolarHBondContact O-N 3.47Å; R808-T811 PolarHBondContact NH2-OG1 3.22Å; E809-T811 PolarHBondContact O-N 3.46Å; T811-Y813 HydrophobicContact CG2-CD2 3.99Å; T811-Y813 HydrophobicContact CG2-CE2 3.48Å; T811-Y813 VanDerWaalsContact CG2-CE2 3.48Å
812	I	94.8	Very high	92.8	Very high	49 Å²	49	49.3 Å²	49.3	25%	0.251	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	117.7	175.5	-55.8	170.8	0	0	0	107.8	E704 A705 Y717 R798 L800	E704-I812 WeakPolarHBondContact CA-O 3.23Å; A705-I812 HydrophobicContact CB-CB 4.26Å; A705-I812 HydrophobicContact CB-CG2 3.67Å; A705-I812 PolarHBondContact N-O 3.36Å; Y717-I812 HydrophobicContact CD1-CG2 4.32Å; Y717-I812 HydrophobicContact CE1-CD1 4.1Å; Y717-I812 HydrophobicContact CE1-CG1 4.29Å; Y717-I812 HydrophobicContact CE1-CG2 3.68Å; R798-I812 HydrophobicContact CB-CG2 4.15Å; R798-I812 HydrophobicContact CG-CG2 4.18Å; L800-I812 HydrophobicContact CD2-CB 4.42Å; L800-I812 HydrophobicContact CD2-CG1 3.68Å
813	Y	96.5	Very high	92.7	Very high	35 Å²	35	51.3 Å²	51.3	14%	0.137	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	157.8	171.3	-72.7	-88.2	0	0	0	110.2	V697 V702 E703 R798 F799 W801 T811	V697-Y813 HydrophobicContact CG2-CE1 3.96Å; V702-Y813 HydrophobicContact CB-CD1 4.45Å; V702-Y813 HydrophobicContact CG2-CD1 3.89Å; V702-Y813 HydrophobicContact CG2-CG 4.49Å; E703-Y813 CarbonylContact O-C 3.54Å; E703-Y813 VanDerWaalsContact O-CA 3.24Å; E703-Y813 WeakPolarHBondContact O-CA 3.47Å; R798-Y813 CarbonylContact C-O 3.6Å; R798-Y813 WeakPolarHBondContact CA-O 3.15Å; F799-Y813 VanDerWaalsContact CE1-CB 3.41Å; F799-Y813 HydrophobicContact CE1-CG 4.48Å; F799-Y813 HydrophobicContact CE2-CD2 4.29Å; F799-Y813 HydrophobicContact CE2-CG 4.27Å; F799-Y813 HydrophobicContact CZ-CD2 4.44Å; F799-Y813 AromaticContact CZ-CG 3.98Å; F799-Y813 HydrophobicContact CZ-CG 3.98Å; F799-Y813 PolarHBondContact N-O 2.88Å; F799-Y813 PolarHBondContact O-N 3.33Å; W801-Y813 HydrophobicContact CB-CD2 4.12Å; W801-Y813 HydrophobicContact CB-CE2 4.27Å; W801-Y813 HydrophobicContact CE3-CD2 4.34Å; W801-Y813 AromaticContact CE3-CE2 3.63Å; W801-Y813 HydrophobicContact CE3-CE2 3.63Å; W801-Y813 HydrophobicContact CZ3-CE2 4.42Å; T811-Y813 HydrophobicContact CG2-CD2 3.99Å; T811-Y813 HydrophobicContact CG2-CE2 3.48Å; T811-Y813 VanDerWaalsContact CG2-CE2 3.48Å
814	R	95.7	Very high	92.9	Very high	22 Å²	22	49.2 Å²	49.2	8%	0.083	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	148.3	169.1	65.6	-175.8	-172.2	176.4	5.6	111.3	V702 E703 A705 R794 D795 R798	V702-R814 CarbonylContact C-O 3.57Å; V702-R814 VanDerWaalsContact CA-O 3.23Å; V702-R814 WeakPolarHBondContact CA-O 3.47Å; V702-R814 WeakPolarHBondContact CB-O 3.09Å; E703-R814 HydrophobicContact CG-CG 3.75Å; E703-R814 PolarHBondContact N-O 3.33Å; E703-R814 PolarHBondContact O-N 3.18Å; E703-R814 IonicContact OE1-CZ 3.99Å; E703-R814 VanDerWaalsContact OE1-CZ 3.25Å; E703-R814 IonicContact OE1-NE 3.22Å; E703-R814 PolarHBondContact OE1-NE 2.72Å; E703-R814 IonicContact OE1-NH2 2.68Å; E703-R814 PolarHBondContact OE1-NH2 3.09Å; A705-R814 HydrophobicContact CB-CB 4.32Å; A705-R814 HydrophobicContact CB-CG 4.15Å; R794-R814 HydrophobicContact CB-CG 4.3Å; R794-R814 WeakPolarHBondContact O-CB 3.4Å; D795-R814 VanDerWaalsContact CG-NH1 3.27Å; D795-R814 VanDerWaalsContact OD1-CD 3.29Å; D795-R814 WeakPolarHBondContact OD1-CD 3.42Å; D795-R814 IonicContact OD1-CZ 2.63Å; D795-R814 IonicContact OD1-NE 3.42Å; D795-R814 IonicContact OD1-NH1 3.29Å; D795-R814 PolarHBondContact OD1-NH1 3.46Å; D795-R814 IonicContact OD2-NH1 2.87Å; D795-R814 PolarHBondContact OD2-NH1 3.46Å; D795-R814 VanDerWaalsContact OD2-NH1 3.12Å; R798-R814 HydrophobicContact CG-CB 3.9Å
815	F	97.9	Very high	93.1	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134	178.4	-80.2	-84.3	0	0	0	112.4	Y696 V702 F737 M785 R794 V797 F799 R817 C819	Y696-F815 AromaticContact CD1-CE1 3.67Å; Y696-F815 HydrophobicContact CD1-CE1 3.67Å; Y696-F815 HydrophobicContact CD1-CZ 4.1Å; Y696-F815 AromaticContact CE1-CE1 3.71Å; Y696-F815 HydrophobicContact CE1-CE1 3.71Å; Y696-F815 AromaticContact CE1-CZ 3.96Å; Y696-F815 HydrophobicContact CE1-CZ 3.96Å; V702-F815 HydrophobicContact CG1-CD1 3.6Å; V702-F815 HydrophobicContact CG1-CE1 3.68Å; V702-F815 HydrophobicContact CG1-CG 4.07Å; V702-F815 HydrophobicContact CG1-CZ 4.19Å; F737-F815 AromaticContact CD1-CE2 3.9Å; F737-F815 HydrophobicContact CD1-CE2 3.9Å; F737-F815 HydrophobicContact CD1-CZ 4.3Å; F737-F815 HydrophobicContact CD2-CE2 4.1Å; F737-F815 AromaticContact CD2-CZ 3.77Å; F737-F815 HydrophobicContact CD2-CZ 3.77Å; F737-F815 AromaticContact CE1-CE2 3.85Å; F737-F815 HydrophobicContact CE1-CE2 3.85Å; F737-F815 HydrophobicContact CE1-CZ 4.02Å; F737-F815 HydrophobicContact CE2-CE2 4.07Å; F737-F815 AromaticContact CE2-CZ 3.47Å; F737-F815 HydrophobicContact CE2-CZ 3.47Å; F737-F815 VanDerWaalsContact CE2-CZ 3.47Å; F737-F815 HydrophobicContact CG-CE2 4.02Å; F737-F815 HydrophobicContact CG-CZ 4.18Å; F737-F815 AromaticContact CZ-CE2 3.93Å; F737-F815 HydrophobicContact CZ-CE2 3.93Å; F737-F815 AromaticContact CZ-CZ 3.59Å; F737-F815 HydrophobicContact CZ-CZ 3.59Å; M785-F815 HydrophobicContact CE-CE1 4.28Å; M785-F815 HydrophobicContact SD-CE1 4.34Å; R794-F815 VanDerWaalsContact CG-O 3.27Å; R794-F815 WeakPolarHBondContact CG-O 3.3Å; V797-F815 HydrophobicContact CB-CB 4.19Å; V797-F815 HydrophobicContact CB-CD2 4.22Å; V797-F815 HydrophobicContact CG2-CB 3.7Å; V797-F815 WeakPolarHBondContact O-CD2 3.4Å; V797-F815 PolarHBondContact O-N 3.09Å; F799-F815 HydrophobicContact CD1-CD2 4.22Å; F799-F815 AromaticContact CD1-CE2 3.87Å; F799-F815 HydrophobicContact CD1-CE2 3.87Å; F799-F815 HydrophobicContact CE1-CD2 4.26Å; F799-F815 AromaticContact CE1-CE2 3.92Å; F799-F815 HydrophobicContact CE1-CE2 3.92Å; F799-F815 HydrophobicContact CE1-CZ 4.3Å; F815-R817 WeakPolarHBondContact CB-O 3.39Å; F815-C819 HydrophobicContact CB-CB 4.44Å; F815-C819 HydrophobicContact CD1-CB 3.66Å; F815-C819 HydrophobicContact CD2-CB 3.7Å; F815-C819 HydrophobicContact CE1-CB 3.69Å; F815-C819 HydrophobicContact CE2-CB 3.74Å; F815-C819 HydrophobicContact CG-CB 3.67Å; F815-C819 HydrophobicContact CZ-CB 3.74Å
816	K	97.4	Very high	93.1	Very high	34 Å²	34	46.2 Å²	46.2	15%	0.148	23%	0.229	C	C	.	.	S	Bend	trans	-92.1	-5.9	166.2	-58	171.6	77.8	-179.8	0	112.1	D700 W701 E703 R788 L789	D700-K816 IonicContact OD1-NZ 3.13Å; D700-K816 PolarHBondContact OD1-NZ 3.06Å; D700-K816 IonicContact OD2-NZ 3.4Å; D700-K816 PolarHBondContact OD2-NZ 3.38Å; W701-K816 PolarHBondContact O-N 3.27Å; E703-K816 HydrophobicContact CB-CD 4Å; E703-K816 HydrophobicContact CB-CG 4.24Å; E703-K816 HydrophobicContact CG-CD 4.09Å; E703-K816 HydrophobicContact CG-CG 3.8Å; E703-K816 VanDerWaalsContact OE2-CD 3.28Å; E703-K816 WeakPolarHBondContact OE2-CD 3.29Å; E703-K816 VanDerWaalsContact OE2-CE 3.29Å; E703-K816 WeakPolarHBondContact OE2-CE 3.32Å; E703-K816 WeakPolarHBondContact OE2-CG 3.4Å; R788-K816 WeakPolarHBondContact CA-O 3.22Å; L789-K816 PolarHBondContact N-O 2.95Å
817	R	96.5	Very high	93.4	Very high	22 Å²	22	43.8 Å²	43.8	8%	0.083	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-127.7	158.4	-173.4	-56.3	-62.9	-171.5	-114.8	0.9	110.9	W701 M785 I787 R788 F815 C819	W701-R817 HydrophobicContact CB-CG 4.05Å; W701-R817 HydrophobicContact CG-CG 4.25Å; M785-R817 HydrophobicContact CE-CB 4.41Å; M785-R817 WeakPolarHBondContact O-CD 3.48Å; M785-R817 VanDerWaalsContact O-CG 3.23Å; M785-R817 WeakPolarHBondContact O-CG 3.3Å; M785-R817 PolarHBondContact O-NE 3.49Å; M785-R817 HydrophobicContact SD-CB 4.45Å; I787-R817 CarbonylContact O-C 3.58Å; I787-R817 WeakPolarHBondContact O-CA 3.46Å; I787-R817 WeakPolarHBondContact O-CB 3.47Å; I787-R817 WeakPolarHBondContact O-CD 3.34Å; R788-R817 VanDerWaalsContact CG-NH1 3.31Å; F815-R817 WeakPolarHBondContact CB-O 3.39Å; R817-C819 PolarHBondContact O-N 3.47Å
818	V	96.3	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-61.6	119.7	172.1	174.9	0	0	0	0	108.5	V651 F784 M785 I787 S825 L828	V651-V818 HydrophobicContact CG2-CG2 3.56Å; F784-V818 CarbonylContact C-O 3.54Å; F784-V818 VanDerWaalsContact CB-O 3.28Å; F784-V818 WeakPolarHBondContact CB-O 3.43Å; F784-V818 VanDerWaalsContact O-O 3.14Å; M785-V818 WeakPolarHBondContact CE-O 3.29Å; I787-V818 HydrophobicContact CB-CG2 4.11Å; I787-V818 HydrophobicContact CG2-CG2 3.79Å; I787-V818 PolarHBondContact O-N 3.36Å; V818-S825 WeakPolarHBondContact CG1-OG 3.15Å; V818-L828 HydrophobicContact CG1-CD1 4.33Å; V818-L828 HydrophobicContact CG2-CD1 4.27Å
819	C	92.1	Very high	94	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-95.1	154.4	-174.5	69.3	0	0	0	0	113.5	M785 F815 R817 S825	M785-C819 HydrophobicContact CE-CB 4.36Å; F815-C819 HydrophobicContact CB-CB 4.44Å; F815-C819 HydrophobicContact CD1-CB 3.66Å; F815-C819 HydrophobicContact CD2-CB 3.7Å; F815-C819 HydrophobicContact CE1-CB 3.69Å; F815-C819 HydrophobicContact CE2-CB 3.74Å; F815-C819 HydrophobicContact CG-CB 3.67Å; F815-C819 HydrophobicContact CZ-CB 3.74Å; R817-C819 PolarHBondContact O-N 3.47Å; C819-S825 WeakPolarHBondContact O-CB 3.28Å; C819-S825 PolarHBondContact O-OG 3.34Å
820	F	87	Confident	94.2	Very high	107 Å²	107	22.4 Å²	22.4	47%	0.469	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	148.7	169.8	-173.5	-98.3	0	0	0	110.4	F784	F784-F820 HydrophobicContact CD2-CD2 4.18Å; F784-F820 AromaticContact CE2-CD2 3.78Å; F784-F820 HydrophobicContact CE2-CD2 3.78Å; F784-F820 HydrophobicContact CE2-CE2 4.43Å
821	G	86.8	Confident	94.3	Very high	22 Å²	22	21 Å²	21	23%	0.227	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	-11.3	178.2	0	0	0	0	0	115.1	F737 N749	F737-G821 WeakPolarHBondContact O-CA 3.26Å; N749-G821 PolarHBondContact ND2-O 3.02Å
822	L	94.1	Very high	94.5	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.042	10%	0.1	C	C	.	.			trans	-84.9	139	166.7	-43.4	-178.2	0	0	0	109.9	L653 L718 L748 N749 L752 V797 C824 S825	L653-L822 HydrophobicContact CD2-CD1 3.9Å; L718-L822 HydrophobicContact CD2-CD2 4.41Å; L748-L822 HydrophobicContact CD2-CD2 3.57Å; L748-L822 HydrophobicContact CG-CD2 4.36Å; N749-L822 VanDerWaalsContact OD1-CA 3.29Å; N749-L822 WeakPolarHBondContact OD1-CA 3.4Å; L752-L822 HydrophobicContact CD1-CB 4.49Å; L752-L822 HydrophobicContact CD1-CD1 4.36Å; V797-L822 HydrophobicContact CG1-CD1 4.01Å; L822-C824 PolarHBondContact O-N 2.79Å; L822-S825 WeakPolarHBondContact CB-OG 3.44Å; L822-S825 PolarHBondContact O-N 3.33Å; L822-S825 PolarHBondContact O-OG 3.32Å
823	K	92.6	Very high	94.5	Very high	66 Å²	66	17.9 Å²	17.9	29%	0.287	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-23.3	-179.4	70.1	175.1	-169.9	-174.2	0	113.3	N749 L752 A754	N749-K823 HydrophobicContact CB-CB 4.49Å; N749-K823 HydrophobicContact CB-CD 4.18Å; N749-K823 HydrophobicContact CB-CG 4.27Å; N749-K823 WeakPolarHBondContact O-CD 3.38Å; N749-K823 WeakPolarHBondContact O-CE 3.32Å; N749-K823 PolarHBondContact O-NZ 2.99Å; N749-K823 PolarHBondContact OD1-N 2.89Å; L752-K823 WeakPolarHBondContact O-CE 2.93Å; L752-K823 PolarHBondContact O-NZ 3.2Å; A754-K823 HydrophobicContact CB-CD 4.21Å; A754-K823 HydrophobicContact CB-CG 4.35Å
824	C	94.5	Very high	94.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-15.4	179.5	66	0	0	0	0	113.3	P654 E753 L822 F827 L828	P654-C824 HydrophobicContact CG-CB 3.62Å; E753-C824 WeakPolarHBondContact O-CB 3.28Å; L822-C824 PolarHBondContact O-N 2.79Å; C824-F827 WeakPolarHBondContact O-CB 3.27Å; C824-F827 PolarHBondContact O-N 2.79Å; C824-F827 VanDerWaalsContact O-N 3.14Å; C824-L828 HydrophobicContact CB-CD1 4.44Å; C824-L828 WeakPolarHBondContact O-CG 3.31Å; C824-L828 PolarHBondContact O-N 3.18Å
825	S	94.9	Very high	94.5	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	10%	0.095	C	C	.	.	H	α-helix	trans	-58.8	-43.5	-174.1	-58.6	0	0	0	0	113.6	F784 V818 C819 L822 F827 L828 A829	F784-S825 VanDerWaalsContact CE1-O 3.31Å; F784-S825 WeakPolarHBondContact CE1-O 3.23Å; V818-S825 WeakPolarHBondContact CG1-OG 3.15Å; C819-S825 WeakPolarHBondContact O-CB 3.28Å; C819-S825 PolarHBondContact O-OG 3.34Å; L822-S825 WeakPolarHBondContact CB-OG 3.44Å; L822-S825 PolarHBondContact O-N 3.33Å; L822-S825 PolarHBondContact O-OG 3.32Å; S825-F827 VanDerWaalsContact C-N 3.33Å; S825-F827 PolarHBondContact O-N 2.89Å; S825-L828 PolarHBondContact O-N 3.32Å; S825-A829 WeakPolarHBondContact O-CB 3.41Å; S825-A829 PolarHBondContact O-N 3.18Å
826	P	93.2	Very high	94.5	Very high	42 Å²	42	19.4 Å²	19.4	27%	0.273	10%	0.095	S	C	.	.	H	α-helix	trans	-59.4	-42.2	175	-24.6	35.9	0	0	0	113	L830	P826-L830 WeakPolarHBondContact O-CB 3.44Å; P826-L830 WeakPolarHBondContact O-CG 3.28Å; P826-L830 PolarHBondContact O-N 2.85Å; P826-L830 VanDerWaalsContact O-N 3.15Å
827	F	94.7	Very high	94.4	Very high	7 Å²	7	17.8 Å²	17.8	3%	0.031	9%	0.088	C	C	.	.	H	α-helix	trans	-62.5	-52.6	175.7	157.2	-106.6	0	0	0	110.8	V634 M635 F638 A754 P756 L758 C824 S825 A829 L830 A831	V634-F827 HydrophobicContact CG1-CD1 4.45Å; V634-F827 HydrophobicContact CG1-CE1 3.71Å; V634-F827 HydrophobicContact CG1-CZ 3.91Å; M635-F827 HydrophobicContact SD-CE2 3.97Å; M635-F827 HydrophobicContact SD-CZ 4.27Å; F638-F827 HydrophobicContact CB-CE1 4.46Å; F638-F827 HydrophobicContact CB-CZ 4.04Å; F638-F827 HydrophobicContact CG-CZ 4.32Å; A754-F827 WeakPolarHBondContact O-CB 3.29Å; P756-F827 HydrophobicContact CG-CD2 4.02Å; P756-F827 HydrophobicContact CG-CE2 3.81Å; L758-F827 HydrophobicContact CD1-CD2 3.75Å; L758-F827 HydrophobicContact CD1-CE2 3.83Å; L758-F827 HydrophobicContact CG-CD2 4.13Å; L758-F827 HydrophobicContact CG-CE2 4.44Å; C824-F827 WeakPolarHBondContact O-CB 3.27Å; C824-F827 PolarHBondContact O-N 2.79Å; C824-F827 VanDerWaalsContact O-N 3.14Å; S825-F827 VanDerWaalsContact C-N 3.33Å; S825-F827 PolarHBondContact O-N 2.89Å; F827-A829 VanDerWaalsContact C-N 3.3Å; F827-A829 PolarHBondContact O-N 3.16Å; F827-L830 PolarHBondContact O-N 3.19Å; F827-A831 HydrophobicContact CD2-CB 4.33Å; F827-A831 HydrophobicContact CE2-CB 3.94Å; F827-A831 HydrophobicContact CZ-CB 4.19Å; F827-A831 WeakPolarHBondContact O-CB 3.28Å; F827-A831 PolarHBondContact O-N 2.97Å
828	L	96.4	Very high	94.4	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-58.4	-42.9	-177.9	-70.3	174	0	0	0	111.6	F638 V651 L653 V818 C824 S825 A831 V832	F638-L828 HydrophobicContact CD2-CD2 4.13Å; V651-L828 HydrophobicContact CB-CD2 4.35Å; V651-L828 HydrophobicContact CG2-CD1 4.15Å; V651-L828 HydrophobicContact CG2-CD2 4.24Å; L653-L828 HydrophobicContact CD2-CD1 4.28Å; V818-L828 HydrophobicContact CG1-CD1 4.33Å; V818-L828 HydrophobicContact CG2-CD1 4.27Å; C824-L828 HydrophobicContact CB-CD1 4.44Å; C824-L828 WeakPolarHBondContact O-CG 3.31Å; C824-L828 PolarHBondContact O-N 3.18Å; S825-L828 PolarHBondContact O-N 3.32Å; L828-A831 PolarHBondContact O-N 3.35Å; L828-V832 VanDerWaalsContact O-CG2 3.31Å; L828-V832 WeakPolarHBondContact O-CG2 3.49Å; L828-V832 PolarHBondContact O-N 2.97Å
829	A	95	Very high	94.3	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.008	14%	0.139	C	C	.	.	H	α-helix	trans	-64.2	-47.6	179.2	0	0	0	0	0	113.2	M783 F784 I787 S825 F827 A831 V832 V833	M783-A829 HydrophobicContact CE-CB 4.05Å; M783-A829 HydrophobicContact CG-CB 4.2Å; M783-A829 HydrophobicContact SD-CB 3.77Å; F784-A829 HydrophobicContact CD1-CB 3.58Å; F784-A829 HydrophobicContact CE1-CB 3.53Å; I787-A829 VanDerWaalsContact CD1-CA 3.48Å; I787-A829 HydrophobicContact CD1-CB 4.01Å; S825-A829 WeakPolarHBondContact O-CB 3.41Å; S825-A829 PolarHBondContact O-N 3.18Å; F827-A829 VanDerWaalsContact C-N 3.3Å; F827-A829 PolarHBondContact O-N 3.16Å; A829-A831 VanDerWaalsContact C-N 3.34Å; A829-V832 PolarHBondContact O-N 2.86Å; A829-V833 PolarHBondContact O-N 2.98Å; A829-V833 VanDerWaalsContact O-N 3.09Å
830	L	94.5	Very high	94.4	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-38.9	176.6	-72.5	171.9	0	0	0	111.7	L758 Q759 M783 P826 F827 V833 R834 M855	L758-L830 HydrophobicContact CB-CB 4.05Å; L758-L830 HydrophobicContact CB-CD1 4.35Å; L758-L830 HydrophobicContact CD1-CB 4.4Å; Q759-L830 HydrophobicContact CB-CD1 4.39Å; Q759-L830 HydrophobicContact CG-CD1 3.51Å; M783-L830 HydrophobicContact CE-CD2 4.48Å; P826-L830 WeakPolarHBondContact O-CB 3.44Å; P826-L830 WeakPolarHBondContact O-CG 3.28Å; P826-L830 PolarHBondContact O-N 2.85Å; P826-L830 VanDerWaalsContact O-N 3.15Å; F827-L830 PolarHBondContact O-N 3.19Å; L830-V833 PolarHBondContact O-N 3.43Å; L830-R834 VanDerWaalsContact O-CB 3.26Å; L830-R834 WeakPolarHBondContact O-CB 3.29Å; L830-R834 WeakPolarHBondContact O-CG 3.18Å; L830-R834 PolarHBondContact O-N 3.48Å; L830-M855 HydrophobicContact CD2-CE 4Å
831	A	95.5	Very high	94.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-44.4	179.3	0	0	0	0	0	111.2	F638 L758 F827 L828 A829 H835	F638-A831 HydrophobicContact CD1-CB 3.93Å; F638-A831 HydrophobicContact CD2-CB 4.15Å; F638-A831 HydrophobicContact CE1-CB 3.62Å; F638-A831 HydrophobicContact CE2-CB 3.83Å; F638-A831 HydrophobicContact CG-CB 4.2Å; F638-A831 VanDerWaalsContact CZ-C 3.48Å; F638-A831 HydrophobicContact CZ-CB 3.57Å; L758-A831 HydrophobicContact CD1-CB 3.74Å; F827-A831 HydrophobicContact CD2-CB 4.33Å; F827-A831 HydrophobicContact CE2-CB 3.94Å; F827-A831 HydrophobicContact CZ-CB 4.19Å; F827-A831 WeakPolarHBondContact O-CB 3.28Å; F827-A831 PolarHBondContact O-N 2.97Å; L828-A831 PolarHBondContact O-N 3.35Å; A829-A831 VanDerWaalsContact C-N 3.34Å; A831-H835 WeakPolarHBondContact O-CB 3.45Å; A831-H835 PolarHBondContact O-N 3.02Å
832	V	97.7	Very high	94.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-49.6	176.4	174.2	0	0	0	0	111.5	F638 Y649 V651 I787 L828 A829 R834 H835 H836 F886	F638-V832 HydrophobicContact CE2-CG2 3.74Å; F638-V832 HydrophobicContact CZ-CG2 3.86Å; Y649-V832 HydrophobicContact CD1-CG1 4.33Å; Y649-V832 HydrophobicContact CD2-CG1 3.5Å; Y649-V832 VanDerWaalsContact CD2-CG1 3.5Å; Y649-V832 HydrophobicContact CE2-CG1 4.3Å; Y649-V832 HydrophobicContact CG-CG1 3.52Å; V651-V832 HydrophobicContact CG1-CG2 3.47Å; V651-V832 VanDerWaalsContact CG1-CG2 3.47Å; I787-V832 HydrophobicContact CD1-CB 3.86Å; I787-V832 HydrophobicContact CD1-CG1 4.22Å; I787-V832 HydrophobicContact CD1-CG2 4Å; I787-V832 HydrophobicContact CG1-CB 4.39Å; I787-V832 HydrophobicContact CG1-CG1 4.24Å; I787-V832 HydrophobicContact CG1-CG2 4.44Å; I787-V832 HydrophobicContact CG2-CG2 4.07Å; L828-V832 VanDerWaalsContact O-CG2 3.31Å; L828-V832 WeakPolarHBondContact O-CG2 3.49Å; L828-V832 PolarHBondContact O-N 2.97Å; A829-V832 PolarHBondContact O-N 2.86Å; V832-R834 VanDerWaalsContact C-N 3.32Å; V832-R834 PolarHBondContact O-N 2.88Å; V832-H835 PolarHBondContact O-N 3.22Å; V832-H836 WeakPolarHBondContact O-CB 3.45Å; V832-H836 PolarHBondContact O-N 3.29Å; V832-F886 HydrophobicContact CG1-CE2 4.06Å; V832-F886 HydrophobicContact CG1-CZ 3.66Å
833	V	96.1	Very high	94.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.6	-39.5	-178.3	173.2	0	0	0	0	111.5	M783 A829 L830 H836 A837 I851 M855 M881 F886	M783-V833 HydrophobicContact CE-CB 4.07Å; M783-V833 HydrophobicContact CE-CG2 3.43Å; M783-V833 VanDerWaalsContact CE-CG2 3.43Å; A829-V833 PolarHBondContact O-N 2.98Å; A829-V833 VanDerWaalsContact O-N 3.09Å; L830-V833 PolarHBondContact O-N 3.43Å; V833-H836 PolarHBondContact O-N 2.9Å; V833-A837 WeakPolarHBondContact O-CB 3.46Å; V833-A837 PolarHBondContact O-N 3.42Å; V833-I851 HydrophobicContact CG1-CG2 3.42Å; V833-I851 VanDerWaalsContact CG1-CG2 3.42Å; V833-M855 HydrophobicContact CB-CE 3.81Å; V833-M855 HydrophobicContact CG1-CE 3.33Å; V833-M855 HydrophobicContact CG1-SD 3.76Å; V833-M855 HydrophobicContact CG2-CE 4.39Å; V833-M881 HydrophobicContact CG1-CE 3.91Å; V833-M881 HydrophobicContact CG1-SD 4.35Å; V833-M881 HydrophobicContact CG2-CE 4.34Å; V833-F886 HydrophobicContact CG2-CD1 4.28Å; V833-F886 HydrophobicContact CG2-CD2 4.37Å; V833-F886 HydrophobicContact CG2-CE1 3.83Å; V833-F886 HydrophobicContact CG2-CE2 3.93Å; V833-F886 HydrophobicContact CG2-CZ 3.65Å
834	R	95.4	Very high	94.7	Very high	44 Å²	44	30.9 Å²	30.9	17%	0.166	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-44.1	173.8	-70.4	174.2	64.9	71.4	2.3	111.9	R760 L830 V832 H836 A837 L838 L852	R760-R834 VanDerWaalsContact NH2-NH1 3.15Å; L830-R834 VanDerWaalsContact O-CB 3.26Å; L830-R834 WeakPolarHBondContact O-CB 3.29Å; L830-R834 WeakPolarHBondContact O-CG 3.18Å; L830-R834 PolarHBondContact O-N 3.48Å; V832-R834 VanDerWaalsContact C-N 3.32Å; V832-R834 PolarHBondContact O-N 2.88Å; R834-H836 VanDerWaalsContact C-N 3.32Å; R834-H836 PolarHBondContact O-N 3.42Å; R834-A837 PolarHBondContact O-N 3.49Å; R834-L838 WeakPolarHBondContact O-CB 3.17Å; R834-L838 VanDerWaalsContact O-CG 3.27Å; R834-L838 WeakPolarHBondContact O-CG 3.13Å; R834-L838 PolarHBondContact O-N 3.22Å; R834-L852 HydrophobicContact CB-CD2 3.96Å; R834-L852 HydrophobicContact CG-CD2 3.97Å; R834-L852 PolarHBondContact NH1-O 3.14Å
835	H	96.2	Very high	94.7	Very high	43 Å²	43	33.5 Å²	33.5	20%	0.199	20%	0.201	C	C	.	.	H	α-helix	trans	-59.8	-44.7	176.8	178.7	76.2	0	0	0	111.1	F638 Y649 A831 V832 L838 L839	F638-H835 HydrophobicContact CE1-CB 4.22Å; F638-H835 HydrophobicContact CZ-CB 4.4Å; Y649-H835 AromaticContact CE1-CD2 3.69Å; A831-H835 WeakPolarHBondContact O-CB 3.45Å; A831-H835 PolarHBondContact O-N 3.02Å; V832-H835 PolarHBondContact O-N 3.22Å; H835-L838 PolarHBondContact O-N 3.38Å; H835-L839 VanDerWaalsContact NE2-CD1 3.35Å; H835-L839 WeakPolarHBondContact NE2-CD1 3.5Å; H835-L839 WeakPolarHBondContact O-CG 3.35Å; H835-L839 PolarHBondContact O-N 3.25Å
836	H	97.3	Very high	94.6	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-46.3	176.2	-177.6	63.7	0	0	0	112.8	Y649 V832 V833 R834 L838 L839 N840 L880 G884	Y649-H836 HydrophobicContact CE2-CB 3.69Å; Y649-H836 AromaticContact CE2-CG 3.74Å; Y649-H836 AromaticContact CE2-ND1 3.43Å; Y649-H836 WeakPolarHBondContact CE2-ND1 3.44Å; Y649-H836 AromaticContact CZ-ND1 3.57Å; Y649-H836 PolarHBondContact OH-ND1 2.9Å; V832-H836 WeakPolarHBondContact O-CB 3.45Å; V832-H836 PolarHBondContact O-N 3.29Å; V833-H836 PolarHBondContact O-N 2.9Å; R834-H836 VanDerWaalsContact C-N 3.32Å; R834-H836 PolarHBondContact O-N 3.42Å; H836-L838 PolarHBondContact O-N 3.35Å; H836-L839 PolarHBondContact O-N 3.33Å; H836-N840 PolarHBondContact CE1-ND2 2.73Å; H836-N840 PolarHBondContact ND1-ND2 2.77Å; H836-N840 PolarHBondContact O-N 3.14Å; H836-N840 PolarHBondContact O-ND2 3.15Å; H836-L880 PolarHBondContact NE2-O 2.9Å; H836-G884 WeakPolarHBondContact CE1-CA 3.46Å; H836-G884 PolarHBondContact CE1-N 3.02Å; H836-G884 PolarHBondContact NE2-N 2.68Å
837	A	96.2	Very high	94.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-42.9	176.5	0	0	0	0	0	112	V833 R834 N840 G841 A848 I851 L852	V833-A837 WeakPolarHBondContact O-CB 3.46Å; V833-A837 PolarHBondContact O-N 3.42Å; R834-A837 PolarHBondContact O-N 3.49Å; A837-N840 CarbonylContact O-C 3.45Å; A837-N840 PolarHBondContact O-N 2.87Å; A837-G841 PolarHBondContact O-N 2.94Å; A837-A848 HydrophobicContact CB-CB 4.25Å; A837-A848 VanDerWaalsContact O-CB 3.3Å; A837-A848 WeakPolarHBondContact O-CB 3.45Å; A837-I851 HydrophobicContact CB-CB 4.16Å; A837-I851 HydrophobicContact CB-CG2 3.86Å; A837-L852 HydrophobicContact CB-CD2 4.11Å; A837-L852 HydrophobicContact CB-CG 3.98Å
838	L	95.7	Very high	94.9	Very high	115 Å²	115	35.7 Å²	35.7	60%	0.602	21%	0.208	S	C	*	.	H	α-helix	trans	-64	-43.3	178.1	-73.2	167.4	0	0	0	112.4	R834 H835 H836 N840 G841 L852	R834-L838 WeakPolarHBondContact O-CB 3.17Å; R834-L838 VanDerWaalsContact O-CG 3.27Å; R834-L838 WeakPolarHBondContact O-CG 3.13Å; R834-L838 PolarHBondContact O-N 3.22Å; H835-L838 PolarHBondContact O-N 3.38Å; H836-L838 PolarHBondContact O-N 3.35Å; L838-N840 PolarHBondContact O-N 3.06Å; L838-G841 PolarHBondContact O-N 3.15Å; L838-L852 HydrophobicContact CD2-CD1 3.72Å; L838-L852 HydrophobicContact CD2-CD2 4.44Å; L838-L852 HydrophobicContact CG-CD1 4.15Å; L838-L852 HydrophobicContact CG-CD2 4.13Å
839	L	94.7	Very high	94.8	Very high	108 Å²	108	38.4 Å²	38.4	57%	0.565	23%	0.225	S	C	*	.	H	α-helix	trans	-62.9	-32.3	178	-75.3	178.5	0	0	0	112.8	H835 H836	H835-L839 VanDerWaalsContact NE2-CD1 3.35Å; H835-L839 WeakPolarHBondContact NE2-CD1 3.5Å; H835-L839 WeakPolarHBondContact O-CG 3.35Å; H835-L839 PolarHBondContact O-N 3.25Å; H836-L839 PolarHBondContact O-N 3.33Å
840	N	94.3	Very high	94.9	Very high	34 Å²	34	38.7 Å²	38.7	18%	0.182	23%	0.226	C	C	.	.	H	α-helix	trans	-102.3	6.1	-175.6	-69.4	-75	0	0	0	113.5	H836 A837 L838 G842 K843 F844 L880	H836-N840 PolarHBondContact CE1-ND2 2.73Å; H836-N840 PolarHBondContact ND1-ND2 2.77Å; H836-N840 PolarHBondContact O-N 3.14Å; H836-N840 PolarHBondContact O-ND2 3.15Å; A837-N840 CarbonylContact O-C 3.45Å; A837-N840 PolarHBondContact O-N 2.87Å; L838-N840 PolarHBondContact O-N 3.06Å; N840-G842 PolarHBondContact O-N 3.07Å; N840-G842 VanDerWaalsContact O-N 3.13Å; N840-K843 PolarHBondContact O-N 2.97Å; N840-K843 VanDerWaalsContact O-N 3.15Å; N840-F844 HydrophobicContact CB-CD2 4.2Å; N840-F844 PolarHBondContact O-N 3.31Å; N840-L880 HydrophobicContact CB-CD1 3.35Å
841	G	87.9	Confident	94.9	Very high	25 Å²	25	38.6 Å²	38.6	26%	0.258	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.4	-179.6	0	0	0	0	0	114.3	A837 L838 A845	A837-G841 PolarHBondContact O-N 2.94Å; L838-G841 PolarHBondContact O-N 3.15Å; G841-A845 WeakPolarHBondContact O-CA 3.35Å; G841-A845 VanDerWaalsContact O-CB 3.28Å; G841-A845 WeakPolarHBondContact O-CB 3.44Å; G841-A845 PolarHBondContact O-N 3.12Å
842	G	91.3	Very high	94.9	Very high	79 Å²	79	39.8 Å²	39.8	81%	0.814	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-47.2	171.2	0	0	0	0	0	113	N840	N840-G842 PolarHBondContact O-N 3.07Å; N840-G842 VanDerWaalsContact O-N 3.13Å
843	K	92.9	Very high	94.7	Very high	135 Å²	135	41.1 Å²	41.1	59%	0.587	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-39	-178.4	-173.3	-178.7	177.6	-162.5	0	111.9	N840 E879	N840-K843 PolarHBondContact O-N 2.97Å; N840-K843 VanDerWaalsContact O-N 3.15Å; K843-E879 IonicContact NZ-OE1 2.8Å; K843-E879 PolarHBondContact NZ-OE1 3.19Å
844	F	94.8	Very high	94.7	Very high	5 Å²	5	41.2 Å²	41.2	2%	0.022	24%	0.239	C	C	.	.	S	Bend	trans	-122.5	52.3	-174.6	-55.7	-78.3	0	0	0	111.6	N840 Q846 A847 A848 D876 E879 L880	N840-F844 HydrophobicContact CB-CD2 4.2Å; N840-F844 PolarHBondContact O-N 3.31Å; F844-Q846 VanDerWaalsContact C-N 3.3Å; F844-Q846 PolarHBondContact O-N 3.48Å; F844-A847 HydrophobicContact CB-CB 4.25Å; F844-A847 PolarHBondContact O-N 3.15Å; F844-A848 WeakPolarHBondContact O-CB 3.11Å; F844-A848 PolarHBondContact O-N 3.07Å; F844-D876 HydrophobicContact CD1-CB 4.07Å; F844-E879 HydrophobicContact CE1-CB 4Å; F844-E879 HydrophobicContact CE1-CG 4.1Å; F844-E879 HydrophobicContact CZ-CB 4.06Å; F844-E879 VanDerWaalsContact CZ-CD 3.47Å; F844-E879 HydrophobicContact CZ-CG 3.75Å; F844-E879 WeakPolarHBondContact CZ-OE1 3.23Å; F844-L880 HydrophobicContact CB-CB 4.31Å; F844-L880 HydrophobicContact CB-CD1 4.37Å; F844-L880 HydrophobicContact CB-CD2 4.24Å; F844-L880 HydrophobicContact CD1-CB 4.46Å; F844-L880 HydrophobicContact CD2-CB 4.02Å; F844-L880 HydrophobicContact CD2-CD1 3.8Å; F844-L880 HydrophobicContact CD2-CG 4.44Å; F844-L880 HydrophobicContact CE2-CB 4.37Å; F844-L880 HydrophobicContact CE2-CD1 4.42Å; F844-L880 HydrophobicContact CG-CB 4.04Å; F844-L880 HydrophobicContact CG-CD1 4.36Å
845	A	94	Very high	94.6	Very high	56 Å²	56	39.5 Å²	39.5	46%	0.463	23%	0.233	S	C	.	.	H	α-helix	trans	-50.7	-46.9	-170.8	0	0	0	0	0	113.8	G841 T849	G841-A845 WeakPolarHBondContact O-CA 3.35Å; G841-A845 VanDerWaalsContact O-CB 3.28Å; G841-A845 WeakPolarHBondContact O-CB 3.44Å; G841-A845 PolarHBondContact O-N 3.12Å; A845-T849 WeakPolarHBondContact O-CB 3.28Å; A845-T849 PolarHBondContact O-N 3.06Å; A845-T849 VanDerWaalsContact O-N 3.08Å; A845-T849 PolarHBondContact O-OG1 2.93Å
846	Q	93.3	Very high	94.3	Very high	92 Å²	92	40.6 Å²	40.6	43%	0.43	24%	0.236	S	C	.	.	H	α-helix	trans	-71.2	-51.2	-178.9	-168.4	63.2	26.3	0	0	111.9	F844 A848 T849 E850 Y864 L873	F844-Q846 VanDerWaalsContact C-N 3.3Å; F844-Q846 PolarHBondContact O-N 3.48Å; Q846-A848 VanDerWaalsContact C-N 3.31Å; Q846-A848 PolarHBondContact O-N 3.08Å; Q846-T849 WeakPolarHBondContact O-CB 3.39Å; Q846-T849 PolarHBondContact O-N 3.47Å; Q846-T849 VanDerWaalsContact O-N 3.09Å; Q846-E850 PolarHBondContact NE2-OE1 3.08Å; Q846-E850 WeakPolarHBondContact O-CG 3.41Å; Q846-E850 PolarHBondContact O-N 3.01Å; Q846-Y864 VanDerWaalsContact CD-OH 3.26Å; Q846-Y864 WeakPolarHBondContact CG-OH 3.38Å; Q846-Y864 PolarHBondContact NE2-OH 3.43Å; Q846-L873 HydrophobicContact CB-CD1 4.37Å; Q846-L873 HydrophobicContact CG-CD1 3.88Å
847	A	96.4	Very high	93.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-39.8	178.9	0	0	0	0	0	112.3	F844 T849 E850 I851 L873 D876 L877 L880	F844-A847 HydrophobicContact CB-CB 4.25Å; F844-A847 PolarHBondContact O-N 3.15Å; A847-T849 PolarHBondContact O-N 2.93Å; A847-E850 PolarHBondContact O-N 2.84Å; A847-I851 WeakPolarHBondContact O-CG1 3.45Å; A847-I851 PolarHBondContact O-N 2.88Å; A847-L873 HydrophobicContact CB-CD1 4.21Å; A847-D876 HydrophobicContact CB-CB 3.82Å; A847-L877 HydrophobicContact CB-CD2 3.79Å; A847-L877 HydrophobicContact CB-CG 3.92Å; A847-L880 HydrophobicContact CB-CD2 3.94Å
848	A	97	Very high	93.6	Very high	3 Å²	3	45.1 Å²	45.1	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-43.9	173.7	0	0	0	0	0	111.7	A837 F844 Q846 E850 I851 L852 L880	A837-A848 HydrophobicContact CB-CB 4.25Å; A837-A848 VanDerWaalsContact O-CB 3.3Å; A837-A848 WeakPolarHBondContact O-CB 3.45Å; F844-A848 WeakPolarHBondContact O-CB 3.11Å; F844-A848 PolarHBondContact O-N 3.07Å; Q846-A848 VanDerWaalsContact C-N 3.31Å; Q846-A848 PolarHBondContact O-N 3.08Å; A848-E850 VanDerWaalsContact C-N 3.33Å; A848-E850 PolarHBondContact O-N 3.37Å; A848-I851 PolarHBondContact O-N 2.92Å; A848-L852 WeakPolarHBondContact O-CB 3.01Å; A848-L852 WeakPolarHBondContact O-CG 3.21Å; A848-L852 PolarHBondContact O-N 2.93Å; A848-L880 HydrophobicContact CB-CD2 4.26Å
849	T	95.6	Very high	93.4	Very high	60 Å²	60	41.4 Å²	41.4	37%	0.368	24%	0.241	S	C	.	.	H	α-helix	trans	-60.6	-43.7	175.6	-60.1	0	0	0	0	111.2	A845 Q846 A847 I851 L852 D853	A845-T849 WeakPolarHBondContact O-CB 3.28Å; A845-T849 PolarHBondContact O-N 3.06Å; A845-T849 VanDerWaalsContact O-N 3.08Å; A845-T849 PolarHBondContact O-OG1 2.93Å; Q846-T849 WeakPolarHBondContact O-CB 3.39Å; Q846-T849 PolarHBondContact O-N 3.47Å; Q846-T849 VanDerWaalsContact O-N 3.09Å; A847-T849 PolarHBondContact O-N 2.93Å; T849-I851 PolarHBondContact O-N 2.54Å; T849-L852 PolarHBondContact O-N 2.93Å; T849-D853 WeakPolarHBondContact O-CB 3.33Å; T849-D853 PolarHBondContact O-N 3.21Å
850	E	95.5	Very high	93.5	Very high	7 Å²	7	36.2 Å²	36.2	3%	0.033	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-42.2	177.5	-66.7	-62.5	146.7	0	0	112.2	R771 Q846 A847 A848 L852 D853 N854 T862 Y864 L873 L877	R771-E850 IonicContact NH2-OE1 2.86Å; Q846-E850 PolarHBondContact NE2-OE1 3.08Å; Q846-E850 WeakPolarHBondContact O-CG 3.41Å; Q846-E850 PolarHBondContact O-N 3.01Å; A847-E850 PolarHBondContact O-N 2.84Å; A848-E850 VanDerWaalsContact C-N 3.33Å; A848-E850 PolarHBondContact O-N 3.37Å; E850-L852 PolarHBondContact O-N 2.84Å; E850-D853 PolarHBondContact O-N 3.34Å; E850-N854 WeakPolarHBondContact O-CA 3.4Å; E850-N854 VanDerWaalsContact O-CB 3.27Å; E850-N854 WeakPolarHBondContact O-CB 3.44Å; E850-N854 PolarHBondContact O-N 2.91Å; E850-N854 PolarHBondContact OE2-ND2 2.68Å; E850-T862 WeakPolarHBondContact OE2-CB 3.25Å; E850-T862 PolarHBondContact OE2-OG1 3.16Å; E850-Y864 PolarHBondContact OE1-OH 3.11Å; E850-L873 HydrophobicContact CG-CD1 3.95Å; E850-L873 HydrophobicContact CG-CD2 4.26Å; E850-L877 HydrophobicContact CB-CD2 4.48Å
851	I	95.8	Very high	93.6	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-43.1	172.9	-67.2	-63.8	0	0	0	111.3	V833 A837 A847 A848 T849 D853 M855 L860 L877 L880 M881	V833-I851 HydrophobicContact CG1-CG2 3.42Å; V833-I851 VanDerWaalsContact CG1-CG2 3.42Å; A837-I851 HydrophobicContact CB-CB 4.16Å; A837-I851 HydrophobicContact CB-CG2 3.86Å; A847-I851 WeakPolarHBondContact O-CG1 3.45Å; A847-I851 PolarHBondContact O-N 2.88Å; A848-I851 PolarHBondContact O-N 2.92Å; T849-I851 PolarHBondContact O-N 2.54Å; I851-D853 VanDerWaalsContact C-N 3.32Å; I851-D853 PolarHBondContact O-N 3.1Å; I851-M855 HydrophobicContact CD1-SD 4.37Å; I851-M855 HydrophobicContact CG2-CE 4.42Å; I851-M855 HydrophobicContact CG2-SD 4.31Å; I851-M855 VanDerWaalsContact O-CB 3.26Å; I851-M855 WeakPolarHBondContact O-CB 3.39Å; I851-L860 HydrophobicContact CD1-CD1 4.25Å; I851-L860 HydrophobicContact CD1-CD2 4.04Å; I851-L877 HydrophobicContact CD1-CD2 3.93Å; I851-L877 HydrophobicContact CG1-CD2 3.9Å; I851-L880 HydrophobicContact CG1-CD2 4.37Å; I851-M881 HydrophobicContact CD1-CE 4.3Å; I851-M881 HydrophobicContact CD1-CG 4.14Å; I851-M881 HydrophobicContact CD1-SD 3.67Å; I851-M881 HydrophobicContact CG1-SD 3.94Å
852	L	94.7	Very high	93.9	Very high	25 Å²	25	33.4 Å²	33.4	13%	0.131	19%	0.193	C	C	.	.	H	α-helix	trans	-69.3	-28.4	-177.6	-71.1	171.6	0	0	0	113.3	R760 R834 A837 L838 A848 T849 E850	R760-L852 PolarHBondContact NE-O 2.78Å; R760-L852 PolarHBondContact NH2-O 3.01Å; R834-L852 HydrophobicContact CB-CD2 3.96Å; R834-L852 HydrophobicContact CG-CD2 3.97Å; R834-L852 PolarHBondContact NH1-O 3.14Å; A837-L852 HydrophobicContact CB-CD2 4.11Å; A837-L852 HydrophobicContact CB-CG 3.98Å; L838-L852 HydrophobicContact CD2-CD1 3.72Å; L838-L852 HydrophobicContact CD2-CD2 4.44Å; L838-L852 HydrophobicContact CG-CD1 4.15Å; L838-L852 HydrophobicContact CG-CD2 4.13Å; A848-L852 WeakPolarHBondContact O-CB 3.01Å; A848-L852 WeakPolarHBondContact O-CG 3.21Å; A848-L852 PolarHBondContact O-N 2.93Å; T849-L852 PolarHBondContact O-N 2.93Å; E850-L852 PolarHBondContact O-N 2.84Å
853	D	93.5	Very high	94.1	Very high	28 Å²	28	29.7 Å²	29.7	15%	0.15	15%	0.154	C	C	.	.	H	α-helix	trans	-109.5	-27.6	-172.9	-77.8	-24.1	0	0	0	114.8	R760 R768 T849 E850 I851 K1094	R760-D853 IonicContact NH2-OD1 3.13Å; R768-D853 PolarHBondContact NH2-O 3.23Å; T849-D853 WeakPolarHBondContact O-CB 3.33Å; T849-D853 PolarHBondContact O-N 3.21Å; E850-D853 PolarHBondContact O-N 3.34Å; I851-D853 VanDerWaalsContact C-N 3.32Å; I851-D853 PolarHBondContact O-N 3.1Å; D853-K1094 IonicContact OD1-NZ 3.21Å; D853-K1094 PolarHBondContact OD1-NZ 3.38Å; D853-K1094 IonicContact OD2-NZ 3.19Å; D853-K1094 PolarHBondContact OD2-NZ 3.37Å
854	N	96.1	Very high	94.1	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-123.9	6	-166.6	-66.6	-37.6	0	0	0	114.4	R768 E850 L860 V861 T862	R768-N854 WeakPolarHBondContact CD-OD1 3.49Å; R768-N854 PolarHBondContact NE-OD1 3.02Å; E850-N854 WeakPolarHBondContact O-CA 3.4Å; E850-N854 VanDerWaalsContact O-CB 3.27Å; E850-N854 WeakPolarHBondContact O-CB 3.44Å; E850-N854 PolarHBondContact O-N 2.91Å; E850-N854 PolarHBondContact OE2-ND2 2.68Å; N854-L860 HydrophobicContact CB-CD1 4.2Å; N854-V861 WeakPolarHBondContact CB-O 3.39Å; N854-V861 PolarHBondContact O-N 3.31Å; N854-T862 PolarHBondContact ND2-OG1 3.43Å
855	M	93	Very high	93.7	Very high	8 Å²	8	27 Å²	27	4%	0.039	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.6	171	-161.3	-177.9	67.5	0	0	111.4	V780 M783 L830 V833 I851 I857 D859 L860	V780-M855 HydrophobicContact CG2-SD 4.2Å; M783-M855 HydrophobicContact CE-CE 3.79Å; M783-M855 HydrophobicContact CE-SD 4.42Å; L830-M855 HydrophobicContact CD2-CE 4Å; V833-M855 HydrophobicContact CB-CE 3.81Å; V833-M855 HydrophobicContact CG1-CE 3.33Å; V833-M855 HydrophobicContact CG1-SD 3.76Å; V833-M855 HydrophobicContact CG2-CE 4.39Å; I851-M855 HydrophobicContact CD1-SD 4.37Å; I851-M855 HydrophobicContact CG2-CE 4.42Å; I851-M855 HydrophobicContact CG2-SD 4.31Å; I851-M855 VanDerWaalsContact O-CB 3.26Å; I851-M855 WeakPolarHBondContact O-CB 3.39Å; M855-I857 WeakPolarHBondContact CE-O 3.41Å; M855-D859 CarbonylContact C-O 3.58Å; M855-D859 WeakPolarHBondContact CA-O 3.26Å; M855-L860 HydrophobicContact CB-CD1 4.34Å
856	Y	91.2	Very high	93.5	Very high	66 Å²	66	26.1 Å²	26.1	26%	0.259	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	94.8	173.4	-169.4	-101.7	0	0	0	110	L762 I765 D858 D859 L918	L762-Y856 HydrophobicContact CB-CD2 4.2Å; L762-Y856 HydrophobicContact CB-CE2 3.86Å; L762-Y856 HydrophobicContact CD1-CD1 4.44Å; L762-Y856 HydrophobicContact CD1-CE1 3.97Å; L762-Y856 HydrophobicContact CD1-CE2 4.13Å; I765-Y856 HydrophobicContact CD1-CD2 4.08Å; I765-Y856 HydrophobicContact CD1-CG 4.33Å; Y856-D858 PolarHBondContact O-N 3.48Å; Y856-D859 PolarHBondContact N-O 2.94Å; Y856-D859 PolarHBondContact O-N 2.61Å; Y856-L918 HydrophobicContact CD1-CD2 3.83Å; Y856-L918 HydrophobicContact CG-CD2 4.03Å
