A0A093K541_STRCA Loading...

Origin recognition complex subunit 1

Component of the origin recognition complex (ORC) that binds origins of replication. DNA-binding is ATP-dependent, however specific DNA sequences that define origins of replication have not been identified so far. ORC is required to assemble the pre-replication complex necessary to initiate DNA replication.

AlphaFold DB , UniProt , Accession A0A093K541, Species STRCA (Struthio camelus australis), Gene n/a, Length 858 aa.

						>A0A093K541_STRCA|A0A093K541
MNTRHQSKRIYSWYGKPMSSDRKLRTLQYKGILIKLERSQTETCIQLGEFVLVEGENADQPFVAQLLDLYEDGAQQKHAIVQWFSHITEIPQNKRKLLKREVSPQEVFFDQVPGYDTDIAVETIIKSVMVIPLHLGEALPIILSKEQTFYVKQSWDGKCFKSLSPEVFSKLKEAKKKTGGSPNSLTKSPLYPLDIICSPKKETERVVWSVTKKKNVEMEIESKHSASKSSLSKERHSQRVANGMKTPTARKKLELNSPTKSPKGKLPGSDVLELLGDDCDAIAMSEPSATKRKVKFTGVLGSPPKMSCASEEPKTTFNSTEHEQRLNDTIRLSPYSKVSDSSEKDKNLHMGEDTICLTGHQKLGSRSPVVTPRSHRKCAQKTSARIAEQMSLLNTLESDEEEDFLSSSGSSYSRSEEEESEVLCTSKRDSKSSREFSTPKSSRKSSVHTPAKTPKKTPLPGTPKTPRNATPEIPKRSHAAQKPASILEEARLRLHVSAIPESLPCREEEFQDIYNFVESKLIDGTGGCMYISGVPGTGKTATVHEVIRCLQQAAENDELPSFQFIEINGMKLTDPHQAYVQILELLTGQKVTATHAAALLAKLFSTPGPKRKSTLLIVDELDLLWTRKQNVMYNLFDWPTQKHSKLIILAIANTMDLPERIMMNRVASRLGLTRMSFQPYTYKQLQQIISSRLSNMKAFEEDAIQLVSRKVAALSGDARRCLDICRRATEICEFASQKNTCGIVRMAHITEAIDEMFSSPYINAIRSASLHEQIFLKAILAEFRRAGVEEATVQQVYHQHVALCRIEGMQSPTVSEIMAVCSRLGACRLLLVESSNKYLHMRVRLNISQDDVMYALKD
					

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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	34.7	Very low	53.5	Low	198 Å²	198	119.5 Å²	119.5	98%	0.975	57%	0.566	S	S	*	*				0	79.1	0	-78	-177.7	168.3	0	0	110.9	E254	M1-E254 PolarHBondContact N-OE1 3.07Å
2	N	25.8	Very low	56.1	Low	137 Å²	137	113.6 Å²	113.6	73%	0.733	55%	0.547	S	S	*	.				-168.3	72.6	112.3	-103.3	7.6	0	0	0	108.7	R4 E254	N2-R4 PolarHBondContact O-N 3.45Å; N2-E254 PolarHBondContact N-OE1 3.34Å
3	T	32.5	Very low	58.4	Low	103 Å²	103	107.3 Å²	107.3	63%	0.632	51%	0.514	S	S	*	.			trans	-66.4	79.3	168	50.9	0	0	0	0	109.3	H5 E254	T3-H5 PolarHBondContact O-N 3.41Å; T3-H5 VanDerWaalsContact O-N 3.08Å; T3-E254 VanDerWaalsContact CG2-OE2 3.23Å; T3-E254 WeakPolarHBondContact CG2-OE2 3.4Å
4	R	37.8	Very low	60.1	Low	225 Å²	225	106.6 Å²	106.6	85%	0.849	51%	0.505	S	S	*	.			trans	-52.6	117.9	161.4	-110.8	-179.3	172.3	171	-3.1	106	N2 Q6	N2-R4 PolarHBondContact O-N 3.45Å; R4-Q6 VanDerWaalsContact C-N 3.3Å; R4-Q6 PolarHBondContact O-N 3.33Å
5	H	38.4	Very low	61.3	Low	158 Å²	158	103.3 Å²	103.3	73%	0.731	51%	0.511	S	S	*	.			trans	-63.1	95.1	172.4	-75.3	-68.3	0	0	0	108.4	T3 S7	T3-H5 PolarHBondContact O-N 3.41Å; T3-H5 VanDerWaalsContact O-N 3.08Å; H5-S7 PolarHBondContact O-N 3.15Å
6	Q	51.4	Low	62	Low	129 Å²	129	108.4 Å²	108.4	60%	0.603	53%	0.529	S	S	*	.			trans	-60.6	109.9	161.3	-73.4	-174.6	-21.9	0	0	106.7	R4 K8 E54	R4-Q6 VanDerWaalsContact C-N 3.3Å; R4-Q6 PolarHBondContact O-N 3.33Å; Q6-K8 PolarHBondContact O-N 3.04Å; Q6-E54 PolarHBondContact NE2-OE1 2.82Å
7	S	56.7	Low	62.9	Low	39 Å²	39	105.9 Å²	105.9	27%	0.273	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-55.6	124.2	173.8	-59.2	0	0	0	0	108.5	H5 R9 L36	H5-S7 PolarHBondContact O-N 3.15Å; S7-R9 PolarHBondContact O-N 3.2Å; S7-L36 WeakPolarHBondContact O-CD1 3.38Å
8	K	66.8	Low	63.4	Low	135 Å²	135	107.3 Å²	107.3	59%	0.587	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-57.5	127.7	-174.3	-162	-177.1	-177.1	-175	0	109.6	Q6 E37	Q6-K8 PolarHBondContact O-N 3.04Å; K8-E37 HydrophobicContact CB-CB 4.03Å; K8-E37 HydrophobicContact CB-CG 4.46Å; K8-E37 VanDerWaalsContact CB-OE2 3.31Å; K8-E37 WeakPolarHBondContact CB-OE2 3.48Å; K8-E37 VanDerWaalsContact CD-OE1 3.29Å; K8-E37 WeakPolarHBondContact CD-OE1 3.48Å; K8-E37 VanDerWaalsContact O-CB 3.29Å; K8-E37 WeakPolarHBondContact O-CB 3.42Å; K8-E37 PolarHBondContact O-N 3.49Å
9	R	79.3	Confident	63.9	Low	70 Å²	70	104.3 Å²	104.3	26%	0.264	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	139.5	172.3	-67.9	176.8	-167.5	123.5	11.9	108.9	S7 Y11 I34 K35 L36 E54	S7-R9 PolarHBondContact O-N 3.2Å; R9-Y11 HydrophobicContact CB-CD2 4.39Å; R9-Y11 HydrophobicContact CB-CE1 4.4Å; R9-Y11 HydrophobicContact CB-CE2 3.62Å; R9-Y11 WeakPolarHBondContact CD-OH 3.48Å; R9-I34 HydrophobicContact CB-CG2 4.27Å; R9-I34 HydrophobicContact CG-CG2 4.18Å; R9-K35 CarbonylContact C-O 3.54Å; R9-K35 WeakPolarHBondContact CA-O 3.36Å; R9-L36 HydrophobicContact CG-CD1 3.74Å; R9-E54 IonicContact NH1-OE2 3.02Å; R9-E54 PolarHBondContact NH1-OE2 3.44Å