857	I	88.4	Confident	93.2	Very high	43 Å²	43	23.1 Å²	23.1	22%	0.221	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	-101.1	-171.6	-51.7	176.4	0	0	0	109.6	M783 M855	M783-I857 VanDerWaalsContact CE-O 3.24Å; M783-I857 WeakPolarHBondContact CE-O 3.41Å; M783-I857 HydrophobicContact SD-CG2 4.3Å; M783-I857 VanDerWaalsContact SD-O 3.37Å; M855-I857 WeakPolarHBondContact CE-O 3.41Å
858	D	89.5	Confident	92.9	Very high	54 Å²	54	31.2 Å²	31.2	29%	0.289	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-18.9	-179.9	48.4	-28.9	0	0	0	113.1	D779 V780 M783 Y856	D779-D858 CarbonylContact C-O 3.53Å; D779-D858 WeakPolarHBondContact CA-O 3.49Å; V780-D858 HydrophobicContact CB-CB 4.4Å; V780-D858 PolarHBondContact N-O 2.87Å; M783-D858 HydrophobicContact CB-CB 4.34Å; M783-D858 HydrophobicContact SD-CB 4.42Å; Y856-D858 PolarHBondContact O-N 3.48Å
859	D	92.2	Very high	92.6	Very high	37 Å²	37	35 Å²	35	20%	0.198	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	116.1	-176.8	-73.4	-39	0	0	0	111.6	M855 Y856 V861 L918	M855-D859 CarbonylContact C-O 3.58Å; M855-D859 WeakPolarHBondContact CA-O 3.26Å; Y856-D859 PolarHBondContact N-O 2.94Å; Y856-D859 PolarHBondContact O-N 2.61Å; D859-V861 HydrophobicContact CB-CG2 4.41Å; D859-L918 HydrophobicContact CB-CD2 3.82Å
860	L	95.6	Very high	92.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.5	166.7	177.3	64.1	0	0	0	109.7	Q777 A778 I851 N854 M855 L877	Q777-L860 CarbonylContact C-O 3.54Å; Q777-L860 VanDerWaalsContact CA-O 3.26Å; Q777-L860 WeakPolarHBondContact CA-O 3.26Å; A778-L860 HydrophobicContact CB-CB 4.49Å; A778-L860 PolarHBondContact N-O 2.99Å; A778-L860 PolarHBondContact O-N 3.05Å; I851-L860 HydrophobicContact CD1-CD1 4.25Å; I851-L860 HydrophobicContact CD1-CD2 4.04Å; N854-L860 HydrophobicContact CB-CD1 4.2Å; M855-L860 HydrophobicContact CB-CD1 4.34Å; L860-L877 HydrophobicContact CD2-CD1 3.67Å; L860-L877 HydrophobicContact CD2-CD2 3.76Å; L860-L877 HydrophobicContact CD2-CG 4.32Å
861	V	96.3	Very high	92.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	108.9	-176.5	-177.5	0	0	0	0	110.9	I765 F769 Q777 N854 D859 T917 L918	I765-V861 HydrophobicContact CG2-CB 3.99Å; F769-V861 HydrophobicContact CB-CG1 3.71Å; F769-V861 HydrophobicContact CD1-CG1 3.83Å; F769-V861 HydrophobicContact CD2-CB 4.5Å; F769-V861 HydrophobicContact CD2-CG1 3.23Å; F769-V861 HydrophobicContact CE1-CG1 4.23Å; F769-V861 HydrophobicContact CE2-CG1 3.71Å; F769-V861 HydrophobicContact CG-CG1 3.3Å; F769-V861 HydrophobicContact CZ-CG1 4.18Å; Q777-V861 HydrophobicContact CG-CG2 4.11Å; N854-V861 WeakPolarHBondContact CB-O 3.39Å; N854-V861 PolarHBondContact O-N 3.31Å; D859-V861 HydrophobicContact CB-CG2 4.41Å; V861-T917 HydrophobicContact CG1-CG2 3.61Å; V861-T917 HydrophobicContact CG2-CG2 4.11Å; V861-L918 HydrophobicContact CB-CD1 4.39Å; V861-L918 HydrophobicContact CG2-CD1 4.19Å; V861-L918 HydrophobicContact CG2-CD2 4.38Å; V861-L918 HydrophobicContact CG2-CG 4.05Å
862	T	95.7	Very high	91.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	177.3	-176.5	-166.4	0	0	0	0	113.5	F769 I776 E850 N854 Y864 L873	F769-T862 WeakPolarHBondContact CD2-O 3.47Å; F769-T862 WeakPolarHBondContact CE2-O 3.44Å; I776-T862 HydrophobicContact CB-CG2 4.12Å; I776-T862 HydrophobicContact CD1-CG2 4.42Å; I776-T862 PolarHBondContact N-O 3.13Å; I776-T862 PolarHBondContact O-N 3.11Å; E850-T862 WeakPolarHBondContact OE2-CB 3.25Å; E850-T862 PolarHBondContact OE2-OG1 3.16Å; N854-T862 PolarHBondContact ND2-OG1 3.43Å; T862-Y864 HydrophobicContact CG2-CE2 4.48Å; T862-L873 HydrophobicContact CG2-CD2 4.13Å
863	S	94.9	Very high	91.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	154.2	175.9	65.9	0	0	0	0	113.3	R768 F769 R771 Y772 F774	R768-S863 PolarHBondContact O-OG 3.13Å; R768-S863 VanDerWaalsContact O-OG 3.14Å; F769-S863 WeakPolarHBondContact O-CB 3.33Å; F769-S863 PolarHBondContact O-OG 2.82Å; R771-S863 PolarHBondContact N-OG 3.43Å; Y772-S863 VanDerWaalsContact CD2-O 3.25Å; Y772-S863 WeakPolarHBondContact CD2-O 3.4Å; Y772-S863 PolarHBondContact N-OG 3.06Å; Y772-S863 VanDerWaalsContact N-OG 3.09Å; F774-S863 CarbonylContact O-C 3.6Å; F774-S863 WeakPolarHBondContact O-CA 3.29Å; F774-S863 VanDerWaalsContact O-CB 3.31Å; F774-S863 WeakPolarHBondContact O-CB 3.43Å
864	Y	91.8	Very high	91.9	Very high	32 Å²	32	33.5 Å²	33.5	13%	0.125	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.6	-179.7	-86.9	-104.6	0	0	0	111.8	Y772 R773 F774 I776 Q846 E850 T862 D869 L873	Y772-Y864 VanDerWaalsContact CB-O 3.25Å; Y772-Y864 WeakPolarHBondContact CB-O 3.4Å; R773-Y864 PolarHBondContact N-O 2.91Å; F774-Y864 WeakPolarHBondContact CB-O 3.49Å; F774-Y864 PolarHBondContact N-O 3.17Å; F774-Y864 PolarHBondContact O-N 3.33Å; I776-Y864 HydrophobicContact CD1-CD2 4.34Å; Q846-Y864 VanDerWaalsContact CD-OH 3.26Å; Q846-Y864 WeakPolarHBondContact CG-OH 3.38Å; Q846-Y864 PolarHBondContact NE2-OH 3.43Å; E850-Y864 PolarHBondContact OE1-OH 3.11Å; T862-Y864 HydrophobicContact CG2-CE2 4.48Å; Y864-D869 HydrophobicContact CD1-CB 3.9Å; Y864-D869 HydrophobicContact CE1-CB 4.45Å; Y864-L873 HydrophobicContact CD2-CD2 3.67Å; Y864-L873 HydrophobicContact CE2-CD2 3.14Å; Y864-L873 HydrophobicContact CE2-CG 4.24Å
865	D	88	Confident	91.7	Very high	52 Å²	52	38.8 Å²	38.8	28%	0.278	20%	0.203	S	C	.	.	S	Bend	trans	-87.2	-32.8	-175.6	-164.5	49.1	0	0	0	113.4	Y772 F774	Y772-D865 HydrophobicContact CD1-CB 3.9Å; Y772-D865 HydrophobicContact CG-CB 4.25Å; F774-D865 VanDerWaalsContact CD2-O 3.3Å; F774-D865 WeakPolarHBondContact CD2-O 2.87Å; F774-D865 WeakPolarHBondContact CE2-O 3.36Å
866	S	88.6	Confident	91.8	Very high	38 Å²	38	41.2 Å²	41.2	27%	0.266	22%	0.216	S	C	.	.	S	Bend	trans	-107	143.5	177	98.2	0	0	0	0	111.6	F774 K868 D869 A870	F774-S866 VanDerWaalsContact CD2-C 3.5Å; S866-K868 VanDerWaalsContact C-N 3.25Å; S866-K868 PolarHBondContact O-N 3.16Å; S866-D869 WeakPolarHBondContact CB-OD2 3.41Å; S866-D869 WeakPolarHBondContact OG-CB 3.46Å; S866-D869 PolarHBondContact OG-N 3.24Å; S866-D869 PolarHBondContact OG-OD2 2.87Å; S866-A870 VanDerWaalsContact O-CB 3.31Å; S866-A870 WeakPolarHBondContact O-CB 3.39Å; S866-A870 PolarHBondContact O-N 3.3Å; S866-A870 VanDerWaalsContact O-N 3.09Å
867	A	86.8	Confident	92.1	Very high	28 Å²	28	38.1 Å²	38.1	23%	0.231	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-31.9	175.8	0	0	0	0	0	111.4	F774 T871	F774-A867 HydrophobicContact CD2-CB 4.43Å; F774-A867 HydrophobicContact CE2-CB 4.02Å; F774-A867 VanDerWaalsContact CE2-N 3.28Å; F774-A867 HydrophobicContact CZ-CB 4.08Å; A867-T871 WeakPolarHBondContact O-CB 3.5Å; A867-T871 PolarHBondContact O-N 3.27Å; A867-T871 PolarHBondContact O-OG1 3.45Å
868	K	89.7	Confident	92.3	Very high	170 Å²	170	38.8 Å²	38.8	74%	0.739	21%	0.21	S	C	*	.	H	α-helix	trans	-64.8	-49.1	178.1	-176.7	-173.5	174.7	-170.5	0	111.5	S866 A870 T871 A872	S866-K868 VanDerWaalsContact C-N 3.25Å; S866-K868 PolarHBondContact O-N 3.16Å; K868-A870 VanDerWaalsContact C-N 3.32Å; K868-T871 PolarHBondContact O-N 3.39Å; K868-A872 PolarHBondContact O-N 3.03Å
869	D	90.5	Very high	92.6	Very high	84 Å²	84	40 Å²	40	45%	0.449	21%	0.214	S	C	.	.	H	α-helix	trans	-69.5	-35.9	-179.7	-55	-34.2	0	0	0	110.7	Y864 S866 A872 L873	Y864-D869 HydrophobicContact CD1-CB 3.9Å; Y864-D869 HydrophobicContact CE1-CB 4.45Å; S866-D869 WeakPolarHBondContact CB-OD2 3.41Å; S866-D869 WeakPolarHBondContact OG-CB 3.46Å; S866-D869 PolarHBondContact OG-N 3.24Å; S866-D869 PolarHBondContact OG-OD2 2.87Å; D869-A872 PolarHBondContact O-N 3.22Å; D869-L873 WeakPolarHBondContact O-CB 3.49Å; D869-L873 PolarHBondContact O-N 3.48Å
870	A	91.7	Very high	92.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-45.6	171.2	0	0	0	0	0	111.8	I776 S866 K868 L873 V874 L898	I776-A870 HydrophobicContact CD1-CB 3.97Å; S866-A870 VanDerWaalsContact O-CB 3.31Å; S866-A870 WeakPolarHBondContact O-CB 3.39Å; S866-A870 PolarHBondContact O-N 3.3Å; S866-A870 VanDerWaalsContact O-N 3.09Å; K868-A870 VanDerWaalsContact C-N 3.32Å; A870-L873 PolarHBondContact O-N 2.9Å; A870-V874 VanDerWaalsContact O-CG2 3.28Å; A870-V874 WeakPolarHBondContact O-CG2 3.47Å; A870-V874 PolarHBondContact O-N 3.47Å; A870-L898 HydrophobicContact CB-CD1 3.65Å; A870-L898 HydrophobicContact CB-CD2 4.38Å
871	T	90.4	Very high	92.9	Very high	25 Å²	25	38.3 Å²	38.3	15%	0.153	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-46.9	176.5	-65.3	0	0	0	0	111.4	A867 K868 L873 V874 H875 L898 M901	A867-T871 WeakPolarHBondContact O-CB 3.5Å; A867-T871 PolarHBondContact O-N 3.27Å; A867-T871 PolarHBondContact O-OG1 3.45Å; K868-T871 PolarHBondContact O-N 3.39Å; T871-L873 VanDerWaalsContact C-N 3.31Å; T871-L873 PolarHBondContact O-N 3.07Å; T871-V874 PolarHBondContact O-N 3.41Å; T871-H875 PolarHBondContact O-CD2 3.41Å; T871-H875 PolarHBondContact O-N 3.5Å; T871-H875 VanDerWaalsContact O-N 3.09Å; T871-L898 WeakPolarHBondContact OG1-CD2 3.47Å; T871-M901 HydrophobicContact CG2-CE 3.88Å; T871-M901 HydrophobicContact CG2-SD 3.55Å; T871-M901 VanDerWaalsContact CG2-SD 3.55Å
872	A	91.7	Very high	92.8	Very high	48 Å²	48	44.8 Å²	44.8	40%	0.397	24%	0.235	S	C	.	.	H	α-helix	trans	-58.5	-45.1	177.8	0	0	0	0	0	111.3	K868 D869 V874 H875 D876	K868-A872 PolarHBondContact O-N 3.03Å; D869-A872 PolarHBondContact O-N 3.22Å; A872-V874 PolarHBondContact O-N 2.66Å; A872-H875 PolarHBondContact O-N 3.14Å; A872-D876 PolarHBondContact O-N 3.35Å
873	L	93.9	Very high	92.8	Very high	4 Å²	4	48 Å²	48	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-43	175.5	-178.6	76.2	0	0	0	112.4	I776 Q846 A847 E850 T862 Y864 D869 A870 T871 H875 D876 L877	I776-L873 HydrophobicContact CD1-CD2 4.04Å; Q846-L873 HydrophobicContact CB-CD1 4.37Å; Q846-L873 HydrophobicContact CG-CD1 3.88Å; A847-L873 HydrophobicContact CB-CD1 4.21Å; E850-L873 HydrophobicContact CG-CD1 3.95Å; E850-L873 HydrophobicContact CG-CD2 4.26Å; T862-L873 HydrophobicContact CG2-CD2 4.13Å; Y864-L873 HydrophobicContact CD2-CD2 3.67Å; Y864-L873 HydrophobicContact CE2-CD2 3.14Å; Y864-L873 HydrophobicContact CE2-CG 4.24Å; D869-L873 WeakPolarHBondContact O-CB 3.49Å; D869-L873 PolarHBondContact O-N 3.48Å; A870-L873 PolarHBondContact O-N 2.9Å; T871-L873 VanDerWaalsContact C-N 3.31Å; T871-L873 PolarHBondContact O-N 3.07Å; L873-H875 VanDerWaalsContact C-N 3.29Å; L873-H875 PolarHBondContact O-N 2.94Å; L873-D876 PolarHBondContact O-N 3.01Å; L873-L877 HydrophobicContact CD1-CD1 4.37Å; L873-L877 HydrophobicContact CD1-CG 4.31Å; L873-L877 HydrophobicContact CD2-CD1 3.93Å; L873-L877 HydrophobicContact CG-CD1 3.71Å; L873-L877 HydrophobicContact CG-CG 4.09Å; L873-L877 VanDerWaalsContact O-CB 3.31Å; L873-L877 WeakPolarHBondContact O-CB 3.42Å; L873-L877 VanDerWaalsContact O-CG 3.25Å; L873-L877 WeakPolarHBondContact O-CG 3.46Å; L873-L877 PolarHBondContact O-N 3.38Å
874	V	93	Very high	92.9	Very high	13 Å²	13	48.1 Å²	48.1	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-59.1	-43.9	178.3	168.8	0	0	0	0	110.3	I776 A870 T871 A872 L877 V878 W891 L898 V902	I776-V874 HydrophobicContact CD1-CG2 4.21Å; I776-V874 HydrophobicContact CG2-CG2 4.3Å; A870-V874 VanDerWaalsContact O-CG2 3.28Å; A870-V874 WeakPolarHBondContact O-CG2 3.47Å; A870-V874 PolarHBondContact O-N 3.47Å; T871-V874 PolarHBondContact O-N 3.41Å; A872-V874 PolarHBondContact O-N 2.66Å; V874-L877 PolarHBondContact O-N 3.37Å; V874-V878 VanDerWaalsContact O-CG2 3.29Å; V874-V878 WeakPolarHBondContact O-CG2 3.48Å; V874-V878 PolarHBondContact O-N 3.44Å; V874-W891 HydrophobicContact CB-CH2 4.45Å; V874-W891 HydrophobicContact CB-CZ3 4.3Å; V874-W891 HydrophobicContact CG1-CE3 4.29Å; V874-W891 HydrophobicContact CG1-CH2 3.94Å; V874-W891 HydrophobicContact CG1-CZ2 4.37Å; V874-W891 HydrophobicContact CG1-CZ3 3.92Å; V874-W891 HydrophobicContact CG2-CE3 4.34Å; V874-W891 HydrophobicContact CG2-CH2 4.37Å; V874-W891 HydrophobicContact CG2-CZ3 3.77Å; V874-L898 HydrophobicContact CG2-CD2 4.42Å; V874-V902 HydrophobicContact CG1-CG2 4.09Å
875	H	92.1	Very high	93	Very high	113 Å²	113	46.9 Å²	46.9	52%	0.523	25%	0.248	S	C	.	.	H	α-helix	trans	-61.3	-47.8	174.9	-70.8	-62.2	0	0	0	112.1	T871 A872 L873 L877 V878 E879	T871-H875 PolarHBondContact O-CD2 3.41Å; T871-H875 PolarHBondContact O-N 3.5Å; T871-H875 VanDerWaalsContact O-N 3.09Å; A872-H875 PolarHBondContact O-N 3.14Å; L873-H875 VanDerWaalsContact C-N 3.29Å; L873-H875 PolarHBondContact O-N 2.94Å; H875-L877 VanDerWaalsContact C-N 3.32Å; H875-L877 PolarHBondContact O-N 3.34Å; H875-V878 PolarHBondContact O-N 3.42Å; H875-E879 PolarHBondContact O-N 3.49Å
876	D	95.9	Very high	93.4	Very high	59 Å²	59	44.5 Å²	44.5	32%	0.316	24%	0.235	S	C	.	.	H	α-helix	trans	-62.3	-38.5	178.3	-72.2	-7.6	0	0	0	112.3	F844 A847 A872 L873 L880	F844-D876 HydrophobicContact CD1-CB 4.07Å; A847-D876 HydrophobicContact CB-CB 3.82Å; A872-D876 PolarHBondContact O-N 3.35Å; L873-D876 PolarHBondContact O-N 3.01Å; D876-L880 WeakPolarHBondContact O-CB 3.46Å; D876-L880 PolarHBondContact O-N 3.44Å
877	L	96.3	Very high	93.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.2	-43.5	176.8	-78.3	167.8	0	0	0	111.7	A847 E850 I851 L860 L873 V874 H875 M881 L888 W891	A847-L877 HydrophobicContact CB-CD2 3.79Å; A847-L877 HydrophobicContact CB-CG 3.92Å; E850-L877 HydrophobicContact CB-CD2 4.48Å; I851-L877 HydrophobicContact CD1-CD2 3.93Å; I851-L877 HydrophobicContact CG1-CD2 3.9Å; L860-L877 HydrophobicContact CD2-CD1 3.67Å; L860-L877 HydrophobicContact CD2-CD2 3.76Å; L860-L877 HydrophobicContact CD2-CG 4.32Å; L873-L877 HydrophobicContact CD1-CD1 4.37Å; L873-L877 HydrophobicContact CD1-CG 4.31Å; L873-L877 HydrophobicContact CD2-CD1 3.93Å; L873-L877 HydrophobicContact CG-CD1 3.71Å; L873-L877 HydrophobicContact CG-CG 4.09Å; L873-L877 VanDerWaalsContact O-CB 3.31Å; L873-L877 WeakPolarHBondContact O-CB 3.42Å; L873-L877 VanDerWaalsContact O-CG 3.25Å; L873-L877 WeakPolarHBondContact O-CG 3.46Å; L873-L877 PolarHBondContact O-N 3.38Å; V874-L877 PolarHBondContact O-N 3.37Å; H875-L877 VanDerWaalsContact C-N 3.32Å; H875-L877 PolarHBondContact O-N 3.34Å; L877-M881 VanDerWaalsContact O-CB 3.31Å; L877-M881 WeakPolarHBondContact O-CB 3.42Å; L877-M881 VanDerWaalsContact O-CG 3.23Å; L877-M881 WeakPolarHBondContact O-CG 3.44Å; L877-M881 PolarHBondContact O-N 2.99Å; L877-L888 HydrophobicContact CB-CD1 4.06Å; L877-W891 HydrophobicContact CB-CH2 4.15Å; L877-W891 HydrophobicContact CD1-CH2 4.23Å
878	V	94.2	Very high	93.9	Very high	58 Å²	58	45.2 Å²	45.2	35%	0.352	24%	0.235	S	C	.	.	H	α-helix	trans	-62.9	-50.6	176.4	170.7	0	0	0	0	109.8	V874 H875 M881 Q882 W891	V874-V878 VanDerWaalsContact O-CG2 3.29Å; V874-V878 WeakPolarHBondContact O-CG2 3.48Å; V874-V878 PolarHBondContact O-N 3.44Å; H875-V878 PolarHBondContact O-N 3.42Å; V878-M881 PolarHBondContact O-N 3.29Å; V878-Q882 WeakPolarHBondContact O-CB 3.37Å; V878-Q882 PolarHBondContact O-N 2.85Å; V878-W891 HydrophobicContact CG2-CH2 4.29Å; V878-W891 HydrophobicContact CG2-CZ2 3.56Å
879	E	95.4	Very high	93.9	Very high	80 Å²	80	38.4 Å²	38.4	37%	0.374	21%	0.207	S	C	.	.	H	α-helix	trans	-63.2	-47.3	-178.8	-167.1	-172.7	150.8	0	0	111.4	K843 F844 H875 Q882 Q883	K843-E879 IonicContact NZ-OE1 2.8Å; K843-E879 PolarHBondContact NZ-OE1 3.19Å; F844-E879 HydrophobicContact CE1-CB 4Å; F844-E879 HydrophobicContact CE1-CG 4.1Å; F844-E879 HydrophobicContact CZ-CB 4.06Å; F844-E879 VanDerWaalsContact CZ-CD 3.47Å; F844-E879 HydrophobicContact CZ-CG 3.75Å; F844-E879 WeakPolarHBondContact CZ-OE1 3.23Å; H875-E879 PolarHBondContact O-N 3.49Å; E879-Q882 PolarHBondContact O-N 3.06Å; E879-Q883 WeakPolarHBondContact O-CG 3.4Å; E879-Q883 PolarHBondContact O-N 3.45Å; E879-Q883 PolarHBondContact OE1-NE2 3.22Å; E879-Q883 VanDerWaalsContact OE1-NE2 3.12Å
880	L	97	Very high	93.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-54.6	-59.9	176.3	171.7	61.3	0	0	0	110.1	H836 N840 F844 A847 A848 I851 D876 Q882 Q883 G884	H836-L880 PolarHBondContact NE2-O 2.9Å; N840-L880 HydrophobicContact CB-CD1 3.35Å; F844-L880 HydrophobicContact CB-CB 4.31Å; F844-L880 HydrophobicContact CB-CD1 4.37Å; F844-L880 HydrophobicContact CB-CD2 4.24Å; F844-L880 HydrophobicContact CD1-CB 4.46Å; F844-L880 HydrophobicContact CD2-CB 4.02Å; F844-L880 HydrophobicContact CD2-CD1 3.8Å; F844-L880 HydrophobicContact CD2-CG 4.44Å; F844-L880 HydrophobicContact CE2-CB 4.37Å; F844-L880 HydrophobicContact CE2-CD1 4.42Å; F844-L880 HydrophobicContact CG-CB 4.04Å; F844-L880 HydrophobicContact CG-CD1 4.36Å; A847-L880 HydrophobicContact CB-CD2 3.94Å; A848-L880 HydrophobicContact CB-CD2 4.26Å; I851-L880 HydrophobicContact CG1-CD2 4.37Å; D876-L880 WeakPolarHBondContact O-CB 3.46Å; D876-L880 PolarHBondContact O-N 3.44Å; L880-Q882 VanDerWaalsContact C-N 3.3Å; L880-Q882 PolarHBondContact O-N 2.67Å; L880-Q883 WeakPolarHBondContact O-CB 3.3Å; L880-Q883 PolarHBondContact O-N 3.04Å; L880-Q883 VanDerWaalsContact O-N 3.16Å; L880-G884 PolarHBondContact O-N 2.93Å
881	M	96.7	Very high	93.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-35.6	-173.9	-66.2	-61.1	-71.9	0	0	112.2	V780 V833 I851 L877 V878 Q883 G884 G885 F886 L888	V780-M881 HydrophobicContact CG2-CE 4.06Å; V833-M881 HydrophobicContact CG1-CE 3.91Å; V833-M881 HydrophobicContact CG1-SD 4.35Å; V833-M881 HydrophobicContact CG2-CE 4.34Å; I851-M881 HydrophobicContact CD1-CE 4.3Å; I851-M881 HydrophobicContact CD1-CG 4.14Å; I851-M881 HydrophobicContact CD1-SD 3.67Å; I851-M881 HydrophobicContact CG1-SD 3.94Å; L877-M881 VanDerWaalsContact O-CB 3.31Å; L877-M881 WeakPolarHBondContact O-CB 3.42Å; L877-M881 VanDerWaalsContact O-CG 3.23Å; L877-M881 WeakPolarHBondContact O-CG 3.44Å; L877-M881 PolarHBondContact O-N 2.99Å; V878-M881 PolarHBondContact O-N 3.29Å; M881-Q883 VanDerWaalsContact C-N 3.34Å; M881-Q883 PolarHBondContact O-N 2.93Å; M881-G884 PolarHBondContact O-N 2.92Å; M881-G884 VanDerWaalsContact O-N 3.09Å; M881-G885 PolarHBondContact O-N 2.81Å; M881-F886 CarbonylContact C-O 3.51Å; M881-F886 HydrophobicContact CB-CB 4.15Å; M881-F886 HydrophobicContact CE-CB 3.74Å; M881-F886 HydrophobicContact CE-CD2 4.19Å; M881-F886 HydrophobicContact CE-CG 4Å; M881-F886 WeakPolarHBondContact O-CA 3.47Å; M881-F886 WeakPolarHBondContact O-CB 3.37Å; M881-F886 PolarHBondContact O-N 2.96Å; M881-F886 VanDerWaalsContact O-O 3.09Å; M881-L888 HydrophobicContact CB-CD1 4.18Å; M881-L888 HydrophobicContact CB-CG 4.05Å; M881-L888 HydrophobicContact CG-CD1 3.84Å; M881-L888 HydrophobicContact CG-CD2 4.28Å; M881-L888 HydrophobicContact CG-CG 4.03Å
882	Q	95.4	Very high	93.5	Very high	137 Å²	137	41 Å²	41	64%	0.64	21%	0.213	S	C	*	.	H	α-helix	trans	-64.7	-36.9	177	-172.7	173.9	17.8	0	0	112.2	V878 E879 L880 G884 G885 F886	V878-Q882 WeakPolarHBondContact O-CB 3.37Å; V878-Q882 PolarHBondContact O-N 2.85Å; E879-Q882 PolarHBondContact O-N 3.06Å; L880-Q882 VanDerWaalsContact C-N 3.3Å; L880-Q882 PolarHBondContact O-N 2.67Å; Q882-G884 PolarHBondContact O-N 2.87Å; Q882-G885 PolarHBondContact O-N 3.3Å; Q882-F886 PolarHBondContact N-O 3.07Å
883	Q	95.4	Very high	93.6	Very high	68 Å²	68	38.8 Å²	38.8	32%	0.318	20%	0.195	S	C	.	.	H	α-helix	trans	-62.3	-25.9	173.4	-74.2	177.8	26.8	0	0	112.6	F644 E879 L880 M881 G885	F644-Q883 WeakPolarHBondContact CZ-O 3.39Å; E879-Q883 WeakPolarHBondContact O-CG 3.4Å; E879-Q883 PolarHBondContact O-N 3.45Å; E879-Q883 PolarHBondContact OE1-NE2 3.22Å; E879-Q883 VanDerWaalsContact OE1-NE2 3.12Å; L880-Q883 WeakPolarHBondContact O-CB 3.3Å; L880-Q883 PolarHBondContact O-N 3.04Å; L880-Q883 VanDerWaalsContact O-N 3.16Å; M881-Q883 VanDerWaalsContact C-N 3.34Å; M881-Q883 PolarHBondContact O-N 2.93Å; Q883-G885 VanDerWaalsContact C-N 3.34Å
884	G	95.8	Very high	93.5	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.01	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	0	173	0	0	0	0	0	114.7	E647 H836 L880 M881 Q882 F886	E647-G884 CarbonylContact O-C 3.51Å; H836-G884 WeakPolarHBondContact CE1-CA 3.46Å; H836-G884 PolarHBondContact CE1-N 3.02Å; H836-G884 PolarHBondContact NE2-N 2.68Å; L880-G884 PolarHBondContact O-N 2.93Å; M881-G884 PolarHBondContact O-N 2.92Å; M881-G884 VanDerWaalsContact O-N 3.09Å; Q882-G884 PolarHBondContact O-N 2.87Å; G884-F886 WeakPolarHBondContact O-CD2 3.37Å; G884-F886 WeakPolarHBondContact O-CE2 3.41Å
885	G	95.4	Very high	93.2	Very high	6 Å²	6	40.3 Å²	40.3	6%	0.062	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	16.6	-174.3	0	0	0	0	0	114.3	E647 R648 Q786 M881 Q882 Q883	E647-G885 VanDerWaalsContact O-CA 3.26Å; E647-G885 WeakPolarHBondContact O-CA 3.44Å; E647-G885 PolarHBondContact O-N 2.88Å; R648-G885 PolarHBondContact NH2-O 3.48Å; R648-G885 VanDerWaalsContact NH2-O 3.15Å; Q786-G885 PolarHBondContact OE1-O 2.76Å; Q786-G885 VanDerWaalsContact OE1-O 3.12Å; M881-G885 PolarHBondContact O-N 2.81Å; Q882-G885 PolarHBondContact O-N 3.3Å; Q883-G885 VanDerWaalsContact C-N 3.34Å
886	F	96.1	Very high	92.6	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.009	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-102.5	126.6	178.9	-61.4	-77.8	0	0	0	111.4	Y649 V780 Q786 I787 V832 V833 M881 Q882 G884	Y649-F886 HydrophobicContact CD2-CE2 4.31Å; V780-F886 HydrophobicContact CG1-CB 4.17Å; V780-F886 HydrophobicContact CG1-CD1 3.87Å; V780-F886 HydrophobicContact CG1-CG 4.43Å; Q786-F886 HydrophobicContact CB-CD1 3.7Å; Q786-F886 HydrophobicContact CB-CE1 3.81Å; Q786-F886 HydrophobicContact CG-CD1 4.13Å; I787-F886 HydrophobicContact CD1-CE1 4.27Å; I787-F886 HydrophobicContact CD1-CZ 4.29Å; I787-F886 HydrophobicContact CG1-CE1 3.92Å; I787-F886 HydrophobicContact CG1-CZ 3.93Å; V832-F886 HydrophobicContact CG1-CE2 4.06Å; V832-F886 HydrophobicContact CG1-CZ 3.66Å; V833-F886 HydrophobicContact CG2-CD1 4.28Å; V833-F886 HydrophobicContact CG2-CD2 4.37Å; V833-F886 HydrophobicContact CG2-CE1 3.83Å; V833-F886 HydrophobicContact CG2-CE2 3.93Å; V833-F886 HydrophobicContact CG2-CZ 3.65Å; M881-F886 CarbonylContact C-O 3.51Å; M881-F886 HydrophobicContact CB-CB 4.15Å; M881-F886 HydrophobicContact CE-CB 3.74Å; M881-F886 HydrophobicContact CE-CD2 4.19Å; M881-F886 HydrophobicContact CE-CG 4Å; M881-F886 WeakPolarHBondContact O-CA 3.47Å; M881-F886 WeakPolarHBondContact O-CB 3.37Å; M881-F886 PolarHBondContact O-N 2.96Å; M881-F886 VanDerWaalsContact O-O 3.09Å; Q882-F886 PolarHBondContact N-O 3.07Å; G884-F886 WeakPolarHBondContact O-CD2 3.37Å; G884-F886 WeakPolarHBondContact O-CE2 3.41Å
887	T	92.8	Very high	91.8	Very high	64 Å²	64	41 Å²	41	39%	0.393	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-97.8	120.5	176.6	-51.4	0	0	0	0	110.3	Q781 T889	Q781-T887 WeakPolarHBondContact CB-O 3.12Å; Q781-T887 PolarHBondContact N-O 3.05Å; T887-T889 HydrophobicContact CG2-CG2 4Å
888	L	93	Very high	91	Very high	18 Å²	18	41.4 Å²	41.4	9%	0.094	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	133	171.1	-66.1	178.7	0	0	0	110.4	D779 V780 L877 M881 W891	D779-L888 CarbonylContact O-C 3.58Å; D779-L888 WeakPolarHBondContact O-CA 3.48Å; V780-L888 HydrophobicContact CG2-CD2 3.77Å; L877-L888 HydrophobicContact CB-CD1 4.06Å; M881-L888 HydrophobicContact CB-CD1 4.18Å; M881-L888 HydrophobicContact CB-CG 4.05Å; M881-L888 HydrophobicContact CG-CD1 3.84Å; M881-L888 HydrophobicContact CG-CD2 4.28Å; M881-L888 HydrophobicContact CG-CG 4.03Å; L888-W891 HydrophobicContact CB-CZ2 3.54Å; L888-W891 HydrophobicContact CD1-CH2 3.78Å; L888-W891 HydrophobicContact CD1-CZ2 3.45Å; L888-W891 VanDerWaalsContact CD1-CZ2 3.45Å; L888-W891 HydrophobicContact CG-CZ2 4.15Å; L888-W891 PolarHBondContact O-NE1 3.39Å
889	T	89.5	Confident	90.3	Very high	27 Å²	27	39.7 Å²	39.7	17%	0.166	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	179.3	-175.2	62.3	0	0	0	0	111.1	D779 Q781 T887 W891	D779-T889 PolarHBondContact N-O 3.01Å; D779-T889 PolarHBondContact O-N 3.04Å; D779-T889 PolarHBondContact O-OG1 3.23Å; Q781-T889 HydrophobicContact CB-CG2 3.79Å; Q781-T889 HydrophobicContact CG-CG2 4.31Å; T887-T889 HydrophobicContact CG2-CG2 4Å; T889-W891 PolarHBondContact O-N 3.31Å
890	K	84.2	Confident	89.3	Confident	127 Å²	127	40.1 Å²	40.1	55%	0.552	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	52.7	39	178.5	-53	179.5	-164.3	145.4	0	113	D779 A892	D779-K890 HydrophobicContact CB-CB 4.17Å; D779-K890 HydrophobicContact CB-CD 3.94Å; D779-K890 HydrophobicContact CB-CG 4.31Å; D779-K890 VanDerWaalsContact CG-NZ 3.26Å; D779-K890 IonicContact OD1-NZ 3.84Å; D779-K890 PolarHBondContact OD1-NZ 3.2Å; D779-K890 IonicContact OD2-NZ 3.93Å; D779-K890 PolarHBondContact OD2-NZ 3.48Å; K890-A892 PolarHBondContact O-N 3.27Å
891	W	90.4	Very high	87.9	Confident	28 Å²	28	44.6 Å²	44.6	11%	0.106	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	137.7	180	-71.2	89.4	0	0	0	110.8	I776 Q777 A778 V874 L877 V878 L888 T889 V902	I776-W891 HydrophobicContact CG2-CE3 4.03Å; I776-W891 HydrophobicContact CG2-CZ3 3.72Å; Q777-W891 CarbonylContact O-C 3.55Å; Q777-W891 VanDerWaalsContact O-CA 3.29Å; Q777-W891 WeakPolarHBondContact O-CA 3.41Å; A778-W891 HydrophobicContact CB-CD2 3.67Å; A778-W891 HydrophobicContact CB-CE3 3.67Å; A778-W891 HydrophobicContact CB-CG 4.28Å; A778-W891 HydrophobicContact CB-CH2 4.07Å; A778-W891 HydrophobicContact CB-CZ2 4.09Å; A778-W891 HydrophobicContact CB-CZ3 3.84Å; V874-W891 HydrophobicContact CB-CH2 4.45Å; V874-W891 HydrophobicContact CB-CZ3 4.3Å; V874-W891 HydrophobicContact CG1-CE3 4.29Å; V874-W891 HydrophobicContact CG1-CH2 3.94Å; V874-W891 HydrophobicContact CG1-CZ2 4.37Å; V874-W891 HydrophobicContact CG1-CZ3 3.92Å; V874-W891 HydrophobicContact CG2-CE3 4.34Å; V874-W891 HydrophobicContact CG2-CH2 4.37Å; V874-W891 HydrophobicContact CG2-CZ3 3.77Å; L877-W891 HydrophobicContact CB-CH2 4.15Å; L877-W891 HydrophobicContact CD1-CH2 4.23Å; V878-W891 HydrophobicContact CG2-CH2 4.29Å; V878-W891 HydrophobicContact CG2-CZ2 3.56Å; L888-W891 HydrophobicContact CB-CZ2 3.54Å; L888-W891 HydrophobicContact CD1-CH2 3.78Å; L888-W891 HydrophobicContact CD1-CZ2 3.45Å; L888-W891 VanDerWaalsContact CD1-CZ2 3.45Å; L888-W891 HydrophobicContact CG-CZ2 4.15Å; L888-W891 PolarHBondContact O-NE1 3.39Å; T889-W891 PolarHBondContact O-N 3.31Å; W891-V902 HydrophobicContact CB-CB 3.68Å; W891-V902 HydrophobicContact CB-CG1 3.33Å; W891-V902 HydrophobicContact CB-CG2 4.06Å; W891-V902 HydrophobicContact CD2-CG1 4Å; W891-V902 HydrophobicContact CD2-CG2 4.35Å; W891-V902 HydrophobicContact CG-CB 3.98Å; W891-V902 HydrophobicContact CG-CG1 3.19Å; W891-V902 HydrophobicContact CG-CG2 4.15Å
892	A	90.3	Very high	86.5	Confident	7 Å²	7	45.5 Å²	45.5	6%	0.058	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	136.4	178.7	0	0	0	0	0	111.4	Q777 K890 L915	Q777-A892 PolarHBondContact N-O 3.37Å; Q777-A892 PolarHBondContact O-N 2.79Å; K890-A892 PolarHBondContact O-N 3.27Å; A892-L915 HydrophobicContact CB-CD2 3.46Å; A892-L915 VanDerWaalsContact CB-CD2 3.46Å
893	S	92.6	Very high	84.8	Confident	3 Å²	3	43 Å²	43	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	160.4	173.8	-170.1	0	0	0	0	111.9	G775 C895 L898 N899 R924	G775-S893 VanDerWaalsContact O-CA 3.29Å; G775-S893 WeakPolarHBondContact O-CA 3.42Å; G775-S893 WeakPolarHBondContact O-CB 3.24Å; G775-S893 PolarHBondContact O-OG 2.63Å; S893-C895 VanDerWaalsContact C-N 3.28Å; S893-C895 PolarHBondContact OG-N 3.01Å; S893-C895 VanDerWaalsContact OG-N 3.07Å; S893-L898 WeakPolarHBondContact OG-CD1 3.47Å; S893-N899 PolarHBondContact N-OD1 2.94Å; S893-N899 PolarHBondContact O-ND2 2.87Å; S893-N899 PolarHBondContact O-OD1 3.03Å; S893-R924 WeakPolarHBondContact O-CD 3.31Å
894	N	91.2	Very high	82.7	Confident	38 Å²	38	48.4 Å²	48.4	20%	0.203	25%	0.251	C	S	.	.	S	Bend	trans	-84.1	-0.7	163.2	65.2	-35.9	0	0	0	112.8	R773 F774 G775 W922 R924 D927	R773-N894 PolarHBondContact O-ND2 3.42Å; F774-N894 VanDerWaalsContact CA-OD1 3.31Å; F774-N894 WeakPolarHBondContact CA-OD1 3.35Å; G775-N894 PolarHBondContact N-OD1 2.79Å; N894-W922 HydrophobicContact CB-CZ2 3.84Å; N894-R924 HydrophobicContact CB-CB 4.41Å; N894-R924 VanDerWaalsContact CB-O 3.23Å; N894-R924 WeakPolarHBondContact CB-O 3.35Å; N894-D927 VanDerWaalsContact ND2-CG 3.31Å; N894-D927 PolarHBondContact ND2-OD1 3.16Å; N894-D927 PolarHBondContact ND2-OD2 3.24Å
895	C	87.8	Confident	80.4	Confident	11 Å²	11	55.3 Å²	55.3	7%	0.074	29%	0.287	C	S	.	.			trans	-94.1	123.1	169.4	-172.1	0	0	0	0	110.3	F774 S893 L897 L898 N899	F774-C895 HydrophobicContact CD1-CB 3.66Å; F774-C895 HydrophobicContact CE1-CB 4.03Å; S893-C895 VanDerWaalsContact C-N 3.28Å; S893-C895 PolarHBondContact OG-N 3.01Å; S893-C895 VanDerWaalsContact OG-N 3.07Å; C895-L897 VanDerWaalsContact C-N 3.34Å; C895-L897 PolarHBondContact O-N 2.93Å; C895-L898 HydrophobicContact CB-CB 4.05Å; C895-L898 HydrophobicContact CB-CD1 3.75Å; C895-L898 HydrophobicContact CB-CG 3.93Å; C895-L898 PolarHBondContact O-N 2.96Å; C895-N899 PolarHBondContact O-N 2.97Å; C895-N899 VanDerWaalsContact O-N 3.15Å; C895-N899 PolarHBondContact O-ND2 3.34Å
896	S	80.1	Confident	78.1	Confident	79 Å²	79	56.6 Å²	56.6	55%	0.552	30%	0.295	S	S	*	.	H	α-helix	trans	-60.4	-42.6	178	55.9	0	0	0	0	112.3	L898 N899 D900	S896-L898 VanDerWaalsContact C-N 3.28Å; S896-L898 PolarHBondContact O-N 3.09Å; S896-N899 PolarHBondContact O-N 2.82Å; S896-N899 VanDerWaalsContact O-N 3.08Å; S896-D900 VanDerWaalsContact O-CG 3.25Å; S896-D900 PolarHBondContact O-N 3.48Å
897	L	78.1	Confident	75.5	Confident	108 Å²	108	62.6 Å²	62.6	57%	0.565	34%	0.337	S	S	*	.	H	α-helix	trans	-58.1	-39.8	178.7	-64.9	172.2	0	0	0	112.4	C895 M901	C895-L897 VanDerWaalsContact C-N 3.34Å; C895-L897 PolarHBondContact O-N 2.93Å; L897-M901 WeakPolarHBondContact O-CG 3.17Å; L897-M901 PolarHBondContact O-N 3.38Å; L897-M901 VanDerWaalsContact O-N 3.15Å
898	L	79.9	Confident	73.2	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.037	35%	0.351	C	S	.	.	H	α-helix	trans	-70.3	-38.5	177	-70	173.4	0	0	0	111.7	A870 T871 V874 S893 C895 S896 M901 V902	A870-L898 HydrophobicContact CB-CD1 3.65Å; A870-L898 HydrophobicContact CB-CD2 4.38Å; T871-L898 WeakPolarHBondContact OG1-CD2 3.47Å; V874-L898 HydrophobicContact CG2-CD2 4.42Å; S893-L898 WeakPolarHBondContact OG-CD1 3.47Å; C895-L898 HydrophobicContact CB-CB 4.05Å; C895-L898 HydrophobicContact CB-CD1 3.75Å; C895-L898 HydrophobicContact CB-CG 3.93Å; C895-L898 PolarHBondContact O-N 2.96Å; S896-L898 VanDerWaalsContact C-N 3.28Å; S896-L898 PolarHBondContact O-N 3.09Å; L898-M901 PolarHBondContact O-N 3.17Å; L898-V902 WeakPolarHBondContact O-CG2 3.47Å; L898-V902 PolarHBondContact O-N 3.39Å
899	N	79.8	Confident	70.8	Confident	23 Å²	23	68.3 Å²	68.3	12%	0.123	37%	0.365	C	S	.	.	H	α-helix	trans	-64.4	-47	175.4	-66.2	-38.8	0	0	0	110.8	S893 C895 S896 M901 V902 E903	S893-N899 PolarHBondContact N-OD1 2.94Å; S893-N899 PolarHBondContact O-ND2 2.87Å; S893-N899 PolarHBondContact O-OD1 3.03Å; C895-N899 PolarHBondContact O-N 2.97Å; C895-N899 VanDerWaalsContact O-N 3.15Å; C895-N899 PolarHBondContact O-ND2 3.34Å; S896-N899 PolarHBondContact O-N 2.82Å; S896-N899 VanDerWaalsContact O-N 3.08Å; N899-M901 PolarHBondContact O-N 2.78Å; N899-V902 PolarHBondContact O-N 3.29Å; N899-V902 VanDerWaalsContact O-N 3.08Å; N899-E903 VanDerWaalsContact O-CB 3.31Å; N899-E903 WeakPolarHBondContact O-CB 3.35Å; N899-E903 WeakPolarHBondContact O-CG 3.23Å; N899-E903 PolarHBondContact O-N 3.33Å
900	D	74.7	Confident	68.7	Low	89 Å²	89	73.5 Å²	73.5	48%	0.476	39%	0.388	S	S	.	.	H	α-helix	trans	-61.9	-31.3	-179.6	-63.8	-22.2	0	0	0	112.6	S896 K904	S896-D900 VanDerWaalsContact O-CG 3.25Å; S896-D900 PolarHBondContact O-N 3.48Å; D900-K904 WeakPolarHBondContact O-CG 3.43Å
901	M	66.8	Low	66.8	Low	94 Å²	94	73.5 Å²	73.5	46%	0.463	40%	0.399	S	S	.	.	H	α-helix	trans	-67.5	-38.1	175.8	-78.8	174	165.3	0	0	112.3	T871 L897 L898 N899	T871-M901 HydrophobicContact CG2-CE 3.88Å; T871-M901 HydrophobicContact CG2-SD 3.55Å; T871-M901 VanDerWaalsContact CG2-SD 3.55Å; L897-M901 WeakPolarHBondContact O-CG 3.17Å; L897-M901 PolarHBondContact O-N 3.38Å; L897-M901 VanDerWaalsContact O-N 3.15Å; L898-M901 PolarHBondContact O-N 3.17Å; N899-M901 PolarHBondContact O-N 2.78Å
902	V	67.3	Low	65.2	Low	19 Å²	19	73.9 Å²	73.9	12%	0.115	41%	0.411	C	S	.	.	H	α-helix	trans	-101.4	-23.4	-173	-162.4	0	0	0	0	113.9	V874 W891 L898 N899 K904 D905 S906	V874-V902 HydrophobicContact CG1-CG2 4.09Å; W891-V902 HydrophobicContact CB-CB 3.68Å; W891-V902 HydrophobicContact CB-CG1 3.33Å; W891-V902 HydrophobicContact CB-CG2 4.06Å; W891-V902 HydrophobicContact CD2-CG1 4Å; W891-V902 HydrophobicContact CD2-CG2 4.35Å; W891-V902 HydrophobicContact CG-CB 3.98Å; W891-V902 HydrophobicContact CG-CG1 3.19Å; W891-V902 HydrophobicContact CG-CG2 4.15Å; L898-V902 WeakPolarHBondContact O-CG2 3.47Å; L898-V902 PolarHBondContact O-N 3.39Å; N899-V902 PolarHBondContact O-N 3.29Å; N899-V902 VanDerWaalsContact O-N 3.08Å; V902-K904 PolarHBondContact O-N 3.02Å; V902-D905 PolarHBondContact O-N 3.47Å; V902-D905 VanDerWaalsContact O-N 3.16Å; V902-S906 PolarHBondContact O-N 3.21Å; V902-S906 PolarHBondContact O-OG 2.87Å; V902-S906 VanDerWaalsContact O-OG 3.05Å
903	E	58.8	Low	64.2	Low	84 Å²	84	80.3 Å²	80.3	39%	0.393	44%	0.438	S	S	.	.	H	α-helix	trans	-65.2	-28.6	171.3	-75.6	-174.5	-170.2	0	0	111.6	N899 D905 S906	N899-E903 VanDerWaalsContact O-CB 3.31Å; N899-E903 WeakPolarHBondContact O-CB 3.35Å; N899-E903 WeakPolarHBondContact O-CG 3.23Å; N899-E903 PolarHBondContact O-N 3.33Å; E903-D905 PolarHBondContact O-N 2.98Å; E903-D905 VanDerWaalsContact O-N 3.17Å; E903-S906 PolarHBondContact O-N 2.94Å; E903-S906 VanDerWaalsContact O-N 3.08Å
904	K	52.5	Low	63.7	Low	182 Å²	182	83.4 Å²	83.4	79%	0.791	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.1	172.4	-78.9	-178.4	-176.8	-179.2	0	113.4	D900 V902	D900-K904 WeakPolarHBondContact O-CG 3.43Å; V902-K904 PolarHBondContact O-N 3.02Å
905	D	47.4	Very low	63.5	Low	145 Å²	145	83 Å²	83	78%	0.775	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-7.6	178.2	-71.6	-22.6	0	0	0	113.3	V902 E903	V902-D905 PolarHBondContact O-N 3.47Å; V902-D905 VanDerWaalsContact O-N 3.16Å; E903-D905 PolarHBondContact O-N 2.98Å; E903-D905 VanDerWaalsContact O-N 3.17Å
906	S	46.4	Very low	63.6	Low	34 Å²	34	87 Å²	87	24%	0.238	48%	0.475	C	S	.	.			trans	-117	104.7	-172.2	-56.3	0	0	0	0	111.5	V902 E903 E908	V902-S906 PolarHBondContact O-N 3.21Å; V902-S906 PolarHBondContact O-OG 2.87Å; V902-S906 VanDerWaalsContact O-OG 3.05Å; E903-S906 PolarHBondContact O-N 2.94Å; E903-S906 VanDerWaalsContact O-N 3.08Å; S906-E908 PolarHBondContact O-N 2.99Å; S906-E908 VanDerWaalsContact O-N 3.07Å
907	S	41.9	Very low	64.2	Low	127 Å²	127	83.2 Å²	83.2	89%	0.888	45%	0.449	S	S	*	.	S	Bend	trans	-72.5	8	176.6	50	0	0	0	0	115
908	E	45.1	Very low	64.9	Low	145 Å²	145	78.7 Å²	78.7	68%	0.678	43%	0.425	S	S	*	.			trans	-132.6	68.4	-171.1	-65.7	-177.5	172.1	0	0	112	S906 E910	S906-E908 PolarHBondContact O-N 2.99Å; S906-E908 VanDerWaalsContact O-N 3.07Å; E908-E910 PolarHBondContact O-N 3.46Å
909	S	42.2	Very low	65.4	Low	57 Å²	57	79.8 Å²	79.8	40%	0.399	44%	0.438	S	S	.	.			trans	-75.9	107.5	173.2	-61.9	0	0	0	0	110.6	T911	S909-T911 PolarHBondContact O-N 3.33Å
910	E	44.7	Very low	66.1	Low	136 Å²	136	78.7 Å²	78.7	64%	0.636	43%	0.432	S	S	*	.			trans	-62.3	90.1	149.5	-85.7	-163.6	174.9	0	0	106.6	E908 G912	E908-E910 PolarHBondContact O-N 3.46Å; E910-G912 PolarHBondContact O-N 3.27Å
911	T	45.8	Very low	66.9	Low	128 Å²	128	78 Å²	78	79%	0.785	42%	0.423	S	S	*	.			trans	-62.4	6.7	177.8	50.5	0	0	0	0	113.6	S909 K913	S909-T911 PolarHBondContact O-N 3.33Å; T911-K913 PolarHBondContact O-N 2.9Å
912	G	55.9	Low	68.2	Low	36 Å²	36	73.6 Å²	73.6	37%	0.371	40%	0.401	S	S	.	.			trans	-61	120.2	170.7	0	0	0	0	0	110.9	E910 V914 R924	E910-G912 PolarHBondContact O-N 3.27Å; G912-V914 PolarHBondContact O-N 3.07Å; G912-R924 PolarHBondContact O-NH2 2.9Å
913	K	68.3	Low	69.4	Low	142 Å²	142	73.7 Å²	73.7	62%	0.617	40%	0.401	S	S	*	.	S	Bend	trans	-59.6	-23.6	166.7	-67.9	-177	177	-176.5	0	112.1	T911 R924	T911-K913 PolarHBondContact O-N 2.9Å; K913-R924 PolarHBondContact O-N 3.34Å
914	V	82.4	Confident	70.9	Confident	67 Å²	67	71.4 Å²	71.4	41%	0.406	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.5	179.5	-176	0	0	0	0	109.7	G912 W921 W922 D923	G912-V914 PolarHBondContact O-N 3.07Å; V914-W921 HydrophobicContact CG1-CB 3.71Å; V914-W921 HydrophobicContact CG1-CD2 4.16Å; V914-W921 HydrophobicContact CG1-CG 3.82Å; V914-W922 CarbonylContact C-O 3.6Å; V914-W922 WeakPolarHBondContact CA-O 3.34Å; V914-D923 HydrophobicContact CG2-CB 4.23Å
915	L	88	Confident	72.6	Confident	29 Å²	29	65.8 Å²	65.8	15%	0.152	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	152.6	179	-173.3	62.4	0	0	0	110.8	Q777 A892 W921 W922	Q777-L915 HydrophobicContact CB-CD2 4.48Å; Q777-L915 HydrophobicContact CG-CD2 4.3Å; Q777-L915 VanDerWaalsContact OE1-CD2 3.28Å; A892-L915 HydrophobicContact CB-CD2 3.46Å; A892-L915 VanDerWaalsContact CB-CD2 3.46Å; L915-W921 CarbonylContact O-C 3.16Å; L915-W921 WeakPolarHBondContact O-CA 3.44Å; L915-W922 PolarHBondContact N-O 2.83Å; L915-W922 PolarHBondContact O-N 3.49Å