10	I	80.2	Confident	64.5	Low	87 Å²	87	102.7 Å²	102.7	45%	0.446	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.4	173.7	-57.6	176.4	0	0	0	106.8	K35	I10-K35 HydrophobicContact CB-CB 4.46Å; I10-K35 PolarHBondContact N-O 2.88Å; I10-K35 PolarHBondContact O-N 3.25Å
11	Y	84.9	Confident	64.9	Low	33 Å²	33	100.9 Å²	100.9	13%	0.129	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	104.3	-173.8	-59.3	-88.8	0	0	0	111	R9 L33 I34 K77 V121 E122 I124	R9-Y11 HydrophobicContact CB-CD2 4.39Å; R9-Y11 HydrophobicContact CB-CE1 4.4Å; R9-Y11 HydrophobicContact CB-CE2 3.62Å; R9-Y11 WeakPolarHBondContact CD-OH 3.48Å; Y11-L33 WeakPolarHBondContact CA-O 3.28Å; Y11-I34 HydrophobicContact CD1-CD1 4.35Å; Y11-I34 HydrophobicContact CD1-CG1 3.88Å; Y11-I34 HydrophobicContact CD1-CG2 4.4Å; Y11-I34 HydrophobicContact CE1-CD1 3.92Å; Y11-I34 HydrophobicContact CE1-CG1 3.91Å; Y11-I34 HydrophobicContact CE1-CG2 4.03Å; Y11-K77 PolarHBondContact O-NZ 2.88Å; Y11-V121 HydrophobicContact CD1-CG1 3.86Å; Y11-V121 HydrophobicContact CG-CG1 4.15Å; Y11-E122 HydrophobicContact CD2-CG 4.3Å; Y11-E122 HydrophobicContact CE2-CB 4.16Å; Y11-E122 HydrophobicContact CE2-CG 4.42Å; Y11-E122 PolarHBondContact OH-O 3.38Å; Y11-I124 WeakPolarHBondContact CE1-O 3.41Å; Y11-I124 PolarHBondContact OH-O 3.35Å
12	S	84.4	Confident	66.4	Low	49 Å²	49	102.6 Å²	102.6	34%	0.343	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	161.5	172.2	43.7	0	0	0	0	111.2	L33	S12-L33 PolarHBondContact N-O 2.73Å; S12-L33 PolarHBondContact O-N 2.96Å; S12-L33 VanDerWaalsContact OG-CB 3.29Å; S12-L33 WeakPolarHBondContact OG-CB 3.45Å
13	W	87	Confident	68.3	Low	32 Å²	32	105.3 Å²	105.3	12%	0.121	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	142.3	176.3	-67.2	125.4	0	0	0	111	G15 Y29 I32 L69 E71 K77 V121	W13-G15 PolarHBondContact O-N 2.79Å; W13-Y29 HydrophobicContact CB-CD1 3.56Å; W13-Y29 HydrophobicContact CB-CE1 3.82Å; W13-Y29 HydrophobicContact CB-CG 4.15Å; W13-Y29 AromaticContact CD1-CE1 3.63Å; W13-Y29 AromaticContact CD1-CE2 3.97Å; W13-Y29 AromaticContact CD1-CZ 3.62Å; W13-Y29 AromaticContact CD2-CD1 3.89Å; W13-Y29 HydrophobicContact CD2-CD1 3.89Å; W13-Y29 AromaticContact CD2-CD2 3.66Å; W13-Y29 HydrophobicContact CD2-CD2 3.66Å; W13-Y29 HydrophobicContact CD2-CE1 4.25Å; W13-Y29 HydrophobicContact CD2-CE2 4.07Å; W13-Y29 AromaticContact CD2-CG 3.57Å; W13-Y29 HydrophobicContact CD2-CG 3.57Å; W13-Y29 AromaticContact CE2-CD2 3.58Å; W13-Y29 AromaticContact CE2-CE2 3.68Å; W13-Y29 HydrophobicContact CE3-CD1 4.32Å; W13-Y29 AromaticContact CE3-CD2 3.95Å; W13-Y29 HydrophobicContact CE3-CD2 3.95Å; W13-Y29 AromaticContact CE3-CG 3.7Å; W13-Y29 HydrophobicContact CE3-CG 3.7Å; W13-Y29 AromaticContact CG-CD1 3.58Å; W13-Y29 HydrophobicContact CG-CD1 3.58Å; W13-Y29 HydrophobicContact CG-CD2 4.13Å; W13-Y29 AromaticContact CG-CE1 3.67Å; W13-Y29 HydrophobicContact CG-CE1 3.67Å; W13-Y29 HydrophobicContact CG-CE2 4.24Å; W13-Y29 AromaticContact CG-CG 3.81Å; W13-Y29 HydrophobicContact CG-CG 3.81Å; W13-Y29 HydrophobicContact CH2-CD2 4.1Å; W13-Y29 AromaticContact CZ2-CD2 3.81Å; W13-Y29 HydrophobicContact CZ2-CD2 3.81Å; W13-Y29 HydrophobicContact CZ2-CE2 4.06Å; W13-Y29 HydrophobicContact CZ3-CD2 4.17Å; W13-Y29 HydrophobicContact CZ3-CG 4.25Å; W13-Y29 AromaticContact NE1-CE2 3.64Å; W13-Y29 AromaticContact NE1-CZ 3.71Å; W13-I32 HydrophobicContact CE3-CG2 3.64Å; W13-I32 HydrophobicContact CZ3-CG2 3.5Å; W13-I32 VanDerWaalsContact CZ3-CG2 3.5Å; W13-L69 HydrophobicContact CH2-CB 4.38Å; W13-L69 HydrophobicContact CZ3-CB 3.89Å; W13-L69 HydrophobicContact CZ3-CD1 4.25Å; W13-L69 HydrophobicContact CZ3-CD2 4.04Å; W13-L69 HydrophobicContact CZ3-CG 4.29Å; W13-E71 HydrophobicContact CZ2-CB 3.85Å; W13-E71 PolarHBondContact NE1-OE2 2.9Å; W13-K77 HydrophobicContact CD2-CD 4.41Å; W13-K77 HydrophobicContact CH2-CB 3.93Å; W13-K77 HydrophobicContact CH2-CD 4.41Å; W13-K77 HydrophobicContact CH2-CG 4.3Å; W13-K77 HydrophobicContact CZ2-CB 3.64Å; W13-K77 HydrophobicContact CZ2-CD 3.72Å; W13-K77 HydrophobicContact CZ2-CG 3.54Å; W13-V121 HydrophobicContact CH2-CG2 4.15Å; W13-V121 HydrophobicContact CZ3-CG2 4.4Å
14	Y	81.1	Confident	69.8	Low	97 Å²	97	106 Å²	106	38%	0.38	51%	0.512	S	S	.	.	S	Bend	trans	-86.6	96.5	175.4	-173.2	-108.8	0	0	0	110.9	G31 L33 C44	Y14-G31 WeakPolarHBondContact CB-O 3.22Å; Y14-G31 PolarHBondContact N-O 3.45Å; Y14-L33 HydrophobicContact CD2-CD1 4.05Å; Y14-L33 HydrophobicContact CD2-CD2 4.12Å; Y14-L33 HydrophobicContact CD2-CG 3.98Å; Y14-C44 HydrophobicContact CD2-CB 4.48Å; Y14-C44 WeakPolarHBondContact CD2-SG 3.47Å