916	N	89.7	Confident	74.6	Confident	96 Å²	96	64.8 Å²	64.8	51%	0.513	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.2	167.2	-176.6	4.4	0	0	0	109.9	Q777 G919 L920	Q777-N916 PolarHBondContact NE2-O 3.34Å; N916-G919 VanDerWaalsContact OD1-CA 3.32Å; N916-G919 WeakPolarHBondContact OD1-CA 3.31Å; N916-G919 PolarHBondContact OD1-N 3.5Å; N916-L920 CarbonylContact C-O 3.55Å; N916-L920 WeakPolarHBondContact CA-O 3.19Å; N916-L920 PolarHBondContact OD1-O 2.78Å
917	T	92.5	Very high	76.8	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	102.6	179.2	-52.6	0	0	0	0	108.5	F769 Q777 V861 G919 L920	F769-T917 HydrophobicContact CD1-CG2 4.08Å; F769-T917 HydrophobicContact CE1-CG2 3.75Å; F769-T917 HydrophobicContact CZ-CG2 4.23Å; Q777-T917 PolarHBondContact OE1-OG1 2.94Å; V861-T917 HydrophobicContact CG1-CG2 3.61Å; V861-T917 HydrophobicContact CG2-CG2 4.11Å; T917-G919 PolarHBondContact O-N 2.71Å; T917-G919 VanDerWaalsContact O-N 3.07Å; T917-L920 PolarHBondContact N-O 2.67Å; T917-L920 PolarHBondContact O-N 3.17Å
918	L	92.2	Very high	79.3	Confident	13 Å²	13	59.4 Å²	59.4	7%	0.068	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	35.9	-180	-55.5	-179.9	0	0	0	114.6	L762 I765 L766 Y856 D859 V861 F955	L762-L918 HydrophobicContact CD1-CB 4.25Å; L762-L918 HydrophobicContact CG-CB 4.34Å; L762-L918 HydrophobicContact CG-CD1 4.48Å; I765-L918 HydrophobicContact CB-CD1 4.06Å; I765-L918 HydrophobicContact CG2-CD1 3.67Å; L766-L918 HydrophobicContact CD2-CB 4.11Å; L766-L918 HydrophobicContact CD2-CD1 4.3Å; L766-L918 HydrophobicContact CG-CB 4.47Å; L766-L918 HydrophobicContact CG-CD1 4.37Å; Y856-L918 HydrophobicContact CD1-CD2 3.83Å; Y856-L918 HydrophobicContact CG-CD2 4.03Å; D859-L918 HydrophobicContact CB-CD2 3.82Å; V861-L918 HydrophobicContact CB-CD1 4.39Å; V861-L918 HydrophobicContact CG2-CD1 4.19Å; V861-L918 HydrophobicContact CG2-CD2 4.38Å; V861-L918 HydrophobicContact CG2-CG 4.05Å; L918-F955 VanDerWaalsContact O-CE1 3.28Å; L918-F955 WeakPolarHBondContact O-CE1 3.22Å
919	G	90.8	Very high	81.7	Confident	30 Å²	30	52.6 Å²	52.6	31%	0.309	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.7	-7.7	178.4	0	0	0	0	0	115.1	N916 T917	N916-G919 VanDerWaalsContact OD1-CA 3.32Å; N916-G919 WeakPolarHBondContact OD1-CA 3.31Å; N916-G919 PolarHBondContact OD1-N 3.5Å; T917-G919 PolarHBondContact O-N 2.71Å; T917-G919 VanDerWaalsContact O-N 3.07Å
920	L	94.2	Very high	84.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	160.3	171.3	-65	179.3	0	0	0	111	L766 N916 T917 M929 V931 P957 W960	L766-L920 HydrophobicContact CD1-CD1 3.94Å; L766-L920 HydrophobicContact CD2-CD1 4.16Å; N916-L920 CarbonylContact C-O 3.55Å; N916-L920 WeakPolarHBondContact CA-O 3.19Å; N916-L920 PolarHBondContact OD1-O 2.78Å; T917-L920 PolarHBondContact N-O 2.67Å; T917-L920 PolarHBondContact O-N 3.17Å; L920-M929 HydrophobicContact CB-CE 3.86Å; L920-M929 HydrophobicContact CD1-CE 3.58Å; L920-M929 HydrophobicContact CG-CE 4.37Å; L920-V931 HydrophobicContact CD2-CG2 3.84Å; L920-P957 HydrophobicContact CD1-CG 4.08Å; L920-P957 HydrophobicContact CD2-CG 4.24Å; L920-P957 HydrophobicContact CG-CG 4.18Å; L920-W960 HydrophobicContact CD1-CH2 4.13Å; L920-W960 HydrophobicContact CD1-CZ3 4.18Å
921	W	93	Very high	86.4	Confident	75 Å²	75	43.9 Å²	43.9	28%	0.284	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.2	169.4	-78.2	-12.3	0	0	0	110.8	V914 L915 M929 A930 K932 M1005	V914-W921 HydrophobicContact CG1-CB 3.71Å; V914-W921 HydrophobicContact CG1-CD2 4.16Å; V914-W921 HydrophobicContact CG1-CG 3.82Å; L915-W921 CarbonylContact O-C 3.16Å; L915-W921 WeakPolarHBondContact O-CA 3.44Å; W921-M929 CarbonylContact O-C 3.6Å; W921-M929 WeakPolarHBondContact O-CA 3.34Å; W921-A930 PolarHBondContact N-O 3.24Å; W921-A930 PolarHBondContact O-N 3.02Å; W921-K932 HydrophobicContact CH2-CG 4.38Å; W921-K932 HydrophobicContact CZ2-CD 4.12Å; W921-K932 HydrophobicContact CZ2-CG 3.9Å; W921-M1005 HydrophobicContact CE3-CG 4.38Å; W921-M1005 HydrophobicContact CE3-SD 4.49Å; W921-M1005 HydrophobicContact CH2-CE 3.96Å; W921-M1005 HydrophobicContact CH2-SD 3.73Å; W921-M1005 HydrophobicContact CZ3-CE 3.44Å; W921-M1005 VanDerWaalsContact CZ3-CE 3.44Å; W921-M1005 HydrophobicContact CZ3-CG 3.83Å; W921-M1005 HydrophobicContact CZ3-SD 3.43Å; W921-M1005 WeakPolarHBondContact CZ3-SD 3.29Å
922	W	94	Very high	88.4	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	110.1	173.8	177.9	35.3	0	0	0	110.2	F769 Q777 N894 V914 L915 R924 D927 L928	F769-W922 HydrophobicContact CE1-CD2 4.12Å; F769-W922 HydrophobicContact CE1-CE3 4.27Å; F769-W922 HydrophobicContact CE1-CG 4.39Å; F769-W922 HydrophobicContact CE2-CH2 4.28Å; F769-W922 HydrophobicContact CE2-CZ3 4.31Å; F769-W922 AromaticContact CZ-CD2 3.76Å; F769-W922 HydrophobicContact CZ-CD2 3.76Å; F769-W922 AromaticContact CZ-CE2 3.91Å; F769-W922 AromaticContact CZ-CE3 3.63Å; F769-W922 HydrophobicContact CZ-CE3 3.63Å; F769-W922 HydrophobicContact CZ-CG 4.49Å; F769-W922 AromaticContact CZ-CH2 3.8Å; F769-W922 HydrophobicContact CZ-CH2 3.8Å; F769-W922 AromaticContact CZ-CZ2 3.93Å; F769-W922 HydrophobicContact CZ-CZ2 3.93Å; F769-W922 AromaticContact CZ-CZ3 3.65Å; F769-W922 HydrophobicContact CZ-CZ3 3.65Å; Q777-W922 HydrophobicContact CB-CZ3 4.39Å; N894-W922 HydrophobicContact CB-CZ2 3.84Å; V914-W922 CarbonylContact C-O 3.6Å; V914-W922 WeakPolarHBondContact CA-O 3.34Å; L915-W922 PolarHBondContact N-O 2.83Å; L915-W922 PolarHBondContact O-N 3.49Å; W922-R924 HydrophobicContact CD2-CG 3.87Å; W922-R924 HydrophobicContact CE3-CG 3.88Å; W922-R924 HydrophobicContact CH2-CG 4.19Å; W922-R924 HydrophobicContact CZ2-CG 4.17Å; W922-R924 HydrophobicContact CZ3-CG 4.04Å; W922-R924 PolarHBondContact O-N 3.12Å; W922-D927 PolarHBondContact NE1-OD1 3.32Å; W922-L928 CarbonylContact C-O 3.55Å; W922-L928 WeakPolarHBondContact CA-O 3.39Å
923	D	91.9	Very high	89.7	Confident	21 Å²	21	42.6 Å²	42.6	11%	0.112	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	104	167.8	178.9	-10	0	0	0	109	V914 S925 H926 D927 L928	V914-D923 HydrophobicContact CG2-CB 4.23Å; D923-S925 VanDerWaalsContact C-N 3.28Å; D923-S925 PolarHBondContact O-N 3.07Å; D923-S925 WeakPolarHBondContact OD1-CB 3.48Å; D923-S925 PolarHBondContact OD1-N 3.43Å; D923-S925 PolarHBondContact OD1-OG 2.87Å; D923-H926 PolarHBondContact OD1-N 3.3Å; D923-H926 IonicContact OD1-ND1 2.65Å; D923-H926 IonicContact OD2-CE1 3.37Å; D923-H926 IonicContact OD2-CG 2.64Å; D923-H926 IonicContact OD2-ND1 3.52Å; D923-H926 PolarHBondContact OD2-ND1 2.79Å; D923-D927 CarbonylContact O-C 3.6Å; D923-D927 WeakPolarHBondContact O-CA 3.47Å; D923-D927 PolarHBondContact O-N 3.43Å; D923-L928 HydrophobicContact CB-CB 4.32Å; D923-L928 PolarHBondContact N-O 2.86Å; D923-L928 PolarHBondContact O-N 2.91Å
924	R	90.3	Very high	90.6	Very high	37 Å²	37	36.6 Å²	36.6	14%	0.14	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-26.9	-177.6	-61.7	-179.1	-66.3	155.9	-8.8	112.6	S893 N894 G912 K913 W922	S893-R924 WeakPolarHBondContact O-CD 3.31Å; N894-R924 HydrophobicContact CB-CB 4.41Å; N894-R924 VanDerWaalsContact CB-O 3.23Å; N894-R924 WeakPolarHBondContact CB-O 3.35Å; G912-R924 PolarHBondContact O-NH2 2.9Å; K913-R924 PolarHBondContact O-N 3.34Å; W922-R924 HydrophobicContact CD2-CG 3.87Å; W922-R924 HydrophobicContact CE3-CG 3.88Å; W922-R924 HydrophobicContact CH2-CG 4.19Å; W922-R924 HydrophobicContact CZ2-CG 4.17Å; W922-R924 HydrophobicContact CZ3-CG 4.04Å; W922-R924 PolarHBondContact O-N 3.12Å
925	S	88.1	Confident	90.6	Very high	64 Å²	64	41.4 Å²	41.4	45%	0.448	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-35	-176	62.5	0	0	0	0	112.8	D923	D923-S925 VanDerWaalsContact C-N 3.28Å; D923-S925 PolarHBondContact O-N 3.07Å; D923-S925 WeakPolarHBondContact OD1-CB 3.48Å; D923-S925 PolarHBondContact OD1-N 3.43Å; D923-S925 PolarHBondContact OD1-OG 2.87Å
926	H	89.6	Confident	90.7	Very high	123 Å²	123	41.6 Å²	41.6	57%	0.569	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-2.8	176.9	-54.3	99.5	0	0	0	113.3	D923 L928	D923-H926 PolarHBondContact OD1-N 3.3Å; D923-H926 IonicContact OD1-ND1 2.65Å; D923-H926 IonicContact OD2-CE1 3.37Å; D923-H926 IonicContact OD2-CG 2.64Å; D923-H926 IonicContact OD2-ND1 3.52Å; D923-H926 PolarHBondContact OD2-ND1 2.79Å; H926-L928 VanDerWaalsContact C-N 3.31Å; H926-L928 HydrophobicContact CB-CD1 3.67Å; H926-L928 HydrophobicContact CB-CG 3.86Å; H926-L928 PolarHBondContact O-N 3Å
927	D	92.8	Very high	90.6	Very high	18 Å²	18	41.9 Å²	41.9	10%	0.096	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	43.6	-172.3	-159.5	33.1	0	0	0	114	N894 W922 D923 R1011	N894-D927 VanDerWaalsContact ND2-CG 3.31Å; N894-D927 PolarHBondContact ND2-OD1 3.16Å; N894-D927 PolarHBondContact ND2-OD2 3.24Å; W922-D927 PolarHBondContact NE1-OD1 3.32Å; D923-D927 CarbonylContact O-C 3.6Å; D923-D927 WeakPolarHBondContact O-CA 3.47Å; D923-D927 PolarHBondContact O-N 3.43Å; D927-R1011 WeakPolarHBondContact O-CB 3.47Å; D927-R1011 PolarHBondContact O-N 3.45Å; D927-R1011 WeakPolarHBondContact OD1-CB 3.4Å; D927-R1011 WeakPolarHBondContact OD1-CD 3.34Å; D927-R1011 IonicContact OD1-CZ 2.78Å; D927-R1011 IonicContact OD1-NE 2.89Å; D927-R1011 PolarHBondContact OD1-NE 3.25Å; D927-R1011 IonicContact OD1-NH2 3.92Å; D927-R1011 IonicContact OD2-CZ 3.96Å; D927-R1011 IonicContact OD2-NE 2.71Å; D927-R1011 PolarHBondContact OD2-NE 2.86Å; D927-R1011 IonicContact OD2-NH2 3.95Å; D927-R1011 PolarHBondContact OD2-NH2 3.01Å
928	L	94.4	Very high	90.3	Very high	31 Å²	31	43.8 Å²	43.8	16%	0.162	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142.1	-177.6	-68.2	172	0	0	0	111	W922 D923 H926 K1008 V1009 Q1010	W922-L928 CarbonylContact C-O 3.55Å; W922-L928 WeakPolarHBondContact CA-O 3.39Å; D923-L928 HydrophobicContact CB-CB 4.32Å; D923-L928 PolarHBondContact N-O 2.86Å; D923-L928 PolarHBondContact O-N 2.91Å; H926-L928 VanDerWaalsContact C-N 3.31Å; H926-L928 HydrophobicContact CB-CD1 3.67Å; H926-L928 HydrophobicContact CB-CG 3.86Å; H926-L928 PolarHBondContact O-N 3Å; L928-K1008 HydrophobicContact CB-CB 4.34Å; L928-K1008 HydrophobicContact CD1-CB 4.16Å; L928-K1008 HydrophobicContact CD1-CD 3.88Å; L928-K1008 HydrophobicContact CD2-CB 4.31Å; L928-V1009 CarbonylContact C-O 3.16Å; L928-V1009 WeakPolarHBondContact CA-O 3.42Å; L928-Q1010 HydrophobicContact CD2-CG 4.34Å
929	M	94.9	Very high	89.8	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	146.5	171.2	-65	-173.8	81.6	0	0	111.4	L766 F769 R770 L920 W921 W960 K1008 V1009 R1011	L766-M929 HydrophobicContact CD2-CE 4.16Å; F769-M929 HydrophobicContact CD1-CE 4.29Å; F769-M929 HydrophobicContact CD1-SD 4.31Å; F769-M929 HydrophobicContact CE1-CE 4.37Å; F769-M929 HydrophobicContact CE1-SD 4.42Å; R770-M929 HydrophobicContact CG-SD 4.04Å; L920-M929 HydrophobicContact CB-CE 3.86Å; L920-M929 HydrophobicContact CD1-CE 3.58Å; L920-M929 HydrophobicContact CG-CE 4.37Å; W921-M929 CarbonylContact O-C 3.6Å; W921-M929 WeakPolarHBondContact O-CA 3.34Å; M929-W960 HydrophobicContact CB-CH2 3.41Å; M929-W960 VanDerWaalsContact CB-CH2 3.41Å; M929-W960 HydrophobicContact CB-CZ3 3.67Å; M929-W960 HydrophobicContact CE-CH2 4.42Å; M929-W960 HydrophobicContact CG-CH2 4.26Å; M929-W960 HydrophobicContact SD-CH2 3.94Å; M929-K1008 WeakPolarHBondContact O-CA 3.39Å; M929-V1009 PolarHBondContact N-O 2.76Å; M929-V1009 PolarHBondContact O-N 3.34Å; M929-R1011 HydrophobicContact CG-CB 3.83Å; M929-R1011 HydrophobicContact CG-CG 4.05Å; M929-R1011 HydrophobicContact SD-CB 4.1Å; M929-R1011 HydrophobicContact SD-CG 3.73Å
930	A	93.2	Very high	89.6	Confident	9 Å²	9	54.4 Å²	54.4	7%	0.074	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	156.8	178.1	0	0	0	0	0	112	W921 K1008	W921-A930 PolarHBondContact N-O 3.24Å; W921-A930 PolarHBondContact O-N 3.02Å; A930-K1008 HydrophobicContact CB-CG 4.44Å
931	V	92.4	Very high	89.2	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.012	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-86.7	136.9	172.3	174.1	0	0	0	0	109.5	L920 A933 V954 F955 D956 L961 V1004	L920-V931 HydrophobicContact CD2-CG2 3.84Å; V931-A933 PolarHBondContact O-N 2.89Å; V931-V954 HydrophobicContact CG1-CG1 4.17Å; V931-F955 WeakPolarHBondContact CG1-O 3.43Å; V931-D956 HydrophobicContact CG2-CB 4.22Å; V931-L961 HydrophobicContact CB-CD1 3.75Å; V931-L961 HydrophobicContact CG1-CD1 3.81Å; V931-L961 HydrophobicContact CG2-CD1 3.8Å; V931-L961 HydrophobicContact CG2-CG 4.29Å; V931-V1004 HydrophobicContact CB-CG1 3.92Å; V931-V1004 HydrophobicContact CG1-CG1 3.96Å
932	K	87	Confident	89.1	Confident	124 Å²	124	57.6 Å²	57.6	54%	0.539	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-68.3	122.7	175.9	-176.6	174.6	-179.1	175.2	0	110.6	W921	W921-K932 HydrophobicContact CH2-CG 4.38Å; W921-K932 HydrophobicContact CZ2-CD 4.12Å; W921-K932 HydrophobicContact CZ2-CG 3.9Å
933	A	84.3	Confident	88.9	Confident	12 Å²	12	58.3 Å²	58.3	10%	0.099	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-73.8	127.4	175.4	0	0	0	0	0	110.9	V931 V1004 M1005	V931-A933 PolarHBondContact O-N 2.89Å; A933-V1004 HydrophobicContact CB-CB 4.29Å; A933-M1005 HydrophobicContact CB-CG 3.68Å; A933-M1005 HydrophobicContact CB-SD 3.78Å
934	P	86.9	Confident	88.7	Confident	16 Å²	16	57.9 Å²	57.9	10%	0.104	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-73.6	142.3	171.6	30.1	-33.6	0	0	0	111.2	L936 R953 V954 C1001	P934-L936 HydrophobicContact CB-CD2 4.17Å; P934-L936 HydrophobicContact CB-CG 4.37Å; P934-L936 HydrophobicContact CG-CD1 4.33Å; P934-L936 HydrophobicContact CG-CD2 4.3Å; P934-L936 HydrophobicContact CG-CG 4.19Å; P934-L936 PolarHBondContact O-N 3.4Å; P934-R953 HydrophobicContact CB-CB 3.7Å; P934-R953 HydrophobicContact CG-CB 4.17Å; P934-V954 HydrophobicContact CG-CG2 3.89Å; P934-C1001 VanDerWaalsContact CG-SG 3.57Å
935	Q	83.4	Confident	88.5	Confident	169 Å²	169	58.8 Å²	58.8	79%	0.79	29%	0.289	S	S	*	.			trans	-75.7	111	171.1	-65.4	-64	-21.8	0	0	109.2
936	L	89	Confident	88.7	Confident	32 Å²	32	59.8 Å²	59.8	17%	0.168	29%	0.286	C	S	.	.			trans	-116.1	134.5	-178.3	-57.8	-178.4	0	0	0	110.3	P934 V938 A950 W997 K998 C1001	P934-L936 HydrophobicContact CB-CD2 4.17Å; P934-L936 HydrophobicContact CB-CG 4.37Å; P934-L936 HydrophobicContact CG-CD1 4.33Å; P934-L936 HydrophobicContact CG-CD2 4.3Å; P934-L936 HydrophobicContact CG-CG 4.19Å; P934-L936 PolarHBondContact O-N 3.4Å; L936-V938 PolarHBondContact O-N 3.47Å; L936-V938 VanDerWaalsContact O-N 3.17Å; L936-A950 HydrophobicContact CD1-CB 4.06Å; L936-A950 HydrophobicContact CD2-CB 3.64Å; L936-W997 HydrophobicContact CD1-CE3 4.43Å; L936-W997 HydrophobicContact CD1-CZ3 3.71Å; L936-K998 HydrophobicContact CD1-CG 4.22Å; L936-C1001 HydrophobicContact CD1-CB 3.92Å
937	N	88.3	Confident	88.8	Confident	102 Å²	102	54 Å²	54	55%	0.545	26%	0.259	S	S	.	.			trans	-76.4	104.5	172.8	-175.3	-10.7	0	0	0	109.3	R939 S940 K998	N937-R939 PolarHBondContact O-N 3.26Å; N937-R939 PolarHBondContact OD1-N 3.02Å; N937-S940 PolarHBondContact O-N 3Å; N937-S940 PolarHBondContact O-OG 3.12Å; N937-S940 PolarHBondContact OD1-N 2.9Å; N937-K998 PolarHBondContact O-NZ 2.94Å
938	V	85.6	Confident	88.7	Confident	40 Å²	40	54.1 Å²	54.1	24%	0.242	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-30.3	-179.5	-179.9	0	0	0	0	112	L936 I995 K998 R999	L936-V938 PolarHBondContact O-N 3.47Å; L936-V938 VanDerWaalsContact O-N 3.17Å; V938-I995 HydrophobicContact CG1-CG2 4.02Å; V938-K998 HydrophobicContact CG2-CB 4.31Å; V938-K998 WeakPolarHBondContact O-CE 3.41Å; V938-K998 PolarHBondContact O-NZ 3.29Å; V938-K998 VanDerWaalsContact O-NZ 3.1Å; V938-R999 HydrophobicContact CG1-CG 3.59Å; V938-R999 HydrophobicContact CG2-CG 4.27Å
939	R	82.7	Confident	88.4	Confident	235 Å²	235	55.6 Å²	55.6	89%	0.887	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.8	-175.9	-63	-177	-179.6	169.5	0.4	114	N937	N937-R939 PolarHBondContact O-N 3.26Å; N937-R939 PolarHBondContact OD1-N 3.02Å
940	S	86.1	Confident	88.3	Confident	31 Å²	31	55.8 Å²	55.8	22%	0.217	27%	0.272	C	S	.	.	S	Bend	trans	-68.7	139.1	180	56.9	0	0	0	0	112	N937 D942 K998	N937-S940 PolarHBondContact O-N 3Å; N937-S940 PolarHBondContact O-OG 3.12Å; N937-S940 PolarHBondContact OD1-N 2.9Å; S940-D942 VanDerWaalsContact CB-OD1 3.26Å; S940-D942 WeakPolarHBondContact CB-OD1 3.33Å; S940-D942 PolarHBondContact O-N 2.78Å; S940-D942 PolarHBondContact OG-OD1 3.1Å; S940-D942 PolarHBondContact OG-OD2 2.74Å; S940-K998 PolarHBondContact O-NZ 3.06Å; S940-K998 PolarHBondContact OG-NZ 2.77Å
941	L	85.2	Confident	88.2	Confident	130 Å²	130	55.7 Å²	55.7	68%	0.681	27%	0.27	S	S	*	.			trans	-79.1	89.2	166.2	-68.6	176.7	0	0	0	108.1	V985	L941-V985 HydrophobicContact CB-CG1 4.1Å
942	D	90.4	Very high	88.1	Confident	13 Å²	13	57.9 Å²	57.9	7%	0.07	29%	0.289	C	S	.	.			trans	-79.4	154.1	-172.5	-65.5	-37.9	0	0	0	112.8	S940 Q946 I986 W994 K998	S940-D942 VanDerWaalsContact CB-OD1 3.26Å; S940-D942 WeakPolarHBondContact CB-OD1 3.33Å; S940-D942 PolarHBondContact O-N 2.78Å; S940-D942 PolarHBondContact OG-OD1 3.1Å; S940-D942 PolarHBondContact OG-OD2 2.74Å; D942-Q946 HydrophobicContact CB-CB 3.88Å; D942-I986 HydrophobicContact CB-CD1 4.08Å; D942-I986 WeakPolarHBondContact O-CB 3.46Å; D942-I986 WeakPolarHBondContact O-CD1 3.28Å; D942-I986 WeakPolarHBondContact O-CG1 3.41Å; D942-I986 PolarHBondContact O-N 2.93Å; D942-W994 PolarHBondContact OD2-NE1 3.34Å; D942-K998 WeakPolarHBondContact OD2-CD 3.48Å; D942-K998 WeakPolarHBondContact OD2-CE 3.38Å; D942-K998 IonicContact OD2-NZ 4Å; D942-K998 PolarHBondContact OD2-NZ 2.97Å
943	T	91	Very high	88.3	Confident	14 Å²	14	59.1 Å²	59.1	9%	0.086	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-98	171	172	70.1	0	0	0	0	111.6	R945 Q946 L947 W982 D983 E984	T943-R945 PolarHBondContact O-N 3.24Å; T943-R945 PolarHBondContact OG1-N 3.19Å; T943-Q946 PolarHBondContact O-N 3.28Å; T943-Q946 VanDerWaalsContact O-N 3.08Å; T943-Q946 PolarHBondContact OG1-N 3.35Å; T943-Q946 PolarHBondContact OG1-OE1 2.97Å; T943-L947 PolarHBondContact O-N 2.97Å; T943-W982 WeakPolarHBondContact CB-O 3.46Å; T943-W982 PolarHBondContact OG1-O 2.87Å; T943-D983 VanDerWaalsContact CG2-O 3.32Å; T943-D983 WeakPolarHBondContact CG2-O 3.2Å; T943-E984 VanDerWaalsContact CA-O 3.22Å; T943-E984 WeakPolarHBondContact CA-O 3.48Å; T943-E984 VanDerWaalsContact CB-O 3.28Å; T943-E984 WeakPolarHBondContact CB-O 3.44Å
944	K	87.8	Confident	88.6	Confident	13 Å²	13	59.2 Å²	59.2	6%	0.057	29%	0.289	C	S	.	.	H	α-helix	trans	-54.4	-39.6	173.2	-173.6	176.5	69.3	177.8	0	112.2	L948 M972 L975 I980 W982	K944-L948 PolarHBondContact O-N 3.14Å; K944-M972 HydrophobicContact CD-CE 4.06Å; K944-M972 HydrophobicContact CD-SD 4.42Å; K944-M972 HydrophobicContact CG-CE 3.73Å; K944-M972 HydrophobicContact CG-SD 3.73Å; K944-L975 HydrophobicContact CB-CD1 4.19Å; K944-L975 HydrophobicContact CD-CB 4.15Å; K944-L975 HydrophobicContact CG-CB 4.27Å; K944-L975 HydrophobicContact CG-CD1 4.11Å; K944-I980 VanDerWaalsContact CE-O 3.31Å; K944-I980 WeakPolarHBondContact CE-O 3.49Å; K944-I980 PolarHBondContact NZ-O 2.77Å; K944-W982 HydrophobicContact CB-CE3 4.42Å; K944-W982 HydrophobicContact CD-CE3 4.31Å; K944-W982 HydrophobicContact CD-CZ3 4.38Å; K944-W982 VanDerWaalsContact CE-CD2 3.5Å; K944-W982 VanDerWaalsContact CE-CE3 3.44Å; K944-W982 HydrophobicContact CG-CE3 4.07Å; K944-W982 HydrophobicContact CG-CZ3 4.1Å; K944-W982 PolarHBondContact N-O 3.43Å
945	R	86.4	Confident	88.9	Confident	56 Å²	56	62.6 Å²	62.6	21%	0.211	30%	0.303	C	S	.	.	H	α-helix	trans	-64.8	-41.5	176	-173.3	-171.7	-57.3	-82.6	4.8	112.1	T606 T943 L948 T949 W982 D983	T606-R945 PolarHBondContact OG1-NH1 3.19Å; T943-R945 PolarHBondContact O-N 3.24Å; T943-R945 PolarHBondContact OG1-N 3.19Å; R945-L948 PolarHBondContact O-N 3.23Å; R945-T949 WeakPolarHBondContact O-CB 3.34Å; R945-T949 PolarHBondContact O-N 3.41Å; R945-T949 PolarHBondContact O-OG1 2.91Å; R945-W982 HydrophobicContact CB-CE3 4.17Å; R945-W982 WeakPolarHBondContact CB-O 3.17Å; R945-W982 PolarHBondContact N-O 3.47Å; R945-D983 IonicContact CZ-OD1 2.78Å; R945-D983 IonicContact CZ-OD2 3.55Å; R945-D983 IonicContact NE-OD1 2.68Å; R945-D983 PolarHBondContact NE-OD1 3.21Å; R945-D983 IonicContact NE-OD2 2.82Å; R945-D983 IonicContact NH2-OD1 3.93Å; R945-D983 IonicContact NH2-OD2 3.59Å; R945-D983 PolarHBondContact NH2-OD2 2.96Å
946	Q	90.5	Very high	89.3	Confident	85 Å²	85	55.7 Å²	55.7	40%	0.397	27%	0.271	S	S	.	.	H	α-helix	trans	-69.6	-37.3	-179.9	-73	170.4	-51.3	0	0	112	D942 T943 T949 A950	D942-Q946 HydrophobicContact CB-CB 3.88Å; T943-Q946 PolarHBondContact O-N 3.28Å; T943-Q946 VanDerWaalsContact O-N 3.08Å; T943-Q946 PolarHBondContact OG1-N 3.35Å; T943-Q946 PolarHBondContact OG1-OE1 2.97Å; Q946-T949 PolarHBondContact O-N 3.44Å; Q946-A950 WeakPolarHBondContact O-CB 3.48Å; Q946-A950 PolarHBondContact O-N 3.44Å
947	L	93	Very high	89.6	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.6	-51.9	171.2	-176.2	159.3	0	0	0	111	T943 T949 A950 L951 L971 M972 L975 I986 W994	T943-L947 PolarHBondContact O-N 2.97Å; L947-T949 VanDerWaalsContact C-N 3.31Å; L947-T949 PolarHBondContact O-N 3.02Å; L947-A950 PolarHBondContact O-N 3.3Å; L947-L951 PolarHBondContact O-N 2.82Å; L947-L971 HydrophobicContact CD1-CB 4Å; L947-M972 HydrophobicContact CD2-CB 3.94Å; L947-M972 HydrophobicContact CD2-CG 4.47Å; L947-M972 HydrophobicContact CD2-SD 4.06Å; L947-L975 HydrophobicContact CD1-CD1 3.84Å; L947-I986 HydrophobicContact CB-CD1 4.19Å; L947-I986 HydrophobicContact CD1-CD1 4.08Å; L947-W994 HydrophobicContact CB-CH2 4.37Å; L947-W994 HydrophobicContact CB-CZ2 4.29Å; L947-W994 HydrophobicContact CD1-CD2 4.14Å; L947-W994 HydrophobicContact CD1-CE3 3.91Å; L947-W994 HydrophobicContact CD1-CZ3 4.32Å; L947-W994 HydrophobicContact CG-CD2 4.23Å; L947-W994 HydrophobicContact CG-CE3 3.88Å; L947-W994 HydrophobicContact CG-CH2 4.05Å; L947-W994 HydrophobicContact CG-CZ2 4.37Å; L947-W994 HydrophobicContact CG-CZ3 3.78Å
948	L	91.2	Very high	89.9	Confident	21 Å²	21	49.9 Å²	49.9	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-42.9	177.7	178.7	64.2	0	0	0	111.8	L610 F613 K944 R945 A950 L951 A952 M972 W982	L610-L948 HydrophobicContact CD1-CD1 3.88Å; L610-L948 HydrophobicContact CD1-CD2 3.65Å; L610-L948 HydrophobicContact CD1-CG 4.44Å; F613-L948 HydrophobicContact CD1-CD1 3.95Å; F613-L948 HydrophobicContact CE1-CD1 3.98Å; K944-L948 PolarHBondContact O-N 3.14Å; R945-L948 PolarHBondContact O-N 3.23Å; L948-A950 VanDerWaalsContact C-N 3.33Å; L948-A950 PolarHBondContact O-N 3.16Å; L948-L951 PolarHBondContact O-N 3.1Å; L948-A952 VanDerWaalsContact O-CB 3.31Å; L948-A952 WeakPolarHBondContact O-CB 3.37Å; L948-A952 PolarHBondContact O-N 2.91Å; L948-M972 HydrophobicContact CB-CE 4.34Å; L948-M972 HydrophobicContact CB-SD 4.46Å; L948-M972 HydrophobicContact CD2-CE 4.47Å; L948-W982 HydrophobicContact CD2-CH2 4.11Å; L948-W982 HydrophobicContact CD2-CZ3 3.95Å
949	T	88.2	Confident	90.3	Very high	62 Å²	62	48.2 Å²	48.2	38%	0.38	23%	0.232	S	C	.	.	H	α-helix	trans	-61.2	-42.8	178.2	-57	0	0	0	0	111.5	R945 Q946 L947 A952 R953	R945-T949 WeakPolarHBondContact O-CB 3.34Å; R945-T949 PolarHBondContact O-N 3.41Å; R945-T949 PolarHBondContact O-OG1 2.91Å; Q946-T949 PolarHBondContact O-N 3.44Å; L947-T949 VanDerWaalsContact C-N 3.31Å; L947-T949 PolarHBondContact O-N 3.02Å; T949-A952 PolarHBondContact O-N 3.21Å; T949-R953 WeakPolarHBondContact O-CG 3.5Å; T949-R953 PolarHBondContact O-N 3.5Å
950	A	91.8	Very high	90.8	Very high	6 Å²	6	38.1 Å²	38.1	5%	0.05	19%	0.194	C	C	.	.	H	α-helix	trans	-67.1	-43.5	178.1	0	0	0	0	0	111.9	L936 Q946 L947 L948 R953 W994 W997	L936-A950 HydrophobicContact CD1-CB 4.06Å; L936-A950 HydrophobicContact CD2-CB 3.64Å; Q946-A950 WeakPolarHBondContact O-CB 3.48Å; Q946-A950 PolarHBondContact O-N 3.44Å; L947-A950 PolarHBondContact O-N 3.3Å; L948-A950 VanDerWaalsContact C-N 3.33Å; L948-A950 PolarHBondContact O-N 3.16Å; A950-R953 PolarHBondContact O-N 2.93Å; A950-W994 HydrophobicContact CB-CH2 3.59Å; A950-W994 HydrophobicContact CB-CZ2 3.9Å; A950-W997 HydrophobicContact CB-CZ3 4.46Å
951	L	92	Very high	91.2	Very high	6 Å²	6	37 Å²	37	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-45.6	173.6	176.3	57.4	0	0	0	111.5	F613 L947 L948 R953 V954 T965 A968 K969 W997	F613-L951 HydrophobicContact CE1-CD2 4.27Å; F613-L951 HydrophobicContact CZ-CD2 4.2Å; F613-L951 HydrophobicContact CZ-CG 4.05Å; L947-L951 PolarHBondContact O-N 2.82Å; L948-L951 PolarHBondContact O-N 3.1Å; L951-R953 PolarHBondContact O-N 2.98Å; L951-V954 WeakPolarHBondContact O-CB 3.32Å; L951-V954 PolarHBondContact O-N 3.34Å; L951-T965 HydrophobicContact CD1-CG2 4.45Å; L951-A968 HydrophobicContact CB-CB 4.39Å; L951-A968 HydrophobicContact CD1-CB 3.85Å; L951-A968 HydrophobicContact CD2-CB 4.13Å; L951-A968 HydrophobicContact CG-CB 4.33Å; L951-K969 HydrophobicContact CD2-CG 3.93Å; L951-W997 HydrophobicContact CD1-CZ2 4.28Å
952	A	89.2	Confident	91.5	Very high	49 Å²	49	31.2 Å²	31.2	41%	0.405	16%	0.156	S	C	.	.	H	α-helix	trans	-67.3	-19.3	-178.8	0	0	0	0	0	114.2	F613 L948 T949 V954	F613-A952 HydrophobicContact CD2-CB 3.96Å; F613-A952 HydrophobicContact CE2-CB 3.64Å; F613-A952 HydrophobicContact CZ-CB 4.38Å; L948-A952 VanDerWaalsContact O-CB 3.31Å; L948-A952 WeakPolarHBondContact O-CB 3.37Å; L948-A952 PolarHBondContact O-N 2.91Å; T949-A952 PolarHBondContact O-N 3.21Å; A952-V954 VanDerWaalsContact C-N 3.31Å
953	R	90.7	Very high	91.5	Very high	150 Å²	150	35.2 Å²	35.2	57%	0.566	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-13.3	173.1	-71.9	171.9	174.7	-176.1	-0.8	113.3	P934 T949 A950 L951 F955	P934-R953 HydrophobicContact CB-CB 3.7Å; P934-R953 HydrophobicContact CG-CB 4.17Å; T949-R953 WeakPolarHBondContact O-CG 3.5Å; T949-R953 PolarHBondContact O-N 3.5Å; A950-R953 PolarHBondContact O-N 2.93Å; L951-R953 PolarHBondContact O-N 2.98Å; R953-F955 PolarHBondContact O-N 3.15Å
954	V	91.9	Very high	91.6	Very high	13 Å²	13	35.7 Å²	35.7	8%	0.079	18%	0.184	C	C	.	.			trans	-84.7	91.8	172.6	-175.6	0	0	0	0	108	V931 P934 L951 A952 D956 L961 F964 T965 W997	V931-V954 HydrophobicContact CG1-CG1 4.17Å; P934-V954 HydrophobicContact CG-CG2 3.89Å; L951-V954 WeakPolarHBondContact O-CB 3.32Å; L951-V954 PolarHBondContact O-N 3.34Å; A952-V954 VanDerWaalsContact C-N 3.31Å; V954-D956 PolarHBondContact O-N 3.09Å; V954-L961 HydrophobicContact CG1-CD1 3.84Å; V954-F964 HydrophobicContact CG2-CE1 4.36Å; V954-T965 HydrophobicContact CG1-CG2 3.99Å; V954-W997 HydrophobicContact CG2-CH2 3.88Å; V954-W997 HydrophobicContact CG2-CZ2 4.34Å
955	F	91.5	Very high	91.9	Very high	88 Å²	88	35.6 Å²	35.6	39%	0.386	19%	0.185	S	C	.	.			trans	-83.4	92.9	179.5	-174.9	-106.3	0	0	0	110.6	L762 L918 V931 R953 P957	L762-F955 HydrophobicContact CD1-CZ 4.47Å; L762-F955 HydrophobicContact CD2-CE1 4.5Å; L762-F955 HydrophobicContact CD2-CZ 3.94Å; L918-F955 VanDerWaalsContact O-CE1 3.28Å; L918-F955 WeakPolarHBondContact O-CE1 3.22Å; V931-F955 WeakPolarHBondContact CG1-O 3.43Å; R953-F955 PolarHBondContact O-N 3.15Å; F955-P957 VanDerWaalsContact C-CD 3.42Å; F955-P957 HydrophobicContact CD1-CG 4.16Å; F955-P957 HydrophobicContact CE1-CB 4.28Å; F955-P957 HydrophobicContact CE1-CG 3.65Å; F955-P957 HydrophobicContact CZ-CB 4.15Å; F955-P957 HydrophobicContact CZ-CG 4.03Å; F955-P957 VanDerWaalsContact O-CD 3.27Å; F955-P957 WeakPolarHBondContact O-CD 3.49Å
956	D	93.5	Very high	92.2	Very high	23 Å²	23	33.9 Å²	33.9	12%	0.123	18%	0.18	C	C	.	.			trans	-117.3	72.1	-179.1	180	26.4	0	0	0	111.4	V931 V954 L958 G959 W960 L961 A962	V931-D956 HydrophobicContact CG2-CB 4.22Å; V954-D956 PolarHBondContact O-N 3.09Å; D956-L958 VanDerWaalsContact C-N 3.29Å; D956-L958 PolarHBondContact O-N 3.36Å; D956-G959 VanDerWaalsContact CG-CA 3.49Å; D956-G959 PolarHBondContact O-N 3.44Å; D956-G959 WeakPolarHBondContact OD1-CA 3.07Å; D956-G959 PolarHBondContact OD1-N 3.42Å; D956-G959 WeakPolarHBondContact OD2-CA 3.45Å; D956-W960 PolarHBondContact OD1-N 3.25Å; D956-W960 PolarHBondContact OD2-N 2.84Å; D956-L961 HydrophobicContact CB-CB 4.45Å; D956-L961 HydrophobicContact CB-CD1 4.38Å; D956-L961 VanDerWaalsContact OD2-CA 3.29Å; D956-L961 WeakPolarHBondContact OD2-CA 3.49Å; D956-L961 VanDerWaalsContact OD2-CB 3.28Å; D956-L961 WeakPolarHBondContact OD2-CB 3.31Å; D956-L961 PolarHBondContact OD2-N 3.22Å; D956-A962 PolarHBondContact OD2-N 3.45Å
957	P	93.8	Very high	92.4	Very high	12 Å²	12	33 Å²	33	8%	0.078	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-32.7	-174.5	24.2	-35	0	0	0	113.6	L762 V763 L766 L920 F955	L762-P957 HydrophobicContact CD2-CB 4.19Å; V763-P957 HydrophobicContact CG2-CB 4.07Å; L766-P957 HydrophobicContact CD1-CB 4Å; L766-P957 HydrophobicContact CD1-CG 3.51Å; L920-P957 HydrophobicContact CD1-CG 4.08Å; L920-P957 HydrophobicContact CD2-CG 4.24Å; L920-P957 HydrophobicContact CG-CG 4.18Å; F955-P957 VanDerWaalsContact C-CD 3.42Å; F955-P957 HydrophobicContact CD1-CG 4.16Å; F955-P957 HydrophobicContact CE1-CB 4.28Å; F955-P957 HydrophobicContact CE1-CG 3.65Å; F955-P957 HydrophobicContact CZ-CB 4.15Å; F955-P957 HydrophobicContact CZ-CG 4.03Å; F955-P957 VanDerWaalsContact O-CD 3.27Å; F955-P957 WeakPolarHBondContact O-CD 3.49Å
958	L	95.3	Very high	92.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-6.2	-179.6	-64.7	173.3	0	0	0	113.2	V763 L766 I767 D956 W960 M1058 A1059	V763-L958 HydrophobicContact CG1-CD2 3.84Å; L766-L958 HydrophobicContact CB-CD1 4.34Å; L766-L958 HydrophobicContact CB-CD2 4.43Å; I767-L958 HydrophobicContact CD1-CD2 4.41Å; I767-L958 HydrophobicContact CG1-CD2 3.73Å; D956-L958 VanDerWaalsContact C-N 3.29Å; D956-L958 PolarHBondContact O-N 3.36Å; L958-W960 HydrophobicContact CB-CD2 4.4Å; L958-W960 HydrophobicContact CB-CZ2 4.27Å; L958-W960 HydrophobicContact CD1-CH2 3.92Å; L958-W960 HydrophobicContact CD1-CZ2 3.3Å; L958-W960 HydrophobicContact CG-CZ2 4.4Å; L958-M1058 HydrophobicContact CD2-CG 4.47Å; L958-M1058 CarbonylContact O-C 3.5Å; L958-M1058 WeakPolarHBondContact O-CA 3.45Å; L958-M1058 WeakPolarHBondContact O-CG 3.32Å; L958-A1059 PolarHBondContact O-N 2.85Å
959	G	94.4	Very high	92.6	Very high	6 Å²	6	32.3 Å²	32.3	6%	0.062	17%	0.174	C	C	.	.			trans	74.8	23.3	175.4	0	0	0	0	0	115	D956 L961 A962 A1059	D956-G959 VanDerWaalsContact CG-CA 3.49Å; D956-G959 PolarHBondContact O-N 3.44Å; D956-G959 WeakPolarHBondContact OD1-CA 3.07Å; D956-G959 PolarHBondContact OD1-N 3.42Å; D956-G959 WeakPolarHBondContact OD2-CA 3.45Å; G959-L961 PolarHBondContact O-N 3.07Å; G959-A962 WeakPolarHBondContact O-CB 3.49Å; G959-A962 PolarHBondContact O-N 2.77Å; G959-A1059 WeakPolarHBondContact CA-O 3.33Å; G959-A1059 WeakPolarHBondContact O-CB 3.32Å
960	W	93.2	Very high	92.9	Very high	22 Å²	22	30.6 Å²	30.6	8%	0.083	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27	177.6	-59.9	-27.5	0	0	0	112.3	L920 M929 D956 L958 V1009	L920-W960 HydrophobicContact CD1-CH2 4.13Å; L920-W960 HydrophobicContact CD1-CZ3 4.18Å; M929-W960 HydrophobicContact CB-CH2 3.41Å; M929-W960 VanDerWaalsContact CB-CH2 3.41Å; M929-W960 HydrophobicContact CB-CZ3 3.67Å; M929-W960 HydrophobicContact CE-CH2 4.42Å; M929-W960 HydrophobicContact CG-CH2 4.26Å; M929-W960 HydrophobicContact SD-CH2 3.94Å; D956-W960 PolarHBondContact OD1-N 3.25Å; D956-W960 PolarHBondContact OD2-N 2.84Å; L958-W960 HydrophobicContact CB-CD2 4.4Å; L958-W960 HydrophobicContact CB-CZ2 4.27Å; L958-W960 HydrophobicContact CD1-CH2 3.92Å; L958-W960 HydrophobicContact CD1-CZ2 3.3Å; L958-W960 HydrophobicContact CG-CZ2 4.4Å; W960-V1009 HydrophobicContact CB-CG2 4.26Å; W960-V1009 HydrophobicContact CD2-CB 4.03Å; W960-V1009 HydrophobicContact CD2-CG1 4.38Å; W960-V1009 HydrophobicContact CD2-CG2 3.63Å; W960-V1009 HydrophobicContact CE3-CB 4.12Å; W960-V1009 HydrophobicContact CE3-CG2 3.84Å; W960-V1009 HydrophobicContact CG-CG2 3.84Å; W960-V1009 HydrophobicContact CH2-CB 4.25Å; W960-V1009 HydrophobicContact CZ2-CB 4.12Å; W960-V1009 HydrophobicContact CZ2-CG1 4.07Å; W960-V1009 HydrophobicContact CZ3-CB 4.25Å; W960-V1009 HydrophobicContact CZ3-CG2 4.45Å
961	L	94.3	Very high	93.1	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.042	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	17.4	176.6	-50.8	173.7	0	0	0	111.5	V931 V954 D956 G959 P963 F964 T965 V1004 V1007	V931-L961 HydrophobicContact CB-CD1 3.75Å; V931-L961 HydrophobicContact CG1-CD1 3.81Å; V931-L961 HydrophobicContact CG2-CD1 3.8Å; V931-L961 HydrophobicContact CG2-CG 4.29Å; V954-L961 HydrophobicContact CG1-CD1 3.84Å; D956-L961 HydrophobicContact CB-CB 4.45Å; D956-L961 HydrophobicContact CB-CD1 4.38Å; D956-L961 VanDerWaalsContact OD2-CA 3.29Å; D956-L961 WeakPolarHBondContact OD2-CA 3.49Å; D956-L961 VanDerWaalsContact OD2-CB 3.28Å; D956-L961 WeakPolarHBondContact OD2-CB 3.31Å; D956-L961 PolarHBondContact OD2-N 3.22Å; G959-L961 PolarHBondContact O-N 3.07Å; L961-P963 VanDerWaalsContact C-N 3.28Å; L961-F964 HydrophobicContact CB-CB 4.32Å; L961-F964 HydrophobicContact CB-CD1 4.39Å; L961-F964 CarbonylContact O-C 3.5Å; L961-F964 WeakPolarHBondContact O-CA 3.47Å; L961-F964 WeakPolarHBondContact O-CB 3.5Å; L961-F964 PolarHBondContact O-N 2.98Å; L961-T965 HydrophobicContact CB-CG2 4.2Å; L961-T965 PolarHBondContact O-N 2.88Å; L961-T965 PolarHBondContact O-OG1 2.79Å; L961-V1004 HydrophobicContact CD1-CB 4.37Å; L961-V1004 HydrophobicContact CD1-CG1 3.39Å; L961-V1004 HydrophobicContact CD1-CG2 4.15Å; L961-V1004 HydrophobicContact CD2-CG1 4.38Å; L961-V1007 HydrophobicContact CD2-CB 3.88Å; L961-V1007 HydrophobicContact CD2-CG1 3.93Å; L961-V1007 HydrophobicContact CD2-CG2 3.9Å
962	A	92.3	Very high	93.1	Very high	8 Å²	8	30.6 Å²	30.6	7%	0.066	16%	0.161	C	C	.	.	H	α-helix	trans	-50.5	-39.3	179.8	0	0	0	0	0	113.9	D956 G959 F964 T965 V966 A1059 S1061	D956-A962 PolarHBondContact OD2-N 3.45Å; G959-A962 WeakPolarHBondContact O-CB 3.49Å; G959-A962 PolarHBondContact O-N 2.77Å; A962-F964 VanDerWaalsContact C-N 3.34Å; A962-F964 PolarHBondContact O-N 2.97Å; A962-T965 WeakPolarHBondContact CA-OG1 3.5Å; A962-T965 PolarHBondContact O-OG1 2.89Å; A962-V966 VanDerWaalsContact O-CB 3.29Å; A962-V966 WeakPolarHBondContact O-CB 3.21Å; A962-V966 WeakPolarHBondContact O-CG1 3.41Å; A962-V966 PolarHBondContact O-N 3.4Å; A962-A1059 HydrophobicContact CB-CB 4.26Å; A962-S1061 PolarHBondContact O-OG 3.22Å
963	P	89.9	Confident	93.2	Very high	98 Å²	98	30.8 Å²	30.8	64%	0.636	15%	0.154	S	C	*	.	H	α-helix	trans	-65.7	-32.3	173.9	-22.6	35	0	0	0	113.9	L961 V966 I967	L961-P963 VanDerWaalsContact C-N 3.28Å; P963-V966 WeakPolarHBondContact O-CG1 3.33Å; P963-I967 WeakPolarHBondContact O-CG1 3.4Å
964	F	93.2	Very high	93.3	Very high	23 Å²	23	28.3 Å²	28.3	10%	0.101	15%	0.147	C	C	.	.	H	α-helix	trans	-78.6	-45.7	177	169	-106.1	0	0	0	111.6	V954 L961 A962 I967 W997 Q1000 C1001 V1004	V954-F964 HydrophobicContact CG2-CE1 4.36Å; L961-F964 HydrophobicContact CB-CB 4.32Å; L961-F964 HydrophobicContact CB-CD1 4.39Å; L961-F964 CarbonylContact O-C 3.5Å; L961-F964 WeakPolarHBondContact O-CA 3.47Å; L961-F964 WeakPolarHBondContact O-CB 3.5Å; L961-F964 PolarHBondContact O-N 2.98Å; A962-F964 VanDerWaalsContact C-N 3.34Å; A962-F964 PolarHBondContact O-N 2.97Å; F964-I967 PolarHBondContact O-N 3.2Å; F964-W997 HydrophobicContact CD1-CZ2 4.14Å; F964-W997 AromaticContact CD2-CD1 3.98Å; F964-W997 AromaticContact CD2-NE1 3.67Å; F964-W997 HydrophobicContact CE1-CD2 4.5Å; F964-W997 AromaticContact CE1-CE2 3.6Å; F964-W997 AromaticContact CE1-CH2 3.97Å; F964-W997 HydrophobicContact CE1-CH2 3.97Å; F964-W997 AromaticContact CE1-CZ2 3.3Å; F964-W997 HydrophobicContact CE1-CZ2 3.3Å; F964-W997 AromaticContact CE1-NE1 3.87Å; F964-W997 AromaticContact CE2-CD1 3.59Å; F964-W997 AromaticContact CE2-CD2 3.88Å; F964-W997 HydrophobicContact CE2-CD2 3.88Å; F964-W997 AromaticContact CE2-CE2 3.56Å; F964-W997 AromaticContact CE2-CG 3.94Å; F964-W997 HydrophobicContact CE2-CG 3.94Å; F964-W997 HydrophobicContact CE2-CZ2 4.15Å; F964-W997 AromaticContact CE2-NE1 3.34Å; F964-W997 VanDerWaalsContact CE2-NE1 3.34Å; F964-W997 AromaticContact CZ-CD2 3.66Å; F964-W997 HydrophobicContact CZ-CD2 3.66Å; F964-W997 AromaticContact CZ-CE2 3.17Å; F964-W997 HydrophobicContact CZ-CE3 4.15Å; F964-W997 HydrophobicContact CZ-CG 4.23Å; F964-W997 AromaticContact CZ-CH2 3.86Å; F964-W997 HydrophobicContact CZ-CH2 3.86Å; F964-W997 AromaticContact CZ-CZ2 3.3Å; F964-W997 HydrophobicContact CZ-CZ2 3.3Å; F964-W997 HydrophobicContact CZ-CZ3 4.24Å; F964-W997 AromaticContact CZ-NE1 3.45Å; F964-W997 PolarHBondContact O-NE1 2.85Å; F964-Q1000 HydrophobicContact CD2-CB 4.35Å; F964-Q1000 HydrophobicContact CE2-CB 3.86Å; F964-C1001 HydrophobicContact CZ-CB 3.75Å; F964-V1004 HydrophobicContact CD1-CG2 3.99Å; F964-V1004 HydrophobicContact CE1-CG2 3.66Å; F964-V1004 HydrophobicContact CZ-CG2 4.11Å
965	T	93.4	Very high	93.3	Very high	12 Å²	12	27.7 Å²	27.7	7%	0.074	14%	0.143	C	C	.	.	H	α-helix	trans	-70.3	-33.8	-177.3	58.3	0	0	0	0	112.2	L951 V954 L961 A962 I967 A968 K969	L951-T965 HydrophobicContact CD1-CG2 4.45Å; V954-T965 HydrophobicContact CG1-CG2 3.99Å; L961-T965 HydrophobicContact CB-CG2 4.2Å; L961-T965 PolarHBondContact O-N 2.88Å; L961-T965 PolarHBondContact O-OG1 2.79Å; A962-T965 WeakPolarHBondContact CA-OG1 3.5Å; A962-T965 PolarHBondContact O-OG1 2.89Å; T965-I967 PolarHBondContact O-N 2.83Å; T965-A968 PolarHBondContact O-N 3.27Å; T965-K969 WeakPolarHBondContact O-CG 3.37Å; T965-K969 PolarHBondContact O-N 3.12Å