15	G	78.6	Confident	71.5	Confident	58 Å²	58	105 Å²	105	60%	0.598	51%	0.508	S	S	*	.	S	Bend	trans	91.3	-166.7	176.2	0	0	0	0	0	114.6	W13	W13-G15 PolarHBondContact O-N 2.79Å
16	K	73.3	Confident	73.5	Confident	185 Å²	185	98.4 Å²	98.4	80%	0.804	48%	0.479	S	S	*	.	S	Bend	trans	-79.5	154.8	175.1	-66.7	-176	-179.5	-178	0	110.3	M18	K16-M18 PolarHBondContact O-N 2.66Å
17	P	76.9	Confident	75	Confident	65 Å²	65	95.2 Å²	95.2	42%	0.422	47%	0.465	S	S	.	.			trans	-58.5	137.4	173.7	24.8	-33.9	0	0	0	111	L27 Q28 Y29	P17-L27 HydrophobicContact CB-CB 4.2Å; P17-Q28 CarbonylContact C-O 3.48Å; P17-Q28 VanDerWaalsContact CA-O 3.24Å; P17-Q28 WeakPolarHBondContact CA-O 2.9Å; P17-Y29 HydrophobicContact CB-CD1 4.38Å; P17-Y29 HydrophobicContact CB-CE1 3.91Å; P17-Y29 HydrophobicContact CG-CE1 4.42Å
18	M	72.2	Confident	76.3	Confident	132 Å²	132	96.7 Å²	96.7	65%	0.65	47%	0.468	S	S	*	.	S	Bend	trans	-80.1	-33.6	-178.1	-73.6	-73.2	-62.2	0	0	112.2	K16 Q28 K30	K16-M18 PolarHBondContact O-N 2.66Å; M18-Q28 PolarHBondContact N-O 2.89Å; M18-K30 HydrophobicContact CG-CB 4Å; M18-K30 HydrophobicContact SD-CB 4.26Å; M18-K30 HydrophobicContact SD-CD 4.34Å
19	S	72.6	Confident	77.2	Confident	50 Å²	50	91.2 Å²	91.2	35%	0.35	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	167.6	179.5	92.3	0	0	0	0	110.1	Q28	S19-Q28 PolarHBondContact O-N 3.14Å; S19-Q28 VanDerWaalsContact O-N 3.14Å; S19-Q28 PolarHBondContact OG-OE1 3.5Å
20	S	75.1	Confident	77.3	Confident	72 Å²	72	92.9 Å²	92.9	50%	0.503	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	116	171.7	64.5	0	0	0	0	110	R22 T26 L27	S20-R22 PolarHBondContact O-N 3.33Å; S20-T26 WeakPolarHBondContact CA-O 3.46Å; S20-L27 VanDerWaalsContact CB-CD2 3.48Å
21	D	74.4	Confident	77.5	Confident	65 Å²	65	88.7 Å²	88.7	35%	0.348	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	110.3	171.7	-169.1	-21.4	0	0	0	109.8	K23 L24 R25 T26	D21-K23 PolarHBondContact O-N 3.22Å; D21-K23 WeakPolarHBondContact OD1-CB 3.45Å; D21-K23 PolarHBondContact OD1-N 3.06Å; D21-L24 HydrophobicContact CB-CB 4.34Å; D21-L24 PolarHBondContact O-N 3.2Å; D21-R25 VanDerWaalsContact O-CA 3.31Å; D21-R25 WeakPolarHBondContact O-CA 3.36Å; D21-R25 PolarHBondContact O-N 3.21Å; D21-T26 PolarHBondContact N-O 3.13Å; D21-T26 PolarHBondContact O-N 3.26Å
22	R	64.9	Low	77.7	Confident	233 Å²	233	87.2 Å²	87.2	88%	0.879	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.7	178.8	-66.9	-174.4	177.2	-172	-0.5	113.8	S20	S20-R22 PolarHBondContact O-N 3.33Å
23	K	65.4	Low	77.7	Confident	194 Å²	194	86.4 Å²	86.4	84%	0.843	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-43.6	177.6	-64.3	-178.4	176.9	-179.9	0	111.7	D21	D21-K23 PolarHBondContact O-N 3.22Å; D21-K23 WeakPolarHBondContact OD1-CB 3.45Å; D21-K23 PolarHBondContact OD1-N 3.06Å
24	L	64.6	Low	77.7	Confident	118 Å²	118	85.4 Å²	85.4	62%	0.618	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-15.4	-178.8	-60.3	178.3	0	0	0	113.4	D21 T26	D21-L24 HydrophobicContact CB-CB 4.34Å; D21-L24 PolarHBondContact O-N 3.2Å; L24-T26 HydrophobicContact CB-CG2 4.03Å; L24-T26 PolarHBondContact O-N 2.95Å
25	R	72.6	Confident	77.7	Confident	205 Å²	205	84.7 Å²	84.7	77%	0.774	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	25.8	-171.2	-55.7	-176.4	175.2	-170.6	-1.2	113.9	D21	D21-R25 VanDerWaalsContact O-CA 3.31Å; D21-R25 WeakPolarHBondContact O-CA 3.36Å; D21-R25 PolarHBondContact O-N 3.21Å
26	T	81.4	Confident	77.7	Confident	19 Å²	19	84.7 Å²	84.7	12%	0.117	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	147.2	178.6	53.1	0	0	0	0	111.9	S20 D21 L24 Y70 E71	S20-T26 WeakPolarHBondContact CA-O 3.46Å; D21-T26 PolarHBondContact N-O 3.13Å; D21-T26 PolarHBondContact O-N 3.26Å; L24-T26 HydrophobicContact CB-CG2 4.03Å; L24-T26 PolarHBondContact O-N 2.95Å; T26-Y70 HydrophobicContact CG2-CD2 3.6Å; T26-Y70 HydrophobicContact CG2-CE2 3.9Å; T26-E71 WeakPolarHBondContact CA-O 3.06Å
27	L	82.3	Confident	77.6	Confident	62 Å²	62	81.2 Å²	81.2	33%	0.325	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122	173.7	-63.2	179.7	0	0	0	109.3	P17 S20 Y29 Y70 E71	P17-L27 HydrophobicContact CB-CB 4.2Å; S20-L27 VanDerWaalsContact CB-CD2 3.48Å; L27-Y29 HydrophobicContact CB-CE2 3.71Å; L27-Y29 VanDerWaalsContact O-CD2 3.25Å; L27-Y29 WeakPolarHBondContact O-CD2 2.82Å; L27-Y29 WeakPolarHBondContact O-CE2 3.26Å; L27-Y70 CarbonylContact O-C 3.54Å; L27-Y70 WeakPolarHBondContact O-CA 3.45Å; L27-Y70 WeakPolarHBondContact O-CB 3.35Å; L27-E71 PolarHBondContact N-O 2.95Å; L27-E71 PolarHBondContact O-N 2.99Å
28	Q	84.6	Confident	76.9	Confident	69 Å²	69	86.9 Å²	86.9	32%	0.322	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	144.6	178.8	-75.6	177.4	-40.3	0	0	112.1	P17 M18 S19 D68 L69	P17-Q28 CarbonylContact C-O 3.48Å; P17-Q28 VanDerWaalsContact CA-O 3.24Å; P17-Q28 WeakPolarHBondContact CA-O 2.9Å; M18-Q28 PolarHBondContact N-O 2.89Å; S19-Q28 PolarHBondContact O-N 3.14Å; S19-Q28 VanDerWaalsContact O-N 3.14Å; S19-Q28 PolarHBondContact OG-OE1 3.5Å; Q28-D68 PolarHBondContact NE2-OD2 3.5Å; Q28-L69 CarbonylContact C-O 3.59Å; Q28-L69 VanDerWaalsContact CA-O 3.32Å; Q28-L69 WeakPolarHBondContact CA-O 3.46Å
29	Y	85	Confident	76.5	Confident	20 Å²	20	82.6 Å²	82.6	8%	0.078	38%	0.382	C	S	.	.			trans	-127	149.8	-176.2	-67.3	-89	0	0	0	113.1	W13 P17 L27 G31 L69 E71	W13-Y29 HydrophobicContact CB-CD1 3.56Å; W13-Y29 HydrophobicContact CB-CE1 3.82Å; W13-Y29 HydrophobicContact CB-CG 4.15Å; W13-Y29 AromaticContact CD1-CE1 3.63Å; W13-Y29 AromaticContact CD1-CE2 3.97Å; W13-Y29 AromaticContact CD1-CZ 3.62Å; W13-Y29 AromaticContact CD2-CD1 3.89Å; W13-Y29 HydrophobicContact CD2-CD1 3.89Å; W13-Y29 AromaticContact CD2-CD2 3.66Å; W13-Y29 HydrophobicContact CD2-CD2 3.66Å; W13-Y29 HydrophobicContact CD2-CE1 4.25Å; W13-Y29 HydrophobicContact CD2-CE2 4.07Å; W13-Y29 AromaticContact CD2-CG 3.57Å; W13-Y29 HydrophobicContact CD2-CG 3.57Å; W13-Y29 AromaticContact CE2-CD2 3.58Å; W13-Y29 AromaticContact CE2-CE2 3.68Å; W13-Y29 HydrophobicContact CE3-CD1 4.32Å; W13-Y29 AromaticContact CE3-CD2 3.95Å; W13-Y29 HydrophobicContact CE3-CD2 3.95Å; W13-Y29 AromaticContact CE3-CG 3.7Å; W13-Y29 HydrophobicContact CE3-CG 3.7Å; W13-Y29 AromaticContact CG-CD1 3.58Å; W13-Y29 HydrophobicContact CG-CD1 3.58Å; W13-Y29 HydrophobicContact CG-CD2 4.13Å; W13-Y29 AromaticContact CG-CE1 3.67Å; W13-Y29 HydrophobicContact CG-CE1 3.67Å; W13-Y29 HydrophobicContact CG-CE2 4.24Å; W13-Y29 AromaticContact CG-CG 3.81Å; W13-Y29 HydrophobicContact CG-CG 3.81Å; W13-Y29 HydrophobicContact CH2-CD2 4.1Å; W13-Y29 AromaticContact CZ2-CD2 3.81Å; W13-Y29 HydrophobicContact CZ2-CD2 3.81Å; W13-Y29 HydrophobicContact CZ2-CE2 4.06Å; W13-Y29 HydrophobicContact CZ3-CD2 4.17Å; W13-Y29 HydrophobicContact CZ3-CG 4.25Å; W13-Y29 AromaticContact NE1-CE2 3.64Å; W13-Y29 AromaticContact NE1-CZ 3.71Å; P17-Y29 HydrophobicContact CB-CD1 4.38Å; P17-Y29 HydrophobicContact CB-CE1 3.91Å; P17-Y29 HydrophobicContact CG-CE1 4.42Å; L27-Y29 HydrophobicContact CB-CE2 3.71Å; L27-Y29 VanDerWaalsContact O-CD2 3.25Å; L27-Y29 WeakPolarHBondContact O-CD2 2.82Å; L27-Y29 WeakPolarHBondContact O-CE2 3.26Å; Y29-G31 PolarHBondContact O-N 3.38Å; Y29-L69 PolarHBondContact N-O 3.31Å; Y29-E71 HydrophobicContact CD2-CB 4.49Å; Y29-E71 HydrophobicContact CE2-CB 3.65Å
30	K	81.1	Confident	76	Confident	105 Å²	105	89.4 Å²	89.4	46%	0.457	41%	0.408	S	S	.	.	S	Bend	trans	-77.5	-18.7	-176	-172.1	172.1	176.5	180	0	114.2	M18 L47	M18-K30 HydrophobicContact CG-CB 4Å; M18-K30 HydrophobicContact SD-CB 4.26Å; M18-K30 HydrophobicContact SD-CD 4.34Å; K30-L47 PolarHBondContact O-N 3.4Å
31	G	85.8	Confident	75.7	Confident	0 Å²	0	90.4 Å²	90.4	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179	174.6	-176.1	0	0	0	0	0	112.5	Y14 Y29 I45 L69	Y14-G31 WeakPolarHBondContact CB-O 3.22Å; Y14-G31 PolarHBondContact N-O 3.45Å; Y29-G31 PolarHBondContact O-N 3.38Å; G31-I45 CarbonylContact C-O 3.58Å; G31-I45 WeakPolarHBondContact CA-O 3.39Å; G31-L69 VanDerWaalsContact C-CD1 3.44Å
32	I	88.9	Confident	75.8	Confident	1 Å²	1	92 Å²	92	1%	0.005	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	149.9	173.4	54.7	176.6	0	0	0	110.7	W13 I34 C44 I45 L69 V121 I124	W13-I32 HydrophobicContact CE3-CG2 3.64Å; W13-I32 HydrophobicContact CZ3-CG2 3.5Å; W13-I32 VanDerWaalsContact CZ3-CG2 3.5Å; I32-I34 HydrophobicContact CD1-CD1 4.24Å; I32-I34 HydrophobicContact CD1-CG1 4.29Å; I32-C44 CarbonylContact O-C 3.59Å; I32-C44 WeakPolarHBondContact O-CA 3.35Å; I32-I45 HydrophobicContact CG1-CB 3.92Å; I32-I45 PolarHBondContact N-O 2.86Å; I32-I45 PolarHBondContact O-N 3.31Å; I32-L69 HydrophobicContact CG2-CD1 3.87Å; I32-L69 HydrophobicContact CG2-CD2 3.94Å; I32-V121 HydrophobicContact CD1-CG1 4.04Å; I32-V121 HydrophobicContact CG2-CG1 3.88Å; I32-V121 HydrophobicContact CG2-CG2 4.38Å; I32-I124 HydrophobicContact CD1-CB 4.38Å; I32-I124 HydrophobicContact CD1-CD1 3.74Å; I32-I124 HydrophobicContact CD1-CG2 4.17Å