966	V	93.5	Very high	93.1	Very high	19 Å²	19	29.3 Å²	29.3	12%	0.115	15%	0.147	C	C	.	.	H	α-helix	trans	-61.8	-31.9	178.6	75.5	0	0	0	0	112.7	A962 P963 A968 K969 I970 A1036 S1061	A962-V966 VanDerWaalsContact O-CB 3.29Å; A962-V966 WeakPolarHBondContact O-CB 3.21Å; A962-V966 WeakPolarHBondContact O-CG1 3.41Å; A962-V966 PolarHBondContact O-N 3.4Å; P963-V966 WeakPolarHBondContact O-CG1 3.33Å; V966-A968 PolarHBondContact O-N 2.88Å; V966-K969 WeakPolarHBondContact O-CB 3.19Å; V966-K969 PolarHBondContact O-N 3.15Å; V966-K969 VanDerWaalsContact O-N 3.16Å; V966-I970 HydrophobicContact CG2-CD1 4.24Å; V966-I970 HydrophobicContact CG2-CG1 4.45Å; V966-I970 VanDerWaalsContact O-CG1 3.29Å; V966-I970 WeakPolarHBondContact O-CG1 3.26Å; V966-I970 PolarHBondContact O-N 3.47Å; V966-A1036 HydrophobicContact CG2-CB 3.67Å; V966-S1061 WeakPolarHBondContact CB-OG 3.22Å
967	I	94.6	Very high	92.7	Very high	66 Å²	66	32.1 Å²	32.1	34%	0.338	17%	0.165	S	C	.	.	H	α-helix	trans	-59	-49.8	176.3	-63.9	167.7	0	0	0	110	P963 F964 T965 K969 I970 L971	P963-I967 WeakPolarHBondContact O-CG1 3.4Å; F964-I967 PolarHBondContact O-N 3.2Å; T965-I967 PolarHBondContact O-N 2.83Å; I967-K969 VanDerWaalsContact C-N 3.31Å; I967-K969 PolarHBondContact O-N 3.19Å; I967-I970 WeakPolarHBondContact O-CB 3.45Å; I967-I970 PolarHBondContact O-N 2.77Å; I967-L971 WeakPolarHBondContact O-CG 3.46Å; I967-L971 PolarHBondContact O-N 3.28Å
968	A	94.4	Very high	92.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-36.1	177.2	0	0	0	0	0	112.3	L951 T965 V966 L971 M972 W997	L951-A968 HydrophobicContact CB-CB 4.39Å; L951-A968 HydrophobicContact CD1-CB 3.85Å; L951-A968 HydrophobicContact CD2-CB 4.13Å; L951-A968 HydrophobicContact CG-CB 4.33Å; T965-A968 PolarHBondContact O-N 3.27Å; V966-A968 PolarHBondContact O-N 2.88Å; A968-L971 PolarHBondContact O-N 2.69Å; A968-M972 WeakPolarHBondContact O-CB 3.49Å; A968-M972 PolarHBondContact O-N 2.8Å; A968-W997 HydrophobicContact CB-CD2 4.17Å; A968-W997 HydrophobicContact CB-CG 4.5Å; A968-W997 HydrophobicContact CB-CZ2 3.84Å
969	K	93.8	Very high	91.9	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.035	21%	0.207	C	C	.	.	H	α-helix	trans	-62.5	-41.7	173.5	-58.8	175.9	-173.5	179.6	0	111.5	W614 D617 L951 T965 V966 I967 M972 Q973 V1063	W614-K969 HydrophobicContact CH2-CB 4.18Å; W614-K969 HydrophobicContact CH2-CD 4.38Å; W614-K969 HydrophobicContact CH2-CG 3.88Å; W614-K969 HydrophobicContact CZ3-CD 3.91Å; W614-K969 HydrophobicContact CZ3-CG 3.9Å; D617-K969 IonicContact OD1-NZ 2.79Å; D617-K969 PolarHBondContact OD1-NZ 3.13Å; D617-K969 VanDerWaalsContact OD2-CE 3.27Å; D617-K969 WeakPolarHBondContact OD2-CE 2.9Å; D617-K969 IonicContact OD2-NZ 3.8Å; D617-K969 PolarHBondContact OD2-NZ 2.88Å; L951-K969 HydrophobicContact CD2-CG 3.93Å; T965-K969 WeakPolarHBondContact O-CG 3.37Å; T965-K969 PolarHBondContact O-N 3.12Å; V966-K969 WeakPolarHBondContact O-CB 3.19Å; V966-K969 PolarHBondContact O-N 3.15Å; V966-K969 VanDerWaalsContact O-N 3.16Å; I967-K969 VanDerWaalsContact C-N 3.31Å; I967-K969 PolarHBondContact O-N 3.19Å; K969-M972 WeakPolarHBondContact O-CB 3.45Å; K969-M972 PolarHBondContact O-N 3.46Å; K969-Q973 PolarHBondContact O-N 2.91Å; K969-V1063 HydrophobicContact CB-CG2 3.39Å
970	I	94.4	Very high	91.5	Very high	25 Å²	25	40.7 Å²	40.7	13%	0.128	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-45.5	174.8	-67.7	161	0	0	0	110.5	V966 I967 M972 Q973 K974 V1035 A1036 V1063	V966-I970 HydrophobicContact CG2-CD1 4.24Å; V966-I970 HydrophobicContact CG2-CG1 4.45Å; V966-I970 VanDerWaalsContact O-CG1 3.29Å; V966-I970 WeakPolarHBondContact O-CG1 3.26Å; V966-I970 PolarHBondContact O-N 3.47Å; I967-I970 WeakPolarHBondContact O-CB 3.45Å; I967-I970 PolarHBondContact O-N 2.77Å; I970-M972 VanDerWaalsContact C-N 3.31Å; I970-M972 PolarHBondContact O-N 2.63Å; I970-Q973 PolarHBondContact O-N 2.77Å; I970-K974 HydrophobicContact CG2-CD 4.47Å; I970-K974 WeakPolarHBondContact O-CG 3.18Å; I970-K974 PolarHBondContact O-N 3.04Å; I970-V1035 HydrophobicContact CD1-CB 4.33Å; I970-V1035 HydrophobicContact CD1-CG2 3.97Å; I970-A1036 HydrophobicContact CD1-CB 4.06Å; I970-A1036 HydrophobicContact CG1-CB 4.45Å; I970-V1063 HydrophobicContact CG1-CG1 4.12Å; I970-V1063 HydrophobicContact CG1-CG2 4.27Å
971	L	95.3	Very high	91	Very high	6 Å²	6	45 Å²	45	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-41.2	176.3	-61.3	-174.9	0	0	0	111.5	L947 I967 A968 Q973 K974 L975 I990 W994	L947-L971 HydrophobicContact CD1-CB 4Å; I967-L971 WeakPolarHBondContact O-CG 3.46Å; I967-L971 PolarHBondContact O-N 3.28Å; A968-L971 PolarHBondContact O-N 2.69Å; L971-Q973 PolarHBondContact O-N 2.94Å; L971-K974 WeakPolarHBondContact O-CB 3.47Å; L971-K974 PolarHBondContact O-N 2.8Å; L971-L975 WeakPolarHBondContact O-CG 3.26Å; L971-L975 PolarHBondContact O-N 2.83Å; L971-I990 HydrophobicContact CB-CG2 4.47Å; L971-I990 HydrophobicContact CD2-CG2 4.19Å; L971-W994 HydrophobicContact CD1-CB 4.13Å; L971-W994 HydrophobicContact CD1-CE3 4.25Å
972	M	92.7	Very high	90.5	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.03	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-43.7	176	-172.4	61	-175.4	0	0	111.7	K944 L947 L948 A968 K969 I970 L975 W976 W982	K944-M972 HydrophobicContact CD-CE 4.06Å; K944-M972 HydrophobicContact CD-SD 4.42Å; K944-M972 HydrophobicContact CG-CE 3.73Å; K944-M972 HydrophobicContact CG-SD 3.73Å; L947-M972 HydrophobicContact CD2-CB 3.94Å; L947-M972 HydrophobicContact CD2-CG 4.47Å; L947-M972 HydrophobicContact CD2-SD 4.06Å; L948-M972 HydrophobicContact CB-CE 4.34Å; L948-M972 HydrophobicContact CB-SD 4.46Å; L948-M972 HydrophobicContact CD2-CE 4.47Å; A968-M972 WeakPolarHBondContact O-CB 3.49Å; A968-M972 PolarHBondContact O-N 2.8Å; K969-M972 WeakPolarHBondContact O-CB 3.45Å; K969-M972 PolarHBondContact O-N 3.46Å; I970-M972 VanDerWaalsContact C-N 3.31Å; I970-M972 PolarHBondContact O-N 2.63Å; M972-L975 PolarHBondContact O-N 2.77Å; M972-W976 PolarHBondContact O-N 2.79Å; M972-W982 HydrophobicContact CE-CH2 3.63Å; M972-W982 HydrophobicContact CE-CZ3 3.55Å
973	Q	91.4	Very high	90.1	Very high	54 Å²	54	50.7 Å²	50.7	25%	0.252	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-40.6	175.5	-167.7	-172.1	67.3	0	0	111.7	K969 I970 L971 L975 W976 T977 V1063 A1064 V1066	K969-Q973 PolarHBondContact O-N 2.91Å; I970-Q973 PolarHBondContact O-N 2.77Å; L971-Q973 PolarHBondContact O-N 2.94Å; Q973-L975 VanDerWaalsContact C-N 3.34Å; Q973-L975 PolarHBondContact O-N 3.41Å; Q973-W976 WeakPolarHBondContact O-CB 3.34Å; Q973-W976 PolarHBondContact O-N 3.41Å; Q973-W976 VanDerWaalsContact O-N 3.15Å; Q973-T977 HydrophobicContact CG-CG2 4.48Å; Q973-T977 WeakPolarHBondContact O-CG2 3.49Å; Q973-T977 PolarHBondContact O-N 2.79Å; Q973-T977 PolarHBondContact O-OG1 3.28Å; Q973-V1063 HydrophobicContact CB-CG1 4.1Å; Q973-V1063 HydrophobicContact CG-CG1 4.35Å; Q973-A1064 PolarHBondContact NE2-O 2.89Å; Q973-V1066 HydrophobicContact CG-CG2 3.93Å
974	K	92.4	Very high	89.8	Confident	97 Å²	97	50.4 Å²	50.4	42%	0.422	25%	0.248	S	C	.	.	H	α-helix	trans	-60.6	-40.1	175.2	-72.5	179.5	179.5	-177.8	0	112.8	I970 L971 W976 T977 R978 I990	I970-K974 HydrophobicContact CG2-CD 4.47Å; I970-K974 WeakPolarHBondContact O-CG 3.18Å; I970-K974 PolarHBondContact O-N 3.04Å; L971-K974 WeakPolarHBondContact O-CB 3.47Å; L971-K974 PolarHBondContact O-N 2.8Å; K974-W976 VanDerWaalsContact C-N 3.32Å; K974-T977 PolarHBondContact O-OG1 2.75Å; K974-T977 VanDerWaalsContact O-OG1 3.1Å; K974-R978 WeakPolarHBondContact O-CG 3.43Å; K974-R978 PolarHBondContact O-N 2.87Å; K974-I990 HydrophobicContact CB-CD1 4.03Å
975	L	92.3	Very high	89.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-38.1	175.1	-67.5	174.1	0	0	0	111.5	K944 L947 L971 M972 Q973 R978 G979 I980 I986 I990	K944-L975 HydrophobicContact CB-CD1 4.19Å; K944-L975 HydrophobicContact CD-CB 4.15Å; K944-L975 HydrophobicContact CG-CB 4.27Å; K944-L975 HydrophobicContact CG-CD1 4.11Å; L947-L975 HydrophobicContact CD1-CD1 3.84Å; L971-L975 WeakPolarHBondContact O-CG 3.26Å; L971-L975 PolarHBondContact O-N 2.83Å; M972-L975 PolarHBondContact O-N 2.77Å; Q973-L975 VanDerWaalsContact C-N 3.34Å; Q973-L975 PolarHBondContact O-N 3.41Å; L975-R978 PolarHBondContact O-N 2.77Å; L975-G979 PolarHBondContact O-N 2.88Å; L975-I980 HydrophobicContact CD2-CB 4.49Å; L975-I980 HydrophobicContact CD2-CG1 4.1Å; L975-I980 PolarHBondContact O-N 3.29Å; L975-I986 HydrophobicContact CD1-CD1 4.35Å; L975-I986 HydrophobicContact CD1-CG1 3.95Å; L975-I986 HydrophobicContact CD2-CG1 4.3Å; L975-I986 HydrophobicContact CD2-CG2 4.26Å; L975-I990 HydrophobicContact CD2-CD1 3.78Å; L975-I990 HydrophobicContact CD2-CG2 4.31Å; L975-I990 HydrophobicContact CG-CD1 4.39Å
976	W	86.8	Confident	89.7	Confident	123 Å²	123	53 Å²	53	47%	0.466	27%	0.265	S	S	.	.	H	α-helix	trans	-65.1	-48	177.4	-166.1	-72.3	0	0	0	112.3	L610 M972 Q973 K974 R978 G979 W982	L610-W976 HydrophobicContact CD2-CH2 4.15Å; L610-W976 HydrophobicContact CD2-CZ3 3.63Å; M972-W976 PolarHBondContact O-N 2.79Å; Q973-W976 WeakPolarHBondContact O-CB 3.34Å; Q973-W976 PolarHBondContact O-N 3.41Å; Q973-W976 VanDerWaalsContact O-N 3.15Å; K974-W976 VanDerWaalsContact C-N 3.32Å; W976-R978 PolarHBondContact O-N 3.47Å; W976-G979 PolarHBondContact O-N 3.39Å; W976-W982 HydrophobicContact CZ3-CH2 4.39Å; W976-W982 HydrophobicContact CZ3-CZ2 4.09Å
977	T	85.7	Confident	89.6	Confident	82 Å²	82	53.6 Å²	53.6	50%	0.503	27%	0.269	S	S	.	.	H	α-helix	trans	-66.1	-21.5	-179.8	53.6	0	0	0	0	112.9	Q973 K974 V1066	Q973-T977 HydrophobicContact CG-CG2 4.48Å; Q973-T977 WeakPolarHBondContact O-CG2 3.49Å; Q973-T977 PolarHBondContact O-N 2.79Å; Q973-T977 PolarHBondContact O-OG1 3.28Å; K974-T977 PolarHBondContact O-OG1 2.75Å; K974-T977 VanDerWaalsContact O-OG1 3.1Å; T977-V1066 HydrophobicContact CG2-CG1 3.72Å; T977-V1066 HydrophobicContact CG2-CG2 4.05Å
978	R	87.8	Confident	89.3	Confident	127 Å²	127	59.7 Å²	59.7	48%	0.479	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.5	171.7	-73.3	-173.5	178.5	-174.8	4.5	114.8	K974 L975 W976 I980 D989	K974-R978 WeakPolarHBondContact O-CG 3.43Å; K974-R978 PolarHBondContact O-N 2.87Å; L975-R978 PolarHBondContact O-N 2.77Å; W976-R978 PolarHBondContact O-N 3.47Å; R978-I980 HydrophobicContact CB-CD1 4.28Å; R978-I980 HydrophobicContact CB-CG1 3.89Å; R978-I980 PolarHBondContact O-N 3.04Å; R978-D989 IonicContact CZ-OD1 3.67Å; R978-D989 IonicContact CZ-OD2 3.64Å; R978-D989 IonicContact NH1-OD1 2.73Å; R978-D989 PolarHBondContact NH1-OD1 3.21Å; R978-D989 IonicContact NH1-OD2 3.62Å; R978-D989 PolarHBondContact NH1-OD2 2.86Å; R978-D989 IonicContact NH2-OD2 3.53Å; R978-D989 PolarHBondContact NH2-OD2 2.83Å
979	G	84.5	Confident	88.9	Confident	47 Å²	47	64.2 Å²	64.2	49%	0.485	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	20.3	-179.2	0	0	0	0	0	114.5	L975 W976 Q981	L975-G979 PolarHBondContact O-N 2.88Å; W976-G979 PolarHBondContact O-N 3.39Å; G979-Q981 PolarHBondContact O-N 3.16Å; G979-Q981 PolarHBondContact O-NE2 3.26Å
980	I	85.4	Confident	88.8	Confident	24 Å²	24	64.1 Å²	64.1	12%	0.123	32%	0.317	C	S	.	.			trans	-62.7	132.2	178.2	-56.6	-61.2	0	0	0	109.4	K944 L975 R978 E984 P987	K944-I980 VanDerWaalsContact CE-O 3.31Å; K944-I980 WeakPolarHBondContact CE-O 3.49Å; K944-I980 PolarHBondContact NZ-O 2.77Å; L975-I980 HydrophobicContact CD2-CB 4.49Å; L975-I980 HydrophobicContact CD2-CG1 4.1Å; L975-I980 PolarHBondContact O-N 3.29Å; R978-I980 HydrophobicContact CB-CD1 4.28Å; R978-I980 HydrophobicContact CB-CG1 3.89Å; R978-I980 PolarHBondContact O-N 3.04Å; I980-E984 HydrophobicContact CG2-CB 3.79Å; I980-P987 HydrophobicContact CD1-CG 3.79Å; I980-P987 HydrophobicContact CG1-CG 4.23Å
981	Q	83.8	Confident	88.7	Confident	112 Å²	112	63.8 Å²	63.8	52%	0.523	32%	0.317	S	S	.	.			trans	-72.6	164.5	179.2	-60	-59.2	-43.1	0	0	112	G979 D983 E984	G979-Q981 PolarHBondContact O-N 3.16Å; G979-Q981 PolarHBondContact O-NE2 3.26Å; Q981-D983 VanDerWaalsContact C-N 3.28Å; Q981-D983 PolarHBondContact O-N 3.02Å; Q981-E984 HydrophobicContact CB-CB 4.33Å; Q981-E984 HydrophobicContact CB-CG 3.87Å; Q981-E984 HydrophobicContact CG-CG 4.47Å; Q981-E984 WeakPolarHBondContact CG-OE1 3.43Å; Q981-E984 PolarHBondContact N-OE2 2.78Å; Q981-E984 PolarHBondContact O-N 3.07Å
982	W	84	Confident	88.4	Confident	35 Å²	35	66.6 Å²	66.6	13%	0.133	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-39.2	-174.2	-78.1	111.5	0	0	0	114	T606 L610 T943 K944 R945 L948 M972 W976	T606-W982 HydrophobicContact CG2-CD2 3.96Å; T606-W982 HydrophobicContact CG2-CE3 4.21Å; T606-W982 HydrophobicContact CG2-CH2 3.94Å; T606-W982 HydrophobicContact CG2-CZ2 3.67Å; T606-W982 HydrophobicContact CG2-CZ3 4.2Å; L610-W982 HydrophobicContact CD2-CH2 4.18Å; L610-W982 HydrophobicContact CD2-CZ2 4.42Å; T943-W982 WeakPolarHBondContact CB-O 3.46Å; T943-W982 PolarHBondContact OG1-O 2.87Å; K944-W982 HydrophobicContact CB-CE3 4.42Å; K944-W982 HydrophobicContact CD-CE3 4.31Å; K944-W982 HydrophobicContact CD-CZ3 4.38Å; K944-W982 VanDerWaalsContact CE-CD2 3.5Å; K944-W982 VanDerWaalsContact CE-CE3 3.44Å; K944-W982 HydrophobicContact CG-CE3 4.07Å; K944-W982 HydrophobicContact CG-CZ3 4.1Å; K944-W982 PolarHBondContact N-O 3.43Å; R945-W982 HydrophobicContact CB-CE3 4.17Å; R945-W982 WeakPolarHBondContact CB-O 3.17Å; R945-W982 PolarHBondContact N-O 3.47Å; L948-W982 HydrophobicContact CD2-CH2 4.11Å; L948-W982 HydrophobicContact CD2-CZ3 3.95Å; M972-W982 HydrophobicContact CE-CH2 3.63Å; M972-W982 HydrophobicContact CE-CZ3 3.55Å; W976-W982 HydrophobicContact CZ3-CH2 4.39Å; W976-W982 HydrophobicContact CZ3-CZ2 4.09Å
983	D	82.3	Confident	88.4	Confident	100 Å²	100	69 Å²	69	54%	0.535	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	12.3	-172.7	-55.7	-61.1	0	0	0	112.3	T943 R945 Q981	T943-D983 VanDerWaalsContact CG2-O 3.32Å; T943-D983 WeakPolarHBondContact CG2-O 3.2Å; R945-D983 IonicContact CZ-OD1 2.78Å; R945-D983 IonicContact CZ-OD2 3.55Å; R945-D983 IonicContact NE-OD1 2.68Å; R945-D983 PolarHBondContact NE-OD1 3.21Å; R945-D983 IonicContact NE-OD2 2.82Å; R945-D983 IonicContact NH2-OD1 3.93Å; R945-D983 IonicContact NH2-OD2 3.59Å; R945-D983 PolarHBondContact NH2-OD2 2.96Å; Q981-D983 VanDerWaalsContact C-N 3.28Å; Q981-D983 PolarHBondContact O-N 3.02Å
984	E	84.1	Confident	88.5	Confident	93 Å²	93	66.6 Å²	66.6	44%	0.435	35%	0.348	S	S	.	.	S	Bend	trans	-79.3	143.1	167.8	-82.1	171.9	-171.2	0	0	111	T943 I980 Q981	T943-E984 VanDerWaalsContact CA-O 3.22Å; T943-E984 WeakPolarHBondContact CA-O 3.48Å; T943-E984 VanDerWaalsContact CB-O 3.28Å; T943-E984 WeakPolarHBondContact CB-O 3.44Å; I980-E984 HydrophobicContact CG2-CB 3.79Å; Q981-E984 HydrophobicContact CB-CB 4.33Å; Q981-E984 HydrophobicContact CB-CG 3.87Å; Q981-E984 HydrophobicContact CG-CG 4.47Å; Q981-E984 WeakPolarHBondContact CG-OE1 3.43Å; Q981-E984 PolarHBondContact N-OE2 2.78Å; Q981-E984 PolarHBondContact O-N 3.07Å
985	V	90.4	Very high	88.6	Confident	82 Å²	82	64.3 Å²	64.3	50%	0.497	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-66.3	137.7	179	178.4	0	0	0	0	110.3	L941	L941-V985 HydrophobicContact CB-CG1 4.1Å
986	I	93.5	Very high	88.6	Confident	7 Å²	7	66.9 Å²	66.9	4%	0.036	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-58	128.2	177.3	-69.5	165.7	0	0	0	110.4	D942 L947 L975 I990 W994	D942-I986 HydrophobicContact CB-CD1 4.08Å; D942-I986 WeakPolarHBondContact O-CB 3.46Å; D942-I986 WeakPolarHBondContact O-CD1 3.28Å; D942-I986 WeakPolarHBondContact O-CG1 3.41Å; D942-I986 PolarHBondContact O-N 2.93Å; L947-I986 HydrophobicContact CB-CD1 4.19Å; L947-I986 HydrophobicContact CD1-CD1 4.08Å; L975-I986 HydrophobicContact CD1-CD1 4.35Å; L975-I986 HydrophobicContact CD1-CG1 3.95Å; L975-I986 HydrophobicContact CD2-CG1 4.3Å; L975-I986 HydrophobicContact CD2-CG2 4.26Å; I986-I990 HydrophobicContact CG2-CB 3.82Å; I986-I990 HydrophobicContact CG2-CG2 3.64Å; I986-W994 HydrophobicContact CD1-CG 4.03Å
987	P	92.6	Very high	88.9	Confident	32 Å²	32	61.1 Å²	61.1	21%	0.208	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-54	144.4	176.8	-29.1	36.8	0	0	0	113.3	I980 D989 I990 S991	I980-P987 HydrophobicContact CD1-CG 3.79Å; I980-P987 HydrophobicContact CG1-CG 4.23Å; P987-D989 VanDerWaalsContact CB-OD1 3.23Å; P987-D989 WeakPolarHBondContact CB-OD1 3.4Å; P987-D989 PolarHBondContact O-N 3.49Å; P987-D989 VanDerWaalsContact O-N 3.12Å; P987-I990 PolarHBondContact O-N 3.41Å; P987-S991 WeakPolarHBondContact O-CB 3.26Å; P987-S991 PolarHBondContact O-N 3.44Å
988	K	87.4	Confident	89.3	Confident	194 Å²	194	57.3 Å²	57.3	84%	0.843	31%	0.312	S	S	*	.	H	α-helix	trans	-54.1	-36.6	-172.5	-70.5	-175.2	178.3	-179.4	0	114	S991	K988-S991 WeakPolarHBondContact O-CB 3.34Å; K988-S991 PolarHBondContact O-N 2.9Å
989	D	86.8	Confident	89.5	Confident	94 Å²	94	58.9 Å²	58.9	50%	0.503	32%	0.318	S	S	.	.	H	α-helix	trans	-70.5	-29.3	-179.3	65.5	-53.3	0	0	0	113.3	R978 P987	R978-D989 IonicContact CZ-OD1 3.67Å; R978-D989 IonicContact CZ-OD2 3.64Å; R978-D989 IonicContact NH1-OD1 2.73Å; R978-D989 PolarHBondContact NH1-OD1 3.21Å; R978-D989 IonicContact NH1-OD2 3.62Å; R978-D989 PolarHBondContact NH1-OD2 2.86Å; R978-D989 IonicContact NH2-OD2 3.53Å; R978-D989 PolarHBondContact NH2-OD2 2.83Å; P987-D989 VanDerWaalsContact CB-OD1 3.23Å; P987-D989 WeakPolarHBondContact CB-OD1 3.4Å; P987-D989 PolarHBondContact O-N 3.49Å; P987-D989 VanDerWaalsContact O-N 3.12Å
990	I	91.8	Very high	89.7	Confident	6 Å²	6	60.7 Å²	60.7	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-87.1	-31.1	172.5	-64.6	174.3	0	0	0	110.6	L971 K974 L975 I986 P987 A992 S993 W994	L971-I990 HydrophobicContact CB-CG2 4.47Å; L971-I990 HydrophobicContact CD2-CG2 4.19Å; K974-I990 HydrophobicContact CB-CD1 4.03Å; L975-I990 HydrophobicContact CD2-CD1 3.78Å; L975-I990 HydrophobicContact CD2-CG2 4.31Å; L975-I990 HydrophobicContact CG-CD1 4.39Å; I986-I990 HydrophobicContact CG2-CB 3.82Å; I986-I990 HydrophobicContact CG2-CG2 3.64Å; P987-I990 PolarHBondContact O-N 3.41Å; I990-A992 VanDerWaalsContact C-N 3.28Å; I990-A992 PolarHBondContact O-N 3.32Å; I990-S993 PolarHBondContact O-N 3.49Å; I990-W994 PolarHBondContact O-N 3.43Å
991	S	91.4	Very high	90	Very high	18 Å²	18	59.6 Å²	59.6	13%	0.126	31%	0.308	C	S	.	.	H	α-helix	trans	-57.5	-38	-176.4	-169.2	0	0	0	0	112.4	P987 K988 W994 I995	P987-S991 WeakPolarHBondContact O-CB 3.26Å; P987-S991 PolarHBondContact O-N 3.44Å; K988-S991 WeakPolarHBondContact O-CB 3.34Å; K988-S991 PolarHBondContact O-N 2.9Å; S991-W994 PolarHBondContact O-N 3.28Å; S991-I995 WeakPolarHBondContact O-CB 3.44Å; S991-I995 VanDerWaalsContact O-CG1 3.24Å; S991-I995 WeakPolarHBondContact O-CG1 3.13Å; S991-I995 PolarHBondContact O-N 2.91Å
992	A	89.7	Confident	90	Very high	66 Å²	66	58.4 Å²	58.4	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-60.4	-49.6	176.7	0	0	0	0	0	112.6	I990 W994 I995 S996	I990-A992 VanDerWaalsContact C-N 3.28Å; I990-A992 PolarHBondContact O-N 3.32Å; A992-W994 VanDerWaalsContact C-N 3.29Å; A992-W994 PolarHBondContact O-N 2.81Å; A992-I995 PolarHBondContact O-N 2.85Å; A992-S996 PolarHBondContact O-N 2.94Å
993	S	91.7	Very high	90.1	Very high	57 Å²	57	60.7 Å²	60.7	40%	0.399	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-37.4	175.7	-56.2	0	0	0	0	111.8	I990 S996 W997	I990-S993 PolarHBondContact O-N 3.49Å; S993-S996 WeakPolarHBondContact O-CB 3.26Å; S993-S996 PolarHBondContact O-N 3.37Å; S993-W997 WeakPolarHBondContact O-CB 3.23Å; S993-W997 PolarHBondContact O-N 3.23Å
994	W	95.2	Very high	90.3	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-65.3	-44.6	176.1	176.1	-123.2	0	0	0	112.6	D942 L947 A950 L971 I986 I990 S991 A992 S996 W997 K998	D942-W994 PolarHBondContact OD2-NE1 3.34Å; L947-W994 HydrophobicContact CB-CH2 4.37Å; L947-W994 HydrophobicContact CB-CZ2 4.29Å; L947-W994 HydrophobicContact CD1-CD2 4.14Å; L947-W994 HydrophobicContact CD1-CE3 3.91Å; L947-W994 HydrophobicContact CD1-CZ3 4.32Å; L947-W994 HydrophobicContact CG-CD2 4.23Å; L947-W994 HydrophobicContact CG-CE3 3.88Å; L947-W994 HydrophobicContact CG-CH2 4.05Å; L947-W994 HydrophobicContact CG-CZ2 4.37Å; L947-W994 HydrophobicContact CG-CZ3 3.78Å; A950-W994 HydrophobicContact CB-CH2 3.59Å; A950-W994 HydrophobicContact CB-CZ2 3.9Å; L971-W994 HydrophobicContact CD1-CB 4.13Å; L971-W994 HydrophobicContact CD1-CE3 4.25Å; I986-W994 HydrophobicContact CD1-CG 4.03Å; I990-W994 PolarHBondContact O-N 3.43Å; S991-W994 PolarHBondContact O-N 3.28Å; A992-W994 VanDerWaalsContact C-N 3.29Å; A992-W994 PolarHBondContact O-N 2.81Å; W994-S996 VanDerWaalsContact C-N 3.3Å; W994-S996 PolarHBondContact O-N 3.34Å; W994-W997 HydrophobicContact CE3-CB 4.22Å; W994-W997 HydrophobicContact CE3-CD2 4.34Å; W994-W997 HydrophobicContact CE3-CE3 4.01Å; W994-W997 HydrophobicContact CE3-CG 4.46Å; W994-W997 HydrophobicContact CH2-CD2 4.48Å; W994-W997 AromaticContact CH2-CE3 3.52Å; W994-W997 HydrophobicContact CH2-CE3 3.52Å; W994-W997 AromaticContact CH2-CZ3 3.57Å; W994-W997 HydrophobicContact CH2-CZ3 3.57Å; W994-W997 HydrophobicContact CZ3-CB 4.46Å; W994-W997 AromaticContact CZ3-CD2 3.7Å; W994-W997 HydrophobicContact CZ3-CD2 3.7Å; W994-W997 AromaticContact CZ3-CE3 3.14Å; W994-W997 HydrophobicContact CZ3-CE3 3.14Å; W994-W997 HydrophobicContact CZ3-CG 4.26Å; W994-W997 HydrophobicContact CZ3-CH2 4.5Å; W994-W997 AromaticContact CZ3-CZ3 3.62Å; W994-W997 HydrophobicContact CZ3-CZ3 3.62Å; W994-W997 PolarHBondContact O-N 3.11Å; W994-K998 HydrophobicContact CD2-CG 4.17Å; W994-K998 HydrophobicContact CH2-CG 4.02Å; W994-K998 HydrophobicContact CZ2-CD 3.73Å; W994-K998 HydrophobicContact CZ2-CG 3.62Å; W994-K998 HydrophobicContact CZ3-CG 4.48Å; W994-K998 WeakPolarHBondContact O-CG 3.32Å; W994-K998 PolarHBondContact O-N 3.23Å
995	I	93.2	Very high	90.3	Very high	50 Å²	50	55.1 Å²	55.1	26%	0.256	30%	0.295	S	S	.	.	H	α-helix	trans	-61.1	-42.2	174.9	-70.4	164.3	0	0	0	110.3	V938 S991 A992 K998 R999	V938-I995 HydrophobicContact CG1-CG2 4.02Å; S991-I995 WeakPolarHBondContact O-CB 3.44Å; S991-I995 VanDerWaalsContact O-CG1 3.24Å; S991-I995 WeakPolarHBondContact O-CG1 3.13Å; S991-I995 PolarHBondContact O-N 2.91Å; A992-I995 PolarHBondContact O-N 2.85Å; I995-K998 PolarHBondContact O-N 3.47Å; I995-R999 WeakPolarHBondContact O-CG 3.49Å; I995-R999 PolarHBondContact O-N 2.76Å
996	S	91.8	Very high	90	Very high	53 Å²	53	56.8 Å²	56.8	37%	0.371	30%	0.298	S	S	.	.	H	α-helix	trans	-59.6	-47.3	174.7	-170.8	0	0	0	0	111.7	A992 S993 W994 K998 R999 Q1000	A992-S996 PolarHBondContact O-N 2.94Å; S993-S996 WeakPolarHBondContact O-CB 3.26Å; S993-S996 PolarHBondContact O-N 3.37Å; W994-S996 VanDerWaalsContact C-N 3.3Å; W994-S996 PolarHBondContact O-N 3.34Å; S996-K998 PolarHBondContact O-N 3.18Å; S996-R999 WeakPolarHBondContact O-CB 3.47Å; S996-R999 PolarHBondContact O-N 2.74Å; S996-R999 VanDerWaalsContact O-N 3.17Å; S996-Q1000 WeakPolarHBondContact O-CG 3.15Å; S996-Q1000 PolarHBondContact O-N 2.64Å
997	W	94.5	Very high	89.7	Confident	3 Å²	3	59.5 Å²	59.5	1%	0.011	31%	0.314	C	S	.	.	H	α-helix	trans	-59.5	-44.3	177	-171.3	92.8	0	0	0	111.9	L936 A950 L951 V954 F964 A968 S993 W994 R999 Q1000 C1001	L936-W997 HydrophobicContact CD1-CE3 4.43Å; L936-W997 HydrophobicContact CD1-CZ3 3.71Å; A950-W997 HydrophobicContact CB-CZ3 4.46Å; L951-W997 HydrophobicContact CD1-CZ2 4.28Å; V954-W997 HydrophobicContact CG2-CH2 3.88Å; V954-W997 HydrophobicContact CG2-CZ2 4.34Å; F964-W997 HydrophobicContact CD1-CZ2 4.14Å; F964-W997 AromaticContact CD2-CD1 3.98Å; F964-W997 AromaticContact CD2-NE1 3.67Å; F964-W997 HydrophobicContact CE1-CD2 4.5Å; F964-W997 AromaticContact CE1-CE2 3.6Å; F964-W997 AromaticContact CE1-CH2 3.97Å; F964-W997 HydrophobicContact CE1-CH2 3.97Å; F964-W997 AromaticContact CE1-CZ2 3.3Å; F964-W997 HydrophobicContact CE1-CZ2 3.3Å; F964-W997 AromaticContact CE1-NE1 3.87Å; F964-W997 AromaticContact CE2-CD1 3.59Å; F964-W997 AromaticContact CE2-CD2 3.88Å; F964-W997 HydrophobicContact CE2-CD2 3.88Å; F964-W997 AromaticContact CE2-CE2 3.56Å; F964-W997 AromaticContact CE2-CG 3.94Å; F964-W997 HydrophobicContact CE2-CG 3.94Å; F964-W997 HydrophobicContact CE2-CZ2 4.15Å; F964-W997 AromaticContact CE2-NE1 3.34Å; F964-W997 VanDerWaalsContact CE2-NE1 3.34Å; F964-W997 AromaticContact CZ-CD2 3.66Å; F964-W997 HydrophobicContact CZ-CD2 3.66Å; F964-W997 AromaticContact CZ-CE2 3.17Å; F964-W997 HydrophobicContact CZ-CE3 4.15Å; F964-W997 HydrophobicContact CZ-CG 4.23Å; F964-W997 AromaticContact CZ-CH2 3.86Å; F964-W997 HydrophobicContact CZ-CH2 3.86Å; F964-W997 AromaticContact CZ-CZ2 3.3Å; F964-W997 HydrophobicContact CZ-CZ2 3.3Å; F964-W997 HydrophobicContact CZ-CZ3 4.24Å; F964-W997 AromaticContact CZ-NE1 3.45Å; F964-W997 PolarHBondContact O-NE1 2.85Å; A968-W997 HydrophobicContact CB-CD2 4.17Å; A968-W997 HydrophobicContact CB-CG 4.5Å; A968-W997 HydrophobicContact CB-CZ2 3.84Å; S993-W997 WeakPolarHBondContact O-CB 3.23Å; S993-W997 PolarHBondContact O-N 3.23Å; W994-W997 HydrophobicContact CE3-CB 4.22Å; W994-W997 HydrophobicContact CE3-CD2 4.34Å; W994-W997 HydrophobicContact CE3-CE3 4.01Å; W994-W997 HydrophobicContact CE3-CG 4.46Å; W994-W997 HydrophobicContact CH2-CD2 4.48Å; W994-W997 AromaticContact CH2-CE3 3.52Å; W994-W997 HydrophobicContact CH2-CE3 3.52Å; W994-W997 AromaticContact CH2-CZ3 3.57Å; W994-W997 HydrophobicContact CH2-CZ3 3.57Å; W994-W997 HydrophobicContact CZ3-CB 4.46Å; W994-W997 AromaticContact CZ3-CD2 3.7Å; W994-W997 HydrophobicContact CZ3-CD2 3.7Å; W994-W997 AromaticContact CZ3-CE3 3.14Å; W994-W997 HydrophobicContact CZ3-CE3 3.14Å; W994-W997 HydrophobicContact CZ3-CG 4.26Å; W994-W997 HydrophobicContact CZ3-CH2 4.5Å; W994-W997 AromaticContact CZ3-CZ3 3.62Å; W994-W997 HydrophobicContact CZ3-CZ3 3.62Å; W994-W997 PolarHBondContact O-N 3.11Å; W997-R999 VanDerWaalsContact C-N 3.32Å; W997-R999 PolarHBondContact O-N 2.95Å; W997-Q1000 PolarHBondContact O-N 3.18Å; W997-C1001 HydrophobicContact CZ3-CB 4.35Å; W997-C1001 PolarHBondContact O-N 3.25Å
998	K	94.1	Very high	89.6	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.009	33%	0.328	C	S	.	.	H	α-helix	trans	-59.9	-39.4	175.1	-72.1	-167.2	-67.7	-178.3	0	112.7	L936 N937 V938 S940 D942 W994 I995 S996 C1001	L936-K998 HydrophobicContact CD1-CG 4.22Å; N937-K998 PolarHBondContact O-NZ 2.94Å; V938-K998 HydrophobicContact CG2-CB 4.31Å; V938-K998 WeakPolarHBondContact O-CE 3.41Å; V938-K998 PolarHBondContact O-NZ 3.29Å; V938-K998 VanDerWaalsContact O-NZ 3.1Å; S940-K998 PolarHBondContact O-NZ 3.06Å; S940-K998 PolarHBondContact OG-NZ 2.77Å; D942-K998 WeakPolarHBondContact OD2-CD 3.48Å; D942-K998 WeakPolarHBondContact OD2-CE 3.38Å; D942-K998 IonicContact OD2-NZ 4Å; D942-K998 PolarHBondContact OD2-NZ 2.97Å; W994-K998 HydrophobicContact CD2-CG 4.17Å; W994-K998 HydrophobicContact CH2-CG 4.02Å; W994-K998 HydrophobicContact CZ2-CD 3.73Å; W994-K998 HydrophobicContact CZ2-CG 3.62Å; W994-K998 HydrophobicContact CZ3-CG 4.48Å; W994-K998 WeakPolarHBondContact O-CG 3.32Å; W994-K998 PolarHBondContact O-N 3.23Å; I995-K998 PolarHBondContact O-N 3.47Å; S996-K998 PolarHBondContact O-N 3.18Å; K998-C1001 VanDerWaalsContact O-CB 3.3Å; K998-C1001 WeakPolarHBondContact O-CB 3.37Å; K998-C1001 PolarHBondContact O-N 2.94Å
999	R	91.6	Very high	89.8	Confident	160 Å²	160	55.1 Å²	55.1	60%	0.604	29%	0.294	S	S	*	.	H	α-helix	trans	-66.3	-43.7	176.1	-72	174.9	-179.2	177.1	-0.5	111.6	V938 I995 S996 W997 C1001 T1002	V938-R999 HydrophobicContact CG1-CG 3.59Å; V938-R999 HydrophobicContact CG2-CG 4.27Å; I995-R999 WeakPolarHBondContact O-CG 3.49Å; I995-R999 PolarHBondContact O-N 2.76Å; S996-R999 WeakPolarHBondContact O-CB 3.47Å; S996-R999 PolarHBondContact O-N 2.74Å; S996-R999 VanDerWaalsContact O-N 3.17Å; W997-R999 VanDerWaalsContact C-N 3.32Å; W997-R999 PolarHBondContact O-N 2.95Å; R999-C1001 PolarHBondContact O-N 2.63Å; R999-T1002 PolarHBondContact O-N 2.97Å; R999-T1002 PolarHBondContact O-OG1 3.05Å
1000	Q	88.9	Confident	90.1	Very high	85 Å²	85	54 Å²	54	40%	0.397	29%	0.285	S	S	.	.	H	α-helix	trans	-66.8	-27.6	177.2	-69.9	173.8	5.5	0	0	112.2	F964 S996 W997 T1002 L1003	F964-Q1000 HydrophobicContact CD2-CB 4.35Å; F964-Q1000 HydrophobicContact CE2-CB 3.86Å; S996-Q1000 WeakPolarHBondContact O-CG 3.15Å; S996-Q1000 PolarHBondContact O-N 2.64Å; W997-Q1000 PolarHBondContact O-N 3.18Å; Q1000-T1002 PolarHBondContact O-N 3.34Å; Q1000-T1002 VanDerWaalsContact O-N 3.13Å; Q1000-L1003 WeakPolarHBondContact O-CB 3.5Å; Q1000-L1003 PolarHBondContact O-N 3.4Å
1001	C	91.2	Very high	90.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.007	28%	0.284	C	S	.	.	H	α-helix	trans	-57.3	-28.9	178.4	-160.4	0	0	0	0	113.3	P934 L936 F964 W997 K998 R999 L1003 V1004	P934-C1001 VanDerWaalsContact CG-SG 3.57Å; L936-C1001 HydrophobicContact CD1-CB 3.92Å; F964-C1001 HydrophobicContact CZ-CB 3.75Å; W997-C1001 HydrophobicContact CZ3-CB 4.35Å; W997-C1001 PolarHBondContact O-N 3.25Å; K998-C1001 VanDerWaalsContact O-CB 3.3Å; K998-C1001 WeakPolarHBondContact O-CB 3.37Å; K998-C1001 PolarHBondContact O-N 2.94Å; R999-C1001 PolarHBondContact O-N 2.63Å; C1001-L1003 PolarHBondContact O-N 3.48Å; C1001-V1004 WeakPolarHBondContact O-CB 3.44Å; C1001-V1004 WeakPolarHBondContact O-CG2 3.47Å; C1001-V1004 PolarHBondContact O-N 3.45Å
1002	T	83.7	Confident	90.4	Very high	87 Å²	87	53 Å²	53	53%	0.534	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.4	175.9	63.2	0	0	0	0	113.1	R999 Q1000	R999-T1002 PolarHBondContact O-N 2.97Å; R999-T1002 PolarHBondContact O-OG1 3.05Å; Q1000-T1002 PolarHBondContact O-N 3.34Å; Q1000-T1002 VanDerWaalsContact O-N 3.13Å
1003	L	86.4	Confident	90.6	Very high	83 Å²	83	49.9 Å²	49.9	44%	0.435	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-6.2	177.9	-55.9	176.1	0	0	0	112.7	Q1000 C1001 M1005 E1006	Q1000-L1003 WeakPolarHBondContact O-CB 3.5Å; Q1000-L1003 PolarHBondContact O-N 3.4Å; C1001-L1003 PolarHBondContact O-N 3.48Å; L1003-M1005 PolarHBondContact O-N 3.46Å; L1003-E1006 VanDerWaalsContact O-CB 3.3Å; L1003-E1006 WeakPolarHBondContact O-CB 3.28Å; L1003-E1006 PolarHBondContact O-N 2.92Å
1004	V	87.3	Confident	90.2	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.03	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-55.9	-36.6	-178.7	162.6	0	0	0	0	112.2	V931 A933 L961 F964 C1001 E1006 V1007	V931-V1004 HydrophobicContact CB-CG1 3.92Å; V931-V1004 HydrophobicContact CG1-CG1 3.96Å; A933-V1004 HydrophobicContact CB-CB 4.29Å; L961-V1004 HydrophobicContact CD1-CB 4.37Å; L961-V1004 HydrophobicContact CD1-CG1 3.39Å; L961-V1004 HydrophobicContact CD1-CG2 4.15Å; L961-V1004 HydrophobicContact CD2-CG1 4.38Å; F964-V1004 HydrophobicContact CD1-CG2 3.99Å; F964-V1004 HydrophobicContact CE1-CG2 3.66Å; F964-V1004 HydrophobicContact CZ-CG2 4.11Å; C1001-V1004 WeakPolarHBondContact O-CB 3.44Å; C1001-V1004 WeakPolarHBondContact O-CG2 3.47Å; C1001-V1004 PolarHBondContact O-N 3.45Å; V1004-E1006 PolarHBondContact O-N 3.38Å; V1004-V1007 PolarHBondContact O-N 2.86Å; V1004-V1007 VanDerWaalsContact O-N 3.16Å
1005	M	82.6	Confident	89.7	Confident	71 Å²	71	52 Å²	52	35%	0.35	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-67.7	-18	177.8	-81.9	171.7	42.3	0	0	114.2	W921 A933 L1003 V1007	W921-M1005 HydrophobicContact CE3-CG 4.38Å; W921-M1005 HydrophobicContact CE3-SD 4.49Å; W921-M1005 HydrophobicContact CH2-CE 3.96Å; W921-M1005 HydrophobicContact CH2-SD 3.73Å; W921-M1005 HydrophobicContact CZ3-CE 3.44Å; W921-M1005 VanDerWaalsContact CZ3-CE 3.44Å; W921-M1005 HydrophobicContact CZ3-CG 3.83Å; W921-M1005 HydrophobicContact CZ3-SD 3.43Å; W921-M1005 WeakPolarHBondContact CZ3-SD 3.29Å; A933-M1005 HydrophobicContact CB-CG 3.68Å; A933-M1005 HydrophobicContact CB-SD 3.78Å; L1003-M1005 PolarHBondContact O-N 3.46Å; M1005-V1007 VanDerWaalsContact C-N 3.31Å
1006	E	84.4	Confident	89.1	Confident	117 Å²	117	50 Å²	50	55%	0.547	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-78.5	-19.9	175.6	-58.1	-63.3	154.6	0	0	111.6	L1003 V1004 K1008	L1003-E1006 VanDerWaalsContact O-CB 3.3Å; L1003-E1006 WeakPolarHBondContact O-CB 3.28Å; L1003-E1006 PolarHBondContact O-N 2.92Å; V1004-E1006 PolarHBondContact O-N 3.38Å; E1006-K1008 PolarHBondContact O-N 3.19Å
1007	V	88.2	Confident	88.2	Confident	64 Å²	64	50.7 Å²	50.7	39%	0.388	25%	0.246	S	C	.	.			trans	-76.4	92.1	173.9	-174.8	0	0	0	0	108.7	L961 V1004 M1005	L961-V1007 HydrophobicContact CD2-CB 3.88Å; L961-V1007 HydrophobicContact CD2-CG1 3.93Å; L961-V1007 HydrophobicContact CD2-CG2 3.9Å; V1004-V1007 PolarHBondContact O-N 2.86Å; V1004-V1007 VanDerWaalsContact O-N 3.16Å; M1005-V1007 VanDerWaalsContact C-N 3.31Å
1008	K	90.3	Very high	87	Confident	114 Å²	114	57.3 Å²	57.3	50%	0.496	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.6	178.3	-60.9	-179	-173.9	179.1	0	110.1	L928 M929 A930 E1006	L928-K1008 HydrophobicContact CB-CB 4.34Å; L928-K1008 HydrophobicContact CD1-CB 4.16Å; L928-K1008 HydrophobicContact CD1-CD 3.88Å; L928-K1008 HydrophobicContact CD2-CB 4.31Å; M929-K1008 WeakPolarHBondContact O-CA 3.39Å; A930-K1008 HydrophobicContact CB-CG 4.44Å; E1006-K1008 PolarHBondContact O-N 3.19Å
1009	V	92.1	Very high	85.8	Confident	20 Å²	20	65.1 Å²	65.1	12%	0.121	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139.7	-179.8	-177.7	0	0	0	0	108.9	L928 M929 W960 R1011 I1056	L928-V1009 CarbonylContact C-O 3.16Å; L928-V1009 WeakPolarHBondContact CA-O 3.42Å; M929-V1009 PolarHBondContact N-O 2.76Å; M929-V1009 PolarHBondContact O-N 3.34Å; W960-V1009 HydrophobicContact CB-CG2 4.26Å; W960-V1009 HydrophobicContact CD2-CB 4.03Å; W960-V1009 HydrophobicContact CD2-CG1 4.38Å; W960-V1009 HydrophobicContact CD2-CG2 3.63Å; W960-V1009 HydrophobicContact CE3-CB 4.12Å; W960-V1009 HydrophobicContact CE3-CG2 3.84Å; W960-V1009 HydrophobicContact CG-CG2 3.84Å; W960-V1009 HydrophobicContact CH2-CB 4.25Å; W960-V1009 HydrophobicContact CZ2-CB 4.12Å; W960-V1009 HydrophobicContact CZ2-CG1 4.07Å; W960-V1009 HydrophobicContact CZ3-CB 4.25Å; W960-V1009 HydrophobicContact CZ3-CG2 4.45Å; V1009-R1011 PolarHBondContact O-N 3.02Å; V1009-I1056 HydrophobicContact CG1-CG2 3.83Å
1010	Q	92.4	Very high	84.9	Confident	70 Å²	70	59.3 Å²	59.3	33%	0.327	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	127.4	172.7	-73.1	-71.7	-44.4	0	0	109.9	R770 L928	R770-Q1010 PolarHBondContact NE-O 3.4Å; R770-Q1010 PolarHBondContact NH2-O 3.47Å; L928-Q1010 HydrophobicContact CD2-CG 4.34Å
1011	R	95.1	Very high	83.9	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.322	C	S	.	.	S	Bend	trans	-60.9	-61.4	173.8	-176.1	-162	55.5	75.6	13.6	108.2	F769 R770 Y772 R773 D927 M929 V1009 L1013	F769-R1011 HydrophobicContact CD1-CG 4.1Å; F769-R1011 HydrophobicContact CE1-CG 3.92Å; F769-R1011 VanDerWaalsContact CZ-CD 3.42Å; F769-R1011 PolarHBondContact O-NH1 2.9Å; R770-R1011 WeakPolarHBondContact CA-O 3.41Å; R770-R1011 WeakPolarHBondContact CB-O 3.4Å; R770-R1011 HydrophobicContact CG-CG 4.1Å; R770-R1011 WeakPolarHBondContact CG-O 3.4Å; R770-R1011 PolarHBondContact NE-O 3.17Å; Y772-R1011 VanDerWaalsContact O-CZ 3.26Å; Y772-R1011 PolarHBondContact O-NH1 2.7Å; Y772-R1011 PolarHBondContact O-NH2 2.86Å; R773-R1011 PolarHBondContact O-NH2 3.23Å; D927-R1011 WeakPolarHBondContact O-CB 3.47Å; D927-R1011 PolarHBondContact O-N 3.45Å; D927-R1011 WeakPolarHBondContact OD1-CB 3.4Å; D927-R1011 WeakPolarHBondContact OD1-CD 3.34Å; D927-R1011 IonicContact OD1-CZ 2.78Å; D927-R1011 IonicContact OD1-NE 2.89Å; D927-R1011 PolarHBondContact OD1-NE 3.25Å; D927-R1011 IonicContact OD1-NH2 3.92Å; D927-R1011 IonicContact OD2-CZ 3.96Å; D927-R1011 IonicContact OD2-NE 2.71Å; D927-R1011 PolarHBondContact OD2-NE 2.86Å; D927-R1011 IonicContact OD2-NH2 3.95Å; D927-R1011 PolarHBondContact OD2-NH2 3.01Å; M929-R1011 HydrophobicContact CG-CB 3.83Å; M929-R1011 HydrophobicContact CG-CG 4.05Å; M929-R1011 HydrophobicContact SD-CB 4.1Å; M929-R1011 HydrophobicContact SD-CG 3.73Å; V1009-R1011 PolarHBondContact O-N 3.02Å; R1011-L1013 PolarHBondContact O-N 2.89Å
1012	S	94.4	Very high	83.5	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.021	33%	0.329	C	S	.	.			trans	-66.5	127.9	-175.7	-166.6	0	0	0	0	112.9	R770 Y772 R1014	R770-S1012 CarbonylContact O-C 3.44Å; R770-S1012 WeakPolarHBondContact O-CA 3.43Å; Y772-S1012 WeakPolarHBondContact O-CB 3.49Å; Y772-S1012 PolarHBondContact O-OG 3.06Å; S1012-R1014 PolarHBondContact OG-N 2.84Å; S1012-R1014 VanDerWaalsContact OG-N 3.14Å
1013	L	93	Very high	83.5	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.322	C	S	.	.			trans	-78.6	-7.7	167.1	-63.1	174.3	0	0	0	111.7	R770 R1011 I1015 L1043 N1055 I1057 L1093	R770-L1013 HydrophobicContact CB-CD1 4.26Å; R770-L1013 HydrophobicContact CB-CG 4.1Å; R770-L1013 WeakPolarHBondContact O-CB 3.12Å; R770-L1013 WeakPolarHBondContact O-CG 3.43Å; R770-L1013 PolarHBondContact O-N 2.69Å; R1011-L1013 PolarHBondContact O-N 2.89Å; L1013-I1015 VanDerWaalsContact C-N 3.28Å; L1013-I1015 HydrophobicContact CB-CD1 4.27Å; L1013-I1015 HydrophobicContact CB-CG1 4.1Å; L1013-I1015 HydrophobicContact CD1-CD1 4.44Å; L1013-I1015 PolarHBondContact O-N 3.2Å; L1013-L1043 HydrophobicContact CB-CD2 4.45Å; L1013-L1043 HydrophobicContact CD1-CD1 4.32Å; L1013-N1055 HydrophobicContact CD2-CB 3.52Å; L1013-I1057 HydrophobicContact CD1-CD1 4.49Å; L1013-I1057 HydrophobicContact CD1-CG1 4Å; L1013-I1057 HydrophobicContact CD2-CG1 4.05Å; L1013-L1093 HydrophobicContact CD1-CD1 3.91Å
1014	R	83.8	Confident	83.7	Confident	98 Å²	98	63.2 Å²	63.2	37%	0.37	30%	0.304	S	S	.	.			trans	54.4	42.3	-180	-57	-175.6	177.9	-173.6	-1.8	112.9	R771 S1012 R1047	R771-R1014 PolarHBondContact O-N 3.45Å; S1012-R1014 PolarHBondContact OG-N 2.84Å; S1012-R1014 VanDerWaalsContact OG-N 3.14Å; R1014-R1047 PolarHBondContact O-NH2 2.95Å
1015	I	85.5	Confident	84.1	Confident	6 Å²	6	64 Å²	64	3%	0.031	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-62	131.4	176.2	-66.1	160.6	0	0	0	108.6	R771 Y772 L1013 L1043 L1093 I1095	R771-I1015 HydrophobicContact CB-CD1 3.68Å; R771-I1015 HydrophobicContact CG-CD1 3.7Å; R771-I1015 PolarHBondContact O-N 3.48Å; Y772-I1015 HydrophobicContact CD1-CB 4.18Å; Y772-I1015 HydrophobicContact CE1-CB 4.03Å; Y772-I1015 HydrophobicContact CE1-CG2 3.88Å; L1013-I1015 VanDerWaalsContact C-N 3.28Å; L1013-I1015 HydrophobicContact CB-CD1 4.27Å; L1013-I1015 HydrophobicContact CB-CG1 4.1Å; L1013-I1015 HydrophobicContact CD1-CD1 4.44Å; L1013-I1015 PolarHBondContact O-N 3.2Å; I1015-L1043 HydrophobicContact CD1-CD1 4.36Å; I1015-L1043 HydrophobicContact CG1-CD1 4.09Å; I1015-L1093 HydrophobicContact CD1-CD1 4.23Å; I1015-I1095 HydrophobicContact CD1-CD1 3.44Å; I1015-I1095 VanDerWaalsContact CD1-CD1 3.44Å; I1015-I1095 HydrophobicContact CD1-CG2 4.23Å; I1015-I1095 HydrophobicContact CG1-CD1 3.86Å; I1015-I1095 HydrophobicContact CG2-CD1 3.9Å; I1015-I1095 HydrophobicContact CG2-CG2 4.42Å
1016	P	79.4	Confident	84.7	Confident	9 Å²	9	60.6 Å²	60.6	6%	0.058	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-70.5	162.3	177.6	27.8	-32.4	0	0	0	112.8	E1022 V1024 V1045	P1016-E1022 HydrophobicContact CB-CB 3.97Å; P1016-E1022 HydrophobicContact CB-CG 4.47Å; P1016-E1022 VanDerWaalsContact CB-OE2 3.29Å; P1016-E1022 WeakPolarHBondContact CB-OE2 3.45Å; P1016-E1022 HydrophobicContact CG-CB 3.8Å; P1016-V1024 HydrophobicContact CG-CG2 3.91Å; P1016-V1045 HydrophobicContact CG-CG1 4.18Å
1017	P	73.1	Confident	85.4	Confident	67 Å²	67	56.3 Å²	56.3	44%	0.435	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-55.2	148.8	165.7	-22	32.9	0	0	0	111.5	D1019 S1020	P1017-D1019 PolarHBondContact O-N 2.88Å; P1017-S1020 WeakPolarHBondContact O-CB 3.48Å; P1017-S1020 PolarHBondContact O-N 2.75Å
1018	E	68.9	Low	85.8	Confident	141 Å²	141	53.2 Å²	53.2	66%	0.659	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-31.7	-177.9	-67.1	-172.3	164	0	0	113.1	S1020 P1096	E1018-S1020 PolarHBondContact O-N 3.22Å; E1018-P1096 HydrophobicContact CG-CG 4.38Å
1019	D	68.6	Low	86.1	Confident	167 Å²	167	51.6 Å²	51.6	89%	0.893	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	0.1	177.3	-59.2	-37	0	0	0	113.6	P1017	P1017-D1019 PolarHBondContact O-N 2.88Å
1020	S	73.6	Confident	86.3	Confident	37 Å²	37	51 Å²	51	26%	0.259	24%	0.241	S	C	.	.	S	Bend	trans	-76.3	145.8	179.7	-169.5	0	0	0	0	111.7	P1017 E1018 E1022	P1017-S1020 WeakPolarHBondContact O-CB 3.48Å; P1017-S1020 PolarHBondContact O-N 2.75Å; E1018-S1020 PolarHBondContact O-N 3.22Å; S1020-E1022 PolarHBondContact O-N 3.48Å; S1020-E1022 WeakPolarHBondContact OG-CB 3.44Å; S1020-E1022 WeakPolarHBondContact OG-CG 3.49Å; S1020-E1022 PolarHBondContact OG-N 3.14Å
1021	R	67.6	Low	86.2	Confident	215 Å²	215	52.4 Å²	52.4	81%	0.811	25%	0.251	S	S	*	.			trans	-81.2	6.1	170.3	-51.1	-179.7	172	-156	-2	113	E1048	R1021-E1048 HydrophobicContact CB-CG 4.34Å; R1021-E1048 VanDerWaalsContact CB-OE1 3.28Å; R1021-E1048 WeakPolarHBondContact CB-OE1 3.33Å; R1021-E1048 WeakPolarHBondContact CG-OE1 3.31Å
1022	E	82.6	Confident	86.1	Confident	31 Å²	31	53 Å²	53	15%	0.145	26%	0.256	C	S	.	.			trans	-73	141.9	177.7	-67.2	-174.9	-179.1	0	0	111.6	P1016 S1020 V1045 K1046 R1047 E1048	P1016-E1022 HydrophobicContact CB-CB 3.97Å; P1016-E1022 HydrophobicContact CB-CG 4.47Å; P1016-E1022 VanDerWaalsContact CB-OE2 3.29Å; P1016-E1022 WeakPolarHBondContact CB-OE2 3.45Å; P1016-E1022 HydrophobicContact CG-CB 3.8Å; S1020-E1022 PolarHBondContact O-N 3.48Å; S1020-E1022 WeakPolarHBondContact OG-CB 3.44Å; S1020-E1022 WeakPolarHBondContact OG-CG 3.49Å; S1020-E1022 PolarHBondContact OG-N 3.14Å; E1022-V1045 HydrophobicContact CB-CG1 4.46Å; E1022-K1046 VanDerWaalsContact CA-O 3.27Å; E1022-K1046 WeakPolarHBondContact CA-O 3.33Å; E1022-K1046 VanDerWaalsContact CB-O 3.3Å; E1022-K1046 WeakPolarHBondContact CB-O 3.44Å; E1022-R1047 WeakPolarHBondContact OE1-CD 3.38Å; E1022-R1047 IonicContact OE1-CZ 2.7Å; E1022-R1047 IonicContact OE1-NE 2.87Å; E1022-R1047 IonicContact OE1-NH1 3.12Å; E1022-R1047 PolarHBondContact OE1-NH1 3.23Å; E1022-R1047 WeakPolarHBondContact OE2-CD 3.42Å; E1022-R1047 IonicContact OE2-CZ 3.89Å; E1022-R1047 IonicContact OE2-NE 3.85Å; E1022-R1047 PolarHBondContact OE2-NE 2.97Å; E1022-R1047 IonicContact OE2-NH1 3.31Å; E1022-R1047 PolarHBondContact OE2-NH1 2.6Å; E1022-R1047 IonicContact OE2-NH2 3.39Å; E1022-E1048 HydrophobicContact CG-CG 4.23Å
1023	Q	83.9	Confident	85.9	Confident	85 Å²	85	55.2 Å²	55.2	40%	0.397	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.7	-176.2	-62.1	179.6	-6.7	0	0	111.8	V1045 K1046 D1098	Q1023-V1045 CarbonylContact O-C 3.53Å; Q1023-V1045 WeakPolarHBondContact O-CA 3.27Å; Q1023-K1046 HydrophobicContact CB-CB 4.21Å; Q1023-K1046 PolarHBondContact N-O 3.26Å; Q1023-K1046 VanDerWaalsContact N-O 3.08Å; Q1023-K1046 PolarHBondContact O-N 3.17Å; Q1023-D1098 WeakPolarHBondContact CA-OD2 3.41Å
1024	V	91.9	Very high	85.6	Confident	7 Å²	7	61.7 Å²	61.7	4%	0.042	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.3	173.5	-177.5	0	0	0	0	109.8	P1016 L1043 K1044 I1095 D1098	P1016-V1024 HydrophobicContact CG-CG2 3.91Å; V1024-L1043 HydrophobicContact CG1-CD1 3.87Å; V1024-L1043 HydrophobicContact CG1-CD2 4.39Å; V1024-L1043 HydrophobicContact CG1-CG 4.06Å; V1024-K1044 WeakPolarHBondContact CA-O 3.48Å; V1024-I1095 HydrophobicContact CG1-CD1 4.08Å; V1024-D1098 PolarHBondContact N-OD2 2.81Å; V1024-D1098 WeakPolarHBondContact O-CB 3.35Å; V1024-D1098 PolarHBondContact O-N 2.93Å
1025	Q	93.8	Very high	86	Confident	22 Å²	22	60.5 Å²	60.5	10%	0.103	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140.3	-177.5	-42.4	-175	-28.7	0	0	110.6	H1027 L1043 K1044 S1099 F1101	Q1025-H1027 PolarHBondContact OE1-NE2 3.15Å; Q1025-L1043 CarbonylContact O-C 3.58Å; Q1025-L1043 WeakPolarHBondContact O-CA 3.5Å; Q1025-K1044 HydrophobicContact CB-CB 4.27Å; Q1025-K1044 PolarHBondContact N-O 3.31Å; Q1025-K1044 PolarHBondContact O-N 3.08Å; Q1025-S1099 CarbonylContact C-O 3.55Å; Q1025-S1099 VanDerWaalsContact CA-O 3.31Å; Q1025-S1099 WeakPolarHBondContact CA-O 3.41Å; Q1025-S1099 VanDerWaalsContact CG-OG 3.27Å; Q1025-S1099 WeakPolarHBondContact CG-OG 3.29Å; Q1025-F1101 HydrophobicContact CB-CE2 4.3Å
1026	L	97	Very high	86.3	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.4	169	-66.6	-179	0	0	0	110.2	V1041 Y1042 L1043 I1057 T1086 R1090 V1097 S1099 T1100 F1101	L1026-V1041 HydrophobicContact CD2-CG1 4.24Å; L1026-Y1042 WeakPolarHBondContact CA-O 3.35Å; L1026-L1043 HydrophobicContact CD2-CB 4.4Å; L1026-L1043 HydrophobicContact CD2-CD1 4.46Å; L1026-I1057 HydrophobicContact CD2-CD1 3.57Å; L1026-T1086 HydrophobicContact CD1-CG2 4.32Å; L1026-R1090 HydrophobicContact CD1-CB 4.37Å; L1026-V1097 HydrophobicContact CB-CG1 4.36Å; L1026-V1097 HydrophobicContact CD1-CG1 4.07Å; L1026-V1097 HydrophobicContact CD1-CG2 4.12Å; L1026-V1097 HydrophobicContact CG-CG1 3.76Å; L1026-V1097 HydrophobicContact CG-CG2 4.23Å; L1026-S1099 PolarHBondContact N-O 2.89Å; L1026-T1100 HydrophobicContact CB-CG2 4.18Å; L1026-T1100 CarbonylContact O-C 3.59Å; L1026-T1100 WeakPolarHBondContact O-CA 3.3Å; L1026-F1101 PolarHBondContact O-N 3.19Å
1027	H	97.1	Very high	87.1	Confident	26 Å²	26	61.5 Å²	61.5	12%	0.12	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.7	177.3	-71.8	-108.6	0	0	0	110.1	Q1025 F1029 V1041 Y1042 F1101 W1103	Q1025-H1027 PolarHBondContact OE1-NE2 3.15Å; H1027-F1029 HydrophobicContact CB-CE2 3.91Å; H1027-V1041 WeakPolarHBondContact O-CA 3.42Å; H1027-Y1042 PolarHBondContact N-O 3.11Å; H1027-Y1042 PolarHBondContact O-N 3.28Å; H1027-F1101 CarbonylContact C-O 3.58Å; H1027-F1101 WeakPolarHBondContact CA-O 3.49Å; H1027-F1101 AromaticContact CE1-CD2 3.34Å; H1027-F1101 WeakPolarHBondContact CE1-CD2 3.45Å; H1027-F1101 AromaticContact CE1-CE2 3.99Å; H1027-F1101 AromaticContact ND1-CD2 3.91Å; H1027-F1101 AromaticContact NE2-CD2 3.42Å; H1027-F1101 WeakPolarHBondContact NE2-CD2 3.17Å; H1027-F1101 AromaticContact NE2-CE2 3.88Å; H1027-W1103 AromaticContact ND1-CE2 3.93Å; H1027-W1103 AromaticContact ND1-NE1 3.23Å; H1027-W1103 PolarHBondContact ND1-NE1 2.74Å
1028	T	98.1	Very high	88.1	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.2	-177	-46	0	0	0	0	109.9	A1039 V1040 V1041 T1086 F1101 Y1102 W1103	T1028-A1039 HydrophobicContact CG2-CB 4.45Å; T1028-V1040 CarbonylContact C-O 3.58Å; T1028-V1040 VanDerWaalsContact CA-O 3.29Å; T1028-V1040 WeakPolarHBondContact CA-O 3.29Å; T1028-V1041 HydrophobicContact CG2-CG2 4.03Å; T1028-T1086 WeakPolarHBondContact CG2-OG1 3.36Å; T1028-T1086 PolarHBondContact OG1-OG1 2.82Å; T1028-F1101 PolarHBondContact N-O 3.43Å; T1028-Y1102 HydrophobicContact CG2-CD1 3.95Å; T1028-Y1102 HydrophobicContact CG2-CE1 4.27Å; T1028-Y1102 CarbonylContact O-C 3.6Å; T1028-Y1102 WeakPolarHBondContact O-CA 3.46Å; T1028-W1103 PolarHBondContact O-N 3.37Å
1029	F	96.1	Very high	89.4	Confident	80 Å²	80	52.6 Å²	52.6	35%	0.351	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.2	176.6	-64.2	-95.9	0	0	0	109.4	H1027 A1039 V1040 Y1042 W1103	H1027-F1029 HydrophobicContact CB-CE2 3.91Å; F1029-A1039 CarbonylContact O-C 3.57Å; F1029-A1039 WeakPolarHBondContact O-CA 3.45Å; F1029-V1040 HydrophobicContact CB-CG1 4.05Å; F1029-V1040 PolarHBondContact N-O 3.02Å; F1029-V1040 PolarHBondContact O-N 2.85Å; F1029-Y1042 AromaticContact CD2-CD2 3.85Å; F1029-Y1042 HydrophobicContact CD2-CD2 3.85Å; F1029-Y1042 HydrophobicContact CD2-CE2 4.02Å; F1029-Y1042 HydrophobicContact CE2-CD2 4.04Å; F1029-Y1042 HydrophobicContact CE2-CE2 4.44Å; F1029-W1103 HydrophobicContact CD1-CB 3.44Å; F1029-W1103 VanDerWaalsContact CD1-CB 3.44Å; F1029-W1103 AromaticContact CD1-CG 3.87Å; F1029-W1103 HydrophobicContact CD1-CG 3.87Å; F1029-W1103 HydrophobicContact CE1-CB 3.65Å; F1029-W1103 AromaticContact CE1-CD1 3.76Å; F1029-W1103 HydrophobicContact CE1-CD2 4.19Å; F1029-W1103 AromaticContact CE1-CG 3.56Å; F1029-W1103 HydrophobicContact CE1-CG 3.56Å; F1029-W1103 HydrophobicContact CG-CB 4.13Å; F1029-W1103 HydrophobicContact CZ-CB 4.48Å; F1029-W1103 AromaticContact CZ-CD1 3.74Å; F1029-W1103 HydrophobicContact CZ-CG 4.01Å
1030	C	95.4	Very high	90.8	Very high	7 Å²	7	46 Å²	46	5%	0.047	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.1	-175.3	-49.6	0	0	0	0	109.9	T1079 W1103	C1030-T1079 HydrophobicContact CB-CG2 3.96Å; C1030-W1103 PolarHBondContact N-O 3Å
1031	D	92.1	Very high	92	Very high	99 Å²	99	44.2 Å²	44.2	53%	0.529	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	159.6	179.8	-167.1	13.9	0	0	0	111.4	Y1037 G1038	D1031-Y1037 WeakPolarHBondContact O-CA 3.42Å; D1031-G1038 PolarHBondContact N-O 3.41Å; D1031-G1038 PolarHBondContact O-N 2.97Å
1032	A	91.4	Very high	93.4	Very high	12 Å²	12	38.2 Å²	38.2	10%	0.099	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	149.6	177.8	0	0	0	0	0	113.5	L1074 E1075	A1032-L1074 HydrophobicContact CB-CB 3.88Å; A1032-L1074 WeakPolarHBondContact CB-O 3.32Å; A1032-E1075 HydrophobicContact CB-CB 4.36Å; A1032-E1075 HydrophobicContact CB-CG 3.96Å
1033	S	90.8	Very high	93.9	Very high	51 Å²	51	36.7 Å²	36.7	36%	0.357	19%	0.192	S	C	.	.			trans	-128.6	172.7	170.7	68.8	0	0	0	0	109.5	V1035 A1036 L1074	S1033-V1035 PolarHBondContact O-N 2.87Å; S1033-V1035 VanDerWaalsContact O-N 3.07Å; S1033-V1035 WeakPolarHBondContact OG-CG2 3.23Å; S1033-V1035 PolarHBondContact OG-N 3.41Å; S1033-A1036 PolarHBondContact N-O 3.36Å; S1033-A1036 PolarHBondContact OG-N 3.01Å; S1033-A1036 VanDerWaalsContact OG-N 3.13Å; S1033-A1036 PolarHBondContact OG-O 3.46Å; S1033-L1074 WeakPolarHBondContact O-CD1 3.24Å
1034	E	87.9	Confident	94.3	Very high	136 Å²	136	35.2 Å²	35.2	64%	0.636	19%	0.185	S	C	*	.	S	Bend	trans	-62.1	-15.6	175.8	-62	-165.1	137.8	0	0	114.1	A1064 R1068	E1034-A1064 WeakPolarHBondContact O-CB 3.31Å; E1034-R1068 IonicContact OE1-NH2 3.85Å
1035	V	90.5	Very high	94.1	Very high	73 Å²	73	34.9 Å²	34.9	44%	0.442	18%	0.183	S	C	.	.	S	Bend	trans	-111.9	-23.9	-175.7	-62.5	0	0	0	0	114	I970 S1033 V1063 A1064	I970-V1035 HydrophobicContact CD1-CB 4.33Å; I970-V1035 HydrophobicContact CD1-CG2 3.97Å; S1033-V1035 PolarHBondContact O-N 2.87Å; S1033-V1035 VanDerWaalsContact O-N 3.07Å; S1033-V1035 WeakPolarHBondContact OG-CG2 3.23Å; S1033-V1035 PolarHBondContact OG-N 3.41Å; V1035-V1063 VanDerWaalsContact O-CG1 3.3Å; V1035-V1063 WeakPolarHBondContact O-CG1 3.26Å; V1035-A1064 VanDerWaalsContact C-CB 3.5Å; V1035-A1064 PolarHBondContact O-N 2.73Å
1036	A	93.6	Very high	93.5	Very high	12 Å²	12	38 Å²	38	10%	0.099	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	158.9	-178.6	0	0	0	0	0	111.5	V966 I970 S1033 R1062	V966-A1036 HydrophobicContact CG2-CB 3.67Å; I970-A1036 HydrophobicContact CD1-CB 4.06Å; I970-A1036 HydrophobicContact CG1-CB 4.45Å; S1033-A1036 PolarHBondContact N-O 3.36Å; S1033-A1036 PolarHBondContact OG-N 3.01Å; S1033-A1036 VanDerWaalsContact OG-N 3.13Å; S1033-A1036 PolarHBondContact OG-O 3.46Å; A1036-R1062 CarbonylContact C-O 3.52Å; A1036-R1062 WeakPolarHBondContact CA-O 3.31Å; A1036-R1062 VanDerWaalsContact CB-O 3.32Å; A1036-R1062 WeakPolarHBondContact CB-O 3.42Å
1037	Y	94.4	Very high	92.7	Very high	23 Å²	23	40.7 Å²	40.7	9%	0.09	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	157.6	176.9	59.8	-80.4	0	0	0	109.8	D1031 S1061 R1062 L1074 L1077 I1081	D1031-Y1037 WeakPolarHBondContact O-CA 3.42Å; Y1037-S1061 WeakPolarHBondContact O-CA 3.23Å; Y1037-R1062 HydrophobicContact CD1-CB 4.42Å; Y1037-R1062 HydrophobicContact CE1-CB 3.82Å; Y1037-R1062 HydrophobicContact CE2-CB 3.99Å; Y1037-R1062 PolarHBondContact N-O 2.88Å; Y1037-R1062 PolarHBondContact O-N 3.37Å; Y1037-L1074 HydrophobicContact CD1-CD2 4.39Å; Y1037-L1077 HydrophobicContact CD2-CB 3.84Å; Y1037-L1077 HydrophobicContact CE2-CB 3.54Å; Y1037-L1077 HydrophobicContact CG-CB 4.44Å; Y1037-I1081 HydrophobicContact CD2-CD1 3.64Å; Y1037-I1081 HydrophobicContact CD2-CG1 4.41Å; Y1037-I1081 HydrophobicContact CE2-CD1 3.2Å; Y1037-I1081 HydrophobicContact CE2-CG1 3.95Å
1038	G	94.6	Very high	91.7	Very high	16 Å²	16	45.9 Å²	45.9	17%	0.165	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	174	-175.8	0	0	0	0	0	114.4	D1031 K1060	D1031-G1038 PolarHBondContact N-O 3.41Å; D1031-G1038 PolarHBondContact O-N 2.97Å; G1038-K1060 CarbonylContact C-O 3.44Å; G1038-K1060 WeakPolarHBondContact CA-O 3.5Å
1039	A	97	Very high	90.6	Very high	6 Å²	6	51.2 Å²	51.2	5%	0.05	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	156.6	174	0	0	0	0	0	111.6	T1028 F1029 A1059 K1060 I1081 G1082 L1085	T1028-A1039 HydrophobicContact CG2-CB 4.45Å; F1029-A1039 CarbonylContact O-C 3.57Å; F1029-A1039 WeakPolarHBondContact O-CA 3.45Å; A1039-A1059 CarbonylContact O-C 3.45Å; A1039-A1059 VanDerWaalsContact O-CA 3.31Å; A1039-A1059 WeakPolarHBondContact O-CA 3.46Å; A1039-K1060 PolarHBondContact N-O 2.91Å; A1039-K1060 PolarHBondContact O-N 2.8Å; A1039-I1081 HydrophobicContact CB-CG2 3.89Å; A1039-G1082 VanDerWaalsContact CB-CA 3.42Å; A1039-L1085 HydrophobicContact CB-CD2 4.44Å
1040	V	97.5	Very high	89.4	Confident	27 Å²	27	49.2 Å²	49.2	16%	0.164	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.6	177	54.5	0	0	0	0	110.2	T1028 F1029 Y1042 I1056 A1059	T1028-V1040 CarbonylContact C-O 3.58Å; T1028-V1040 VanDerWaalsContact CA-O 3.29Å; T1028-V1040 WeakPolarHBondContact CA-O 3.29Å; F1029-V1040 HydrophobicContact CB-CG1 4.05Å; F1029-V1040 PolarHBondContact N-O 3.02Å; F1029-V1040 PolarHBondContact O-N 2.85Å; V1040-Y1042 HydrophobicContact CB-CE2 4.18Å; V1040-Y1042 HydrophobicContact CG1-CD2 4.37Å; V1040-Y1042 HydrophobicContact CG1-CE2 3.58Å; V1040-Y1042 HydrophobicContact CG2-CD2 4.07Å; V1040-Y1042 HydrophobicContact CG2-CE1 4.46Å; V1040-Y1042 HydrophobicContact CG2-CE2 3.51Å; V1040-I1056 HydrophobicContact CG2-CD1 3.64Å; V1040-I1056 HydrophobicContact CG2-CG1 3.79Å; V1040-A1059 HydrophobicContact CB-CB 3.81Å; V1040-A1059 HydrophobicContact CG2-CB 3.89Å
1041	V	98.1	Very high	88.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.8	178.2	-174.8	0	0	0	0	109.7	L1026 H1027 T1028 I1057 M1058 L1085 T1086 V1089	L1026-V1041 HydrophobicContact CD2-CG1 4.24Å; H1027-V1041 WeakPolarHBondContact O-CA 3.42Å; T1028-V1041 HydrophobicContact CG2-CG2 4.03Å; V1041-I1057 HydrophobicContact CG1-CD1 4.33Å; V1041-I1057 PolarHBondContact O-N 3.35Å; V1041-M1058 PolarHBondContact N-O 3.3Å; V1041-M1058 PolarHBondContact O-N 2.9Å; V1041-L1085 HydrophobicContact CG2-CB 4.36Å; V1041-L1085 HydrophobicContact CG2-CD2 3.85Å; V1041-L1085 HydrophobicContact CG2-CG 3.76Å; V1041-T1086 WeakPolarHBondContact CG2-OG1 3.2Å; V1041-V1089 HydrophobicContact CB-CG2 4.44Å; V1041-V1089 HydrophobicContact CG1-CG1 4.13Å; V1041-V1089 HydrophobicContact CG2-CG2 4.41Å
1042	Y	96.8	Very high	87.7	Confident	89 Å²	89	53.8 Å²	53.8	35%	0.349	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.4	173	-65	-89	0	0	0	110.6	L1026 H1027 F1029 V1040 N1055 I1056	L1026-Y1042 WeakPolarHBondContact CA-O 3.35Å; H1027-Y1042 PolarHBondContact N-O 3.11Å; H1027-Y1042 PolarHBondContact O-N 3.28Å; F1029-Y1042 AromaticContact CD2-CD2 3.85Å; F1029-Y1042 HydrophobicContact CD2-CD2 3.85Å; F1029-Y1042 HydrophobicContact CD2-CE2 4.02Å; F1029-Y1042 HydrophobicContact CE2-CD2 4.04Å; F1029-Y1042 HydrophobicContact CE2-CE2 4.44Å; V1040-Y1042 HydrophobicContact CB-CE2 4.18Å; V1040-Y1042 HydrophobicContact CG1-CD2 4.37Å; V1040-Y1042 HydrophobicContact CG1-CE2 3.58Å; V1040-Y1042 HydrophobicContact CG2-CD2 4.07Å; V1040-Y1042 HydrophobicContact CG2-CE1 4.46Å; V1040-Y1042 HydrophobicContact CG2-CE2 3.51Å; Y1042-N1055 CarbonylContact C-O 3.58Å; Y1042-N1055 WeakPolarHBondContact CA-O 3.47Å; Y1042-I1056 HydrophobicContact CD1-CB 3.98Å; Y1042-I1056 HydrophobicContact CE1-CB 3.75Å; Y1042-I1056 HydrophobicContact CE1-CG1 4.23Å
1043	L	94.9	Very high	87.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.5	164.8	-171.2	141.6	0	0	0	109.1	L1013 I1015 V1024 Q1025 L1026 V1045 T1054 N1055 I1057 L1093 I1095	L1013-L1043 HydrophobicContact CB-CD2 4.45Å; L1013-L1043 HydrophobicContact CD1-CD1 4.32Å; I1015-L1043 HydrophobicContact CD1-CD1 4.36Å; I1015-L1043 HydrophobicContact CG1-CD1 4.09Å; V1024-L1043 HydrophobicContact CG1-CD1 3.87Å; V1024-L1043 HydrophobicContact CG1-CD2 4.39Å; V1024-L1043 HydrophobicContact CG1-CG 4.06Å; Q1025-L1043 CarbonylContact O-C 3.58Å; Q1025-L1043 WeakPolarHBondContact O-CA 3.5Å; L1026-L1043 HydrophobicContact CD2-CB 4.4Å; L1026-L1043 HydrophobicContact CD2-CD1 4.46Å; L1043-V1045 HydrophobicContact CD2-CG2 3.36Å; L1043-T1054 CarbonylContact O-C 3.6Å; L1043-T1054 VanDerWaalsContact O-CA 3.29Å; L1043-T1054 WeakPolarHBondContact O-CA 3.29Å; L1043-N1055 PolarHBondContact N-O 2.89Å; L1043-N1055 PolarHBondContact O-N 2.93Å; L1043-I1057 HydrophobicContact CB-CD1 3.59Å; L1043-I1057 HydrophobicContact CB-CG1 3.85Å; L1043-I1057 HydrophobicContact CD1-CD1 4.1Å; L1043-I1057 HydrophobicContact CG-CD1 4.45Å; L1043-L1093 HydrophobicContact CD1-CD2 3.88Å; L1043-I1095 HydrophobicContact CD1-CD1 4.25Å
1044	K	91	Very high	86.9	Confident	54 Å²	54	58.5 Å²	58.5	24%	0.235	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126	171.9	178.7	-178.7	171.2	-169.6	0	109.4	V1024 Q1025 H1052 F1053 T1054	V1024-K1044 WeakPolarHBondContact CA-O 3.48Å; Q1025-K1044 HydrophobicContact CB-CB 4.27Å; Q1025-K1044 PolarHBondContact N-O 3.31Å; Q1025-K1044 PolarHBondContact O-N 3.08Å; K1044-H1052 WeakPolarHBondContact CE-CD2 3.23Å; K1044-F1053 CarbonylContact C-O 3.34Å; K1044-F1053 VanDerWaalsContact CA-O 3.25Å; K1044-F1053 WeakPolarHBondContact CA-O 3.29Å; K1044-T1054 HydrophobicContact CB-CG2 4.07Å; K1044-T1054 HydrophobicContact CD-CG2 4.44Å; K1044-T1054 HydrophobicContact CG-CG2 3.96Å
1045	V	87.9	Confident	87.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.9	169.5	-175.1	0	0	0	0	108.9	P1016 E1022 Q1023 L1043 H1052 F1053	P1016-V1045 HydrophobicContact CG-CG1 4.18Å; E1022-V1045 HydrophobicContact CB-CG1 4.46Å; Q1023-V1045 CarbonylContact O-C 3.53Å; Q1023-V1045 WeakPolarHBondContact O-CA 3.27Å; L1043-V1045 HydrophobicContact CD2-CG2 3.36Å; V1045-H1052 CarbonylContact O-C 3.6Å; V1045-H1052 VanDerWaalsContact O-CA 3.32Å; V1045-H1052 WeakPolarHBondContact O-CA 3.17Å; V1045-F1053 PolarHBondContact N-O 2.88Å; V1045-F1053 PolarHBondContact O-N 3.06Å
1046	K	82.5	Confident	87.3	Confident	87 Å²	87	51.5 Å²	51.5	38%	0.378	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113.8	170.4	-179.2	174.3	-176.7	-171.9	0	109.4	E1022 Q1023 H1052	E1022-K1046 VanDerWaalsContact CA-O 3.27Å; E1022-K1046 WeakPolarHBondContact CA-O 3.33Å; E1022-K1046 VanDerWaalsContact CB-O 3.3Å; E1022-K1046 WeakPolarHBondContact CB-O 3.44Å; Q1023-K1046 HydrophobicContact CB-CB 4.21Å; Q1023-K1046 PolarHBondContact N-O 3.26Å; Q1023-K1046 VanDerWaalsContact N-O 3.08Å; Q1023-K1046 PolarHBondContact O-N 3.17Å; K1046-H1052 WeakPolarHBondContact CG-NE2 3.47Å
1047	R	79.1	Confident	87.4	Confident	57 Å²	57	50.9 Å²	50.9	22%	0.215	26%	0.255	C	S	.	.			trans	-75.2	155	177.1	-58.7	-62.7	-179.9	163.6	-12.8	111	R1014 E1022 N1049 G1050 K1051 F1053	R1014-R1047 PolarHBondContact O-NH2 2.95Å; E1022-R1047 WeakPolarHBondContact OE1-CD 3.38Å; E1022-R1047 IonicContact OE1-CZ 2.7Å; E1022-R1047 IonicContact OE1-NE 2.87Å; E1022-R1047 IonicContact OE1-NH1 3.12Å; E1022-R1047 PolarHBondContact OE1-NH1 3.23Å; E1022-R1047 WeakPolarHBondContact OE2-CD 3.42Å; E1022-R1047 IonicContact OE2-CZ 3.89Å; E1022-R1047 IonicContact OE2-NE 3.85Å; E1022-R1047 PolarHBondContact OE2-NE 2.97Å; E1022-R1047 IonicContact OE2-NH1 3.31Å; E1022-R1047 PolarHBondContact OE2-NH1 2.6Å; E1022-R1047 IonicContact OE2-NH2 3.39Å; R1047-N1049 WeakPolarHBondContact CB-OD1 3.49Å; R1047-N1049 PolarHBondContact O-N 3.16Å; R1047-G1050 PolarHBondContact O-N 3.27Å; R1047-K1051 HydrophobicContact CB-CB 4.27Å; R1047-K1051 VanDerWaalsContact CB-O 3.24Å; R1047-K1051 WeakPolarHBondContact CB-O 3.31Å; R1047-K1051 HydrophobicContact CG-CB 4.27Å; R1047-K1051 WeakPolarHBondContact CG-O 3.47Å; R1047-K1051 PolarHBondContact N-O 3.05Å; R1047-F1053 HydrophobicContact CG-CD2 3.91Å; R1047-F1053 HydrophobicContact CG-CE2 3.62Å
1048	E	76.4	Confident	87.5	Confident	134 Å²	134	49.8 Å²	49.8	63%	0.626	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-34.3	175.9	-68.5	-174.4	167.9	0	0	112.6	R1021 E1022 G1050	R1021-E1048 HydrophobicContact CB-CG 4.34Å; R1021-E1048 VanDerWaalsContact CB-OE1 3.28Å; R1021-E1048 WeakPolarHBondContact CB-OE1 3.33Å; R1021-E1048 WeakPolarHBondContact CG-OE1 3.31Å; E1022-E1048 HydrophobicContact CG-CG 4.23Å; E1048-G1050 PolarHBondContact O-N 3.19Å; E1048-G1050 VanDerWaalsContact O-N 3.09Å
1049	N	75	Confident	87.6	Confident	113 Å²	113	49.4 Å²	49.4	60%	0.604	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	8.5	176	67.5	10.1	0	0	0	114.1	R1047 K1051	R1047-N1049 WeakPolarHBondContact CB-OD1 3.49Å; R1047-N1049 PolarHBondContact O-N 3.16Å; N1049-K1051 VanDerWaalsContact C-N 3.27Å; N1049-K1051 PolarHBondContact O-N 2.8Å; N1049-K1051 WeakPolarHBondContact OD1-CB 3.3Å; N1049-K1051 WeakPolarHBondContact OD1-CG 3.33Å; N1049-K1051 PolarHBondContact OD1-N 3.42Å
1050	G	70.7	Confident	87.5	Confident	37 Å²	37	49.9 Å²	49.9	38%	0.381	25%	0.247	S	C	.	.	S	Bend	trans	80.6	-5.2	-179	0	0	0	0	0	115	R1047 E1048 H1052	R1047-G1050 PolarHBondContact O-N 3.27Å; E1048-G1050 PolarHBondContact O-N 3.19Å; E1048-G1050 VanDerWaalsContact O-N 3.09Å; G1050-H1052 PolarHBondContact O-CE1 3.45Å; G1050-H1052 PolarHBondContact O-ND1 2.95Å; G1050-H1052 VanDerWaalsContact O-ND1 3.08Å
1051	K	74.7	Confident	87.3	Confident	135 Å²	135	49.3 Å²	49.3	59%	0.587	24%	0.244	S	C	*	.			trans	-70	145.6	175	-66.5	-177	178.4	-179.1	0	110.9	R1047 N1049	R1047-K1051 HydrophobicContact CB-CB 4.27Å; R1047-K1051 VanDerWaalsContact CB-O 3.24Å; R1047-K1051 WeakPolarHBondContact CB-O 3.31Å; R1047-K1051 HydrophobicContact CG-CB 4.27Å; R1047-K1051 WeakPolarHBondContact CG-O 3.47Å; R1047-K1051 PolarHBondContact N-O 3.05Å; N1049-K1051 VanDerWaalsContact C-N 3.27Å; N1049-K1051 PolarHBondContact O-N 2.8Å; N1049-K1051 WeakPolarHBondContact OD1-CB 3.3Å; N1049-K1051 WeakPolarHBondContact OD1-CG 3.33Å; N1049-K1051 PolarHBondContact OD1-N 3.42Å
1052	H	77	Confident	87	Confident	67 Å²	67	53.1 Å²	53.1	31%	0.31	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	143.9	177.8	-57	92.5	0	0	0	110.5	K1044 V1045 K1046 G1050 E1189	K1044-H1052 WeakPolarHBondContact CE-CD2 3.23Å; V1045-H1052 CarbonylContact O-C 3.6Å; V1045-H1052 VanDerWaalsContact O-CA 3.32Å; V1045-H1052 WeakPolarHBondContact O-CA 3.17Å; K1046-H1052 WeakPolarHBondContact CG-NE2 3.47Å; G1050-H1052 PolarHBondContact O-CE1 3.45Å; G1050-H1052 PolarHBondContact O-ND1 2.95Å; G1050-H1052 VanDerWaalsContact O-ND1 3.08Å; H1052-E1189 IonicContact ND1-OE1 2.86Å
1053	F	80.6	Confident	86.8	Confident	64 Å²	64	50.2 Å²	50.2	28%	0.281	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.8	170.2	-63.2	-78.5	0	0	0	109.2	K1044 V1045 R1047	K1044-F1053 CarbonylContact C-O 3.34Å; K1044-F1053 VanDerWaalsContact CA-O 3.25Å; K1044-F1053 WeakPolarHBondContact CA-O 3.29Å; V1045-F1053 PolarHBondContact N-O 2.88Å; V1045-F1053 PolarHBondContact O-N 3.06Å; R1047-F1053 HydrophobicContact CG-CD2 3.91Å; R1047-F1053 HydrophobicContact CG-CE2 3.62Å
1054	T	85.6	Confident	86.6	Confident	98 Å²	98	50.5 Å²	50.5	60%	0.601	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.5	177.8	53.2	0	0	0	0	110	L1043 K1044	L1043-T1054 CarbonylContact O-C 3.6Å; L1043-T1054 VanDerWaalsContact O-CA 3.29Å; L1043-T1054 WeakPolarHBondContact O-CA 3.29Å; K1044-T1054 HydrophobicContact CB-CG2 4.07Å; K1044-T1054 HydrophobicContact CD-CG2 4.44Å; K1044-T1054 HydrophobicContact CG-CG2 3.96Å
1055	N	90.8	Very high	86.4	Confident	25 Å²	25	50.5 Å²	50.5	13%	0.134	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.7	178.5	-72.1	-72.6	0	0	0	110.6	L1013 Y1042 L1043 I1057	L1013-N1055 HydrophobicContact CD2-CB 3.52Å; Y1042-N1055 CarbonylContact C-O 3.58Å; Y1042-N1055 WeakPolarHBondContact CA-O 3.47Å; L1043-N1055 PolarHBondContact N-O 2.89Å; L1043-N1055 PolarHBondContact O-N 2.93Å; N1055-I1057 PolarHBondContact O-N 3.13Å
1056	I	94.5	Very high	86	Confident	37 Å²	37	55.2 Å²	55.2	19%	0.19	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	127.3	169.9	-173.2	169.6	0	0	0	109.1	R770 V1009 V1040 Y1042	R770-I1056 VanDerWaalsContact CZ-O 3.26Å; R770-I1056 PolarHBondContact NH1-O 3.24Å; R770-I1056 PolarHBondContact NH2-O 2.63Å; V1009-I1056 HydrophobicContact CG1-CG2 3.83Å; V1040-I1056 HydrophobicContact CG2-CD1 3.64Å; V1040-I1056 HydrophobicContact CG2-CG1 3.79Å; Y1042-I1056 HydrophobicContact CD1-CB 3.98Å; Y1042-I1056 HydrophobicContact CE1-CB 3.75Å; Y1042-I1056 HydrophobicContact CE1-CG1 4.23Å
1057	I	96.5	Very high	85.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-62.9	171.4	-61.1	170.7	0	0	0	108.6	I767 R770 L1013 L1026 V1041 L1043 N1055 V1089 L1093	I767-I1057 HydrophobicContact CD1-CG2 4.34Å; I767-I1057 HydrophobicContact CG1-CG2 4.11Å; I767-I1057 HydrophobicContact CG2-CG2 4.25Å; R770-I1057 PolarHBondContact NH1-O 3.36Å; L1013-I1057 HydrophobicContact CD1-CD1 4.49Å; L1013-I1057 HydrophobicContact CD1-CG1 4Å; L1013-I1057 HydrophobicContact CD2-CG1 4.05Å; L1026-I1057 HydrophobicContact CD2-CD1 3.57Å; V1041-I1057 HydrophobicContact CG1-CD1 4.33Å; V1041-I1057 PolarHBondContact O-N 3.35Å; L1043-I1057 HydrophobicContact CB-CD1 3.59Å; L1043-I1057 HydrophobicContact CB-CG1 3.85Å; L1043-I1057 HydrophobicContact CD1-CD1 4.1Å; L1043-I1057 HydrophobicContact CG-CD1 4.45Å; N1055-I1057 PolarHBondContact O-N 3.13Å; I1057-V1089 HydrophobicContact CB-CG1 4.44Å; I1057-V1089 HydrophobicContact CD1-CG1 3.76Å; I1057-V1089 HydrophobicContact CG2-CG1 3.93Å; I1057-V1089 HydrophobicContact CG2-CG2 4.18Å; I1057-L1093 HydrophobicContact CD1-CD2 4.36Å
1058	M	96.7	Very high	85.8	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	148.1	-171.3	-169.4	175.6	174.6	0	0	111.2	V763 I767 L958 V1041 K1060 L1085 F1088 V1089	V763-M1058 HydrophobicContact CG1-CE 3.73Å; V763-M1058 HydrophobicContact CG1-SD 3.72Å; I767-M1058 HydrophobicContact CD1-SD 4.21Å; L958-M1058 HydrophobicContact CD2-CG 4.47Å; L958-M1058 CarbonylContact O-C 3.5Å; L958-M1058 WeakPolarHBondContact O-CA 3.45Å; L958-M1058 WeakPolarHBondContact O-CG 3.32Å; V1041-M1058 PolarHBondContact N-O 3.3Å; V1041-M1058 PolarHBondContact O-N 2.9Å; M1058-K1060 HydrophobicContact CE-CD 4.39Å; M1058-K1060 HydrophobicContact CE-CG 4.35Å; M1058-L1085 HydrophobicContact CB-CD1 4.42Å; M1058-L1085 HydrophobicContact CE-CD1 3.94Å; M1058-L1085 HydrophobicContact CG-CD1 3.91Å; M1058-L1085 HydrophobicContact SD-CD1 3.7Å; M1058-F1088 HydrophobicContact CE-CD1 4.45Å; M1058-F1088 HydrophobicContact CE-CE1 4.15Å; M1058-F1088 HydrophobicContact SD-CD1 3.99Å; M1058-F1088 HydrophobicContact SD-CE1 3.85Å; M1058-V1089 HydrophobicContact CB-CG2 4Å; M1058-V1089 HydrophobicContact SD-CG2 4.29Å
1059	A	96.6	Very high	86.1	Confident	8 Å²	8	62.2 Å²	62.2	7%	0.066	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.8	171.7	0	0	0	0	0	111.8	L958 G959 A962 A1039 V1040	L958-A1059 PolarHBondContact O-N 2.85Å; G959-A1059 WeakPolarHBondContact CA-O 3.33Å; G959-A1059 WeakPolarHBondContact O-CB 3.32Å; A962-A1059 HydrophobicContact CB-CB 4.26Å; A1039-A1059 CarbonylContact O-C 3.45Å; A1039-A1059 VanDerWaalsContact O-CA 3.31Å; A1039-A1059 WeakPolarHBondContact O-CA 3.46Å; V1040-A1059 HydrophobicContact CB-CB 3.81Å; V1040-A1059 HydrophobicContact CG2-CB 3.89Å
1060	K	95.4	Very high	86.7	Confident	16 Å²	16	60.5 Å²	60.5	7%	0.07	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	142.8	174	-73.3	-66.6	174.5	162.7	0	111.4	D617 I619 V621 G1038 A1039 M1058 I1081 L1085	D617-K1060 PolarHBondContact O-NZ 2.94Å; I619-K1060 WeakPolarHBondContact O-CE 3.34Å; I619-K1060 PolarHBondContact O-NZ 2.73Å; V621-K1060 HydrophobicContact CG1-CB 3.95Å; V621-K1060 HydrophobicContact CG1-CG 3.86Å; V621-K1060 HydrophobicContact CG2-CG 4.45Å; G1038-K1060 CarbonylContact C-O 3.44Å; G1038-K1060 WeakPolarHBondContact CA-O 3.5Å; A1039-K1060 PolarHBondContact N-O 2.91Å; A1039-K1060 PolarHBondContact O-N 2.8Å; M1058-K1060 HydrophobicContact CE-CD 4.39Å; M1058-K1060 HydrophobicContact CE-CG 4.35Å; K1060-I1081 HydrophobicContact CB-CG2 4.34Å; K1060-L1085 HydrophobicContact CB-CD2 4.35Å; K1060-L1085 HydrophobicContact CG-CD1 3.88Å; K1060-L1085 HydrophobicContact CG-CD2 4.41Å
1061	S	93	Very high	87.6	Confident	14 Å²	14	62.2 Å²	62.2	10%	0.098	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.9	176.1	61.5	0	0	0	0	110.7	A962 V966 Y1037	A962-S1061 PolarHBondContact O-OG 3.22Å; V966-S1061 WeakPolarHBondContact CB-OG 3.22Å; Y1037-S1061 WeakPolarHBondContact O-CA 3.23Å
1062	R	91.6	Very high	88.4	Confident	81 Å²	81	57.2 Å²	57.2	31%	0.306	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.6	172.7	-73.2	-160.9	173	173.8	-2.7	110.3	A1036 Y1037 I1081	A1036-R1062 CarbonylContact C-O 3.52Å; A1036-R1062 WeakPolarHBondContact CA-O 3.31Å; A1036-R1062 VanDerWaalsContact CB-O 3.32Å; A1036-R1062 WeakPolarHBondContact CB-O 3.42Å; Y1037-R1062 HydrophobicContact CD1-CB 4.42Å; Y1037-R1062 HydrophobicContact CE1-CB 3.82Å; Y1037-R1062 HydrophobicContact CE2-CB 3.99Å; Y1037-R1062 PolarHBondContact N-O 2.88Å; Y1037-R1062 PolarHBondContact O-N 3.37Å; R1062-I1081 HydrophobicContact CB-CD1 4.1Å; R1062-I1081 HydrophobicContact CG-CD1 3.73Å
1063	V	92.4	Very high	89.1	Confident	28 Å²	28	58.4 Å²	58.4	17%	0.17	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	141.2	171.2	-169.3	0	0	0	0	108.5	K969 I970 Q973 V1035	K969-V1063 HydrophobicContact CB-CG2 3.39Å; I970-V1063 HydrophobicContact CG1-CG1 4.12Å; I970-V1063 HydrophobicContact CG1-CG2 4.27Å; Q973-V1063 HydrophobicContact CB-CG1 4.1Å; Q973-V1063 HydrophobicContact CG-CG1 4.35Å; V1035-V1063 VanDerWaalsContact O-CG1 3.3Å; V1035-V1063 WeakPolarHBondContact O-CG1 3.26Å
1064	A	89.9	Confident	89.7	Confident	5 Å²	5	55.6 Å²	55.6	4%	0.041	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-57.9	147.3	176.3	0	0	0	0	0	110.7	Q973 E1034 V1035 L1074	Q973-A1064 PolarHBondContact NE2-O 2.89Å; E1034-A1064 WeakPolarHBondContact O-CB 3.31Å; V1035-A1064 VanDerWaalsContact C-CB 3.5Å; V1035-A1064 PolarHBondContact O-N 2.73Å; A1064-L1074 HydrophobicContact CB-CD1 4.46Å; A1064-L1074 HydrophobicContact CB-CD2 3.9Å
1065	P	87.3	Confident	90.2	Very high	55 Å²	55	52.1 Å²	52.1	36%	0.357	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-57.7	142.2	176.9	-24.2	34.9	0	0	0	112	K1067 V1069	P1065-K1067 CarbonylContact O-C 3.56Å; P1065-K1067 PolarHBondContact O-N 3.38Å; P1065-V1069 HydrophobicContact CB-CG2 4.27Å; P1065-V1069 HydrophobicContact CG-CG2 4.12Å
1066	V	79.4	Confident	90.5	Very high	98 Å²	98	51 Å²	51	59%	0.594	25%	0.249	S	C	*	.	S	Bend	trans	-58.8	-36.9	177.6	177.5	0	0	0	0	111.4	Q973 T977 R1068	Q973-V1066 HydrophobicContact CG-CG2 3.93Å; T977-V1066 HydrophobicContact CG2-CG1 3.72Å; T977-V1066 HydrophobicContact CG2-CG2 4.05Å; V1066-R1068 PolarHBondContact O-N 2.8Å
1067	K	79.4	Confident	90.5	Very high	182 Å²	182	50.1 Å²	50.1	79%	0.791	25%	0.245	S	C	*	.	S	Bend	trans	-71.4	119.8	170.3	-175.9	176.6	-178.5	177.4	0	108.2	P1065 V1069	P1065-K1067 CarbonylContact O-C 3.56Å; P1065-K1067 PolarHBondContact O-N 3.38Å; K1067-V1069 WeakPolarHBondContact O-CG2 3.16Å; K1067-V1069 PolarHBondContact O-N 2.91Å
1068	R	79	Confident	90.5	Very high	209 Å²	209	50.1 Å²	50.1	79%	0.789	25%	0.245	S	C	*	.			trans	-52.8	127.3	-178.2	-164.6	174.7	-171.7	-173.4	2.2	111.1	E1034 V1066	E1034-R1068 IonicContact OE1-NH2 3.85Å; V1066-R1068 PolarHBondContact O-N 2.8Å
1069	V	81.9	Confident	90.5	Very high	34 Å²	34	50.1 Å²	50.1	21%	0.206	25%	0.245	C	C	.	.			trans	-118.4	146.5	175.3	-179.7	0	0	0	0	107.4	P1065 K1067 R1073 L1074	P1065-V1069 HydrophobicContact CB-CG2 4.27Å; P1065-V1069 HydrophobicContact CG-CG2 4.12Å; K1067-V1069 WeakPolarHBondContact O-CG2 3.16Å; K1067-V1069 PolarHBondContact O-N 2.91Å; V1069-R1073 HydrophobicContact CG1-CB 3.26Å; V1069-R1073 HydrophobicContact CG1-CG 4.28Å; V1069-L1074 HydrophobicContact CB-CD2 4.05Å; V1069-L1074 HydrophobicContact CB-CG 4.12Å; V1069-L1074 HydrophobicContact CG1-CD2 4.29Å; V1069-L1074 HydrophobicContact CG1-CG 4.15Å
1070	T	87	Confident	90.5	Very high	77 Å²	77	50.2 Å²	50.2	47%	0.472	24%	0.244	S	C	.	.			trans	-67.4	150.5	177.5	58	0	0	0	0	110.6	R1073 L1074	T1070-R1073 WeakPolarHBondContact O-CB 3.46Å; T1070-R1073 PolarHBondContact O-N 2.97Å; T1070-R1073 WeakPolarHBondContact OG1-CG 3.23Å; T1070-L1074 PolarHBondContact O-N 3.36Å
1071	L	90.7	Very high	90.5	Very high	73 Å²	73	49.7 Å²	49.7	38%	0.382	24%	0.242	S	C	.	.	H	α-helix	trans	-54.2	-45.6	-179.8	-178.1	65	0	0	0	112.9	R1073 L1074 E1075	L1071-R1073 PolarHBondContact O-N 3.29Å; L1071-R1073 VanDerWaalsContact O-N 3.15Å; L1071-L1074 CarbonylContact O-C 3.46Å; L1071-L1074 WeakPolarHBondContact O-CA 3.12Å; L1071-L1074 WeakPolarHBondContact O-CB 3.49Å; L1071-L1074 PolarHBondContact O-N 3.27Å; L1071-E1075 HydrophobicContact CD1-CG 4.37Å; L1071-E1075 HydrophobicContact CG-CG 4.33Å; L1071-E1075 WeakPolarHBondContact O-CG 3.33Å; L1071-E1075 PolarHBondContact O-N 3.09Å
1072	P	90.3	Very high	90.8	Very high	31 Å²	31	49 Å²	49	20%	0.201	24%	0.237	C	C	.	.	H	α-helix	trans	-59.4	-31.5	176	-28.2	37.2	0	0	0	114.5	E1075 L1076 I1108 V1109 W1112	P1072-E1075 WeakPolarHBondContact CA-OE2 3.16Å; P1072-L1076 WeakPolarHBondContact O-CB 3.06Å; P1072-L1076 PolarHBondContact O-N 3.46Å; P1072-I1108 HydrophobicContact CB-CB 4.46Å; P1072-I1108 HydrophobicContact CB-CD1 4.41Å; P1072-I1108 HydrophobicContact CB-CG2 3.97Å; P1072-I1108 HydrophobicContact CG-CD1 3.86Å; P1072-V1109 VanDerWaalsContact O-CG2 3.25Å; P1072-V1109 WeakPolarHBondContact O-CG2 3.35Å; P1072-W1112 HydrophobicContact CB-CH2 3.67Å; P1072-W1112 HydrophobicContact CB-CZ3 3.99Å; P1072-W1112 WeakPolarHBondContact O-CZ3 3.33Å