33	L	84.8	Confident	76.6	Confident	32 Å²	32	83.8 Å²	83.8	17%	0.168	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.5	169.5	-78	164.1	0	0	0	108.2	Y11 S12 Y14 E42 C44	Y11-L33 WeakPolarHBondContact CA-O 3.28Å; S12-L33 PolarHBondContact N-O 2.73Å; S12-L33 PolarHBondContact O-N 2.96Å; S12-L33 VanDerWaalsContact OG-CB 3.29Å; S12-L33 WeakPolarHBondContact OG-CB 3.45Å; Y14-L33 HydrophobicContact CD2-CD1 4.05Å; Y14-L33 HydrophobicContact CD2-CD2 4.12Å; Y14-L33 HydrophobicContact CD2-CG 3.98Å; L33-E42 HydrophobicContact CD2-CB 4.45Å; L33-C44 HydrophobicContact CD2-CB 3.83Å
34	I	85.7	Confident	77.4	Confident	11 Å²	11	76.5 Å²	76.5	6%	0.056	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116	174.7	-50.9	-176	0	0	0	108.1	R9 Y11 I32 T43 I45 I124	R9-I34 HydrophobicContact CB-CG2 4.27Å; R9-I34 HydrophobicContact CG-CG2 4.18Å; Y11-I34 HydrophobicContact CD1-CD1 4.35Å; Y11-I34 HydrophobicContact CD1-CG1 3.88Å; Y11-I34 HydrophobicContact CD1-CG2 4.4Å; Y11-I34 HydrophobicContact CE1-CD1 3.92Å; Y11-I34 HydrophobicContact CE1-CG1 3.91Å; Y11-I34 HydrophobicContact CE1-CG2 4.03Å; I32-I34 HydrophobicContact CD1-CD1 4.24Å; I32-I34 HydrophobicContact CD1-CG1 4.29Å; I34-T43 PolarHBondContact N-O 3.29Å; I34-T43 PolarHBondContact O-N 2.79Å; I34-I45 HydrophobicContact CD1-CD1 3.63Å; I34-I45 HydrophobicContact CG1-CD1 4.43Å; I34-I124 HydrophobicContact CD1-CG2 3.96Å
35	K	81.8	Confident	78.4	Confident	82 Å²	82	70.9 Å²	70.9	36%	0.357	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132	175	-170	169.8	-163.9	156.7	0	110.1	R9 I10 E42	R9-K35 CarbonylContact C-O 3.54Å; R9-K35 WeakPolarHBondContact CA-O 3.36Å; I10-K35 HydrophobicContact CB-CB 4.46Å; I10-K35 PolarHBondContact N-O 2.88Å; I10-K35 PolarHBondContact O-N 3.25Å; K35-E42 HydrophobicContact CB-CG 4.18Å; K35-E42 HydrophobicContact CD-CG 3.93Å; K35-E42 WeakPolarHBondContact CD-OE1 3.42Å; K35-E42 VanDerWaalsContact CE-OE1 3.26Å; K35-E42 WeakPolarHBondContact CE-OE1 3.42Å; K35-E42 HydrophobicContact CG-CG 3.96Å; K35-E42 IonicContact NZ-OE1 3.93Å; K35-E42 PolarHBondContact NZ-OE1 3.47Å
36	L	79.1	Confident	78.9	Confident	58 Å²	58	64.8 Å²	64.8	30%	0.304	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.2	177.6	-156.1	70.8	0	0	0	109.4	S7 R9 R38 S39	S7-L36 WeakPolarHBondContact O-CD1 3.38Å; R9-L36 HydrophobicContact CG-CD1 3.74Å; L36-R38 PolarHBondContact O-N 2.99Å; L36-S39 PolarHBondContact O-N 3.49Å; L36-S39 VanDerWaalsContact O-O 3.07Å
37	E	69.8	Low	79	Confident	113 Å²	113	66.7 Å²	66.7	53%	0.528	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-12.4	-174	-172.2	176.4	-113.6	0	0	115	K8	K8-E37 HydrophobicContact CB-CB 4.03Å; K8-E37 HydrophobicContact CB-CG 4.46Å; K8-E37 VanDerWaalsContact CB-OE2 3.31Å; K8-E37 WeakPolarHBondContact CB-OE2 3.48Å; K8-E37 VanDerWaalsContact CD-OE1 3.29Å; K8-E37 WeakPolarHBondContact CD-OE1 3.48Å; K8-E37 VanDerWaalsContact O-CB 3.29Å; K8-E37 WeakPolarHBondContact O-CB 3.42Å; K8-E37 PolarHBondContact O-N 3.49Å
38	R	62.2	Low	78.7	Confident	183 Å²	183	64.8 Å²	64.8	69%	0.691	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	7.1	179.6	-61.9	-174.1	-179.5	-171	0	115.2	L36	L36-R38 PolarHBondContact O-N 2.99Å
39	S	65.3	Low	78.7	Confident	42 Å²	42	63.7 Å²	63.7	29%	0.294	32%	0.315	S	S	.	.			trans	-137.8	148.8	173.8	68	0	0	0	0	112.6	L36 T41	L36-S39 PolarHBondContact O-N 3.49Å; L36-S39 VanDerWaalsContact O-O 3.07Å; S39-T41 PolarHBondContact O-N 3.45Å; S39-T41 PolarHBondContact OG-OG1 3.44Å
40	Q	61.6	Low	78.7	Confident	193 Å²	193	63.1 Å²	63.1	90%	0.902	31%	0.313	S	S	*	.	S	Bend	trans	-79	-1.3	176.3	-64.8	-176.8	-7	0	0	113	E42	Q40-E42 PolarHBondContact O-N 2.78Å
41	T	68.6	Low	79	Confident	94 Å²	94	58.1 Å²	58.1	58%	0.577	29%	0.292	S	S	*	.			trans	-79.6	112.6	179.3	55.7	0	0	0	0	110.9	S39	S39-T41 PolarHBondContact O-N 3.45Å; S39-T41 PolarHBondContact OG-OG1 3.44Å
42	E	76.8	Confident	79	Confident	99 Å²	99	58.7 Å²	58.7	46%	0.463	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126	169.6	-64.5	-177.7	-172.9	0	0	109.6	L33 K35 Q40	L33-E42 HydrophobicContact CD2-CB 4.45Å; K35-E42 HydrophobicContact CB-CG 4.18Å; K35-E42 HydrophobicContact CD-CG 3.93Å; K35-E42 WeakPolarHBondContact CD-OE1 3.42Å; K35-E42 VanDerWaalsContact CE-OE1 3.26Å; K35-E42 WeakPolarHBondContact CE-OE1 3.42Å; K35-E42 HydrophobicContact CG-CG 3.96Å; K35-E42 IonicContact NZ-OE1 3.93Å; K35-E42 PolarHBondContact NZ-OE1 3.47Å; Q40-E42 PolarHBondContact O-N 2.78Å