1073	R	93.4	Very high	91.1	Very high	92 Å²	92	45.2 Å²	45.2	35%	0.347	22%	0.223	S	C	.	.	H	α-helix	trans	-76.3	-30.7	175.3	-76.3	-179.4	-178.1	170.4	3	111.8	V1069 T1070 L1071 L1077 F1123	V1069-R1073 HydrophobicContact CG1-CB 3.26Å; V1069-R1073 HydrophobicContact CG1-CG 4.28Å; T1070-R1073 WeakPolarHBondContact O-CB 3.46Å; T1070-R1073 PolarHBondContact O-N 2.97Å; T1070-R1073 WeakPolarHBondContact OG1-CG 3.23Å; L1071-R1073 PolarHBondContact O-N 3.29Å; L1071-R1073 VanDerWaalsContact O-N 3.15Å; R1073-L1077 VanDerWaalsContact O-CG 3.26Å; R1073-L1077 WeakPolarHBondContact O-CG 3.33Å; R1073-L1077 PolarHBondContact O-N 3.31Å; R1073-F1123 HydrophobicContact CB-CD1 4.41Å; R1073-F1123 HydrophobicContact CB-CE1 3.68Å; R1073-F1123 HydrophobicContact CB-CZ 4.2Å; R1073-F1123 HydrophobicContact CG-CD1 3.81Å; R1073-F1123 HydrophobicContact CG-CE1 3.58Å; R1073-F1123 HydrophobicContact CG-CZ 4.43Å
1074	L	93	Very high	91.2	Very high	4 Å²	4	45 Å²	45	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-69.6	-41.4	171.4	-67.3	168.8	0	0	0	110.6	A1032 S1033 Y1037 A1064 V1069 T1070 L1071 L1076 L1077 G1078	A1032-L1074 HydrophobicContact CB-CB 3.88Å; A1032-L1074 WeakPolarHBondContact CB-O 3.32Å; S1033-L1074 WeakPolarHBondContact O-CD1 3.24Å; Y1037-L1074 HydrophobicContact CD1-CD2 4.39Å; A1064-L1074 HydrophobicContact CB-CD1 4.46Å; A1064-L1074 HydrophobicContact CB-CD2 3.9Å; V1069-L1074 HydrophobicContact CB-CD2 4.05Å; V1069-L1074 HydrophobicContact CB-CG 4.12Å; V1069-L1074 HydrophobicContact CG1-CD2 4.29Å; V1069-L1074 HydrophobicContact CG1-CG 4.15Å; T1070-L1074 PolarHBondContact O-N 3.36Å; L1071-L1074 CarbonylContact O-C 3.46Å; L1071-L1074 WeakPolarHBondContact O-CA 3.12Å; L1071-L1074 WeakPolarHBondContact O-CB 3.49Å; L1071-L1074 PolarHBondContact O-N 3.27Å; L1074-L1076 VanDerWaalsContact C-N 3.33Å; L1074-L1076 PolarHBondContact O-N 3.32Å; L1074-L1077 HydrophobicContact CD2-CD1 4.34Å; L1074-L1077 CarbonylContact O-C 3.54Å; L1074-L1077 WeakPolarHBondContact O-CA 3.42Å; L1074-L1077 WeakPolarHBondContact O-CB 3.44Å; L1074-L1077 PolarHBondContact O-N 2.91Å; L1074-L1077 VanDerWaalsContact O-N 3.08Å; L1074-G1078 PolarHBondContact O-N 3.27Å
1075	E	95.7	Very high	91.6	Very high	26 Å²	26	44.8 Å²	44.8	12%	0.121	22%	0.217	C	C	.	.	H	α-helix	trans	-59.5	-43.4	172.4	-67.8	167.5	168.6	0	0	110.8	A1032 L1071 P1072 L1077 G1078 T1079 S1106 V1109	A1032-E1075 HydrophobicContact CB-CB 4.36Å; A1032-E1075 HydrophobicContact CB-CG 3.96Å; L1071-E1075 HydrophobicContact CD1-CG 4.37Å; L1071-E1075 HydrophobicContact CG-CG 4.33Å; L1071-E1075 WeakPolarHBondContact O-CG 3.33Å; L1071-E1075 PolarHBondContact O-N 3.09Å; P1072-E1075 WeakPolarHBondContact CA-OE2 3.16Å; E1075-L1077 VanDerWaalsContact C-N 3.29Å; E1075-L1077 PolarHBondContact O-N 3.47Å; E1075-G1078 CarbonylContact O-C 3.57Å; E1075-G1078 WeakPolarHBondContact O-CA 3.14Å; E1075-G1078 PolarHBondContact O-N 2.99Å; E1075-T1079 PolarHBondContact O-N 3Å; E1075-S1106 WeakPolarHBondContact OE2-CB 3.31Å; E1075-S1106 PolarHBondContact OE2-OG 3.2Å; E1075-V1109 HydrophobicContact CB-CG2 3.65Å
1076	L	96.5	Very high	92.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-33.8	173.3	-178	64.1	0	0	0	112.9	P1072 L1074 T1079 L1080 V1109 W1112 F1123 V1124 R1127 V1128 I1131	P1072-L1076 WeakPolarHBondContact O-CB 3.06Å; P1072-L1076 PolarHBondContact O-N 3.46Å; L1074-L1076 VanDerWaalsContact C-N 3.33Å; L1074-L1076 PolarHBondContact O-N 3.32Å; L1076-T1079 WeakPolarHBondContact CA-OG1 3.43Å; L1076-T1079 PolarHBondContact O-OG1 3.46Å; L1076-L1080 WeakPolarHBondContact O-CB 3.3Å; L1076-L1080 PolarHBondContact O-N 2.95Å; L1076-V1109 HydrophobicContact CB-CG1 4.36Å; L1076-V1109 HydrophobicContact CB-CG2 4.05Å; L1076-V1109 HydrophobicContact CD1-CG1 3.97Å; L1076-W1112 HydrophobicContact CB-CE3 4.35Å; L1076-W1112 HydrophobicContact CB-CZ3 4.23Å; L1076-W1112 HydrophobicContact CD1-CE3 4.49Å; L1076-W1112 HydrophobicContact CD2-CE3 3.99Å; L1076-W1112 HydrophobicContact CD2-CZ3 4.15Å; L1076-F1123 HydrophobicContact CD2-CE1 4.34Å; L1076-V1124 HydrophobicContact CD2-CB 4.14Å; L1076-V1124 HydrophobicContact CD2-CG1 3.97Å; L1076-V1124 HydrophobicContact CD2-CG2 4.05Å; L1076-R1127 HydrophobicContact CD2-CB 4.11Å; L1076-R1127 HydrophobicContact CG-CB 4.18Å; L1076-V1128 HydrophobicContact CD1-CG2 4.18Å; L1076-I1131 HydrophobicContact CD1-CD1 3.88Å
1077	L	95.7	Very high	92.9	Very high	20 Å²	20	39.5 Å²	39.5	11%	0.105	19%	0.186	C	C	.	.	H	α-helix	trans	-71.6	-34.7	173.4	-69.7	171	0	0	0	111.5	Y1037 R1073 L1074 E1075 I1081 F1123	Y1037-L1077 HydrophobicContact CD2-CB 3.84Å; Y1037-L1077 HydrophobicContact CE2-CB 3.54Å; Y1037-L1077 HydrophobicContact CG-CB 4.44Å; R1073-L1077 VanDerWaalsContact O-CG 3.26Å; R1073-L1077 WeakPolarHBondContact O-CG 3.33Å; R1073-L1077 PolarHBondContact O-N 3.31Å; L1074-L1077 HydrophobicContact CD2-CD1 4.34Å; L1074-L1077 CarbonylContact O-C 3.54Å; L1074-L1077 WeakPolarHBondContact O-CA 3.42Å; L1074-L1077 WeakPolarHBondContact O-CB 3.44Å; L1074-L1077 PolarHBondContact O-N 2.91Å; L1074-L1077 VanDerWaalsContact O-N 3.08Å; E1075-L1077 VanDerWaalsContact C-N 3.29Å; E1075-L1077 PolarHBondContact O-N 3.47Å; L1077-I1081 WeakPolarHBondContact O-CG1 3.45Å; L1077-I1081 PolarHBondContact O-N 2.92Å; L1077-F1123 HydrophobicContact CD1-CZ 4.36Å; L1077-F1123 HydrophobicContact CD2-CZ 4.24Å; L1077-F1123 HydrophobicContact CG-CZ 4.28Å
1078	G	96	Very high	93.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-47.6	170.4	0	0	0	0	0	111.9	L1074 E1075 I1081 G1082	L1074-G1078 PolarHBondContact O-N 3.27Å; E1075-G1078 CarbonylContact O-C 3.57Å; E1075-G1078 WeakPolarHBondContact O-CA 3.14Å; E1075-G1078 PolarHBondContact O-N 2.99Å; G1078-I1081 WeakPolarHBondContact O-CB 3.44Å; G1078-I1081 PolarHBondContact O-N 2.69Å; G1078-G1082 PolarHBondContact O-N 2.72Å
1079	T	97.5	Very high	94.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.7	-39.1	177.8	58.8	0	0	0	0	112.7	C1030 E1075 L1076 I1081 G1082 A1083 V1109 I1113 W1140	C1030-T1079 HydrophobicContact CB-CG2 3.96Å; E1075-T1079 PolarHBondContact O-N 3Å; L1076-T1079 WeakPolarHBondContact CA-OG1 3.43Å; L1076-T1079 PolarHBondContact O-OG1 3.46Å; T1079-I1081 PolarHBondContact O-N 2.83Å; T1079-G1082 WeakPolarHBondContact O-CA 3.34Å; T1079-G1082 PolarHBondContact O-N 3.13Å; T1079-G1082 VanDerWaalsContact O-N 3.12Å; T1079-A1083 PolarHBondContact O-N 3.46Å; T1079-V1109 HydrophobicContact CG2-CG1 3.61Å; T1079-V1109 WeakPolarHBondContact OG1-CG1 3.42Å; T1079-I1113 HydrophobicContact CG2-CD1 4.35Å; T1079-W1140 HydrophobicContact CG2-CE3 4.32Å; T1079-W1140 HydrophobicContact CG2-CH2 4.08Å; T1079-W1140 HydrophobicContact CG2-CZ3 3.53Å; T1079-W1140 VanDerWaalsContact O-CH2 3.32Å; T1079-W1140 WeakPolarHBondContact O-CH2 3.39Å
1080	L	96.7	Very high	95.1	Very high	9 Å²	9	28 Å²	28	5%	0.047	13%	0.134	C	C	.	.	H	α-helix	trans	-60.3	-44.7	172.4	177.1	63.2	0	0	0	112	L1076 G1082 A1083 R1084 R1127 E1130 I1131	L1076-L1080 WeakPolarHBondContact O-CB 3.3Å; L1076-L1080 PolarHBondContact O-N 2.95Å; L1080-G1082 VanDerWaalsContact C-N 3.26Å; L1080-G1082 PolarHBondContact O-N 3.28Å; L1080-A1083 PolarHBondContact O-N 3.48Å; L1080-R1084 HydrophobicContact CD1-CG 4.39Å; L1080-R1084 WeakPolarHBondContact O-CG 3.43Å; L1080-R1084 PolarHBondContact O-N 2.89Å; L1080-R1127 HydrophobicContact CD2-CB 4.31Å; L1080-R1127 HydrophobicContact CD2-CG 3.62Å; L1080-E1130 HydrophobicContact CD1-CB 4.06Å; L1080-E1130 HydrophobicContact CD1-CG 3.95Å; L1080-I1131 HydrophobicContact CB-CD1 4.28Å; L1080-I1131 HydrophobicContact CB-CG1 4.32Å; L1080-I1131 HydrophobicContact CD1-CG1 3.96Å
1081	I	95.2	Very high	95.4	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-58.1	-42.7	173.6	-79.4	-172.5	0	0	0	110.6	V621 Y1037 A1039 K1060 R1062 L1077 G1078 T1079 R1084 L1085	V621-I1081 HydrophobicContact CG1-CG2 3.86Å; Y1037-I1081 HydrophobicContact CD2-CD1 3.64Å; Y1037-I1081 HydrophobicContact CD2-CG1 4.41Å; Y1037-I1081 HydrophobicContact CE2-CD1 3.2Å; Y1037-I1081 HydrophobicContact CE2-CG1 3.95Å; A1039-I1081 HydrophobicContact CB-CG2 3.89Å; K1060-I1081 HydrophobicContact CB-CG2 4.34Å; R1062-I1081 HydrophobicContact CB-CD1 4.1Å; R1062-I1081 HydrophobicContact CG-CD1 3.73Å; L1077-I1081 WeakPolarHBondContact O-CG1 3.45Å; L1077-I1081 PolarHBondContact O-N 2.92Å; G1078-I1081 WeakPolarHBondContact O-CB 3.44Å; G1078-I1081 PolarHBondContact O-N 2.69Å; T1079-I1081 PolarHBondContact O-N 2.83Å; I1081-R1084 PolarHBondContact O-N 3.45Å; I1081-L1085 WeakPolarHBondContact O-CB 3.39Å; I1081-L1085 PolarHBondContact O-N 3.14Å
1082	G	97.6	Very high	95.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.9	-49.2	175.4	0	0	0	0	0	112.6	A1039 G1078 T1079 L1080 R1084 L1085 T1086	A1039-G1082 VanDerWaalsContact CB-CA 3.42Å; G1078-G1082 PolarHBondContact O-N 2.72Å; T1079-G1082 WeakPolarHBondContact O-CA 3.34Å; T1079-G1082 PolarHBondContact O-N 3.13Å; T1079-G1082 VanDerWaalsContact O-N 3.12Å; L1080-G1082 VanDerWaalsContact C-N 3.26Å; L1080-G1082 PolarHBondContact O-N 3.28Å; G1082-R1084 PolarHBondContact O-N 3.23Å; G1082-L1085 PolarHBondContact O-N 3.34Å; G1082-T1086 WeakPolarHBondContact O-CB 3.43Å; G1082-T1086 PolarHBondContact O-N 2.79Å; G1082-T1086 PolarHBondContact O-OG1 3.13Å
1083	A	97.7	Very high	95.7	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.6	-47.4	178.2	0	0	0	0	0	112.1	T1079 L1080 T1086 S1087 I1131 L1134 W1140	T1079-A1083 PolarHBondContact O-N 3.46Å; L1080-A1083 PolarHBondContact O-N 3.48Å; A1083-T1086 PolarHBondContact O-N 3.01Å; A1083-S1087 WeakPolarHBondContact O-CB 3.49Å; A1083-S1087 PolarHBondContact O-N 2.85Å; A1083-I1131 HydrophobicContact CB-CG1 4.25Å; A1083-L1134 HydrophobicContact CB-CB 4Å; A1083-L1134 HydrophobicContact CB-CD1 4.05Å; A1083-W1140 HydrophobicContact CB-CZ2 4.2Å
1084	R	96.5	Very high	95.5	Very high	24 Å²	24	24.1 Å²	24.1	9%	0.091	12%	0.116	C	C	.	.	H	α-helix	trans	-62.4	-46.8	177.3	-67.8	-179.4	-177.7	-176.4	-1.8	111.7	G620 V621 E623 L1080 I1081 G1082 T1086 S1087 F1088 E1130 L1134	G620-R1084 CarbonylContact O-C 3.59Å; V621-R1084 VanDerWaalsContact O-CD 3.26Å; V621-R1084 WeakPolarHBondContact O-CD 3.44Å; V621-R1084 PolarHBondContact O-NH1 3.31Å; V621-R1084 VanDerWaalsContact O-NH1 3.08Å; E623-R1084 IonicContact OE1-CZ 3.69Å; E623-R1084 IonicContact OE1-NH1 3.83Å; E623-R1084 IonicContact OE1-NH2 2.67Å; E623-R1084 PolarHBondContact OE1-NH2 2.86Å; L1080-R1084 HydrophobicContact CD1-CG 4.39Å; L1080-R1084 WeakPolarHBondContact O-CG 3.43Å; L1080-R1084 PolarHBondContact O-N 2.89Å; I1081-R1084 PolarHBondContact O-N 3.45Å; G1082-R1084 PolarHBondContact O-N 3.23Å; R1084-T1086 VanDerWaalsContact C-N 3.32Å; R1084-T1086 PolarHBondContact O-N 3.48Å; R1084-S1087 PolarHBondContact O-N 2.89Å; R1084-F1088 WeakPolarHBondContact O-CB 3.12Å; R1084-F1088 PolarHBondContact O-N 2.79Å; R1084-E1130 IonicContact CZ-OE1 3.73Å; R1084-E1130 IonicContact CZ-OE2 3.69Å; R1084-E1130 IonicContact NE-OE1 3.04Å; R1084-E1130 PolarHBondContact NE-OE1 3.2Å; R1084-E1130 IonicContact NE-OE2 3.88Å; R1084-E1130 IonicContact NH2-OE1 2.83Å; R1084-E1130 PolarHBondContact NH2-OE1 3.41Å; R1084-E1130 IonicContact NH2-OE2 3.81Å; R1084-E1130 PolarHBondContact NH2-OE2 3.3Å; R1084-L1134 HydrophobicContact CB-CD1 4.44Å; R1084-L1134 HydrophobicContact CG-CD1 3.67Å
1085	L	97.3	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.3	-41.7	-178.7	-174.7	61.1	0	0	0	111.6	G620 V621 A1039 V1041 M1058 K1060 I1081 G1082 F1088 V1089	G620-L1085 WeakPolarHBondContact O-CA 3.35Å; G620-L1085 PolarHBondContact O-N 2.92Å; V621-L1085 HydrophobicContact CG1-CB 4.08Å; V621-L1085 HydrophobicContact CG1-CD1 4.35Å; A1039-L1085 HydrophobicContact CB-CD2 4.44Å; V1041-L1085 HydrophobicContact CG2-CB 4.36Å; V1041-L1085 HydrophobicContact CG2-CD2 3.85Å; V1041-L1085 HydrophobicContact CG2-CG 3.76Å; M1058-L1085 HydrophobicContact CB-CD1 4.42Å; M1058-L1085 HydrophobicContact CE-CD1 3.94Å; M1058-L1085 HydrophobicContact CG-CD1 3.91Å; M1058-L1085 HydrophobicContact SD-CD1 3.7Å; K1060-L1085 HydrophobicContact CB-CD2 4.35Å; K1060-L1085 HydrophobicContact CG-CD1 3.88Å; K1060-L1085 HydrophobicContact CG-CD2 4.41Å; I1081-L1085 WeakPolarHBondContact O-CB 3.39Å; I1081-L1085 PolarHBondContact O-N 3.14Å; G1082-L1085 PolarHBondContact O-N 3.34Å; L1085-F1088 PolarHBondContact O-N 3.09Å; L1085-V1089 WeakPolarHBondContact O-CB 3.44Å; L1085-V1089 VanDerWaalsContact O-CG2 3.28Å; L1085-V1089 WeakPolarHBondContact O-CG2 3.27Å; L1085-V1089 PolarHBondContact O-N 2.91Å
1086	T	97.7	Very high	95	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-71.4	-39.9	179.8	-55.7	0	0	0	0	112.2	L1026 T1028 V1041 G1082 A1083 R1084 V1089 R1090 T1100 Y1102	L1026-T1086 HydrophobicContact CD1-CG2 4.32Å; T1028-T1086 WeakPolarHBondContact CG2-OG1 3.36Å; T1028-T1086 PolarHBondContact OG1-OG1 2.82Å; V1041-T1086 WeakPolarHBondContact CG2-OG1 3.2Å; G1082-T1086 WeakPolarHBondContact O-CB 3.43Å; G1082-T1086 PolarHBondContact O-N 2.79Å; G1082-T1086 PolarHBondContact O-OG1 3.13Å; A1083-T1086 PolarHBondContact O-N 3.01Å; R1084-T1086 VanDerWaalsContact C-N 3.32Å; R1084-T1086 PolarHBondContact O-N 3.48Å; T1086-V1089 PolarHBondContact O-N 3.49Å; T1086-R1090 VanDerWaalsContact O-CB 3.31Å; T1086-R1090 WeakPolarHBondContact O-CB 3.27Å; T1086-R1090 PolarHBondContact O-N 3.5Å; T1086-T1100 HydrophobicContact CG2-CG2 3.67Å; T1086-Y1102 WeakPolarHBondContact CB-OH 3.41Å; T1086-Y1102 HydrophobicContact CG2-CE1 3.9Å; T1086-Y1102 WeakPolarHBondContact CG2-OH 3.36Å; T1086-Y1102 WeakPolarHBondContact OG1-CE1 3.42Å
1087	S	95.6	Very high	94.8	Very high	41 Å²	41	28.9 Å²	28.9	29%	0.287	15%	0.148	S	C	.	.	H	α-helix	trans	-59.3	-46.5	172.2	-178	0	0	0	0	111.3	A1083 R1084 R1090 S1091	A1083-S1087 WeakPolarHBondContact O-CB 3.49Å; A1083-S1087 PolarHBondContact O-N 2.85Å; R1084-S1087 PolarHBondContact O-N 2.89Å; S1087-R1090 PolarHBondContact O-N 2.75Å; S1087-S1091 PolarHBondContact O-N 3.14Å; S1087-S1091 PolarHBondContact O-OG 2.8Å
1088	F	95.6	Very high	94.6	Very high	31 Å²	31	32.8 Å²	32.8	14%	0.136	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-51.8	174.4	176.1	-99.6	0	0	0	111.9	I619 V763 I767 M1058 R1084 L1085 R1090 S1091 Q1092	I619-F1088 HydrophobicContact CG2-CE2 4.41Å; I619-F1088 HydrophobicContact CG2-CZ 3.95Å; V763-F1088 HydrophobicContact CB-CE1 4.31Å; V763-F1088 HydrophobicContact CB-CZ 4.17Å; V763-F1088 HydrophobicContact CG1-CE1 3.81Å; V763-F1088 HydrophobicContact CG1-CZ 4.18Å; I767-F1088 HydrophobicContact CD1-CE1 4.16Å; M1058-F1088 HydrophobicContact CE-CD1 4.45Å; M1058-F1088 HydrophobicContact CE-CE1 4.15Å; M1058-F1088 HydrophobicContact SD-CD1 3.99Å; M1058-F1088 HydrophobicContact SD-CE1 3.85Å; R1084-F1088 WeakPolarHBondContact O-CB 3.12Å; R1084-F1088 PolarHBondContact O-N 2.79Å; L1085-F1088 PolarHBondContact O-N 3.09Å; F1088-R1090 VanDerWaalsContact C-N 3.31Å; F1088-R1090 PolarHBondContact O-N 3.43Å; F1088-S1091 PolarHBondContact O-N 3.45Å; F1088-S1091 PolarHBondContact O-OG 2.93Å; F1088-Q1092 HydrophobicContact CD1-CG 4.28Å; F1088-Q1092 HydrophobicContact CD2-CG 4.13Å; F1088-Q1092 HydrophobicContact CE1-CG 3.88Å; F1088-Q1092 HydrophobicContact CE2-CG 3.72Å; F1088-Q1092 HydrophobicContact CG-CG 4.4Å; F1088-Q1092 HydrophobicContact CZ-CG 3.59Å; F1088-Q1092 WeakPolarHBondContact O-CG 3.44Å; F1088-Q1092 PolarHBondContact O-N 2.93Å
1089	V	96.4	Very high	94.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-56.1	-46.2	178.9	162.7	0	0	0	0	111	I767 V1041 I1057 M1058 L1085 T1086 S1091 Q1092 L1093	I767-V1089 HydrophobicContact CD1-CG2 4.33Å; V1041-V1089 HydrophobicContact CB-CG2 4.44Å; V1041-V1089 HydrophobicContact CG1-CG1 4.13Å; V1041-V1089 HydrophobicContact CG2-CG2 4.41Å; I1057-V1089 HydrophobicContact CB-CG1 4.44Å; I1057-V1089 HydrophobicContact CD1-CG1 3.76Å; I1057-V1089 HydrophobicContact CG2-CG1 3.93Å; I1057-V1089 HydrophobicContact CG2-CG2 4.18Å; M1058-V1089 HydrophobicContact CB-CG2 4Å; M1058-V1089 HydrophobicContact SD-CG2 4.29Å; L1085-V1089 WeakPolarHBondContact O-CB 3.44Å; L1085-V1089 VanDerWaalsContact O-CG2 3.28Å; L1085-V1089 WeakPolarHBondContact O-CG2 3.27Å; L1085-V1089 PolarHBondContact O-N 2.91Å; T1086-V1089 PolarHBondContact O-N 3.49Å; V1089-S1091 PolarHBondContact O-N 3.19Å; V1089-Q1092 PolarHBondContact O-N 3.49Å; V1089-L1093 WeakPolarHBondContact O-CB 3.37Å; V1089-L1093 PolarHBondContact O-N 2.93Å
1090	R	94.7	Very high	94.4	Very high	151 Å²	151	34.6 Å²	34.6	57%	0.57	18%	0.181	S	C	*	.	H	α-helix	trans	-61.4	-43.9	179.3	-177.7	175.6	162.9	173.8	-5.2	111.9	L1026 T1086 S1087 F1088 Q1092	L1026-R1090 HydrophobicContact CD1-CB 4.37Å; T1086-R1090 VanDerWaalsContact O-CB 3.31Å; T1086-R1090 WeakPolarHBondContact O-CB 3.27Å; T1086-R1090 PolarHBondContact O-N 3.5Å; S1087-R1090 PolarHBondContact O-N 2.75Å; F1088-R1090 VanDerWaalsContact C-N 3.31Å; F1088-R1090 PolarHBondContact O-N 3.43Å; R1090-Q1092 VanDerWaalsContact C-N 3.33Å; R1090-Q1092 PolarHBondContact O-N 3.33Å
1091	S	93.4	Very high	94.4	Very high	64 Å²	64	35.6 Å²	35.6	45%	0.448	19%	0.185	S	C	.	.	H	α-helix	trans	-65.2	-35.1	177.2	69.7	0	0	0	0	112.9	S1087 F1088 V1089	S1087-S1091 PolarHBondContact O-N 3.14Å; S1087-S1091 PolarHBondContact O-OG 2.8Å; F1088-S1091 PolarHBondContact O-N 3.45Å; F1088-S1091 PolarHBondContact O-OG 2.93Å; V1089-S1091 PolarHBondContact O-N 3.19Å
1092	Q	94.7	Very high	94.5	Very high	35 Å²	35	35.5 Å²	35.5	16%	0.164	18%	0.184	C	C	.	.	H	α-helix	trans	-83	-31.7	-179.2	-67.2	-45.9	-51.8	0	0	114	G764 I767 R768 F1088 V1089 R1090 K1094	G764-Q1092 VanDerWaalsContact CA-OE1 3.27Å; I767-Q1092 HydrophobicContact CD1-CB 4.07Å; R768-Q1092 WeakPolarHBondContact CD-O 3.23Å; R768-Q1092 WeakPolarHBondContact CG-O 3.49Å; R768-Q1092 PolarHBondContact NH1-O 3.47Å; F1088-Q1092 HydrophobicContact CD1-CG 4.28Å; F1088-Q1092 HydrophobicContact CD2-CG 4.13Å; F1088-Q1092 HydrophobicContact CE1-CG 3.88Å; F1088-Q1092 HydrophobicContact CE2-CG 3.72Å; F1088-Q1092 HydrophobicContact CG-CG 4.4Å; F1088-Q1092 HydrophobicContact CZ-CG 3.59Å; F1088-Q1092 WeakPolarHBondContact O-CG 3.44Å; F1088-Q1092 PolarHBondContact O-N 2.93Å; V1089-Q1092 PolarHBondContact O-N 3.49Å; R1090-Q1092 VanDerWaalsContact C-N 3.33Å; R1090-Q1092 PolarHBondContact O-N 3.33Å; Q1092-K1094 VanDerWaalsContact C-N 3.29Å; Q1092-K1094 PolarHBondContact O-N 3.5Å
1093	L	93	Very high	94.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.2	-30.4	-176.4	-167.6	65.5	0	0	0	111.9	I767 R771 L1013 I1015 L1043 I1057 V1089 I1095	I767-L1093 HydrophobicContact CG2-CB 4.12Å; I767-L1093 HydrophobicContact CG2-CD1 3.52Å; I767-L1093 HydrophobicContact CG2-CG 4.43Å; R771-L1093 WeakPolarHBondContact CD-O 3.49Å; R771-L1093 HydrophobicContact CG-CD1 4.17Å; L1013-L1093 HydrophobicContact CD1-CD1 3.91Å; I1015-L1093 HydrophobicContact CD1-CD1 4.23Å; L1043-L1093 HydrophobicContact CD1-CD2 3.88Å; I1057-L1093 HydrophobicContact CD1-CD2 4.36Å; V1089-L1093 WeakPolarHBondContact O-CB 3.37Å; V1089-L1093 PolarHBondContact O-N 2.93Å; L1093-I1095 VanDerWaalsContact C-N 3.32Å; L1093-I1095 HydrophobicContact CD1-CD1 4.43Å; L1093-I1095 HydrophobicContact CD2-CD1 3.36Å; L1093-I1095 HydrophobicContact CD2-CG1 3.68Å; L1093-I1095 HydrophobicContact CG-CD1 3.66Å; L1093-I1095 HydrophobicContact CG-CG1 3.73Å; L1093-I1095 PolarHBondContact O-N 3.48Å
1094	K	89.7	Confident	94.1	Very high	93 Å²	93	37.7 Å²	37.7	40%	0.404	19%	0.193	S	C	.	.			trans	48.6	50.2	175.7	-64	-168.8	171.9	-173.4	0	113	D853 Q1092	D853-K1094 IonicContact OD1-NZ 3.21Å; D853-K1094 PolarHBondContact OD1-NZ 3.38Å; D853-K1094 IonicContact OD2-NZ 3.19Å; D853-K1094 PolarHBondContact OD2-NZ 3.37Å; Q1092-K1094 VanDerWaalsContact C-N 3.29Å; Q1092-K1094 PolarHBondContact O-N 3.5Å
1095	I	89.6	Confident	93.5	Very high	22 Å²	22	38.6 Å²	38.6	11%	0.113	20%	0.199	C	C	.	.	S	Bend	trans	-137.8	160.1	171.6	69.4	179.8	0	0	0	109.4	R771 I1015 V1024 L1043 L1093 V1097	R771-I1095 HydrophobicContact CG-CG2 4.47Å; I1015-I1095 HydrophobicContact CD1-CD1 3.44Å; I1015-I1095 VanDerWaalsContact CD1-CD1 3.44Å; I1015-I1095 HydrophobicContact CD1-CG2 4.23Å; I1015-I1095 HydrophobicContact CG1-CD1 3.86Å; I1015-I1095 HydrophobicContact CG2-CD1 3.9Å; I1015-I1095 HydrophobicContact CG2-CG2 4.42Å; V1024-I1095 HydrophobicContact CG1-CD1 4.08Å; L1043-I1095 HydrophobicContact CD1-CD1 4.25Å; L1093-I1095 VanDerWaalsContact C-N 3.32Å; L1093-I1095 HydrophobicContact CD1-CD1 4.43Å; L1093-I1095 HydrophobicContact CD2-CD1 3.36Å; L1093-I1095 HydrophobicContact CD2-CG1 3.68Å; L1093-I1095 HydrophobicContact CG-CD1 3.66Å; L1093-I1095 HydrophobicContact CG-CG1 3.73Å; L1093-I1095 PolarHBondContact O-N 3.48Å; I1095-V1097 HydrophobicContact CG1-CG2 4.19Å
1096	P	89	Confident	93	Very high	79 Å²	79	38.8 Å²	38.8	51%	0.513	20%	0.201	S	C	.	.			trans	-61.1	134.5	164.4	-21.1	33.8	0	0	0	111.8	E1018	E1018-P1096 HydrophobicContact CG-CG 4.38Å
1097	V	91.5	Very high	92.5	Very high	30 Å²	30	44.5 Å²	44.5	18%	0.182	23%	0.227	C	C	.	.			trans	-124.9	116	174.3	173.9	0	0	0	0	107.6	L1026 I1095 S1099	L1026-V1097 HydrophobicContact CB-CG1 4.36Å; L1026-V1097 HydrophobicContact CD1-CG1 4.07Å; L1026-V1097 HydrophobicContact CD1-CG2 4.12Å; L1026-V1097 HydrophobicContact CG-CG1 3.76Å; L1026-V1097 HydrophobicContact CG-CG2 4.23Å; I1095-V1097 HydrophobicContact CG1-CG2 4.19Å; V1097-S1099 VanDerWaalsContact CG1-O 3.31Å; V1097-S1099 WeakPolarHBondContact CG1-O 3.46Å; V1097-S1099 PolarHBondContact O-N 3.41Å
1098	D	91.7	Very high	92.1	Very high	102 Å²	102	46.6 Å²	46.6	55%	0.545	23%	0.234	S	C	.	.	S	Bend	trans	-67.9	-37.2	-175.6	-59.4	-79.4	0	0	0	112.7	Q1023 V1024	Q1023-D1098 WeakPolarHBondContact CA-OD2 3.41Å; V1024-D1098 PolarHBondContact N-OD2 2.81Å; V1024-D1098 WeakPolarHBondContact O-CB 3.35Å; V1024-D1098 PolarHBondContact O-N 2.93Å
1099	S	93	Very high	92	Very high	28 Å²	28	45.1 Å²	45.1	20%	0.196	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	149.3	-177.1	53	0	0	0	0	112.7	Q1025 L1026 V1097 F1101	Q1025-S1099 CarbonylContact C-O 3.55Å; Q1025-S1099 VanDerWaalsContact CA-O 3.31Å; Q1025-S1099 WeakPolarHBondContact CA-O 3.41Å; Q1025-S1099 VanDerWaalsContact CG-OG 3.27Å; Q1025-S1099 WeakPolarHBondContact CG-OG 3.29Å; L1026-S1099 PolarHBondContact N-O 2.89Å; V1097-S1099 VanDerWaalsContact CG1-O 3.31Å; V1097-S1099 WeakPolarHBondContact CG1-O 3.46Å; V1097-S1099 PolarHBondContact O-N 3.41Å; S1099-F1101 VanDerWaalsContact OG-CE2 3.29Å; S1099-F1101 WeakPolarHBondContact OG-CE2 3.48Å
1100	T	96.7	Very high	91.8	Very high	9 Å²	9	45.5 Å²	45.5	6%	0.055	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.8	177.7	-60.1	0	0	0	0	109.1	L1026 T1086 Y1102	L1026-T1100 HydrophobicContact CB-CG2 4.18Å; L1026-T1100 CarbonylContact O-C 3.59Å; L1026-T1100 WeakPolarHBondContact O-CA 3.3Å; T1086-T1100 HydrophobicContact CG2-CG2 3.67Å; T1100-Y1102 HydrophobicContact CG2-CD2 4.43Å; T1100-Y1102 HydrophobicContact CG2-CE2 3.69Å
1101	F	96.2	Very high	91.5	Very high	30 Å²	30	41 Å²	41	13%	0.132	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.1	-178.6	-54.7	-75.1	0	0	0	110.3	Q1025 L1026 H1027 T1028 S1099 W1103 R1141	Q1025-F1101 HydrophobicContact CB-CE2 4.3Å; L1026-F1101 PolarHBondContact O-N 3.19Å; H1027-F1101 CarbonylContact C-O 3.58Å; H1027-F1101 WeakPolarHBondContact CA-O 3.49Å; H1027-F1101 AromaticContact CE1-CD2 3.34Å; H1027-F1101 WeakPolarHBondContact CE1-CD2 3.45Å; H1027-F1101 AromaticContact CE1-CE2 3.99Å; H1027-F1101 AromaticContact ND1-CD2 3.91Å; H1027-F1101 AromaticContact NE2-CD2 3.42Å; H1027-F1101 WeakPolarHBondContact NE2-CD2 3.17Å; H1027-F1101 AromaticContact NE2-CE2 3.88Å; T1028-F1101 PolarHBondContact N-O 3.43Å; S1099-F1101 VanDerWaalsContact OG-CE2 3.29Å; S1099-F1101 WeakPolarHBondContact OG-CE2 3.48Å; F1101-W1103 HydrophobicContact CB-CZ2 4.28Å; F1101-R1141 VanDerWaalsContact CE1-CZ 3.44Å; F1101-R1141 VanDerWaalsContact CE1-NH2 3.27Å
1102	Y	97.9	Very high	91.6	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.02	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.4	173.9	-59	-92.5	0	0	0	109.6	T1028 T1086 T1100 S1135 Q1139 W1140 R1141	T1028-Y1102 HydrophobicContact CG2-CD1 3.95Å; T1028-Y1102 HydrophobicContact CG2-CE1 4.27Å; T1028-Y1102 CarbonylContact O-C 3.6Å; T1028-Y1102 WeakPolarHBondContact O-CA 3.46Å; T1086-Y1102 WeakPolarHBondContact CB-OH 3.41Å; T1086-Y1102 HydrophobicContact CG2-CE1 3.9Å; T1086-Y1102 WeakPolarHBondContact CG2-OH 3.36Å; T1086-Y1102 WeakPolarHBondContact OG1-CE1 3.42Å; T1100-Y1102 HydrophobicContact CG2-CD2 4.43Å; T1100-Y1102 HydrophobicContact CG2-CE2 3.69Å; Y1102-S1135 VanDerWaalsContact CE2-CB 3.45Å; Y1102-Q1139 HydrophobicContact CD2-CB 3.78Å; Y1102-Q1139 HydrophobicContact CE2-CB 4.14Å; Y1102-Q1139 PolarHBondContact N-O 3.29Å; Y1102-W1140 VanDerWaalsContact CB-CD2 3.43Å; Y1102-W1140 AromaticContact CD1-CH2 3.76Å; Y1102-W1140 HydrophobicContact CD1-CH2 3.76Å; Y1102-W1140 AromaticContact CD1-CZ2 3.69Å; Y1102-W1140 HydrophobicContact CD1-CZ2 3.69Å; Y1102-W1140 HydrophobicContact CD1-CZ3 4.38Å; Y1102-W1140 HydrophobicContact CD2-CD2 4.48Å; Y1102-W1140 HydrophobicContact CD2-CZ2 4.33Å; Y1102-W1140 HydrophobicContact CE1-CZ2 4.32Å; Y1102-W1140 HydrophobicContact CG-CD2 4.04Å; Y1102-W1140 AromaticContact CG-CE2 3.73Å; Y1102-W1140 HydrophobicContact CG-CE3 4.3Å; Y1102-W1140 AromaticContact CG-CH2 3.96Å; Y1102-W1140 HydrophobicContact CG-CH2 3.96Å; Y1102-W1140 AromaticContact CG-CZ2 3.71Å; Y1102-W1140 HydrophobicContact CG-CZ2 3.71Å; Y1102-W1140 HydrophobicContact CG-CZ3 4.26Å; Y1102-R1141 PolarHBondContact O-N 3.44Å
1103	W	95.1	Very high	91.6	Very high	43 Å²	43	38.5 Å²	38.5	16%	0.163	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.9	-173.3	-57.3	88.8	0	0	0	109.9	H1027 T1028 F1029 C1030 F1101 R1141 Y1142	H1027-W1103 AromaticContact ND1-CE2 3.93Å; H1027-W1103 AromaticContact ND1-NE1 3.23Å; H1027-W1103 PolarHBondContact ND1-NE1 2.74Å; T1028-W1103 PolarHBondContact O-N 3.37Å; F1029-W1103 HydrophobicContact CD1-CB 3.44Å; F1029-W1103 VanDerWaalsContact CD1-CB 3.44Å; F1029-W1103 AromaticContact CD1-CG 3.87Å; F1029-W1103 HydrophobicContact CD1-CG 3.87Å; F1029-W1103 HydrophobicContact CE1-CB 3.65Å; F1029-W1103 AromaticContact CE1-CD1 3.76Å; F1029-W1103 HydrophobicContact CE1-CD2 4.19Å; F1029-W1103 AromaticContact CE1-CG 3.56Å; F1029-W1103 HydrophobicContact CE1-CG 3.56Å; F1029-W1103 HydrophobicContact CG-CB 4.13Å; F1029-W1103 HydrophobicContact CZ-CB 4.48Å; F1029-W1103 AromaticContact CZ-CD1 3.74Å; F1029-W1103 HydrophobicContact CZ-CG 4.01Å; C1030-W1103 PolarHBondContact N-O 3Å; F1101-W1103 HydrophobicContact CB-CZ2 4.28Å; W1103-R1141 WeakPolarHBondContact CA-O 3.42Å; W1103-R1141 HydrophobicContact CD2-CB 4.11Å; W1103-R1141 HydrophobicContact CE3-CB 3.59Å; W1103-R1141 HydrophobicContact CH2-CB 3.99Å; W1103-R1141 HydrophobicContact CH2-CG 4.43Å; W1103-R1141 HydrophobicContact CZ2-CB 4.45Å; W1103-R1141 HydrophobicContact CZ3-CB 3.53Å; W1103-R1141 HydrophobicContact CZ3-CG 4.42Å; W1103-Y1142 WeakPolarHBondContact CZ3-O 3.24Å
1104	S	91.2	Very high	91.5	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	149.3	169.4	-178.5	0	0	0	0	108.7	S1106 R1141 Y1142 C1143	S1104-S1106 PolarHBondContact OG-N 3.24Å; S1104-R1141 PolarHBondContact N-O 3Å; S1104-Y1142 WeakPolarHBondContact O-CA 3.45Å; S1104-C1143 PolarHBondContact O-N 2.87Å
1105	D	83.2	Confident	91.3	Very high	42 Å²	42	41.3 Å²	41.3	23%	0.225	22%	0.223	C	C	.	.	S	Bend	trans	-94.1	2.4	173.5	76.8	-40.7	0	0	0	112.3	Y1142 C1143 R1146	D1105-Y1142 VanDerWaalsContact O-CE2 3.22Å; D1105-Y1142 WeakPolarHBondContact O-CE2 3.47Å; D1105-C1143 HydrophobicContact CB-CB 4.16Å; D1105-R1146 PolarHBondContact O-NH1 3.17Å; D1105-R1146 IonicContact OD2-CZ 2.73Å; D1105-R1146 IonicContact OD2-NH1 3.44Å; D1105-R1146 PolarHBondContact OD2-NH1 2.83Å; D1105-R1146 IonicContact OD2-NH2 3.57Å; D1105-R1146 PolarHBondContact OD2-NH2 2.81Å
1106	S	88	Confident	91.1	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.035	24%	0.239	C	C	.	.			trans	-90.9	102.4	176.2	-178.7	0	0	0	0	111.7	E1075 S1104 I1108 V1109 L1110	E1075-S1106 WeakPolarHBondContact OE2-CB 3.31Å; E1075-S1106 PolarHBondContact OE2-OG 3.2Å; S1104-S1106 PolarHBondContact OG-N 3.24Å; S1106-I1108 PolarHBondContact O-N 3.46Å; S1106-V1109 PolarHBondContact O-N 2.96Å; S1106-V1109 WeakPolarHBondContact OG-CG2 3.39Å; S1106-V1109 PolarHBondContact OG-N 2.64Å; S1106-L1110 WeakPolarHBondContact O-CG 3.17Å; S1106-L1110 PolarHBondContact O-N 3.46Å
1107	E	86	Confident	90.8	Very high	121 Å²	121	40.3 Å²	40.3	57%	0.565	22%	0.222	S	C	*	.	H	α-helix	trans	-62.8	-32.1	175.5	-62.5	-178.8	-154.6	0	0	112.1	L1110 A1111 Y1142	E1107-L1110 PolarHBondContact O-N 3.43Å; E1107-A1111 VanDerWaalsContact O-CB 3.29Å; E1107-A1111 WeakPolarHBondContact O-CB 3.5Å; E1107-A1111 PolarHBondContact O-N 2.97Å; E1107-Y1142 HydrophobicContact CG-CD2 3.81Å; E1107-Y1142 HydrophobicContact CG-CE2 3.35Å; E1107-Y1142 PolarHBondContact OE1-OH 2.79Å
1108	I	88.4	Confident	90.4	Very high	85 Å²	85	41.7 Å²	41.7	44%	0.436	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-48.9	176.9	-63.1	172.4	0	0	0	109.9	P1072 S1106 A1111 W1112	P1072-I1108 HydrophobicContact CB-CB 4.46Å; P1072-I1108 HydrophobicContact CB-CD1 4.41Å; P1072-I1108 HydrophobicContact CB-CG2 3.97Å; P1072-I1108 HydrophobicContact CG-CD1 3.86Å; S1106-I1108 PolarHBondContact O-N 3.46Å; I1108-A1111 PolarHBondContact O-N 3.42Å; I1108-W1112 HydrophobicContact CG2-CD2 4.08Å; I1108-W1112 HydrophobicContact CG2-CE3 4.3Å; I1108-W1112 HydrophobicContact CG2-CH2 3.83Å; I1108-W1112 HydrophobicContact CG2-CZ2 3.55Å; I1108-W1112 HydrophobicContact CG2-CZ3 4.19Å; I1108-W1112 PolarHBondContact O-N 3.39Å
1109	V	93.4	Very high	90.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.2	-40.7	179.5	173.6	0	0	0	0	110.9	P1072 E1075 L1076 T1079 S1106 A1111 W1112 I1113	P1072-V1109 VanDerWaalsContact O-CG2 3.25Å; P1072-V1109 WeakPolarHBondContact O-CG2 3.35Å; E1075-V1109 HydrophobicContact CB-CG2 3.65Å; L1076-V1109 HydrophobicContact CB-CG1 4.36Å; L1076-V1109 HydrophobicContact CB-CG2 4.05Å; L1076-V1109 HydrophobicContact CD1-CG1 3.97Å; T1079-V1109 HydrophobicContact CG2-CG1 3.61Å; T1079-V1109 WeakPolarHBondContact OG1-CG1 3.42Å; S1106-V1109 PolarHBondContact O-N 2.96Å; S1106-V1109 WeakPolarHBondContact OG-CG2 3.39Å; S1106-V1109 PolarHBondContact OG-N 2.64Å; V1109-A1111 VanDerWaalsContact C-N 3.31Å; V1109-A1111 PolarHBondContact O-N 2.89Å; V1109-W1112 HydrophobicContact CG2-CE3 4.11Å; V1109-W1112 HydrophobicContact CG2-CZ3 4.2Å; V1109-W1112 WeakPolarHBondContact O-CB 3.42Å; V1109-W1112 PolarHBondContact O-N 3.02Å; V1109-I1113 HydrophobicContact CG1-CD1 3.72Å; V1109-I1113 HydrophobicContact CG1-CG1 4.3Å; V1109-I1113 VanDerWaalsContact O-CG1 3.31Å; V1109-I1113 WeakPolarHBondContact O-CG1 3.48Å; V1109-I1113 PolarHBondContact O-N 3.33Å
1110	L	91.6	Very high	90	Very high	9 Å²	9	44.7 Å²	44.7	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-37.9	174.8	-68.7	174.3	0	0	0	112.1	S1106 E1107 I1113 K1114 W1140 Y1142	S1106-L1110 WeakPolarHBondContact O-CG 3.17Å; S1106-L1110 PolarHBondContact O-N 3.46Å; E1107-L1110 PolarHBondContact O-N 3.43Å; L1110-I1113 PolarHBondContact O-N 3.19Å; L1110-K1114 WeakPolarHBondContact O-CB 3.33Å; L1110-K1114 VanDerWaalsContact O-CG 3.27Å; L1110-K1114 WeakPolarHBondContact O-CG 3.31Å; L1110-K1114 PolarHBondContact O-N 2.9Å; L1110-W1140 HydrophobicContact CD2-CB 3.82Å; L1110-W1140 HydrophobicContact CD2-CE3 4.34Å; L1110-Y1142 HydrophobicContact CD1-CD2 3.74Å; L1110-Y1142 HydrophobicContact CD1-CG 4.32Å
1111	A	88.3	Confident	89.6	Confident	56 Å²	56	52.7 Å²	52.7	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-65.3	-40.3	174	0	0	0	0	0	111.6	E1107 I1108 V1109 K1114 G1115	E1107-A1111 VanDerWaalsContact O-CB 3.29Å; E1107-A1111 WeakPolarHBondContact O-CB 3.5Å; E1107-A1111 PolarHBondContact O-N 2.97Å; I1108-A1111 PolarHBondContact O-N 3.42Å; V1109-A1111 VanDerWaalsContact C-N 3.31Å; V1109-A1111 PolarHBondContact O-N 2.89Å; A1111-K1114 PolarHBondContact O-N 3.33Å; A1111-G1115 PolarHBondContact O-N 2.85Å
1112	W	95.9	Very high	89.1	Confident	46 Å²	46	57.5 Å²	57.5	17%	0.174	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-44.7	173.3	-68.7	-22.9	0	0	0	112.6	P1072 L1076 I1108 V1109 G1115 W1120 V1124 V1128	P1072-W1112 HydrophobicContact CB-CH2 3.67Å; P1072-W1112 HydrophobicContact CB-CZ3 3.99Å; P1072-W1112 WeakPolarHBondContact O-CZ3 3.33Å; L1076-W1112 HydrophobicContact CB-CE3 4.35Å; L1076-W1112 HydrophobicContact CB-CZ3 4.23Å; L1076-W1112 HydrophobicContact CD1-CE3 4.49Å; L1076-W1112 HydrophobicContact CD2-CE3 3.99Å; L1076-W1112 HydrophobicContact CD2-CZ3 4.15Å; I1108-W1112 HydrophobicContact CG2-CD2 4.08Å; I1108-W1112 HydrophobicContact CG2-CE3 4.3Å; I1108-W1112 HydrophobicContact CG2-CH2 3.83Å; I1108-W1112 HydrophobicContact CG2-CZ2 3.55Å; I1108-W1112 HydrophobicContact CG2-CZ3 4.19Å; I1108-W1112 PolarHBondContact O-N 3.39Å; V1109-W1112 HydrophobicContact CG2-CE3 4.11Å; V1109-W1112 HydrophobicContact CG2-CZ3 4.2Å; V1109-W1112 WeakPolarHBondContact O-CB 3.42Å; V1109-W1112 PolarHBondContact O-N 3.02Å; W1112-G1115 PolarHBondContact O-N 3.36Å; W1112-W1120 AromaticContact CD1-CD2 3.83Å; W1112-W1120 AromaticContact CD1-CE2 3.67Å; W1112-W1120 AromaticContact CD1-CE3 3.97Å; W1112-W1120 AromaticContact CD1-CH2 3.85Å; W1112-W1120 AromaticContact CD1-CZ2 3.69Å; W1112-W1120 AromaticContact CD1-CZ3 3.97Å; W1112-W1120 HydrophobicContact CG-CZ2 4.5Å; W1112-W1120 PolarHBondContact O-NE1 2.88Å; W1112-V1124 HydrophobicContact CB-CG1 4Å; W1112-V1124 HydrophobicContact CD2-CG1 3.66Å; W1112-V1124 HydrophobicContact CD2-CG2 4.34Å; W1112-V1124 HydrophobicContact CE3-CG1 3.89Å; W1112-V1124 HydrophobicContact CE3-CG2 4.2Å; W1112-V1124 HydrophobicContact CG-CG1 3.73Å; W1112-V1124 HydrophobicContact CH2-CG2 4.07Å; W1112-V1124 HydrophobicContact CZ2-CG2 4.23Å; W1112-V1124 HydrophobicContact CZ3-CG2 4.06Å; W1112-V1128 HydrophobicContact CB-CG2 4.1Å
1113	I	94.4	Very high	88.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-67.1	-37.1	179	-67.5	169.1	0	0	0	111.3	T1079 V1109 L1110 G1115 I1131 H1132 W1140	T1079-I1113 HydrophobicContact CG2-CD1 4.35Å; V1109-I1113 HydrophobicContact CG1-CD1 3.72Å; V1109-I1113 HydrophobicContact CG1-CG1 4.3Å; V1109-I1113 VanDerWaalsContact O-CG1 3.31Å; V1109-I1113 WeakPolarHBondContact O-CG1 3.48Å; V1109-I1113 PolarHBondContact O-N 3.33Å; L1110-I1113 PolarHBondContact O-N 3.19Å; I1113-G1115 VanDerWaalsContact C-N 3.34Å; I1113-I1131 HydrophobicContact CD1-CD1 4.1Å; I1113-I1131 HydrophobicContact CD1-CG2 4.34Å; I1113-I1131 HydrophobicContact CG1-CD1 4.17Å; I1113-I1131 HydrophobicContact CG1-CG2 4.3Å; I1113-I1131 HydrophobicContact CG2-CG2 4.14Å; I1113-H1132 PolarHBondContact O-NE2 3.5Å; I1113-W1140 HydrophobicContact CD1-CD2 3.82Å; I1113-W1140 HydrophobicContact CD1-CE3 3.88Å; I1113-W1140 HydrophobicContact CD1-CG 4.32Å; I1113-W1140 HydrophobicContact CD1-CZ2 4.46Å; I1113-W1140 HydrophobicContact CD1-CZ3 4.26Å; I1113-W1140 HydrophobicContact CG2-CB 4.25Å; I1113-W1140 HydrophobicContact CG2-CD2 4.28Å; I1113-W1140 HydrophobicContact CG2-CG 3.76Å
1114	K	90.1	Very high	88.6	Confident	131 Å²	131	58.1 Å²	58.1	57%	0.57	31%	0.313	S	S	*	.	H	α-helix	trans	-77.6	-19.1	178	-70.8	176.7	-179.8	-177.2	0	113.5	L1110 A1111	L1110-K1114 WeakPolarHBondContact O-CB 3.33Å; L1110-K1114 VanDerWaalsContact O-CG 3.27Å; L1110-K1114 WeakPolarHBondContact O-CG 3.31Å; L1110-K1114 PolarHBondContact O-N 2.9Å; A1111-K1114 PolarHBondContact O-N 3.33Å
1115	G	86	Confident	88.6	Confident	22 Å²	22	62.1 Å²	62.1	23%	0.227	33%	0.327	C	S	.	.	S	Bend	trans	-84.8	163.3	177.6	0	0	0	0	0	113.7	A1111 W1112 I1113	A1111-G1115 PolarHBondContact O-N 2.85Å; W1112-G1115 PolarHBondContact O-N 3.36Å; I1113-G1115 VanDerWaalsContact C-N 3.34Å
1116	A	86.1	Confident	88.9	Confident	55 Å²	55	63.2 Å²	63.2	46%	0.455	33%	0.333	S	S	.	.			trans	-68.1	129.4	174.2	0	0	0	0	0	110.8	G1118 N1119	A1116-G1118 PolarHBondContact O-N 3.29Å; A1116-G1118 VanDerWaalsContact O-N 3.16Å; A1116-N1119 WeakPolarHBondContact O-CB 3.3Å; A1116-N1119 PolarHBondContact O-N 3.41Å; A1116-N1119 VanDerWaalsContact O-N 3.11Å
1117	P	82.2	Confident	89.1	Confident	24 Å²	24	66.5 Å²	66.5	16%	0.156	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-59.9	-32.1	-174.1	-19.7	26.7	0	0	0	114.2	N1119 W1120 R1125 V1128 E1129 H1132	P1117-N1119 PolarHBondContact O-N 3.25Å; P1117-N1119 VanDerWaalsContact O-N 3.1Å; P1117-W1120 PolarHBondContact O-N 3.48Å; P1117-R1125 HydrophobicContact CB-CG 4.07Å; P1117-R1125 WeakPolarHBondContact O-CB 3.45Å; P1117-R1125 VanDerWaalsContact O-CG 3.22Å; P1117-R1125 WeakPolarHBondContact O-CG 3.34Å; P1117-V1128 HydrophobicContact CB-CB 4.48Å; P1117-V1128 HydrophobicContact CB-CG1 4.27Å; P1117-V1128 HydrophobicContact CG-CG1 4.02Å; P1117-E1129 HydrophobicContact CB-CG 3.45Å; P1117-E1129 VanDerWaalsContact CB-CG 3.45Å; P1117-E1129 HydrophobicContact CG-CG 3.84Å; P1117-H1132 WeakPolarHBondContact CG-ND1 3.29Å