43	T	80.7	Confident	78.8	Confident	59 Å²	59	58.8 Å²	58.8	36%	0.362	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	110.2	175.5	-55.1	0	0	0	0	109.2	I34 I45	I34-T43 PolarHBondContact N-O 3.29Å; I34-T43 PolarHBondContact O-N 2.79Å; T43-I45 HydrophobicContact CG2-CG1 4.19Å
44	C	82.6	Confident	78.6	Confident	41 Å²	41	60 Å²	60	28%	0.277	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	136	168.1	-173.4	0	0	0	0	109.7	Y14 I32 L33	Y14-C44 HydrophobicContact CD2-CB 4.48Å; Y14-C44 WeakPolarHBondContact CD2-SG 3.47Å; I32-C44 CarbonylContact O-C 3.59Å; I32-C44 WeakPolarHBondContact O-CA 3.35Å; L33-C44 HydrophobicContact CD2-CB 3.83Å
45	I	84.9	Confident	77.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.3	173.6	-54.1	-178.1	0	0	0	108.1	G31 I32 I34 T43 E49 V51 L66 I124	G31-I45 CarbonylContact C-O 3.58Å; G31-I45 WeakPolarHBondContact CA-O 3.39Å; I32-I45 HydrophobicContact CG1-CB 3.92Å; I32-I45 PolarHBondContact N-O 2.86Å; I32-I45 PolarHBondContact O-N 3.31Å; I34-I45 HydrophobicContact CD1-CD1 3.63Å; I34-I45 HydrophobicContact CG1-CD1 4.43Å; T43-I45 HydrophobicContact CG2-CG1 4.19Å; I45-E49 VanDerWaalsContact CA-OE2 3.31Å; I45-E49 WeakPolarHBondContact CA-OE2 3.34Å; I45-E49 HydrophobicContact CG2-CB 4.25Å; I45-V51 HydrophobicContact CD1-CG1 4.13Å; I45-V51 HydrophobicContact CG2-CG1 3.73Å; I45-L66 HydrophobicContact CG2-CD2 4.22Å; I45-I124 HydrophobicContact CD1-CG2 4.14Å
46	Q	84.9	Confident	76.8	Confident	77 Å²	77	61.2 Å²	61.2	36%	0.36	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	160.8	-175.3	-61.9	-171.8	35.4	0	0	112.9	G48 E49	Q46-G48 PolarHBondContact O-N 2.68Å; Q46-E49 PolarHBondContact N-OE2 3.41Å; Q46-E49 WeakPolarHBondContact O-CB 3.35Å; Q46-E49 PolarHBondContact O-N 2.88Å; Q46-E49 VanDerWaalsContact O-N 3.17Å
47	L	81.9	Confident	75.9	Confident	60 Å²	60	62.7 Å²	62.7	31%	0.314	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	132.1	174.6	-60	-175.2	0	0	0	111.7	K30 L66 L69	K30-L47 PolarHBondContact O-N 3.4Å; L47-L66 HydrophobicContact CD2-CD2 4.19Å; L47-L66 HydrophobicContact CD2-CG 3.98Å; L47-L69 HydrophobicContact CD2-CB 4.02Å; L47-L69 HydrophobicContact CD2-CD1 3.77Å; L47-L69 HydrophobicContact CD2-CG 3.61Å
48	G	77	Confident	75.2	Confident	21 Å²	21	61 Å²	61	22%	0.216	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.4	-11.2	-175.6	0	0	0	0	0	114.9	Q46 Q65 L66	Q46-G48 PolarHBondContact O-N 2.68Å; G48-Q65 PolarHBondContact O-NE2 3.07Å; G48-L66 VanDerWaalsContact CA-O 3.31Å; G48-L66 WeakPolarHBondContact CA-O 3.38Å; G48-L66 PolarHBondContact N-O 3.44Å
49	E	84.4	Confident	75	Confident	46 Å²	46	59.3 Å²	59.3	22%	0.215	33%	0.33	C	S	.	.			trans	-78	161	174.3	-62.7	-171	137.2	0	0	112.3	I45 Q46 L66	I45-E49 VanDerWaalsContact CA-OE2 3.31Å; I45-E49 WeakPolarHBondContact CA-OE2 3.34Å; I45-E49 HydrophobicContact CG2-CB 4.25Å; Q46-E49 PolarHBondContact N-OE2 3.41Å; Q46-E49 WeakPolarHBondContact O-CB 3.35Å; Q46-E49 PolarHBondContact O-N 2.88Å; Q46-E49 VanDerWaalsContact O-N 3.17Å; E49-L66 PolarHBondContact O-N 3.15Å
50	F	85.7	Confident	75.1	Confident	9 Å²	9	62.7 Å²	62.7	4%	0.039	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	144	177	-50.7	-90.4	0	0	0	110.5	A64 Q65 F84 S127 V128 V130 L171 A174	F50-A64 CarbonylContact C-O 3.56Å; F50-A64 VanDerWaalsContact CA-O 3.3Å; F50-A64 WeakPolarHBondContact CA-O 3.3Å; F50-Q65 HydrophobicContact CD1-CB 3.6Å; F50-Q65 HydrophobicContact CD1-CG 3.84Å; F50-Q65 HydrophobicContact CE1-CB 3.71Å; F50-Q65 HydrophobicContact CE1-CG 3.72Å; F50-Q65 HydrophobicContact CZ-CG 4.33Å; F50-F84 HydrophobicContact CD1-CE2 4.09Å; F50-F84 HydrophobicContact CD1-CZ 4.31Å; F50-F84 HydrophobicContact CE1-CE2 4.07Å; F50-F84 AromaticContact CE1-CZ 3.86Å; F50-F84 HydrophobicContact CE1-CZ 3.86Å; F50-S127 CarbonylContact O-C 3.52Å; F50-S127 VanDerWaalsContact O-CA 3.23Å; F50-S127 WeakPolarHBondContact O-CA 3.36Å; F50-V128 HydrophobicContact CB-CG2 3.97Å; F50-V128 PolarHBondContact O-N 3.37Å; F50-V130 HydrophobicContact CB-CB 4.35Å; F50-V130 HydrophobicContact CB-CG2 3.6Å; F50-V130 HydrophobicContact CD1-CB 3.7Å; F50-V130 HydrophobicContact CD1-CG1 4.37Å; F50-V130 HydrophobicContact CD1-CG2 3.55Å; F50-V130 HydrophobicContact CD2-CB 3.74Å; F50-V130 HydrophobicContact CD2-CG2 3.96Å; F50-V130 HydrophobicContact CE1-CB 3.84Å; F50-V130 HydrophobicContact CE1-CG1 4.24Å; F50-V130 HydrophobicContact CE1-CG2 4.21Å; F50-V130 HydrophobicContact CE2-CB 3.89Å; F50-V130 HydrophobicContact CG-CB 3.65Å; F50-V130 HydrophobicContact CG-CG2 3.41Å; F50-V130 VanDerWaalsContact CG-CG2 3.41Å; F50-V130 HydrophobicContact CZ-CB 3.94Å; F50-V130 HydrophobicContact CZ-CG1 4.5Å; F50-L171 HydrophobicContact CE1-CD2 3.74Å; F50-L171 HydrophobicContact CZ-CD2 3.66Å; F50-A174 HydrophobicContact CE2-CB 4.24Å; F50-A174 HydrophobicContact CZ-CB 4.32Å