1118	G	84.1	Confident	89.6	Confident	59 Å²	59	60.7 Å²	60.7	61%	0.608	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-58.3	-21.6	178.5	0	0	0	0	0	114.6	A1116 W1120	A1116-G1118 PolarHBondContact O-N 3.29Å; A1116-G1118 VanDerWaalsContact O-N 3.16Å; G1118-W1120 VanDerWaalsContact C-N 3.27Å; G1118-W1120 PolarHBondContact O-N 2.99Å
1119	N	85.5	Confident	89.9	Confident	120 Å²	120	60.4 Å²	60.4	64%	0.642	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-76.8	-14.3	178.3	-63.7	-16.2	0	0	0	112.9	A1116 P1117	A1116-N1119 WeakPolarHBondContact O-CB 3.3Å; A1116-N1119 PolarHBondContact O-N 3.41Å; A1116-N1119 VanDerWaalsContact O-N 3.11Å; P1117-N1119 PolarHBondContact O-N 3.25Å; P1117-N1119 VanDerWaalsContact O-N 3.1Å
1120	W	89.3	Confident	89.9	Confident	74 Å²	74	62.3 Å²	62.3	28%	0.28	32%	0.323	S	S	.	.	S	Bend	trans	-101.5	152	-173.2	-49	132	0	0	0	112.8	W1112 P1117 G1118 V1124 R1125	W1112-W1120 AromaticContact CD1-CD2 3.83Å; W1112-W1120 AromaticContact CD1-CE2 3.67Å; W1112-W1120 AromaticContact CD1-CE3 3.97Å; W1112-W1120 AromaticContact CD1-CH2 3.85Å; W1112-W1120 AromaticContact CD1-CZ2 3.69Å; W1112-W1120 AromaticContact CD1-CZ3 3.97Å; W1112-W1120 HydrophobicContact CG-CZ2 4.5Å; W1112-W1120 PolarHBondContact O-NE1 2.88Å; P1117-W1120 PolarHBondContact O-N 3.48Å; G1118-W1120 VanDerWaalsContact C-N 3.27Å; G1118-W1120 PolarHBondContact O-N 2.99Å; W1120-V1124 HydrophobicContact CB-CB 3.85Å; W1120-V1124 HydrophobicContact CB-CG1 3.7Å; W1120-V1124 HydrophobicContact CD2-CG1 4.48Å; W1120-V1124 HydrophobicContact CG-CB 4.42Å; W1120-V1124 HydrophobicContact CG-CG1 3.72Å; W1120-R1125 HydrophobicContact CB-CB 4.25Å; W1120-R1125 WeakPolarHBondContact O-CB 3.32Å
1121	K	88.9	Confident	90.1	Very high	176 Å²	176	61.9 Å²	61.9	77%	0.765	32%	0.321	S	S	*	.			trans	-61.7	151.4	170.6	-66.1	-174.3	178.8	-178.2	0	110.2	F1123 V1124 R1125	K1121-F1123 PolarHBondContact O-N 2.83Å; K1121-V1124 PolarHBondContact O-N 3.02Å; K1121-R1125 PolarHBondContact O-N 2.82Å
1122	Q	86.4	Confident	90.5	Very high	132 Å²	132	61.6 Å²	61.6	62%	0.617	31%	0.31	S	S	*	.	H	α-helix	trans	-42.7	-41.9	-173	-169.9	-179.4	21.4	0	0	115	V1124 N1126	Q1122-V1124 PolarHBondContact O-N 2.99Å; Q1122-N1126 WeakPolarHBondContact O-CB 3.39Å; Q1122-N1126 PolarHBondContact O-N 2.81Å; Q1122-N1126 VanDerWaalsContact O-N 3.1Å; Q1122-N1126 PolarHBondContact O-OD1 3.24Å; Q1122-N1126 VanDerWaalsContact O-OD1 3.05Å
1123	F	89.3	Confident	90.4	Very high	50 Å²	50	66.9 Å²	66.9	22%	0.219	34%	0.337	C	S	.	.	H	α-helix	trans	-58.7	-51.5	178.2	-179.3	-83.4	0	0	0	111.7	R1073 L1076 L1077 K1121 R1127	R1073-F1123 HydrophobicContact CB-CD1 4.41Å; R1073-F1123 HydrophobicContact CB-CE1 3.68Å; R1073-F1123 HydrophobicContact CB-CZ 4.2Å; R1073-F1123 HydrophobicContact CG-CD1 3.81Å; R1073-F1123 HydrophobicContact CG-CE1 3.58Å; R1073-F1123 HydrophobicContact CG-CZ 4.43Å; L1076-F1123 HydrophobicContact CD2-CE1 4.34Å; L1077-F1123 HydrophobicContact CD1-CZ 4.36Å; L1077-F1123 HydrophobicContact CD2-CZ 4.24Å; L1077-F1123 HydrophobicContact CG-CZ 4.28Å; K1121-F1123 PolarHBondContact O-N 2.83Å; F1123-R1127 VanDerWaalsContact CA-NH1 3.34Å; F1123-R1127 WeakPolarHBondContact O-CD 3.34Å; F1123-R1127 PolarHBondContact O-NH1 3.02Å
1124	V	92.5	Very high	90.5	Very high	10 Å²	10	68.8 Å²	68.8	6%	0.061	35%	0.347	C	S	.	.	H	α-helix	trans	-73.9	-46.9	-177	174	0	0	0	0	109.7	L1076 W1112 W1120 K1121 Q1122 N1126 R1127 V1128	L1076-V1124 HydrophobicContact CD2-CB 4.14Å; L1076-V1124 HydrophobicContact CD2-CG1 3.97Å; L1076-V1124 HydrophobicContact CD2-CG2 4.05Å; W1112-V1124 HydrophobicContact CB-CG1 4Å; W1112-V1124 HydrophobicContact CD2-CG1 3.66Å; W1112-V1124 HydrophobicContact CD2-CG2 4.34Å; W1112-V1124 HydrophobicContact CE3-CG1 3.89Å; W1112-V1124 HydrophobicContact CE3-CG2 4.2Å; W1112-V1124 HydrophobicContact CG-CG1 3.73Å; W1112-V1124 HydrophobicContact CH2-CG2 4.07Å; W1112-V1124 HydrophobicContact CZ2-CG2 4.23Å; W1112-V1124 HydrophobicContact CZ3-CG2 4.06Å; W1120-V1124 HydrophobicContact CB-CB 3.85Å; W1120-V1124 HydrophobicContact CB-CG1 3.7Å; W1120-V1124 HydrophobicContact CD2-CG1 4.48Å; W1120-V1124 HydrophobicContact CG-CB 4.42Å; W1120-V1124 HydrophobicContact CG-CG1 3.72Å; K1121-V1124 PolarHBondContact O-N 3.02Å; Q1122-V1124 PolarHBondContact O-N 2.99Å; V1124-N1126 PolarHBondContact O-N 2.87Å; V1124-R1127 PolarHBondContact O-N 3.11Å; V1124-R1127 VanDerWaalsContact O-N 3.14Å; V1124-V1128 HydrophobicContact CG1-CG2 3.87Å; V1124-V1128 WeakPolarHBondContact O-CG2 3.33Å; V1124-V1128 PolarHBondContact O-N 3.23Å
1125	R	91.2	Very high	90.7	Very high	88 Å²	88	62.8 Å²	62.8	33%	0.332	32%	0.322	S	S	.	.	H	α-helix	trans	-49.1	-56.1	179.1	176.5	176.3	73.2	-166.7	6.1	112.1	P1117 W1120 K1121 R1127 V1128 E1129	P1117-R1125 HydrophobicContact CB-CG 4.07Å; P1117-R1125 WeakPolarHBondContact O-CB 3.45Å; P1117-R1125 VanDerWaalsContact O-CG 3.22Å; P1117-R1125 WeakPolarHBondContact O-CG 3.34Å; W1120-R1125 HydrophobicContact CB-CB 4.25Å; W1120-R1125 WeakPolarHBondContact O-CB 3.32Å; K1121-R1125 PolarHBondContact O-N 2.82Å; R1125-R1127 VanDerWaalsContact C-N 3.26Å; R1125-R1127 PolarHBondContact O-N 3.26Å; R1125-V1128 PolarHBondContact O-N 3.36Å; R1125-V1128 VanDerWaalsContact O-N 3.14Å; R1125-E1129 WeakPolarHBondContact CD-OE1 3.43Å; R1125-E1129 HydrophobicContact CG-CG 4.21Å; R1125-E1129 WeakPolarHBondContact CG-OE1 3.24Å; R1125-E1129 WeakPolarHBondContact O-CB 3.35Å; R1125-E1129 WeakPolarHBondContact O-CG 3.44Å; R1125-E1129 PolarHBondContact O-N 3.39Å
1126	N	88.8	Confident	91.1	Very high	65 Å²	65	67.6 Å²	67.6	35%	0.348	34%	0.338	S	S	.	.	H	α-helix	trans	-60.7	-35	-175.2	-66	17.5	0	0	0	112.8	Q1122 V1124 E1130	Q1122-N1126 WeakPolarHBondContact O-CB 3.39Å; Q1122-N1126 PolarHBondContact O-N 2.81Å; Q1122-N1126 VanDerWaalsContact O-N 3.1Å; Q1122-N1126 PolarHBondContact O-OD1 3.24Å; Q1122-N1126 VanDerWaalsContact O-OD1 3.05Å; V1124-N1126 PolarHBondContact O-N 2.87Å; N1126-E1130 PolarHBondContact O-N 2.8Å
1127	R	93.7	Very high	91.3	Very high	73 Å²	73	66.6 Å²	66.6	28%	0.275	33%	0.327	S	S	.	.	H	α-helix	trans	-79.1	-34.8	178.6	-77	88	-178.4	171.9	0.7	112	L1076 L1080 F1123 V1124 R1125 E1130 I1131	L1076-R1127 HydrophobicContact CD2-CB 4.11Å; L1076-R1127 HydrophobicContact CG-CB 4.18Å; L1080-R1127 HydrophobicContact CD2-CB 4.31Å; L1080-R1127 HydrophobicContact CD2-CG 3.62Å; F1123-R1127 VanDerWaalsContact CA-NH1 3.34Å; F1123-R1127 WeakPolarHBondContact O-CD 3.34Å; F1123-R1127 PolarHBondContact O-NH1 3.02Å; V1124-R1127 PolarHBondContact O-N 3.11Å; V1124-R1127 VanDerWaalsContact O-N 3.14Å; R1125-R1127 VanDerWaalsContact C-N 3.26Å; R1125-R1127 PolarHBondContact O-N 3.26Å; R1127-E1130 PolarHBondContact O-N 3.37Å; R1127-I1131 WeakPolarHBondContact O-CB 3.47Å; R1127-I1131 WeakPolarHBondContact O-CG1 3.23Å; R1127-I1131 PolarHBondContact O-N 3.27Å
1128	V	95.7	Very high	91.7	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-67.7	-42	174.2	176.5	0	0	0	0	110.4	L1076 W1112 P1117 V1124 R1125 E1130 I1131 H1132	L1076-V1128 HydrophobicContact CD1-CG2 4.18Å; W1112-V1128 HydrophobicContact CB-CG2 4.1Å; P1117-V1128 HydrophobicContact CB-CB 4.48Å; P1117-V1128 HydrophobicContact CB-CG1 4.27Å; P1117-V1128 HydrophobicContact CG-CG1 4.02Å; V1124-V1128 HydrophobicContact CG1-CG2 3.87Å; V1124-V1128 WeakPolarHBondContact O-CG2 3.33Å; V1124-V1128 PolarHBondContact O-N 3.23Å; R1125-V1128 PolarHBondContact O-N 3.36Å; R1125-V1128 VanDerWaalsContact O-N 3.14Å; V1128-E1130 VanDerWaalsContact C-N 3.31Å; V1128-E1130 PolarHBondContact O-N 3.47Å; V1128-I1131 PolarHBondContact O-N 2.79Å; V1128-H1132 WeakPolarHBondContact CG1-NE2 3.31Å; V1128-H1132 PolarHBondContact O-CD2 3.38Å; V1128-H1132 VanDerWaalsContact O-CG 3.29Å; V1128-H1132 PolarHBondContact O-N 2.75Å
1129	E	93.9	Very high	92.2	Very high	78 Å²	78	73.4 Å²	73.4	36%	0.364	34%	0.343	S	S	.	.	H	α-helix	trans	-55.9	-45.8	173.2	-74.6	170.3	174.6	0	0	111.3	P1117 R1125 H1132 Q1133	P1117-E1129 HydrophobicContact CB-CG 3.45Å; P1117-E1129 VanDerWaalsContact CB-CG 3.45Å; P1117-E1129 HydrophobicContact CG-CG 3.84Å; R1125-E1129 WeakPolarHBondContact CD-OE1 3.43Å; R1125-E1129 HydrophobicContact CG-CG 4.21Å; R1125-E1129 WeakPolarHBondContact CG-OE1 3.24Å; R1125-E1129 WeakPolarHBondContact O-CB 3.35Å; R1125-E1129 WeakPolarHBondContact O-CG 3.44Å; R1125-E1129 PolarHBondContact O-N 3.39Å; E1129-H1132 PolarHBondContact O-N 3.26Å; E1129-Q1133 WeakPolarHBondContact O-CG 3.48Å; E1129-Q1133 PolarHBondContact O-N 2.9Å
1130	E	94.2	Very high	92.6	Very high	40 Å²	40	67.8 Å²	67.8	19%	0.187	31%	0.313	C	S	.	.	H	α-helix	trans	-67.2	-40.6	176.8	-166.8	-176.8	164	0	0	112.3	L1080 R1084 N1126 R1127 V1128 H1132 Q1133 L1134	L1080-E1130 HydrophobicContact CD1-CB 4.06Å; L1080-E1130 HydrophobicContact CD1-CG 3.95Å; R1084-E1130 IonicContact CZ-OE1 3.73Å; R1084-E1130 IonicContact CZ-OE2 3.69Å; R1084-E1130 IonicContact NE-OE1 3.04Å; R1084-E1130 PolarHBondContact NE-OE1 3.2Å; R1084-E1130 IonicContact NE-OE2 3.88Å; R1084-E1130 IonicContact NH2-OE1 2.83Å; R1084-E1130 PolarHBondContact NH2-OE1 3.41Å; R1084-E1130 IonicContact NH2-OE2 3.81Å; R1084-E1130 PolarHBondContact NH2-OE2 3.3Å; N1126-E1130 PolarHBondContact O-N 2.8Å; R1127-E1130 PolarHBondContact O-N 3.37Å; V1128-E1130 VanDerWaalsContact C-N 3.31Å; V1128-E1130 PolarHBondContact O-N 3.47Å; E1130-H1132 VanDerWaalsContact C-N 3.26Å; E1130-H1132 PolarHBondContact O-N 2.83Å; E1130-Q1133 WeakPolarHBondContact O-CB 3.33Å; E1130-Q1133 PolarHBondContact O-N 3.11Å; E1130-Q1133 VanDerWaalsContact O-N 3.15Å; E1130-L1134 HydrophobicContact CG-CD1 4.15Å; E1130-L1134 WeakPolarHBondContact O-CG 3.31Å; E1130-L1134 PolarHBondContact O-N 3.04Å; E1130-L1134 VanDerWaalsContact O-N 3.14Å
1131	I	96.6	Very high	92.6	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.5	-39.5	173.6	-72.4	165.8	0	0	0	110.5	L1076 L1080 A1083 I1113 R1127 V1128 Q1133 L1134 S1135 W1140	L1076-I1131 HydrophobicContact CD1-CD1 3.88Å; L1080-I1131 HydrophobicContact CB-CD1 4.28Å; L1080-I1131 HydrophobicContact CB-CG1 4.32Å; L1080-I1131 HydrophobicContact CD1-CG1 3.96Å; A1083-I1131 HydrophobicContact CB-CG1 4.25Å; I1113-I1131 HydrophobicContact CD1-CD1 4.1Å; I1113-I1131 HydrophobicContact CD1-CG2 4.34Å; I1113-I1131 HydrophobicContact CG1-CD1 4.17Å; I1113-I1131 HydrophobicContact CG1-CG2 4.3Å; I1113-I1131 HydrophobicContact CG2-CG2 4.14Å; R1127-I1131 WeakPolarHBondContact O-CB 3.47Å; R1127-I1131 WeakPolarHBondContact O-CG1 3.23Å; R1127-I1131 PolarHBondContact O-N 3.27Å; V1128-I1131 PolarHBondContact O-N 2.79Å; I1131-Q1133 VanDerWaalsContact C-N 3.35Å; I1131-L1134 PolarHBondContact O-N 3.16Å; I1131-S1135 WeakPolarHBondContact CG2-OG 3.43Å; I1131-S1135 WeakPolarHBondContact O-CA 3.29Å; I1131-S1135 PolarHBondContact O-N 2.94Å; I1131-S1135 VanDerWaalsContact O-O 3.06Å; I1131-S1135 PolarHBondContact O-OG 3.29Å; I1131-W1140 HydrophobicContact CG2-CZ2 3.85Å
1132	H	96.1	Very high	92.4	Very high	50 Å²	50	62.9 Å²	62.9	23%	0.231	29%	0.289	C	S	.	.	H	α-helix	trans	-67.7	-32.2	176.4	-69.4	-178.6	0	0	0	112.8	I1113 P1117 V1128 E1129 E1130 L1134 S1135	I1113-H1132 PolarHBondContact O-NE2 3.5Å; P1117-H1132 WeakPolarHBondContact CG-ND1 3.29Å; V1128-H1132 WeakPolarHBondContact CG1-NE2 3.31Å; V1128-H1132 PolarHBondContact O-CD2 3.38Å; V1128-H1132 VanDerWaalsContact O-CG 3.29Å; V1128-H1132 PolarHBondContact O-N 2.75Å; E1129-H1132 PolarHBondContact O-N 3.26Å; E1130-H1132 VanDerWaalsContact C-N 3.26Å; E1130-H1132 PolarHBondContact O-N 2.83Å; H1132-L1134 VanDerWaalsContact C-N 3.28Å; H1132-L1134 PolarHBondContact O-N 3.41Å; H1132-S1135 CarbonylContact C-O 3.58Å; H1132-S1135 WeakPolarHBondContact CA-O 3.09Å
1133	Q	94.5	Very high	91.7	Very high	158 Å²	158	58 Å²	58	74%	0.738	27%	0.269	S	S	*	.	H	α-helix	trans	-69.2	-27.2	172.9	-70.3	170.6	4.1	0	0	112.7	E1129 E1130 I1131	E1129-Q1133 WeakPolarHBondContact O-CG 3.48Å; E1129-Q1133 PolarHBondContact O-N 2.9Å; E1130-Q1133 WeakPolarHBondContact O-CB 3.33Å; E1130-Q1133 PolarHBondContact O-N 3.11Å; E1130-Q1133 VanDerWaalsContact O-N 3.15Å; I1131-Q1133 VanDerWaalsContact C-N 3.35Å
1134	L	95.3	Very high	90.8	Very high	39 Å²	39	57.5 Å²	57.5	20%	0.204	27%	0.271	C	S	.	.	H	α-helix	trans	-101.4	-18.8	-175.5	-63.2	171.7	0	0	0	113.6	A1083 R1084 E1130 I1131 H1132	A1083-L1134 HydrophobicContact CB-CB 4Å; A1083-L1134 HydrophobicContact CB-CD1 4.05Å; R1084-L1134 HydrophobicContact CB-CD1 4.44Å; R1084-L1134 HydrophobicContact CG-CD1 3.67Å; E1130-L1134 HydrophobicContact CG-CD1 4.15Å; E1130-L1134 WeakPolarHBondContact O-CG 3.31Å; E1130-L1134 PolarHBondContact O-N 3.04Å; E1130-L1134 VanDerWaalsContact O-N 3.14Å; I1131-L1134 PolarHBondContact O-N 3.16Å; H1132-L1134 VanDerWaalsContact C-N 3.28Å; H1132-L1134 PolarHBondContact O-N 3.41Å
1135	S	95.6	Very high	89.9	Confident	6 Å²	6	59.6 Å²	59.6	4%	0.042	28%	0.282	C	S	.	.	S	Bend	trans	-159.4	151.6	-173.6	63.7	0	0	0	0	112.5	Y1102 I1131 H1132 W1140	Y1102-S1135 VanDerWaalsContact CE2-CB 3.45Å; I1131-S1135 WeakPolarHBondContact CG2-OG 3.43Å; I1131-S1135 WeakPolarHBondContact O-CA 3.29Å; I1131-S1135 PolarHBondContact O-N 2.94Å; I1131-S1135 VanDerWaalsContact O-O 3.06Å; I1131-S1135 PolarHBondContact O-OG 3.29Å; H1132-S1135 CarbonylContact C-O 3.58Å; H1132-S1135 WeakPolarHBondContact CA-O 3.09Å; S1135-W1140 PolarHBondContact OG-NE1 3.28Å
1136	E	93.1	Very high	89.1	Confident	123 Å²	123	59.8 Å²	59.8	58%	0.575	28%	0.283	S	S	*	.			trans	-83.6	138.1	176.4	-65.5	-61.1	154.3	0	0	111.1	M1138 Q1139	E1136-M1138 PolarHBondContact O-N 2.83Å; E1136-Q1139 HydrophobicContact CB-CG 4.05Å; E1136-Q1139 WeakPolarHBondContact O-CB 3.28Å; E1136-Q1139 PolarHBondContact O-N 3.08Å
1137	P	91.6	Very high	88.5	Confident	34 Å²	34	60.7 Å²	60.7	22%	0.221	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-53	-32.4	178.9	-28.2	34.7	0	0	0	114.5	Q1139 W1140	P1137-Q1139 VanDerWaalsContact C-N 3.26Å; P1137-Q1139 PolarHBondContact O-N 3.15Å; P1137-W1140 PolarHBondContact O-N 2.88Å
1138	M	89.2	Confident	87.9	Confident	175 Å²	175	58.4 Å²	58.4	86%	0.862	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-71.3	-17.8	179.4	-61.9	172.3	86.9	0	0	113.4	E1136 W1140	E1136-M1138 PolarHBondContact O-N 2.83Å; M1138-W1140 VanDerWaalsContact C-N 3.27Å
1139	Q	94.9	Very high	87.4	Confident	50 Å²	50	58.5 Å²	58.5	23%	0.234	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-76.1	-17.6	174.9	-64.5	173.8	-39.3	0	0	112.2	Y1102 E1136 P1137	Y1102-Q1139 HydrophobicContact CD2-CB 3.78Å; Y1102-Q1139 HydrophobicContact CE2-CB 4.14Å; Y1102-Q1139 PolarHBondContact N-O 3.29Å; E1136-Q1139 HydrophobicContact CB-CG 4.05Å; E1136-Q1139 WeakPolarHBondContact O-CB 3.28Å; E1136-Q1139 PolarHBondContact O-N 3.08Å; P1137-Q1139 VanDerWaalsContact C-N 3.26Å; P1137-Q1139 PolarHBondContact O-N 3.15Å
1140	W	94.8	Very high	86.9	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.5	-179.3	-69.8	86	0	0	0	112.2	T1079 A1083 Y1102 L1110 I1113 I1131 S1135 P1137 M1138	T1079-W1140 HydrophobicContact CG2-CE3 4.32Å; T1079-W1140 HydrophobicContact CG2-CH2 4.08Å; T1079-W1140 HydrophobicContact CG2-CZ3 3.53Å; T1079-W1140 VanDerWaalsContact O-CH2 3.32Å; T1079-W1140 WeakPolarHBondContact O-CH2 3.39Å; A1083-W1140 HydrophobicContact CB-CZ2 4.2Å; Y1102-W1140 VanDerWaalsContact CB-CD2 3.43Å; Y1102-W1140 AromaticContact CD1-CH2 3.76Å; Y1102-W1140 HydrophobicContact CD1-CH2 3.76Å; Y1102-W1140 AromaticContact CD1-CZ2 3.69Å; Y1102-W1140 HydrophobicContact CD1-CZ2 3.69Å; Y1102-W1140 HydrophobicContact CD1-CZ3 4.38Å; Y1102-W1140 HydrophobicContact CD2-CD2 4.48Å; Y1102-W1140 HydrophobicContact CD2-CZ2 4.33Å; Y1102-W1140 HydrophobicContact CE1-CZ2 4.32Å; Y1102-W1140 HydrophobicContact CG-CD2 4.04Å; Y1102-W1140 AromaticContact CG-CE2 3.73Å; Y1102-W1140 HydrophobicContact CG-CE3 4.3Å; Y1102-W1140 AromaticContact CG-CH2 3.96Å; Y1102-W1140 HydrophobicContact CG-CH2 3.96Å; Y1102-W1140 AromaticContact CG-CZ2 3.71Å; Y1102-W1140 HydrophobicContact CG-CZ2 3.71Å; Y1102-W1140 HydrophobicContact CG-CZ3 4.26Å; L1110-W1140 HydrophobicContact CD2-CB 3.82Å; L1110-W1140 HydrophobicContact CD2-CE3 4.34Å; I1113-W1140 HydrophobicContact CD1-CD2 3.82Å; I1113-W1140 HydrophobicContact CD1-CE3 3.88Å; I1113-W1140 HydrophobicContact CD1-CG 4.32Å; I1113-W1140 HydrophobicContact CD1-CZ2 4.46Å; I1113-W1140 HydrophobicContact CD1-CZ3 4.26Å; I1113-W1140 HydrophobicContact CG2-CB 4.25Å; I1113-W1140 HydrophobicContact CG2-CD2 4.28Å; I1113-W1140 HydrophobicContact CG2-CG 3.76Å; I1131-W1140 HydrophobicContact CG2-CZ2 3.85Å; S1135-W1140 PolarHBondContact OG-NE1 3.28Å; P1137-W1140 PolarHBondContact O-N 2.88Å; M1138-W1140 VanDerWaalsContact C-N 3.27Å
1141	R	88.5	Confident	86.5	Confident	112 Å²	112	61.9 Å²	61.9	42%	0.423	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153.1	-173.4	-62.1	-177.4	178.3	-160	-3.2	111.3	F1101 Y1102 W1103 S1104	F1101-R1141 VanDerWaalsContact CE1-CZ 3.44Å; F1101-R1141 VanDerWaalsContact CE1-NH2 3.27Å; Y1102-R1141 PolarHBondContact O-N 3.44Å; W1103-R1141 WeakPolarHBondContact CA-O 3.42Å; W1103-R1141 HydrophobicContact CD2-CB 4.11Å; W1103-R1141 HydrophobicContact CE3-CB 3.59Å; W1103-R1141 HydrophobicContact CH2-CB 3.99Å; W1103-R1141 HydrophobicContact CH2-CG 4.43Å; W1103-R1141 HydrophobicContact CZ2-CB 4.45Å; W1103-R1141 HydrophobicContact CZ3-CB 3.53Å; W1103-R1141 HydrophobicContact CZ3-CG 4.42Å; S1104-R1141 PolarHBondContact N-O 3Å
1142	Y	84.4	Confident	86.1	Confident	35 Å²	35	65.3 Å²	65.3	14%	0.137	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	136.9	174.8	-173.5	-104.4	0	0	0	111.1	W1103 S1104 D1105 E1107 L1110 P1144 R1146 I1147	W1103-Y1142 WeakPolarHBondContact CZ3-O 3.24Å; S1104-Y1142 WeakPolarHBondContact O-CA 3.45Å; D1105-Y1142 VanDerWaalsContact O-CE2 3.22Å; D1105-Y1142 WeakPolarHBondContact O-CE2 3.47Å; E1107-Y1142 HydrophobicContact CG-CD2 3.81Å; E1107-Y1142 HydrophobicContact CG-CE2 3.35Å; E1107-Y1142 PolarHBondContact OE1-OH 2.79Å; L1110-Y1142 HydrophobicContact CD1-CD2 3.74Å; L1110-Y1142 HydrophobicContact CD1-CG 4.32Å; Y1142-P1144 WeakPolarHBondContact O-CD 3.31Å; Y1142-R1146 HydrophobicContact CE1-CB 4.24Å; Y1142-R1146 VanDerWaalsContact OH-CB 3.23Å; Y1142-R1146 WeakPolarHBondContact OH-CB 3.06Å; Y1142-R1146 VanDerWaalsContact OH-CD 3.24Å; Y1142-R1146 WeakPolarHBondContact OH-CD 3.47Å; Y1142-R1146 VanDerWaalsContact OH-CG 3.31Å; Y1142-R1146 WeakPolarHBondContact OH-CG 3.36Å; Y1142-I1147 HydrophobicContact CD1-CD1 3.57Å; Y1142-I1147 HydrophobicContact CD1-CG1 3.96Å; Y1142-I1147 HydrophobicContact CE1-CD1 4Å; Y1142-I1147 HydrophobicContact CE1-CG1 3.83Å
1143	C	72.6	Confident	85.9	Confident	29 Å²	29	64.5 Å²	64.5	20%	0.196	32%	0.319	C	S	.	.			trans	-74.1	114.7	171.9	-169.1	0	0	0	0	110.4	S1104 D1105 I1145	S1104-C1143 PolarHBondContact O-N 2.87Å; D1105-C1143 HydrophobicContact CB-CB 4.16Å; C1143-I1145 PolarHBondContact O-N 3.35Å
1144	P	69.2	Low	85.6	Confident	40 Å²	40	64 Å²	64	26%	0.26	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	2.3	-160.9	28.2	-35.4	0	0	0	116.2	Y1142 R1146 I1147 T1148 W1182	Y1142-P1144 WeakPolarHBondContact O-CD 3.31Å; P1144-R1146 VanDerWaalsContact C-N 3.31Å; P1144-R1146 PolarHBondContact O-N 3.16Å; P1144-I1147 WeakPolarHBondContact O-CB 3.25Å; P1144-I1147 PolarHBondContact O-N 3.08Å; P1144-T1148 PolarHBondContact O-N 3.46Å; P1144-T1148 PolarHBondContact O-OG1 2.8Å; P1144-W1182 HydrophobicContact CB-CZ2 4.06Å; P1144-W1182 HydrophobicContact CG-CH2 4.33Å; P1144-W1182 HydrophobicContact CG-CZ2 3.63Å
1145	I	73.9	Confident	85.4	Confident	54 Å²	54	63.9 Å²	63.9	28%	0.277	32%	0.319	S	S	.	.	H	α-helix	trans	-53.9	-45.9	-176.3	-64.9	170	0	0	0	111.4	C1143 T1148 A1149 L1175 S1178	C1143-I1145 PolarHBondContact O-N 3.35Å; I1145-T1148 PolarHBondContact O-N 3.24Å; I1145-A1149 WeakPolarHBondContact O-CB 3.22Å; I1145-A1149 PolarHBondContact O-N 3.47Å; I1145-L1175 HydrophobicContact CG2-CD2 4.3Å; I1145-S1178 WeakPolarHBondContact O-CB 3.12Å; I1145-S1178 PolarHBondContact O-OG 3.15Å
1146	R	74.5	Confident	85.1	Confident	93 Å²	93	66.6 Å²	66.6	35%	0.351	34%	0.338	S	S	.	.	H	α-helix	trans	-67	-39.6	177.7	-57.2	-160	169.4	86.7	2.4	112.1	D1105 Y1142 P1144 A1149 M1150 L1170 L1175	D1105-R1146 PolarHBondContact O-NH1 3.17Å; D1105-R1146 IonicContact OD2-CZ 2.73Å; D1105-R1146 IonicContact OD2-NH1 3.44Å; D1105-R1146 PolarHBondContact OD2-NH1 2.83Å; D1105-R1146 IonicContact OD2-NH2 3.57Å; D1105-R1146 PolarHBondContact OD2-NH2 2.81Å; Y1142-R1146 HydrophobicContact CE1-CB 4.24Å; Y1142-R1146 VanDerWaalsContact OH-CB 3.23Å; Y1142-R1146 WeakPolarHBondContact OH-CB 3.06Å; Y1142-R1146 VanDerWaalsContact OH-CD 3.24Å; Y1142-R1146 WeakPolarHBondContact OH-CD 3.47Å; Y1142-R1146 VanDerWaalsContact OH-CG 3.31Å; Y1142-R1146 WeakPolarHBondContact OH-CG 3.36Å; P1144-R1146 VanDerWaalsContact C-N 3.31Å; P1144-R1146 PolarHBondContact O-N 3.16Å; R1146-A1149 WeakPolarHBondContact O-CB 3.21Å; R1146-A1149 PolarHBondContact O-N 3.46Å; R1146-M1150 VanDerWaalsContact O-CG 3.32Å; R1146-M1150 WeakPolarHBondContact O-CG 3.25Å; R1146-M1150 PolarHBondContact O-N 3.43Å; R1146-L1170 HydrophobicContact CB-CD1 3.85Å; R1146-L1170 HydrophobicContact CG-CD1 4.35Å; R1146-L1170 WeakPolarHBondContact O-CD1 3.33Å; R1146-L1175 HydrophobicContact CB-CD2 4.35Å; R1146-L1175 HydrophobicContact CG-CD2 3.8Å
1147	I	76.3	Confident	85	Confident	83 Å²	83	61.8 Å²	61.8	43%	0.426	32%	0.316	S	S	.	.	H	α-helix	trans	-62	-48.1	177.3	-65.9	172.7	0	0	0	110.1	Y1142 P1144 A1149 M1150 C1151	Y1142-I1147 HydrophobicContact CD1-CD1 3.57Å; Y1142-I1147 HydrophobicContact CD1-CG1 3.96Å; Y1142-I1147 HydrophobicContact CE1-CD1 4Å; Y1142-I1147 HydrophobicContact CE1-CG1 3.83Å; P1144-I1147 WeakPolarHBondContact O-CB 3.25Å; P1144-I1147 PolarHBondContact O-N 3.08Å; I1147-A1149 VanDerWaalsContact C-N 3.3Å; I1147-A1149 PolarHBondContact O-N 3.4Å; I1147-M1150 CarbonylContact O-C 3.58Å; I1147-M1150 WeakPolarHBondContact O-CB 3.43Å; I1147-M1150 PolarHBondContact O-N 2.74Å; I1147-M1150 VanDerWaalsContact O-N 3.11Å; I1147-C1151 PolarHBondContact O-N 2.75Å; I1147-C1151 PolarHBondContact O-SG 3.04Å
1148	T	81.6	Confident	85	Confident	26 Å²	26	63.5 Å²	63.5	16%	0.16	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-41.2	177.1	-60	0	0	0	0	110.8	P1144 I1145 M1150 C1151 L1152 S1178 W1182	P1144-T1148 PolarHBondContact O-N 3.46Å; P1144-T1148 PolarHBondContact O-OG1 2.8Å; I1145-T1148 PolarHBondContact O-N 3.24Å; T1148-M1150 PolarHBondContact O-N 3.07Å; T1148-C1151 PolarHBondContact O-N 2.85Å; T1148-L1152 HydrophobicContact CG2-CD1 4.19Å; T1148-L1152 HydrophobicContact CG2-CG 4.46Å; T1148-L1152 WeakPolarHBondContact O-CB 3.34Å; T1148-L1152 VanDerWaalsContact O-CG 3.24Å; T1148-L1152 WeakPolarHBondContact O-CG 3.38Å; T1148-L1152 PolarHBondContact O-N 2.89Å; T1148-S1178 WeakPolarHBondContact CB-OG 3.47Å; T1148-S1178 VanDerWaalsContact CG2-OG 3.31Å; T1148-S1178 WeakPolarHBondContact CG2-OG 3.43Å; T1148-W1182 PolarHBondContact OG1-NE1 2.71Å
1149	A	83.8	Confident	85.2	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-41.1	173.4	0	0	0	0	0	112.3	I1145 R1146 I1147 L1152 R1153 L1170 E1174 L1175	I1145-A1149 WeakPolarHBondContact O-CB 3.22Å; I1145-A1149 PolarHBondContact O-N 3.47Å; R1146-A1149 WeakPolarHBondContact O-CB 3.21Å; R1146-A1149 PolarHBondContact O-N 3.46Å; I1147-A1149 VanDerWaalsContact C-N 3.3Å; I1147-A1149 PolarHBondContact O-N 3.4Å; A1149-L1152 PolarHBondContact O-N 2.77Å; A1149-R1153 WeakPolarHBondContact O-CB 3.24Å; A1149-R1153 PolarHBondContact O-N 3.39Å; A1149-L1170 HydrophobicContact CB-CD1 3.75Å; A1149-L1170 HydrophobicContact CB-CD2 3.88Å; A1149-L1170 HydrophobicContact CB-CG 4.41Å; A1149-E1174 HydrophobicContact CB-CB 4.38Å; A1149-L1175 HydrophobicContact CB-CD2 4.17Å
1150	M	83.4	Confident	85	Confident	113 Å²	113	65 Å²	65	56%	0.557	33%	0.328	S	S	*	.	H	α-helix	trans	-64.4	-42.4	174.1	-68.8	173.2	76.2	0	0	112.1	R1146 I1147 T1148 L1152 R1153 F1154 L1170	R1146-M1150 VanDerWaalsContact O-CG 3.32Å; R1146-M1150 WeakPolarHBondContact O-CG 3.25Å; R1146-M1150 PolarHBondContact O-N 3.43Å; I1147-M1150 CarbonylContact O-C 3.58Å; I1147-M1150 WeakPolarHBondContact O-CB 3.43Å; I1147-M1150 PolarHBondContact O-N 2.74Å; I1147-M1150 VanDerWaalsContact O-N 3.11Å; T1148-M1150 PolarHBondContact O-N 3.07Å; M1150-L1152 VanDerWaalsContact C-N 3.34Å; M1150-L1152 PolarHBondContact O-N 2.8Å; M1150-R1153 PolarHBondContact O-N 2.79Å; M1150-F1154 WeakPolarHBondContact O-CB 3.29Å; M1150-F1154 PolarHBondContact O-N 3.25Å; M1150-L1170 HydrophobicContact CG-CD1 4Å; M1150-L1170 HydrophobicContact CG-CD2 4.12Å; M1150-L1170 HydrophobicContact CG-CG 4.29Å
1151	C	86.6	Confident	84.5	Confident	76 Å²	76	68.8 Å²	68.8	51%	0.514	35%	0.353	S	S	.	.	H	α-helix	trans	-61.8	-42.7	175.1	-68.3	0	0	0	0	111.3	I1147 T1148 F1154 A1155	I1147-C1151 PolarHBondContact O-N 2.75Å; I1147-C1151 PolarHBondContact O-SG 3.04Å; T1148-C1151 PolarHBondContact O-N 2.85Å; C1151-F1154 PolarHBondContact O-N 3.43Å; C1151-A1155 WeakPolarHBondContact O-CB 3.29Å; C1151-A1155 PolarHBondContact O-N 3.49Å
1152	L	87.9	Confident	84.3	Confident	73 Å²	73	69 Å²	69	38%	0.382	36%	0.362	S	S	.	.	H	α-helix	trans	-64.8	-43.3	175.7	-69.7	173.2	0	0	0	111.6	T1148 A1149 M1150 A1155 S1156	T1148-L1152 HydrophobicContact CG2-CD1 4.19Å; T1148-L1152 HydrophobicContact CG2-CG 4.46Å; T1148-L1152 WeakPolarHBondContact O-CB 3.34Å; T1148-L1152 VanDerWaalsContact O-CG 3.24Å; T1148-L1152 WeakPolarHBondContact O-CG 3.38Å; T1148-L1152 PolarHBondContact O-N 2.89Å; A1149-L1152 PolarHBondContact O-N 2.77Å; M1150-L1152 VanDerWaalsContact C-N 3.34Å; M1150-L1152 PolarHBondContact O-N 2.8Å; L1152-A1155 PolarHBondContact O-N 2.86Å; L1152-S1156 WeakPolarHBondContact O-CB 3.25Å; L1152-S1156 PolarHBondContact O-N 2.98Å
1153	R	91.3	Very high	84.4	Confident	32 Å²	32	75.9 Å²	75.9	12%	0.121	40%	0.395	C	S	.	.	H	α-helix	trans	-61.3	-45.8	173.4	-178.4	-173	-76.9	-175.6	-8	111.2	A1149 M1150 A1155 S1156 N1157 Q1166 G1168 P1169 E1174	A1149-R1153 WeakPolarHBondContact O-CB 3.24Å; A1149-R1153 PolarHBondContact O-N 3.39Å; M1150-R1153 PolarHBondContact O-N 2.79Å; R1153-A1155 VanDerWaalsContact C-N 3.34Å; R1153-A1155 PolarHBondContact O-N 3.4Å; R1153-S1156 PolarHBondContact O-N 2.86Å; R1153-N1157 VanDerWaalsContact O-CB 3.3Å; R1153-N1157 WeakPolarHBondContact O-CB 3.39Å; R1153-N1157 PolarHBondContact O-N 3.16Å; R1153-Q1166 HydrophobicContact CG-CB 4.49Å; R1153-G1168 PolarHBondContact NH1-O 2.97Å; R1153-P1169 PolarHBondContact NH2-O 3.46Å; R1153-E1174 IonicContact CZ-OE1 3.65Å; R1153-E1174 VanDerWaalsContact CZ-OE1 3.28Å; R1153-E1174 IonicContact CZ-OE2 3.18Å; R1153-E1174 IonicContact NE-OE1 3.09Å; R1153-E1174 PolarHBondContact NE-OE1 3.3Å; R1153-E1174 IonicContact NE-OE2 3.51Å; R1153-E1174 VanDerWaalsContact NH2-CD 3.29Å; R1153-E1174 IonicContact NH2-OE1 3.73Å; R1153-E1174 PolarHBondContact NH2-OE1 2.99Å; R1153-E1174 IonicContact NH2-OE2 3.35Å; R1153-E1174 PolarHBondContact NH2-OE2 2.84Å
1154	F	89.7	Confident	85.1	Confident	149 Å²	149	78.3 Å²	78.3	65%	0.654	41%	0.412	S	S	*	.	H	α-helix	trans	-59.9	-46.1	178.1	175.1	-97.6	0	0	0	111	M1150 C1151 S1156 N1157 S1158	M1150-F1154 WeakPolarHBondContact O-CB 3.29Å; M1150-F1154 PolarHBondContact O-N 3.25Å; C1151-F1154 PolarHBondContact O-N 3.43Å; F1154-S1156 VanDerWaalsContact C-N 3.32Å; F1154-S1156 PolarHBondContact O-N 2.93Å; F1154-N1157 PolarHBondContact O-N 2.9Å; F1154-S1158 WeakPolarHBondContact O-CB 3.43Å; F1154-S1158 PolarHBondContact O-N 3.45Å; F1154-S1158 PolarHBondContact O-OG 2.88Å
1155	A	89.6	Confident	86	Confident	35 Å²	35	81 Å²	81	29%	0.289	42%	0.417	S	S	.	.	H	α-helix	trans	-60.9	-40.3	175.6	0	0	0	0	0	111.9	C1151 L1152 R1153 R1159	C1151-A1155 WeakPolarHBondContact O-CB 3.29Å; C1151-A1155 PolarHBondContact O-N 3.49Å; L1152-A1155 PolarHBondContact O-N 2.86Å; R1153-A1155 VanDerWaalsContact C-N 3.34Å; R1153-A1155 PolarHBondContact O-N 3.4Å; A1155-R1159 WeakPolarHBondContact O-CD 3.21Å; A1155-R1159 WeakPolarHBondContact O-CG 3.3Å; A1155-R1159 PolarHBondContact O-NE 3.09Å
1156	S	89.2	Confident	86.6	Confident	64 Å²	64	83.2 Å²	83.2	45%	0.448	43%	0.426	S	S	.	.	H	α-helix	trans	-66.9	-48	175.5	-171	0	0	0	0	112.2	L1152 R1153 F1154 S1158 R1159	L1152-S1156 WeakPolarHBondContact O-CB 3.25Å; L1152-S1156 PolarHBondContact O-N 2.98Å; R1153-S1156 PolarHBondContact O-N 2.86Å; F1154-S1156 VanDerWaalsContact C-N 3.32Å; F1154-S1156 PolarHBondContact O-N 2.93Å; S1156-S1158 VanDerWaalsContact C-N 3.25Å; S1156-S1158 PolarHBondContact O-N 3.28Å; S1156-R1159 WeakPolarHBondContact O-CB 3.33Å; S1156-R1159 PolarHBondContact O-N 3.05Å
1157	N	92.7	Very high	87	Confident	22 Å²	22	85.8 Å²	85.8	12%	0.118	44%	0.44	C	S	.	.	H	α-helix	trans	-62.6	-33	178.9	-81.2	-5.5	0	0	0	112.2	R1153 F1154 R1159 V1160 R1165 Q1166	R1153-N1157 VanDerWaalsContact O-CB 3.3Å; R1153-N1157 WeakPolarHBondContact O-CB 3.39Å; R1153-N1157 PolarHBondContact O-N 3.16Å; F1154-N1157 PolarHBondContact O-N 2.9Å; N1157-R1159 PolarHBondContact O-N 2.84Å; N1157-V1160 PolarHBondContact O-N 3.14Å; N1157-V1160 VanDerWaalsContact O-O 3.13Å; N1157-R1165 HydrophobicContact CB-CB 4.27Å; N1157-R1165 HydrophobicContact CB-CG 3.95Å; N1157-R1165 PolarHBondContact O-NE 3.14Å; N1157-R1165 WeakPolarHBondContact OD1-CA 3.5Å; N1157-Q1166 PolarHBondContact ND2-O 3.27Å; N1157-Q1166 PolarHBondContact OD1-N 2.95Å
1158	S	91.2	Very high	87.4	Confident	70 Å²	70	84.4 Å²	84.4	49%	0.49	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.3	175.8	-60.1	0	0	0	0	113	F1154 S1156	F1154-S1158 WeakPolarHBondContact O-CB 3.43Å; F1154-S1158 PolarHBondContact O-N 3.45Å; F1154-S1158 PolarHBondContact O-OG 2.88Å; S1156-S1158 VanDerWaalsContact C-N 3.25Å; S1156-S1158 PolarHBondContact O-N 3.28Å
1159	R	93.2	Very high	87.3	Confident	208 Å²	208	88.9 Å²	88.9	79%	0.785	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-2.1	-179.2	-63.6	169.4	-171	-176.8	1.7	113.6	A1155 S1156 N1157	A1155-R1159 WeakPolarHBondContact O-CD 3.21Å; A1155-R1159 WeakPolarHBondContact O-CG 3.3Å; A1155-R1159 PolarHBondContact O-NE 3.09Å; S1156-R1159 WeakPolarHBondContact O-CB 3.33Å; S1156-R1159 PolarHBondContact O-N 3.05Å; N1157-R1159 PolarHBondContact O-N 2.84Å
1160	V	91.1	Very high	87.2	Confident	47 Å²	47	90.6 Å²	90.6	29%	0.285	49%	0.485	S	S	.	.	S	Bend	trans	-128.1	151.5	-177.4	-58.7	0	0	0	0	112.5	N1157 C1164 R1165	N1157-V1160 PolarHBondContact O-N 3.14Å; N1157-V1160 VanDerWaalsContact O-O 3.13Å; V1160-C1164 HydrophobicContact CB-CB 4.07Å; V1160-C1164 HydrophobicContact CG2-CB 4.12Å; V1160-R1165 HydrophobicContact CG2-CG 3.84Å; V1160-R1165 PolarHBondContact O-NE 3.27Å
1161	P	84.7	Confident	87.2	Confident	83 Å²	83	88.2 Å²	88.2	54%	0.539	48%	0.477	S	S	.	.			trans	-57.7	154.2	174.1	-23.2	33.7	0	0	0	112.3	Q1163 C1164 R1165	P1161-Q1163 HydrophobicContact CB-CG 4.26Å; P1161-Q1163 PolarHBondContact O-N 3.45Å; P1161-Q1163 VanDerWaalsContact O-N 3.11Å; P1161-C1164 PolarHBondContact O-N 2.53Å; P1161-R1165 PolarHBondContact O-N 3.26Å
1162	L	82.5	Confident	86.8	Confident	116 Å²	116	88.5 Å²	88.5	61%	0.607	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-49.3	-43	-174.8	-174.8	70.5	0	0	0	113.4	C1164 R1165 F1167	L1162-C1164 PolarHBondContact O-N 2.67Å; L1162-R1165 WeakPolarHBondContact O-CB 3.45Å; L1162-R1165 PolarHBondContact O-N 3.48Å; L1162-F1167 HydrophobicContact CD1-CZ 4.17Å
1163	Q	87	Confident	86.6	Confident	180 Å²	180	90.6 Å²	90.6	84%	0.841	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-63.9	-20.5	179.8	59.9	-171.6	9.8	0	0	114.7	P1161	P1161-Q1163 HydrophobicContact CB-CG 4.26Å; P1161-Q1163 PolarHBondContact O-N 3.45Å; P1161-Q1163 VanDerWaalsContact O-N 3.11Å
1164	C	87.3	Confident	86.4	Confident	79 Å²	79	90 Å²	90	53%	0.534	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-101.7	-1	178.3	-58.3	0	0	0	0	113.1	V1160 P1161 L1162	V1160-C1164 HydrophobicContact CB-CB 4.07Å; V1160-C1164 HydrophobicContact CG2-CB 4.12Å; P1161-C1164 PolarHBondContact O-N 2.53Å; L1162-C1164 PolarHBondContact O-N 2.67Å
1165	R	89.4	Confident	86.1	Confident	98 Å²	98	85 Å²	85	37%	0.37	47%	0.473	S	S	.	.			trans	-74.5	143.4	-177.9	-67.9	-177.7	-175.6	174.9	-1.7	110.8	N1157 V1160 P1161 L1162 F1167	N1157-R1165 HydrophobicContact CB-CB 4.27Å; N1157-R1165 HydrophobicContact CB-CG 3.95Å; N1157-R1165 PolarHBondContact O-NE 3.14Å; N1157-R1165 WeakPolarHBondContact OD1-CA 3.5Å; V1160-R1165 HydrophobicContact CG2-CG 3.84Å; V1160-R1165 PolarHBondContact O-NE 3.27Å; P1161-R1165 PolarHBondContact O-N 3.26Å; L1162-R1165 WeakPolarHBondContact O-CB 3.45Å; L1162-R1165 PolarHBondContact O-N 3.48Å; R1165-F1167 HydrophobicContact CB-CD2 4.46Å; R1165-F1167 HydrophobicContact CB-CE2 3.65Å; R1165-F1167 HydrophobicContact CB-CZ 3.75Å; R1165-F1167 VanDerWaalsContact O-CD2 3.3Å; R1165-F1167 WeakPolarHBondContact O-CD2 3.31Å; R1165-F1167 WeakPolarHBondContact O-CE2 3.47Å
1166	Q	85.1	Confident	85.8	Confident	100 Å²	100	89.4 Å²	89.4	47%	0.467	48%	0.482	S	S	.	.			trans	-86.2	133.5	175	-65.4	-176.4	10.6	0	0	110.8	R1153 N1157	R1153-Q1166 HydrophobicContact CG-CB 4.49Å; N1157-Q1166 PolarHBondContact ND2-O 3.27Å; N1157-Q1166 PolarHBondContact OD1-N 2.95Å
1167	F	84	Confident	85.5	Confident	146 Å²	146	90.1 Å²	90.1	64%	0.64	48%	0.481	S	S	*	.			trans	-128.9	165.4	177.6	-59.3	-82	0	0	0	110.4	L1162 R1165	L1162-F1167 HydrophobicContact CD1-CZ 4.17Å; R1165-F1167 HydrophobicContact CB-CD2 4.46Å; R1165-F1167 HydrophobicContact CB-CE2 3.65Å; R1165-F1167 HydrophobicContact CB-CZ 3.75Å; R1165-F1167 VanDerWaalsContact O-CD2 3.3Å; R1165-F1167 WeakPolarHBondContact O-CD2 3.31Å; R1165-F1167 WeakPolarHBondContact O-CE2 3.47Å
1168	G	85	Confident	85.1	Confident	55 Å²	55	89.1 Å²	89.1	57%	0.567	48%	0.475	S	S	*	.	S	Bend	trans	92.9	-164.6	-179.6	0	0	0	0	0	113.9	R1153	R1153-G1168 PolarHBondContact NH1-O 2.97Å
1169	P	79	Confident	84.7	Confident	120 Å²	120	89.3 Å²	89.3	78%	0.779	47%	0.469	S	S	*	.	S	Bend	trans	-65	157.5	179.6	25.9	-32.3	0	0	0	112.2	R1153	R1153-P1169 PolarHBondContact NH2-O 3.46Å
1170	L	81.1	Confident	84.4	Confident	37 Å²	37	80.2 Å²	80.2	19%	0.194	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-63.4	135	173.8	-69.6	170	0	0	0	110.7	R1146 A1149 M1150 E1174 L1175	R1146-L1170 HydrophobicContact CB-CD1 3.85Å; R1146-L1170 HydrophobicContact CG-CD1 4.35Å; R1146-L1170 WeakPolarHBondContact O-CD1 3.33Å; A1149-L1170 HydrophobicContact CB-CD1 3.75Å; A1149-L1170 HydrophobicContact CB-CD2 3.88Å; A1149-L1170 HydrophobicContact CB-CG 4.41Å; M1150-L1170 HydrophobicContact CG-CD1 4Å; M1150-L1170 HydrophobicContact CG-CD2 4.12Å; M1150-L1170 HydrophobicContact CG-CG 4.29Å; L1170-E1174 HydrophobicContact CD2-CB 4.32Å; L1170-L1175 HydrophobicContact CB-CD2 4.21Å; L1170-L1175 HydrophobicContact CB-CG 4.28Å; L1170-L1175 HydrophobicContact CD1-CD2 3.74Å
1171	T	84.6	Confident	84.1	Confident	63 Å²	63	79.4 Å²	79.4	39%	0.387	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-77.4	157.4	173.5	66	0	0	0	0	110.9	I1173 E1174 L1175	T1171-I1173 PolarHBondContact O-N 3.37Å; T1171-E1174 WeakPolarHBondContact CB-OE2 3.42Å; T1171-E1174 WeakPolarHBondContact CG2-OE2 3.34Å; T1171-E1174 PolarHBondContact N-OE2 3.4Å; T1171-E1174 PolarHBondContact O-N 3.46Å; T1171-E1174 VanDerWaalsContact O-N 3.11Å; T1171-E1174 WeakPolarHBondContact OG1-CG 3.37Å; T1171-E1174 PolarHBondContact OG1-N 3.42Å; T1171-E1174 PolarHBondContact OG1-OE2 3.33Å; T1171-L1175 PolarHBondContact O-N 3.06Å; T1171-L1175 VanDerWaalsContact O-N 3.12Å
1172	A	77.7	Confident	84.1	Confident	81 Å²	81	79.9 Å²	79.9	67%	0.669	42%	0.422	S	S	*	.	H	α-helix	trans	-57.6	-31.9	173.9	0	0	0	0	0	112.4	R1176	A1172-R1176 WeakPolarHBondContact O-CB 3.33Å; A1172-R1176 PolarHBondContact O-N 3.29Å
1173	I	83.3	Confident	84.2	Confident	118 Å²	118	78.8 Å²	78.8	61%	0.605	41%	0.41	S	S	*	.	H	α-helix	trans	-66.6	-42.6	176.7	-67	162.3	0	0	0	110.8	T1171 R1176 N1177	T1171-I1173 PolarHBondContact O-N 3.37Å; I1173-R1176 PolarHBondContact O-N 2.93Å; I1173-N1177 WeakPolarHBondContact O-CB 3.21Å; I1173-N1177 PolarHBondContact O-N 3.35Å; I1173-N1177 PolarHBondContact O-ND2 2.98Å
1174	E	87.5	Confident	84.2	Confident	20 Å²	20	74.9 Å²	74.9	9%	0.093	39%	0.388	C	S	.	.	H	α-helix	trans	-67.2	-39.3	177.9	-71.4	167	101.6	0	0	112.6	A1149 R1153 L1170 T1171 N1177 S1178	A1149-E1174 HydrophobicContact CB-CB 4.38Å; R1153-E1174 IonicContact CZ-OE1 3.65Å; R1153-E1174 VanDerWaalsContact CZ-OE1 3.28Å; R1153-E1174 IonicContact CZ-OE2 3.18Å; R1153-E1174 IonicContact NE-OE1 3.09Å; R1153-E1174 PolarHBondContact NE-OE1 3.3Å; R1153-E1174 IonicContact NE-OE2 3.51Å; R1153-E1174 VanDerWaalsContact NH2-CD 3.29Å; R1153-E1174 IonicContact NH2-OE1 3.73Å; R1153-E1174 PolarHBondContact NH2-OE1 2.99Å; R1153-E1174 IonicContact NH2-OE2 3.35Å; R1153-E1174 PolarHBondContact NH2-OE2 2.84Å; L1170-E1174 HydrophobicContact CD2-CB 4.32Å; T1171-E1174 WeakPolarHBondContact CB-OE2 3.42Å; T1171-E1174 WeakPolarHBondContact CG2-OE2 3.34Å; T1171-E1174 PolarHBondContact N-OE2 3.4Å; T1171-E1174 PolarHBondContact O-N 3.46Å; T1171-E1174 VanDerWaalsContact O-N 3.11Å; T1171-E1174 WeakPolarHBondContact OG1-CG 3.37Å; T1171-E1174 PolarHBondContact OG1-N 3.42Å; T1171-E1174 PolarHBondContact OG1-OE2 3.33Å; E1174-N1177 PolarHBondContact O-N 2.82Å; E1174-S1178 WeakPolarHBondContact O-CB 3.29Å; E1174-S1178 PolarHBondContact O-N 3.39Å