51	V	87.2	Confident	76	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	153.5	-174.5	-63.8	0	0	0	0	111.4	I45 V53 A64 I124 K126	I45-V51 HydrophobicContact CD1-CG1 4.13Å; I45-V51 HydrophobicContact CG2-CG1 3.73Å; V51-V53 HydrophobicContact CG2-CG2 4.1Å; V51-A64 HydrophobicContact CG2-CB 4.26Å; V51-A64 PolarHBondContact N-O 2.7Å; V51-A64 PolarHBondContact O-N 3.35Å; V51-I124 HydrophobicContact CB-CG2 4Å; V51-I124 HydrophobicContact CG1-CG2 4.02Å; V51-K126 WeakPolarHBondContact CA-O 3.49Å
52	L	85.8	Confident	76.7	Confident	11 Å²	11	53 Å²	53	6%	0.058	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	134.5	162.9	-74.4	171.6	0	0	0	110.1	P61 F62 V63 I125 K126 V128 F149	L52-P61 HydrophobicContact CB-CB 4.35Å; L52-P61 HydrophobicContact CD1-CG 4.29Å; L52-P61 HydrophobicContact CD2-CB 4.2Å; L52-P61 HydrophobicContact CD2-CG 4.06Å; L52-F62 CarbonylContact C-O 3.56Å; L52-F62 VanDerWaalsContact CA-O 3.32Å; L52-F62 WeakPolarHBondContact CA-O 3.45Å; L52-V63 HydrophobicContact CD2-CG2 3.62Å; L52-I125 HydrophobicContact CB-CB 4.19Å; L52-I125 HydrophobicContact CB-CD1 4.48Å; L52-I125 WeakPolarHBondContact O-CB 3.41Å; L52-I125 PolarHBondContact O-N 3.19Å; L52-K126 HydrophobicContact CD1-CG 4.22Å; L52-K126 PolarHBondContact N-O 3.3Å; L52-V128 HydrophobicContact CD1-CG1 3.6Å; L52-V128 HydrophobicContact CG-CG1 3.65Å; L52-V128 HydrophobicContact CG-CG2 4.29Å; L52-F149 HydrophobicContact CD2-CE2 4.19Å; L52-F149 HydrophobicContact CD2-CZ 4.41Å
53	V	83.5	Confident	77.1	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.5	-179.6	-172.2	0	0	0	0	109.5	V51 P61 F62 A64 W83 I119 T123	V51-V53 HydrophobicContact CG2-CG2 4.1Å; V53-P61 WeakPolarHBondContact O-CA 3.23Å; V53-P61 WeakPolarHBondContact O-CB 3.44Å; V53-F62 PolarHBondContact N-O 3.17Å; V53-F62 PolarHBondContact O-N 3Å; V53-A64 HydrophobicContact CG2-CB 4.19Å; V53-W83 HydrophobicContact CB-CH2 4.3Å; V53-W83 HydrophobicContact CB-CZ3 4.2Å; V53-W83 HydrophobicContact CG1-CH2 4.18Å; V53-W83 HydrophobicContact CG2-CH2 4.24Å; V53-W83 HydrophobicContact CG2-CZ3 4.1Å; V53-I119 HydrophobicContact CG1-CD1 3.98Å; V53-I119 HydrophobicContact CG2-CD1 3.81Å; V53-T123 WeakPolarHBondContact CA-O 3.32Å
54	E	81	Confident	77.4	Confident	57 Å²	57	45.5 Å²	45.5	27%	0.266	25%	0.254	S	S	.	.			trans	-74.9	123.9	-178.2	-162.7	157.2	169.1	0	0	111.9	Q6 R9 T123 I125	Q6-E54 PolarHBondContact NE2-OE1 2.82Å; R9-E54 IonicContact NH1-OE2 3.02Å; R9-E54 PolarHBondContact NH1-OE2 3.44Å; E54-T123 PolarHBondContact N-O 3.43Å; E54-I125 HydrophobicContact CB-CD1 3.95Å; E54-I125 HydrophobicContact CB-CG1 4.04Å; E54-I125 HydrophobicContact CG-CD1 4.39Å
55	G	70.3	Confident	77.6	Confident	18 Å²	18	44.6 Å²	44.6	19%	0.186	25%	0.245	C	C	.	.			trans	-104	174.3	175.7	0	0	0	0	0	112.6	N57	G55-N57 PolarHBondContact O-N 3.39Å
56	E	60.1	Low	77.7	Confident	100 Å²	100	44.6 Å²	44.6	47%	0.467	25%	0.245	S	C	.	.	S	Bend	trans	-59.7	-31.3	179.9	-62.1	-155	113.5	0	0	113.6	K233 H236	E56-K233 HydrophobicContact CG-CB 4.43Å; E56-K233 HydrophobicContact CG-CG 4.39Å; E56-K233 VanDerWaalsContact OE1-CB 3.26Å; E56-K233 WeakPolarHBondContact OE1-CB 3.39Å; E56-K233 WeakPolarHBondContact OE1-CG 3.29Å; E56-H236 HydrophobicContact CG-CB 4.16Å; E56-H236 WeakPolarHBondContact OE2-CB 3.21Å; E56-H236 IonicContact OE2-CD2 3.57Å
57	N	58.8	Low	77.6	Confident	89 Å²	89	45.1 Å²	45.1	48%	0.476	25%	0.25	S	S	.	.	S	Bend	trans	-92.5	100.4	173.7	-61.9	-59.2	0	0	0	109.3	G55 D59 Q60 H236	G55-N57 PolarHBondContact O-N 3.39Å; N57-D59 PolarHBondContact O-N 3.3Å; N57-Q60 PolarHBondContact O-N 2.86Å; N57-H236 PolarHBondContact ND2-NE2 3.03Å
58	A	55.2	Low	77.8	Confident	79 Å²	79	43.9 Å²	43.9	65%	0.653	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-14.2	-176.8	0	0	0	0	0	115.3
59	D	57.7	Low	78.2	Confident	147 Å²	147	42.9 Å²	42.9	79%	0.786	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-6.6	177.3	-59.7	-47.8	0	0	0	113.8	N57	N57-D59 PolarHBondContact O-N 3.3Å