1175	L	82.6	Confident	84	Confident	43 Å²	43	76 Å²	76	23%	0.225	39%	0.388	C	S	.	.	H	α-helix	trans	-62.5	-44.6	173.3	-65.5	176.5	0	0	0	111.1	I1145 R1146 A1149 L1170 T1171 N1177 S1178 Q1179	I1145-L1175 HydrophobicContact CG2-CD2 4.3Å; R1146-L1175 HydrophobicContact CB-CD2 4.35Å; R1146-L1175 HydrophobicContact CG-CD2 3.8Å; A1149-L1175 HydrophobicContact CB-CD2 4.17Å; L1170-L1175 HydrophobicContact CB-CD2 4.21Å; L1170-L1175 HydrophobicContact CB-CG 4.28Å; L1170-L1175 HydrophobicContact CD1-CD2 3.74Å; T1171-L1175 PolarHBondContact O-N 3.06Å; T1171-L1175 VanDerWaalsContact O-N 3.12Å; L1175-N1177 PolarHBondContact O-N 2.78Å; L1175-S1178 WeakPolarHBondContact O-CB 3.31Å; L1175-S1178 PolarHBondContact O-N 3.34Å; L1175-Q1179 WeakPolarHBondContact O-CB 3.33Å; L1175-Q1179 PolarHBondContact O-N 2.81Å
1176	R	82.8	Confident	83.7	Confident	128 Å²	128	75.5 Å²	75.5	48%	0.483	39%	0.392	S	S	.	.	H	α-helix	trans	-61.7	-42.7	174.5	-172.1	174.2	-176	-179.3	-5.6	111.6	A1172 I1173 S1178 Q1179 M1180 D1237	A1172-R1176 WeakPolarHBondContact O-CB 3.33Å; A1172-R1176 PolarHBondContact O-N 3.29Å; I1173-R1176 PolarHBondContact O-N 2.93Å; R1176-S1178 VanDerWaalsContact C-N 3.33Å; R1176-S1178 PolarHBondContact O-N 3.34Å; R1176-Q1179 WeakPolarHBondContact O-CB 3.42Å; R1176-Q1179 PolarHBondContact O-N 3.09Å; R1176-M1180 HydrophobicContact CG-CG 4.44Å; R1176-M1180 WeakPolarHBondContact O-CB 3.48Å; R1176-M1180 VanDerWaalsContact O-CG 3.23Å; R1176-M1180 WeakPolarHBondContact O-CG 3.42Å; R1176-M1180 PolarHBondContact O-N 3.31Å; R1176-D1237 IonicContact CZ-OD2 3.28Å; R1176-D1237 VanDerWaalsContact CZ-OD2 3.29Å; R1176-D1237 IonicContact NE-OD2 2.64Å; R1176-D1237 PolarHBondContact NE-OD2 3.23Å; R1176-D1237 IonicContact NH2-OD2 3.9Å; R1176-D1237 PolarHBondContact NH2-OD2 3.08Å
1177	N	83.9	Confident	83.8	Confident	79 Å²	79	72.4 Å²	72.4	42%	0.422	38%	0.377	S	S	.	.	H	α-helix	trans	-63.7	-39	177.1	-74.7	-17.5	0	0	0	112.1	I1173 E1174 L1175 M1180 T1181	I1173-N1177 WeakPolarHBondContact O-CB 3.21Å; I1173-N1177 PolarHBondContact O-N 3.35Å; I1173-N1177 PolarHBondContact O-ND2 2.98Å; E1174-N1177 PolarHBondContact O-N 2.82Å; L1175-N1177 PolarHBondContact O-N 2.78Å; N1177-M1180 PolarHBondContact O-N 3.5Å; N1177-T1181 WeakPolarHBondContact O-CB 3.14Å; N1177-T1181 PolarHBondContact O-N 2.72Å; N1177-T1181 PolarHBondContact O-OG1 3.34Å
1178	S	85.1	Confident	83.8	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-46.3	172.4	167.8	0	0	0	0	111.9	I1145 T1148 E1174 L1175 R1176 M1180 T1181 W1182	I1145-S1178 WeakPolarHBondContact O-CB 3.12Å; I1145-S1178 PolarHBondContact O-OG 3.15Å; T1148-S1178 WeakPolarHBondContact CB-OG 3.47Å; T1148-S1178 VanDerWaalsContact CG2-OG 3.31Å; T1148-S1178 WeakPolarHBondContact CG2-OG 3.43Å; E1174-S1178 WeakPolarHBondContact O-CB 3.29Å; E1174-S1178 PolarHBondContact O-N 3.39Å; L1175-S1178 WeakPolarHBondContact O-CB 3.31Å; L1175-S1178 PolarHBondContact O-N 3.34Å; R1176-S1178 VanDerWaalsContact C-N 3.33Å; R1176-S1178 PolarHBondContact O-N 3.34Å; S1178-M1180 VanDerWaalsContact C-N 3.34Å; S1178-M1180 PolarHBondContact O-N 3.26Å; S1178-T1181 WeakPolarHBondContact O-CA 3.42Å; S1178-T1181 VanDerWaalsContact O-CB 3.29Å; S1178-T1181 WeakPolarHBondContact O-CB 3.3Å; S1178-T1181 PolarHBondContact O-N 2.89Å; S1178-T1181 VanDerWaalsContact O-N 3.09Å; S1178-W1182 VanDerWaalsContact O-CD1 3.3Å; S1178-W1182 PolarHBondContact O-N 2.91Å
1179	Q	83	Confident	83.5	Confident	74 Å²	74	71.7 Å²	71.7	35%	0.346	37%	0.37	S	S	.	.	H	α-helix	trans	-59.7	-45.2	176.5	-177.1	178	0.6	0	0	111.2	L1175 R1176 T1181 W1182 Y1183	L1175-Q1179 WeakPolarHBondContact O-CB 3.33Å; L1175-Q1179 PolarHBondContact O-N 2.81Å; R1176-Q1179 WeakPolarHBondContact O-CB 3.42Å; R1176-Q1179 PolarHBondContact O-N 3.09Å; Q1179-T1181 VanDerWaalsContact C-N 3.26Å; Q1179-T1181 PolarHBondContact O-N 2.9Å; Q1179-W1182 WeakPolarHBondContact O-CB 3.17Å; Q1179-W1182 PolarHBondContact O-N 2.82Å; Q1179-W1182 VanDerWaalsContact O-N 3.13Å; Q1179-Y1183 HydrophobicContact CG-CD2 4.42Å; Q1179-Y1183 HydrophobicContact CG-CE1 4.14Å; Q1179-Y1183 HydrophobicContact CG-CE2 3.75Å; Q1179-Y1183 PolarHBondContact NE2-OH 3.23Å; Q1179-Y1183 PolarHBondContact O-N 3.03Å
1180	M	85.3	Confident	83.5	Confident	18 Å²	18	70 Å²	70	9%	0.089	36%	0.357	C	S	.	.	H	α-helix	trans	-61.3	-34.3	174	-69.6	-62.6	-75.6	0	0	112.4	R1176 N1177 S1178 Y1183 R1184 E1219 V1222	R1176-M1180 HydrophobicContact CG-CG 4.44Å; R1176-M1180 WeakPolarHBondContact O-CB 3.48Å; R1176-M1180 VanDerWaalsContact O-CG 3.23Å; R1176-M1180 WeakPolarHBondContact O-CG 3.42Å; R1176-M1180 PolarHBondContact O-N 3.31Å; N1177-M1180 PolarHBondContact O-N 3.5Å; S1178-M1180 VanDerWaalsContact C-N 3.34Å; S1178-M1180 PolarHBondContact O-N 3.26Å; M1180-Y1183 PolarHBondContact O-N 2.87Å; M1180-Y1183 HydrophobicContact SD-CD2 3.78Å; M1180-Y1183 HydrophobicContact SD-CE2 4.3Å; M1180-R1184 WeakPolarHBondContact O-CG 3.16Å; M1180-R1184 PolarHBondContact O-N 2.9Å; M1180-E1219 WeakPolarHBondContact CE-O 3.31Å; M1180-V1222 HydrophobicContact CE-CB 3.94Å; M1180-V1222 HydrophobicContact CE-CG2 3.38Å; M1180-V1222 HydrophobicContact SD-CG2 4.27Å
1181	T	85.7	Confident	83.7	Confident	30 Å²	30	71 Å²	71	18%	0.184	36%	0.36	C	S	.	.	H	α-helix	trans	-65.1	-43.5	174.5	-58.4	0	0	0	0	110.9	N1177 S1178 Q1179 R1184 L1185	N1177-T1181 WeakPolarHBondContact O-CB 3.14Å; N1177-T1181 PolarHBondContact O-N 2.72Å; N1177-T1181 PolarHBondContact O-OG1 3.34Å; S1178-T1181 WeakPolarHBondContact O-CA 3.42Å; S1178-T1181 VanDerWaalsContact O-CB 3.29Å; S1178-T1181 WeakPolarHBondContact O-CB 3.3Å; S1178-T1181 PolarHBondContact O-N 2.89Å; S1178-T1181 VanDerWaalsContact O-N 3.09Å; Q1179-T1181 VanDerWaalsContact C-N 3.26Å; Q1179-T1181 PolarHBondContact O-N 2.9Å; T1181-R1184 PolarHBondContact O-N 2.89Å; T1181-L1185 HydrophobicContact CG2-CD1 4.31Å; T1181-L1185 WeakPolarHBondContact O-CG 3.25Å; T1181-L1185 PolarHBondContact O-N 3.09Å
1182	W	84.6	Confident	83.8	Confident	92 Å²	92	71.6 Å²	71.6	35%	0.348	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-42.3	173.9	-79.8	107	0	0	0	112.4	P1144 T1148 S1178 Q1179 R1184 L1185 I1186	P1144-W1182 HydrophobicContact CB-CZ2 4.06Å; P1144-W1182 HydrophobicContact CG-CH2 4.33Å; P1144-W1182 HydrophobicContact CG-CZ2 3.63Å; T1148-W1182 PolarHBondContact OG1-NE1 2.71Å; S1178-W1182 VanDerWaalsContact O-CD1 3.3Å; S1178-W1182 PolarHBondContact O-N 2.91Å; Q1179-W1182 WeakPolarHBondContact O-CB 3.17Å; Q1179-W1182 PolarHBondContact O-N 2.82Å; Q1179-W1182 VanDerWaalsContact O-N 3.13Å; W1182-R1184 PolarHBondContact O-N 2.88Å; W1182-L1185 PolarHBondContact O-N 3.12Å; W1182-I1186 VanDerWaalsContact O-CG1 3.29Å; W1182-I1186 WeakPolarHBondContact O-CG1 3.31Å; W1182-I1186 PolarHBondContact O-N 2.81Å
1183	Y	84.9	Confident	84.1	Confident	93 Å²	93	71.1 Å²	71.1	37%	0.365	36%	0.359	S	S	.	.	H	α-helix	trans	-57.6	-47.3	174.6	-65.1	-22.5	0	0	0	112	Q1179 M1180 L1185 I1186 Q1187	Q1179-Y1183 HydrophobicContact CG-CD2 4.42Å; Q1179-Y1183 HydrophobicContact CG-CE1 4.14Å; Q1179-Y1183 HydrophobicContact CG-CE2 3.75Å; Q1179-Y1183 PolarHBondContact NE2-OH 3.23Å; Q1179-Y1183 PolarHBondContact O-N 3.03Å; M1180-Y1183 PolarHBondContact O-N 2.87Å; M1180-Y1183 HydrophobicContact SD-CD2 3.78Å; M1180-Y1183 HydrophobicContact SD-CE2 4.3Å; Y1183-L1185 PolarHBondContact O-N 3.35Å; Y1183-I1186 PolarHBondContact O-N 2.93Å; Y1183-Q1187 VanDerWaalsContact O-CB 3.24Å; Y1183-Q1187 WeakPolarHBondContact O-CB 3.33Å; Y1183-Q1187 WeakPolarHBondContact O-CG 3.37Å; Y1183-Q1187 PolarHBondContact O-N 3.47Å
1184	R	86	Confident	84.4	Confident	99 Å²	99	66.8 Å²	66.8	37%	0.374	34%	0.336	S	S	.	.	H	α-helix	trans	-59.4	-46	176.9	-73.2	-178.4	-122.2	135.7	1.2	112.2	M1180 T1181 W1182 A1188 G1220 V1222	M1180-R1184 WeakPolarHBondContact O-CG 3.16Å; M1180-R1184 PolarHBondContact O-N 2.9Å; T1181-R1184 PolarHBondContact O-N 2.89Å; W1182-R1184 PolarHBondContact O-N 2.88Å; R1184-A1188 WeakPolarHBondContact O-CB 3.13Å; R1184-A1188 PolarHBondContact O-N 3.1Å; R1184-G1220 VanDerWaalsContact CD-O 3.23Å; R1184-G1220 WeakPolarHBondContact CD-O 3.3Å; R1184-G1220 PolarHBondContact NE-O 3.31Å; R1184-V1222 HydrophobicContact CG-CG2 3.68Å
1185	L	84.3	Confident	84.4	Confident	102 Å²	102	67.2 Å²	67.2	53%	0.534	34%	0.339	S	S	.	.	H	α-helix	trans	-62.3	-47.1	-179.7	-71.5	170.1	0	0	0	111.8	T1181 W1182 Y1183 A1188 E1189	T1181-L1185 HydrophobicContact CG2-CD1 4.31Å; T1181-L1185 WeakPolarHBondContact O-CG 3.25Å; T1181-L1185 PolarHBondContact O-N 3.09Å; W1182-L1185 PolarHBondContact O-N 3.12Å; Y1183-L1185 PolarHBondContact O-N 3.35Å; L1185-A1188 PolarHBondContact O-N 3.45Å; L1185-E1189 PolarHBondContact O-N 2.95Å
1186	I	82.2	Confident	84.6	Confident	88 Å²	88	68 Å²	68	45%	0.451	35%	0.352	S	S	.	.	H	α-helix	trans	-66.4	-44.2	-179.4	-65.8	165	0	0	0	111.1	W1182 Y1183 E1189 T1190	W1182-I1186 VanDerWaalsContact O-CG1 3.29Å; W1182-I1186 WeakPolarHBondContact O-CG1 3.31Å; W1182-I1186 PolarHBondContact O-N 2.81Å; Y1183-I1186 PolarHBondContact O-N 2.93Å; I1186-E1189 PolarHBondContact O-N 2.89Å; I1186-T1190 WeakPolarHBondContact O-CB 3.22Å; I1186-T1190 PolarHBondContact O-N 3.02Å; I1186-T1190 PolarHBondContact O-OG1 2.63Å
1187	Q	87.5	Confident	85	Confident	34 Å²	34	66 Å²	66	16%	0.159	34%	0.344	C	S	.	.	H	α-helix	trans	-66.7	-40.4	178.7	-72.6	-178.3	-16.7	0	0	111.4	Y1183 E1189 T1190 F1191 I1195 L1223	Y1183-Q1187 VanDerWaalsContact O-CB 3.24Å; Y1183-Q1187 WeakPolarHBondContact O-CB 3.33Å; Y1183-Q1187 WeakPolarHBondContact O-CG 3.37Å; Y1183-Q1187 PolarHBondContact O-N 3.47Å; Q1187-E1189 VanDerWaalsContact C-N 3.27Å; Q1187-E1189 PolarHBondContact O-N 3.28Å; Q1187-T1190 PolarHBondContact O-N 3.12Å; Q1187-F1191 HydrophobicContact CG-CD2 4.48Å; Q1187-F1191 CarbonylContact O-C 3.59Å; Q1187-F1191 WeakPolarHBondContact O-CA 3.41Å; Q1187-F1191 PolarHBondContact O-N 2.96Å; Q1187-I1195 HydrophobicContact CB-CD1 3.83Å; Q1187-I1195 WeakPolarHBondContact O-CD1 3.46Å; Q1187-L1223 PolarHBondContact NE2-O 3.15Å
1188	A	83.2	Confident	85.2	Confident	53 Å²	53	64 Å²	64	44%	0.438	33%	0.333	S	S	.	.	H	α-helix	trans	-62.3	-34.4	174.7	0	0	0	0	0	112.2	R1184 L1185 S1192	R1184-A1188 WeakPolarHBondContact O-CB 3.13Å; R1184-A1188 PolarHBondContact O-N 3.1Å; L1185-A1188 PolarHBondContact O-N 3.45Å; A1188-S1192 WeakPolarHBondContact O-CA 2.97Å; A1188-S1192 VanDerWaalsContact O-CB 3.22Å; A1188-S1192 WeakPolarHBondContact O-CB 3.46Å
1189	E	78.9	Confident	85.4	Confident	133 Å²	133	67.5 Å²	67.5	62%	0.621	36%	0.358	S	S	*	.	H	α-helix	trans	-71.7	-41.7	174.3	-171	-177.6	166.1	0	0	112.1	H1052 L1185 I1186 Q1187	H1052-E1189 IonicContact ND1-OE1 2.86Å; L1185-E1189 PolarHBondContact O-N 2.95Å; I1186-E1189 PolarHBondContact O-N 2.89Å; Q1187-E1189 VanDerWaalsContact C-N 3.27Å; Q1187-E1189 PolarHBondContact O-N 3.28Å
1190	T	79.9	Confident	85.7	Confident	84 Å²	84	67.5 Å²	67.5	52%	0.515	37%	0.366	S	S	.	.	H	α-helix	trans	-88.9	-38.9	-169.5	-49.2	0	0	0	0	113.5	I1186 Q1187	I1186-T1190 WeakPolarHBondContact O-CB 3.22Å; I1186-T1190 PolarHBondContact O-N 3.02Å; I1186-T1190 PolarHBondContact O-OG1 2.63Å; Q1187-T1190 PolarHBondContact O-N 3.12Å
1191	F	85.8	Confident	85.7	Confident	59 Å²	59	70.1 Å²	70.1	26%	0.259	40%	0.397	S	S	.	.	S	Bend	trans	-121.8	32.6	-172.2	-57	-67.9	0	0	0	111.4	Q1187 S1193 E1194 I1195 I1210 L1223	Q1187-F1191 HydrophobicContact CG-CD2 4.48Å; Q1187-F1191 CarbonylContact O-C 3.59Å; Q1187-F1191 WeakPolarHBondContact O-CA 3.41Å; Q1187-F1191 PolarHBondContact O-N 2.96Å; F1191-S1193 PolarHBondContact O-N 2.86Å; F1191-E1194 HydrophobicContact CB-CB 4.28Å; F1191-E1194 PolarHBondContact O-N 3.16Å; F1191-E1194 VanDerWaalsContact O-N 3.16Å; F1191-I1195 HydrophobicContact CB-CD1 4.17Å; F1191-I1195 HydrophobicContact CB-CG1 4.3Å; F1191-I1195 WeakPolarHBondContact O-CB 3.28Å; F1191-I1195 VanDerWaalsContact O-CG1 3.29Å; F1191-I1195 WeakPolarHBondContact O-CG1 3.06Å; F1191-I1195 PolarHBondContact O-N 3.31Å; F1191-I1210 HydrophobicContact CD1-CD1 4.27Å; F1191-I1210 HydrophobicContact CE1-CG2 3.96Å; F1191-I1210 HydrophobicContact CZ-CG2 4.41Å; F1191-L1223 HydrophobicContact CB-CD2 4.11Å; F1191-L1223 HydrophobicContact CD2-CD2 3.91Å; F1191-L1223 HydrophobicContact CG-CD2 4Å
1192	S	85	Confident	85.8	Confident	75 Å²	75	73.7 Å²	73.7	52%	0.524	41%	0.412	S	S	.	.	H	α-helix	trans	-50.1	-44.8	-177.2	54.1	0	0	0	0	112.6	A1188 A1196	A1188-S1192 WeakPolarHBondContact O-CA 2.97Å; A1188-S1192 VanDerWaalsContact O-CB 3.22Å; A1188-S1192 WeakPolarHBondContact O-CB 3.46Å; S1192-A1196 VanDerWaalsContact O-CB 3.31Å; S1192-A1196 WeakPolarHBondContact O-CB 3.32Å; S1192-A1196 PolarHBondContact O-N 2.9Å
1193	S	85.4	Confident	85.7	Confident	72 Å²	72	77 Å²	77	50%	0.503	43%	0.431	S	S	.	.	H	α-helix	trans	-68.7	-41.8	-178.1	78	0	0	0	0	112.7	F1191 R1197	F1191-S1193 PolarHBondContact O-N 2.86Å; S1193-R1197 WeakPolarHBondContact O-CG 3.34Å; S1193-R1197 PolarHBondContact O-N 3.45Å; S1193-R1197 VanDerWaalsContact O-N 3.1Å
1194	E	88.5	Confident	85.8	Confident	26 Å²	26	73.1 Å²	73.1	12%	0.121	42%	0.417	C	S	.	.	H	α-helix	trans	-68.5	-43.7	178	-70	85.9	165.3	0	0	111.4	F1191 A1196 R1197 L1198 L1204 S1208 I1210	F1191-E1194 HydrophobicContact CB-CB 4.28Å; F1191-E1194 PolarHBondContact O-N 3.16Å; F1191-E1194 VanDerWaalsContact O-N 3.16Å; E1194-A1196 VanDerWaalsContact C-N 3.35Å; E1194-R1197 PolarHBondContact O-N 3.09Å; E1194-L1198 WeakPolarHBondContact O-CB 3.32Å; E1194-L1198 WeakPolarHBondContact O-CG 3.27Å; E1194-L1198 PolarHBondContact O-N 2.95Å; E1194-L1204 HydrophobicContact CB-CD1 4.11Å; E1194-L1204 HydrophobicContact CB-CD2 3.68Å; E1194-L1204 HydrophobicContact CG-CD1 3.89Å; E1194-L1204 HydrophobicContact CG-CD2 3.81Å; E1194-S1208 WeakPolarHBondContact CG-OG 3.32Å; E1194-S1208 PolarHBondContact OE1-OG 3.2Å; E1194-I1210 HydrophobicContact CB-CD1 4.18Å; E1194-I1210 HydrophobicContact CG-CD1 4.01Å; E1194-I1210 HydrophobicContact CG-CG1 4.2Å
1195	I	87.6	Confident	85.7	Confident	29 Å²	29	70.4 Å²	70.4	15%	0.149	41%	0.412	C	S	.	.	H	α-helix	trans	-63.1	-42.8	176.7	-68.5	166.6	0	0	0	110.3	Q1187 F1191 R1197 L1198 S1199 L1217	Q1187-I1195 HydrophobicContact CB-CD1 3.83Å; Q1187-I1195 WeakPolarHBondContact O-CD1 3.46Å; F1191-I1195 HydrophobicContact CB-CD1 4.17Å; F1191-I1195 HydrophobicContact CB-CG1 4.3Å; F1191-I1195 WeakPolarHBondContact O-CB 3.28Å; F1191-I1195 VanDerWaalsContact O-CG1 3.29Å; F1191-I1195 WeakPolarHBondContact O-CG1 3.06Å; F1191-I1195 PolarHBondContact O-N 3.31Å; I1195-R1197 VanDerWaalsContact C-N 3.34Å; I1195-R1197 PolarHBondContact O-N 3.41Å; I1195-L1198 PolarHBondContact O-N 3.25Å; I1195-S1199 WeakPolarHBondContact O-CB 3.49Å; I1195-S1199 PolarHBondContact O-N 2.89Å; I1195-S1199 PolarHBondContact O-OG 3.24Å; I1195-L1217 HydrophobicContact CG2-CD2 4.41Å
1196	A	87.8	Confident	85.6	Confident	60 Å²	60	74.4 Å²	74.4	50%	0.496	43%	0.425	S	S	.	.	H	α-helix	trans	-61	-41.3	176.2	0	0	0	0	0	112.4	S1192 E1194 S1200	S1192-A1196 VanDerWaalsContact O-CB 3.31Å; S1192-A1196 WeakPolarHBondContact O-CB 3.32Å; S1192-A1196 PolarHBondContact O-N 2.9Å; E1194-A1196 VanDerWaalsContact C-N 3.35Å; A1196-S1200 PolarHBondContact O-N 3.09Å; A1196-S1200 VanDerWaalsContact O-N 3.12Å; A1196-S1200 PolarHBondContact O-OG 3.18Å
1197	R	90.1	Very high	85.5	Confident	86 Å²	86	76.4 Å²	76.4	33%	0.325	44%	0.441	S	S	.	.	H	α-helix	trans	-67.1	-49.4	176.3	-73.3	-174	72.2	151.7	2.5	112.2	S1193 E1194 I1195 S1199 S1200 G1201 Q1202 E1203 L1204 P1205	S1193-R1197 WeakPolarHBondContact O-CG 3.34Å; S1193-R1197 PolarHBondContact O-N 3.45Å; S1193-R1197 VanDerWaalsContact O-N 3.1Å; E1194-R1197 PolarHBondContact O-N 3.09Å; I1195-R1197 VanDerWaalsContact C-N 3.34Å; I1195-R1197 PolarHBondContact O-N 3.41Å; R1197-S1199 VanDerWaalsContact C-N 3.28Å; R1197-S1199 PolarHBondContact O-N 2.98Å; R1197-S1200 WeakPolarHBondContact CA-OG 3.37Å; R1197-S1200 CarbonylContact O-C 3.52Å; R1197-S1200 PolarHBondContact O-N 3.43Å; R1197-S1200 VanDerWaalsContact O-N 3.09Å; R1197-S1200 PolarHBondContact O-OG 3.42Å; R1197-G1201 PolarHBondContact O-N 3.12Å; R1197-Q1202 CarbonylContact C-O 3.57Å; R1197-Q1202 HydrophobicContact CB-CB 4.19Å; R1197-Q1202 PolarHBondContact O-N 2.74Å; R1197-E1203 PolarHBondContact NE-O 3.45Å; R1197-E1203 PolarHBondContact NH2-O 2.78Å; R1197-L1204 HydrophobicContact CB-CD2 4Å; R1197-P1205 VanDerWaalsContact NH1-CD 3.33Å
1198	L	89.5	Confident	85.2	Confident	37 Å²	37	75.4 Å²	75.4	19%	0.194	44%	0.438	C	S	.	.	H	α-helix	trans	-63.8	-34.9	177.9	-69.6	171.7	0	0	0	112	E1194 I1195 S1200 G1201 L1204 P1215 L1217 L1223	E1194-L1198 WeakPolarHBondContact O-CB 3.32Å; E1194-L1198 WeakPolarHBondContact O-CG 3.27Å; E1194-L1198 PolarHBondContact O-N 2.95Å; I1195-L1198 PolarHBondContact O-N 3.25Å; L1198-S1200 VanDerWaalsContact C-N 3.27Å; L1198-S1200 PolarHBondContact O-N 2.98Å; L1198-G1201 PolarHBondContact O-N 3.43Å; L1198-G1201 VanDerWaalsContact O-N 3.16Å; L1198-L1204 HydrophobicContact CD1-CD1 4.37Å; L1198-L1204 HydrophobicContact CD1-CD2 4.41Å; L1198-L1204 HydrophobicContact CD1-CG 4.41Å; L1198-L1204 HydrophobicContact CD2-CD2 4.44Å; L1198-L1204 HydrophobicContact CD2-CG 4.2Å; L1198-L1204 HydrophobicContact CG-CD2 3.99Å; L1198-L1204 HydrophobicContact CG-CG 4.18Å; L1198-P1215 HydrophobicContact CD1-CB 4.4Å; L1198-L1217 HydrophobicContact CB-CD1 3.9Å; L1198-L1217 HydrophobicContact CB-CG 3.97Å; L1198-L1223 HydrophobicContact CD1-CD1 3.3Å
1199	S	88	Confident	84.9	Confident	74 Å²	74	77.6 Å²	77.6	52%	0.517	46%	0.456	S	S	.	.	H	α-helix	trans	-68.2	-27.3	175.9	-58.7	0	0	0	0	112.4	I1195 R1197 G1201 L1217	I1195-S1199 WeakPolarHBondContact O-CB 3.49Å; I1195-S1199 PolarHBondContact O-N 2.89Å; I1195-S1199 PolarHBondContact O-OG 3.24Å; R1197-S1199 VanDerWaalsContact C-N 3.28Å; R1197-S1199 PolarHBondContact O-N 2.98Å; S1199-G1201 VanDerWaalsContact C-N 3.33Å; S1199-L1217 VanDerWaalsContact OG-CD1 3.23Å; S1199-L1217 WeakPolarHBondContact OG-CD1 2.99Å
1200	S	89.5	Confident	85	Confident	73 Å²	73	72.1 Å²	72.1	51%	0.51	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	7.8	174.5	52.8	0	0	0	0	113.4	A1196 R1197 L1198 Q1202	A1196-S1200 PolarHBondContact O-N 3.09Å; A1196-S1200 VanDerWaalsContact O-N 3.12Å; A1196-S1200 PolarHBondContact O-OG 3.18Å; R1197-S1200 WeakPolarHBondContact CA-OG 3.37Å; R1197-S1200 CarbonylContact O-C 3.52Å; R1197-S1200 PolarHBondContact O-N 3.43Å; R1197-S1200 VanDerWaalsContact O-N 3.09Å; R1197-S1200 PolarHBondContact O-OG 3.42Å; L1198-S1200 VanDerWaalsContact C-N 3.27Å; L1198-S1200 PolarHBondContact O-N 2.98Å; S1200-Q1202 PolarHBondContact O-N 2.84Å
1201	G	85.4	Confident	85.2	Confident	73 Å²	73	71.6 Å²	71.6	75%	0.753	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	14.4	-178.5	0	0	0	0	0	114.1	R1197 L1198 S1199	R1197-G1201 PolarHBondContact O-N 3.12Å; L1198-G1201 PolarHBondContact O-N 3.43Å; L1198-G1201 VanDerWaalsContact O-N 3.16Å; S1199-G1201 VanDerWaalsContact C-N 3.33Å
1202	Q	87.4	Confident	84.9	Confident	105 Å²	105	77.7 Å²	77.7	49%	0.491	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-86.5	140.8	177.1	-62.6	-176.6	-5.7	0	0	111	R1197 S1200	R1197-Q1202 CarbonylContact C-O 3.57Å; R1197-Q1202 HydrophobicContact CB-CB 4.19Å; R1197-Q1202 PolarHBondContact O-N 2.74Å; S1200-Q1202 PolarHBondContact O-N 2.84Å
1203	E	83	Confident	84.6	Confident	162 Å²	162	78.5 Å²	78.5	76%	0.757	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-62.7	147.4	169.4	-69.8	-174.9	172	0	0	111.1	R1197	R1197-E1203 PolarHBondContact NE-O 3.45Å; R1197-E1203 PolarHBondContact NH2-O 2.78Å
1204	L	86.8	Confident	84.4	Confident	12 Å²	12	79.7 Å²	79.7	6%	0.063	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-70.4	146.7	172.2	-68.7	-168.8	0	0	0	111	E1194 R1197 L1198 I1210 F1211 P1215	E1194-L1204 HydrophobicContact CB-CD1 4.11Å; E1194-L1204 HydrophobicContact CB-CD2 3.68Å; E1194-L1204 HydrophobicContact CG-CD1 3.89Å; E1194-L1204 HydrophobicContact CG-CD2 3.81Å; R1197-L1204 HydrophobicContact CB-CD2 4Å; L1198-L1204 HydrophobicContact CD1-CD1 4.37Å; L1198-L1204 HydrophobicContact CD1-CD2 4.41Å; L1198-L1204 HydrophobicContact CD1-CG 4.41Å; L1198-L1204 HydrophobicContact CD2-CD2 4.44Å; L1198-L1204 HydrophobicContact CD2-CG 4.2Å; L1198-L1204 HydrophobicContact CG-CD2 3.99Å; L1198-L1204 HydrophobicContact CG-CG 4.18Å; L1204-I1210 HydrophobicContact CD1-CD1 3.99Å; L1204-I1210 HydrophobicContact CD1-CG1 3.88Å; L1204-F1211 HydrophobicContact CB-CD2 4.05Å; L1204-F1211 VanDerWaalsContact O-CD2 3.24Å; L1204-F1211 WeakPolarHBondContact O-CD2 3.4Å; L1204-F1211 WeakPolarHBondContact O-CE2 3.24Å; L1204-P1215 HydrophobicContact CD1-CB 4.3Å; L1204-P1215 HydrophobicContact CD1-CG 3.26Å; L1204-P1215 HydrophobicContact CG-CG 4.28Å
1205	P	84.6	Confident	84.3	Confident	41 Å²	41	79.2 Å²	79.2	27%	0.266	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-68.1	146.6	174.6	30.1	-29.5	0	0	0	109.4	R1197 T1207 S1208	R1197-P1205 VanDerWaalsContact NH1-CD 3.33Å; P1205-T1207 PolarHBondContact O-N 3.26Å; P1205-S1208 WeakPolarHBondContact O-CB 3.41Å; P1205-S1208 PolarHBondContact O-N 2.96Å
1206	K	81.4	Confident	84.3	Confident	186 Å²	186	81 Å²	81	81%	0.809	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-16.1	174.7	-68.2	-175.9	178.8	178	0	113.7	F1211	K1206-F1211 HydrophobicContact CG-CD1 4.34Å; K1206-F1211 HydrophobicContact CG-CE1 3.91Å; K1206-F1211 HydrophobicContact CG-CE2 4.38Å; K1206-F1211 HydrophobicContact CG-CZ 3.93Å
1207	T	81.1	Confident	84.2	Confident	130 Å²	130	80 Å²	80	80%	0.798	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-13.7	175.7	54.8	0	0	0	0	114.1	P1205	P1205-T1207 PolarHBondContact O-N 3.26Å
1208	S	79.9	Confident	83.8	Confident	14 Å²	14	76.7 Å²	76.7	10%	0.098	43%	0.434	C	S	.	.	S	Bend	trans	-65.2	136.5	175.5	175.4	0	0	0	0	110	E1194 P1205 I1210 F1211	E1194-S1208 WeakPolarHBondContact CG-OG 3.32Å; E1194-S1208 PolarHBondContact OE1-OG 3.2Å; P1205-S1208 WeakPolarHBondContact O-CB 3.41Å; P1205-S1208 PolarHBondContact O-N 2.96Å; S1208-I1210 PolarHBondContact O-N 3.39Å; S1208-I1210 WeakPolarHBondContact OG-CG1 3.19Å; S1208-I1210 PolarHBondContact OG-N 3.26Å; S1208-F1211 PolarHBondContact O-N 3.04Å
1209	A	77.2	Confident	83.1	Confident	98 Å²	98	82.5 Å²	82.5	81%	0.81	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.5	-179.3	0	0	0	0	0	113.3
1210	I	82.1	Confident	82.4	Confident	19 Å²	19	80.8 Å²	80.8	10%	0.097	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	0.7	-177.4	60.1	167.1	0	0	0	113.7	F1191 E1194 L1204 S1208 Q1212 L1213 P1215 L1223	F1191-I1210 HydrophobicContact CD1-CD1 4.27Å; F1191-I1210 HydrophobicContact CE1-CG2 3.96Å; F1191-I1210 HydrophobicContact CZ-CG2 4.41Å; E1194-I1210 HydrophobicContact CB-CD1 4.18Å; E1194-I1210 HydrophobicContact CG-CD1 4.01Å; E1194-I1210 HydrophobicContact CG-CG1 4.2Å; L1204-I1210 HydrophobicContact CD1-CD1 3.99Å; L1204-I1210 HydrophobicContact CD1-CG1 3.88Å; S1208-I1210 PolarHBondContact O-N 3.39Å; S1208-I1210 WeakPolarHBondContact OG-CG1 3.19Å; S1208-I1210 PolarHBondContact OG-N 3.26Å; I1210-Q1212 VanDerWaalsContact C-N 3.29Å; I1210-Q1212 PolarHBondContact O-N 3.45Å; I1210-L1213 HydrophobicContact CB-CD1 4.23Å; I1210-L1213 HydrophobicContact CG2-CD1 4.15Å; I1210-L1213 WeakPolarHBondContact O-CB 3.35Å; I1210-L1213 PolarHBondContact O-N 3.05Å; I1210-P1215 HydrophobicContact CD1-CB 3.94Å; I1210-P1215 HydrophobicContact CD1-CG 4.06Å; I1210-P1215 HydrophobicContact CG1-CB 4.45Å; I1210-P1215 HydrophobicContact CG1-CG 4.13Å; I1210-P1215 VanDerWaalsContact O-CD 3.31Å; I1210-P1215 WeakPolarHBondContact O-CD 2.93Å; I1210-P1215 WeakPolarHBondContact O-CG 3.22Å; I1210-L1223 HydrophobicContact CD1-CD2 3.61Å
1211	F	83.4	Confident	82	Confident	73 Å²	73	84 Å²	84	32%	0.32	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-53.7	-43.6	-177.4	174.6	-95.6	0	0	0	112.8	L1204 K1206 S1208 L1213 D1214	L1204-F1211 HydrophobicContact CB-CD2 4.05Å; L1204-F1211 VanDerWaalsContact O-CD2 3.24Å; L1204-F1211 WeakPolarHBondContact O-CD2 3.4Å; L1204-F1211 WeakPolarHBondContact O-CE2 3.24Å; K1206-F1211 HydrophobicContact CG-CD1 4.34Å; K1206-F1211 HydrophobicContact CG-CE1 3.91Å; K1206-F1211 HydrophobicContact CG-CE2 4.38Å; K1206-F1211 HydrophobicContact CG-CZ 3.93Å; S1208-F1211 PolarHBondContact O-N 3.04Å; F1211-L1213 PolarHBondContact O-N 2.8Å; F1211-L1213 VanDerWaalsContact O-N 3.16Å; F1211-D1214 PolarHBondContact O-N 3.08Å
1212	Q	78.9	Confident	82.1	Confident	187 Å²	187	80.7 Å²	80.7	87%	0.874	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-68.4	-12.5	-178.9	-64.8	-166.6	1.7	0	0	114.2	I1210 D1214	I1210-Q1212 VanDerWaalsContact C-N 3.29Å; I1210-Q1212 PolarHBondContact O-N 3.45Å; Q1212-D1214 VanDerWaalsContact C-N 3.27Å
1213	L	79.2	Confident	82	Confident	91 Å²	91	76.5 Å²	76.5	48%	0.476	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-85.5	-0.9	-179.9	-57	179.8	0	0	0	112.2	I1210 F1211 V1225	I1210-L1213 HydrophobicContact CB-CD1 4.23Å; I1210-L1213 HydrophobicContact CG2-CD1 4.15Å; I1210-L1213 WeakPolarHBondContact O-CB 3.35Å; I1210-L1213 PolarHBondContact O-N 3.05Å; F1211-L1213 PolarHBondContact O-N 2.8Å; F1211-L1213 VanDerWaalsContact O-N 3.16Å; L1213-V1225 HydrophobicContact CB-CG1 3.51Å; L1213-V1225 WeakPolarHBondContact O-CG1 3.17Å
1214	D	81.3	Confident	82.2	Confident	97 Å²	97	70.2 Å²	70.2	52%	0.519	38%	0.377	S	S	.	.			trans	55.2	57.8	-173.8	-169	33.7	0	0	0	112	F1211 Q1212 G1226 G1227	F1211-D1214 PolarHBondContact O-N 3.08Å; Q1212-D1214 VanDerWaalsContact C-N 3.27Å; D1214-G1226 PolarHBondContact O-N 2.92Å; D1214-G1227 PolarHBondContact OD2-N 3.08Å
1215	P	87	Confident	81.9	Confident	17 Å²	17	72.3 Å²	72.3	11%	0.11	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	138.9	-173.3	32.2	-33.8	0	0	0	111.4	L1198 L1204 I1210 L1223 R1224	L1198-P1215 HydrophobicContact CD1-CB 4.4Å; L1204-P1215 HydrophobicContact CD1-CB 4.3Å; L1204-P1215 HydrophobicContact CD1-CG 3.26Å; L1204-P1215 HydrophobicContact CG-CG 4.28Å; I1210-P1215 HydrophobicContact CD1-CB 3.94Å; I1210-P1215 HydrophobicContact CD1-CG 4.06Å; I1210-P1215 HydrophobicContact CG1-CB 4.45Å; I1210-P1215 HydrophobicContact CG1-CG 4.13Å; I1210-P1215 VanDerWaalsContact O-CD 3.31Å; I1210-P1215 WeakPolarHBondContact O-CD 2.93Å; I1210-P1215 WeakPolarHBondContact O-CG 3.22Å; P1215-L1223 HydrophobicContact CB-CD1 4.2Å; P1215-R1224 VanDerWaalsContact CA-O 3.3Å; P1215-R1224 WeakPolarHBondContact CA-O 3.27Å
1216	F	87.3	Confident	81.4	Confident	66 Å²	66	70.7 Å²	70.7	29%	0.289	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161.2	177.4	70.3	-83.8	0	0	0	110.6	R1224 Y1236	F1216-R1224 HydrophobicContact CD1-CB 4.49Å; F1216-R1224 HydrophobicContact CE1-CB 3.94Å; F1216-R1224 HydrophobicContact CE2-CB 4.09Å; F1216-R1224 HydrophobicContact CZ-CB 3.7Å; F1216-R1224 PolarHBondContact N-O 3.5Å; F1216-R1224 PolarHBondContact O-N 3.13Å; F1216-Y1236 AromaticContact CE1-CE1 3.89Å; F1216-Y1236 HydrophobicContact CE1-CE1 3.89Å; F1216-Y1236 HydrophobicContact CZ-CD1 4.4Å; F1216-Y1236 AromaticContact CZ-CE1 3.68Å; F1216-Y1236 HydrophobicContact CZ-CE1 3.68Å; F1216-Y1236 HydrophobicContact CZ-CE2 4.07Å; F1216-Y1236 AromaticContact CZ-CZ 3.49Å; F1216-Y1236 VanDerWaalsContact CZ-CZ 3.49Å; F1216-Y1236 WeakPolarHBondContact CZ-OH 3.28Å
1217	L	86	Confident	80.8	Confident	39 Å²	39	63 Å²	63	20%	0.204	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112.4	172.7	-71.7	171.2	0	0	0	109.5	I1195 L1198 S1199 L1223	I1195-L1217 HydrophobicContact CG2-CD2 4.41Å; L1198-L1217 HydrophobicContact CB-CD1 3.9Å; L1198-L1217 HydrophobicContact CB-CG 3.97Å; S1199-L1217 VanDerWaalsContact OG-CD1 3.23Å; S1199-L1217 WeakPolarHBondContact OG-CD1 2.99Å; L1217-L1223 HydrophobicContact CD2-CB 4.43Å; L1217-L1223 HydrophobicContact CD2-CD1 4.36Å
1218	G	80.8	Confident	80	Confident	16 Å²	16	66.4 Å²	66.4	17%	0.165	35%	0.353	C	S	.	.			trans	-88.6	-164.3	177.7	0	0	0	0	0	113.4	G1220 H1221 V1222	G1218-G1220 PolarHBondContact O-N 2.82Å; G1218-H1221 PolarHBondContact O-N 3.19Å; G1218-H1221 VanDerWaalsContact O-N 3.13Å; G1218-V1222 PolarHBondContact N-O 2.93Å
1219	E	75.6	Confident	79.1	Confident	159 Å²	159	69 Å²	69	74%	0.743	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-53.9	130.8	178.5	-163.3	178.7	-170.8	0	0	111.8	M1180	M1180-E1219 WeakPolarHBondContact CE-O 3.31Å
1220	G	71.9	Confident	78.3	Confident	39 Å²	39	70.4 Å²	70.4	40%	0.402	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	75.6	21.3	-178.1	0	0	0	0	0	115.4	R1184 G1218 V1222	R1184-G1220 VanDerWaalsContact CD-O 3.23Å; R1184-G1220 WeakPolarHBondContact CD-O 3.3Å; R1184-G1220 PolarHBondContact NE-O 3.31Å; G1218-G1220 PolarHBondContact O-N 2.82Å; G1220-V1222 PolarHBondContact O-N 2.94Å
1221	H	81.8	Confident	77.3	Confident	139 Å²	139	80.3 Å²	80.3	64%	0.644	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	55.5	34.9	-178.6	-75	-21.1	0	0	0	113.8	G1218	G1218-H1221 PolarHBondContact O-N 3.19Å; G1218-H1221 VanDerWaalsContact O-N 3.13Å
1222	V	86.1	Confident	76.1	Confident	5 Å²	5	83.6 Å²	83.6	3%	0.03	41%	0.405	C	S	.	.			trans	-94.8	131.9	171.5	173.1	0	0	0	0	108.1	M1180 R1184 G1218 G1220 R1224	M1180-V1222 HydrophobicContact CE-CB 3.94Å; M1180-V1222 HydrophobicContact CE-CG2 3.38Å; M1180-V1222 HydrophobicContact SD-CG2 4.27Å; R1184-V1222 HydrophobicContact CG-CG2 3.68Å; G1218-V1222 PolarHBondContact N-O 2.93Å; G1220-V1222 PolarHBondContact O-N 2.94Å; V1222-R1224 PolarHBondContact O-N 2.69Å
1223	L	86.7	Confident	74.9	Confident	17 Å²	17	78.1 Å²	78.1	9%	0.089	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	120.6	173.4	-171	74.3	0	0	0	109	Q1187 F1191 L1198 I1210 P1215 L1217	Q1187-L1223 PolarHBondContact NE2-O 3.15Å; F1191-L1223 HydrophobicContact CB-CD2 4.11Å; F1191-L1223 HydrophobicContact CD2-CD2 3.91Å; F1191-L1223 HydrophobicContact CG-CD2 4Å; L1198-L1223 HydrophobicContact CD1-CD1 3.3Å; I1210-L1223 HydrophobicContact CD1-CD2 3.61Å; P1215-L1223 HydrophobicContact CB-CD1 4.2Å; L1217-L1223 HydrophobicContact CD2-CB 4.43Å; L1217-L1223 HydrophobicContact CD2-CD1 4.36Å
1224	R	87	Confident	73.7	Confident	29 Å²	29	78.3 Å²	78.3	11%	0.109	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	171.2	179.6	-66.7	-170.2	-176.8	-90	8.9	109.7	P1215 F1216 V1222 Y1236 D1237	P1215-R1224 VanDerWaalsContact CA-O 3.3Å; P1215-R1224 WeakPolarHBondContact CA-O 3.27Å; F1216-R1224 HydrophobicContact CD1-CB 4.49Å; F1216-R1224 HydrophobicContact CE1-CB 3.94Å; F1216-R1224 HydrophobicContact CE2-CB 4.09Å; F1216-R1224 HydrophobicContact CZ-CB 3.7Å; F1216-R1224 PolarHBondContact N-O 3.5Å; F1216-R1224 PolarHBondContact O-N 3.13Å; V1222-R1224 PolarHBondContact O-N 2.69Å; R1224-Y1236 HydrophobicContact CB-CD1 4.5Å; R1224-Y1236 PolarHBondContact NH1-O 3.01Å; R1224-Y1236 VanDerWaalsContact NH1-O 3.16Å; R1224-D1237 IonicContact CZ-OD1 2.75Å; R1224-D1237 IonicContact NH1-OD1 2.74Å; R1224-D1237 PolarHBondContact NH1-OD1 3.27Å; R1224-D1237 IonicContact NH2-OD1 3.94Å; R1224-D1237 PolarHBondContact NH2-OD1 3.33Å
1225	V	80.5	Confident	72.7	Confident	56 Å²	56	77.3 Å²	77.3	34%	0.339	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.4	-169.2	-167.7	0	0	0	0	109	L1213 Y1236	L1213-V1225 HydrophobicContact CB-CG1 3.51Å; L1213-V1225 WeakPolarHBondContact O-CG1 3.17Å; V1225-Y1236 WeakPolarHBondContact O-CE1 3.49Å
1226	G	73	Confident	71.6	Confident	7 Å²	7	80.2 Å²	80.2	7%	0.072	41%	0.41	C	S	.	.			trans	-84.9	-149.3	-176.6	0	0	0	0	0	114.2	D1214 R1228	D1214-G1226 PolarHBondContact O-N 2.92Å; G1226-R1228 PolarHBondContact O-N 2.97Å
1227	G	70.7	Confident	70.4	Confident	26 Å²	26	80.6 Å²	80.6	27%	0.268	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	-116.6	173.8	0	0	0	0	0	114.9	D1214 I1229 R1231	D1214-G1227 PolarHBondContact OD2-N 3.08Å; G1227-I1229 VanDerWaalsContact C-N 3.35Å; G1227-I1229 PolarHBondContact O-N 2.59Å; G1227-R1231 PolarHBondContact O-N 2.86Å
1228	R	64.2	Low	68.7	Low	200 Å²	200	83.5 Å²	83.5	76%	0.755	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-32.2	-169.3	-69.6	-175.5	-172.9	178.1	2.9	113.3	G1226 R1231 F1232	G1226-R1228 PolarHBondContact O-N 2.97Å; R1228-R1231 PolarHBondContact O-N 2.82Å; R1228-F1232 PolarHBondContact O-N 3.02Å
1229	I	60.1	Low	68.1	Low	68 Å²	68	86.9 Å²	86.9	35%	0.349	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-45	-178.9	-66.8	172.3	0	0	0	110	G1227 R1231 F1232 Y1236	G1227-I1229 VanDerWaalsContact C-N 3.35Å; G1227-I1229 PolarHBondContact O-N 2.59Å; I1229-R1231 VanDerWaalsContact C-N 3.27Å; I1229-R1231 PolarHBondContact O-N 3.35Å; I1229-F1232 WeakPolarHBondContact O-CB 3.29Å; I1229-F1232 PolarHBondContact O-N 3.09Å; I1229-Y1236 HydrophobicContact CG2-CD1 4.28Å; I1229-Y1236 HydrophobicContact CG2-CE1 4.41Å
1230	E	60.9	Low	67.7	Low	128 Å²	128	83.1 Å²	83.1	60%	0.598	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-59.6	-39.4	176.4	-166.2	174.8	-144.7	0	0	111.6	F1232 Y1236	E1230-F1232 VanDerWaalsContact C-N 3.26Å; E1230-F1232 PolarHBondContact O-N 2.98Å; E1230-Y1236 WeakPolarHBondContact CG-OH 3.4Å; E1230-Y1236 PolarHBondContact OE1-OH 2.8Å
1231	R	60.2	Low	67.4	Low	228 Å²	228	85.6 Å²	85.6	86%	0.86	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-71.4	-14.5	175.6	-65	-176.7	-174.3	-170.5	1.8	114.4	G1227 R1228 I1229	G1227-R1231 PolarHBondContact O-N 2.86Å; R1228-R1231 PolarHBondContact O-N 2.82Å; I1229-R1231 VanDerWaalsContact C-N 3.27Å; I1229-R1231 PolarHBondContact O-N 3.35Å
1232	F	58.3	Low	66.6	Low	141 Å²	141	82.4 Å²	82.4	62%	0.618	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-92.8	-11	-176.5	-133.8	-93.5	0	0	0	113.4	R1228 I1229 E1230 L1234	R1228-F1232 PolarHBondContact O-N 3.02Å; I1229-F1232 WeakPolarHBondContact O-CB 3.29Å; I1229-F1232 PolarHBondContact O-N 3.09Å; E1230-F1232 VanDerWaalsContact C-N 3.26Å; E1230-F1232 PolarHBondContact O-N 2.98Å; F1232-L1234 HydrophobicContact CD1-CD1 4.11Å; F1232-L1234 HydrophobicContact CD1-CG 4.4Å; F1232-L1234 PolarHBondContact O-N 3.31Å
1233	G	54.4	Low	65.4	Low	73 Å²	73	87.3 Å²	87.3	75%	0.753	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	14.4	-179.6	0	0	0	0	0	114.8
1234	L	53	Low	63.9	Low	94 Å²	94	91.9 Å²	91.9	49%	0.492	49%	0.485	S	S	.	.			trans	-74.6	146	169.8	-75.5	165.4	0	0	0	109.4	F1232 A1238	F1232-L1234 HydrophobicContact CD1-CD1 4.11Å; F1232-L1234 HydrophobicContact CD1-CG 4.4Å; F1232-L1234 PolarHBondContact O-N 3.31Å; L1234-A1238 HydrophobicContact CB-CB 4.48Å; L1234-A1238 HydrophobicContact CD2-CB 4.22Å
1235	S	61.5	Low	62.3	Low	76 Å²	76	96.4 Å²	96.4	53%	0.531	51%	0.512	S	S	.	.			trans	-62.5	142.8	166.8	65.5	0	0	0	0	109	D1237 A1238	S1235-D1237 PolarHBondContact O-N 3.08Å; S1235-A1238 WeakPolarHBondContact O-CB 3.01Å; S1235-A1238 PolarHBondContact O-N 3.31Å
1236	Y	64	Low	60.9	Low	78 Å²	78	99.5 Å²	99.5	31%	0.306	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-8.6	177.5	-74.7	-74.7	0	0	0	115.4	F1216 R1224 V1225 I1229 E1230	F1216-Y1236 AromaticContact CE1-CE1 3.89Å; F1216-Y1236 HydrophobicContact CE1-CE1 3.89Å; F1216-Y1236 HydrophobicContact CZ-CD1 4.4Å; F1216-Y1236 AromaticContact CZ-CE1 3.68Å; F1216-Y1236 HydrophobicContact CZ-CE1 3.68Å; F1216-Y1236 HydrophobicContact CZ-CE2 4.07Å; F1216-Y1236 AromaticContact CZ-CZ 3.49Å; F1216-Y1236 VanDerWaalsContact CZ-CZ 3.49Å; F1216-Y1236 WeakPolarHBondContact CZ-OH 3.28Å; R1224-Y1236 HydrophobicContact CB-CD1 4.5Å; R1224-Y1236 PolarHBondContact NH1-O 3.01Å; R1224-Y1236 VanDerWaalsContact NH1-O 3.16Å; V1225-Y1236 WeakPolarHBondContact O-CE1 3.49Å; I1229-Y1236 HydrophobicContact CG2-CD1 4.28Å; I1229-Y1236 HydrophobicContact CG2-CE1 4.41Å; E1230-Y1236 WeakPolarHBondContact CG-OH 3.4Å; E1230-Y1236 PolarHBondContact OE1-OH 2.8Å
1237	D	61.8	Low	59.9	Low	74 Å²	74	107.3 Å²	107.3	40%	0.396	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.2	-4.6	175.3	-64.1	-14.1	0	0	0	113.2	R1176 R1224 S1235	R1176-D1237 IonicContact CZ-OD2 3.28Å; R1176-D1237 VanDerWaalsContact CZ-OD2 3.29Å; R1176-D1237 IonicContact NE-OD2 2.64Å; R1176-D1237 PolarHBondContact NE-OD2 3.23Å; R1176-D1237 IonicContact NH2-OD2 3.9Å; R1176-D1237 PolarHBondContact NH2-OD2 3.08Å; R1224-D1237 IonicContact CZ-OD1 2.75Å; R1224-D1237 IonicContact NH1-OD1 2.74Å; R1224-D1237 PolarHBondContact NH1-OD1 3.27Å; R1224-D1237 IonicContact NH2-OD1 3.94Å; R1224-D1237 PolarHBondContact NH2-OD1 3.33Å; S1235-D1237 PolarHBondContact O-N 3.08Å
1238	A	49.4	Very low	58.9	Low	101 Å²	101	114.6 Å²	114.6	84%	0.835	59%	0.59	S	S	*	*			trans	-91.3	0	174.7	0	0	0	0	0	110.3	L1234 S1235	L1234-A1238 HydrophobicContact CB-CB 4.48Å; L1234-A1238 HydrophobicContact CD2-CB 4.22Å; S1235-A1238 WeakPolarHBondContact O-CB 3.01Å; S1235-A1238 PolarHBondContact O-N 3.31Å

Retrieved 1,238 of 1,238 residues in 8114.1 ms (Link to these results)

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