60	Q	68.6	Low	78.3	Confident	113 Å²	113	42.6 Å²	42.6	53%	0.528	23%	0.231	S	C	.	.	S	Bend	trans	-138.7	93	177.4	-68.8	-169.1	4	0	0	112.2	N57	N57-Q60 PolarHBondContact O-N 2.86Å
61	P	80.4	Confident	78.3	Confident	47 Å²	47	43.6 Å²	43.6	31%	0.305	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-78.4	149.8	174.5	32.7	-34.8	0	0	0	112.3	L52 V53 I125	L52-P61 HydrophobicContact CB-CB 4.35Å; L52-P61 HydrophobicContact CD1-CG 4.29Å; L52-P61 HydrophobicContact CD2-CB 4.2Å; L52-P61 HydrophobicContact CD2-CG 4.06Å; V53-P61 WeakPolarHBondContact O-CA 3.23Å; V53-P61 WeakPolarHBondContact O-CB 3.44Å; P61-I125 HydrophobicContact CB-CD1 3.7Å
62	F	84.3	Confident	78	Confident	36 Å²	36	46.2 Å²	46.2	16%	0.158	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	148.5	178.6	-59.3	-69	0	0	0	112.1	L52 V53 W83 E89	L52-F62 CarbonylContact C-O 3.56Å; L52-F62 VanDerWaalsContact CA-O 3.32Å; L52-F62 WeakPolarHBondContact CA-O 3.45Å; V53-F62 PolarHBondContact N-O 3.17Å; V53-F62 PolarHBondContact O-N 3Å; F62-W83 HydrophobicContact CB-CE3 4.37Å; F62-W83 HydrophobicContact CB-CZ3 3.9Å; F62-E89 WeakPolarHBondContact CD1-OE2 3.39Å; F62-E89 HydrophobicContact CE1-CG 4.45Å; F62-E89 VanDerWaalsContact CE1-OE2 3.26Å; F62-E89 WeakPolarHBondContact CE1-OE2 3.4Å
63	V	85	Confident	77.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.9	173.1	175.8	0	0	0	0	110.4	L52 F84 V130 F149	L52-V63 HydrophobicContact CD2-CG2 3.62Å; V63-F84 HydrophobicContact CB-CB 4.18Å; V63-F84 HydrophobicContact CG1-CB 4.07Å; V63-F84 HydrophobicContact CG1-CD2 4.21Å; V63-F84 HydrophobicContact CG1-CG 4.28Å; V63-F84 PolarHBondContact O-N 3.32Å; V63-V130 HydrophobicContact CG1-CG2 3.98Å; V63-F149 HydrophobicContact CG2-CD2 3.8Å; V63-F149 HydrophobicContact CG2-CE1 4.48Å; V63-F149 HydrophobicContact CG2-CE2 3.61Å; V63-F149 HydrophobicContact CG2-CG 4.3Å; V63-F149 HydrophobicContact CG2-CZ 3.99Å
64	A	86.5	Confident	76.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.3	175.2	0	0	0	0	0	112	F50 V51 V53 V81 Q82 W83	F50-A64 CarbonylContact C-O 3.56Å; F50-A64 VanDerWaalsContact CA-O 3.3Å; F50-A64 WeakPolarHBondContact CA-O 3.3Å; V51-A64 HydrophobicContact CG2-CB 4.26Å; V51-A64 PolarHBondContact N-O 2.7Å; V51-A64 PolarHBondContact O-N 3.35Å; V53-A64 HydrophobicContact CG2-CB 4.19Å; A64-V81 HydrophobicContact CB-CB 3.95Å; A64-V81 HydrophobicContact CB-CG1 4.48Å; A64-V81 HydrophobicContact CB-CG2 4.14Å; A64-Q82 CarbonylContact C-O 3.55Å; A64-Q82 VanDerWaalsContact CA-O 3.27Å; A64-Q82 WeakPolarHBondContact CA-O 3.44Å; A64-W83 HydrophobicContact CB-CD2 4.48Å; A64-W83 HydrophobicContact CB-CE3 3.79Å; A64-W83 HydrophobicContact CB-CZ3 3.91Å
65	Q	86.8	Confident	76.3	Confident	22 Å²	22	56.6 Å²	56.6	10%	0.103	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.8	166.4	-171.7	174.7	20.4	0	0	109.7	G48 F50 V81 Q82 F84	G48-Q65 PolarHBondContact O-NE2 3.07Å; F50-Q65 HydrophobicContact CD1-CB 3.6Å; F50-Q65 HydrophobicContact CD1-CG 3.84Å; F50-Q65 HydrophobicContact CE1-CB 3.71Å; F50-Q65 HydrophobicContact CE1-CG 3.72Å; F50-Q65 HydrophobicContact CZ-CG 4.33Å; Q65-V81 CarbonylContact O-C 3.59Å; Q65-V81 VanDerWaalsContact O-CA 3.24Å; Q65-V81 WeakPolarHBondContact O-CA 3.49Å; Q65-Q82 HydrophobicContact CB-CB 4.37Å; Q65-Q82 PolarHBondContact N-O 3.06Å; Q65-Q82 PolarHBondContact O-N 3.01Å; Q65-F84 HydrophobicContact CB-CE2 3.9Å
66	L	86.2	Confident	76.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	120.7	178.6	-175.5	60.2	0	0	0	110.6	I45 L47 G48 E49 L69 A79 V81	I45-L66 HydrophobicContact CG2-CD2 4.22Å; L47-L66 HydrophobicContact CD2-CD2 4.19Å; L47-L66 HydrophobicContact CD2-CG 3.98Å; G48-L66 VanDerWaalsContact CA-O 3.31Å; G48-L66 WeakPolarHBondContact CA-O 3.38Å; G48-L66 PolarHBondContact N-O 3.44Å; E49-L66 PolarHBondContact O-N 3.15Å; L66-L69 HydrophobicContact CD1-CD2 3.79Å; L66-L69 HydrophobicContact CD1-CG 4.06Å; L66-L69 HydrophobicContact CD2-CD1 3.96Å; L66-L69 HydrophobicContact CD2-CD2 4.13Å; L66-L69 HydrophobicContact CD2-CG 4.02Å; L66-L69 HydrophobicContact CG-CD2 4.47Å; L66-L69 HydrophobicContact CG-CG 4.33Å; L66-A79 HydrophobicContact CD1-CB 3.79Å; L66-V81 HydrophobicContact CD1-CG1 4.07Å
67	L	84.2	Confident	78.1	Confident	88 Å²	88	59.2 Å²	59.2	46%	0.461	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-49.1	-178.9	-60	-177	0	0	0	112.4	I80 Q82	L67-I80 WeakPolarHBondContact CA-O 3.33Å; L67-I80 WeakPolarHBondContact CB-O 3.24Å; L67-I80 PolarHBondContact N-O 3.29Å; L67-Q82 HydrophobicContact CD1-CB 4.08Å; L67-Q82 HydrophobicContact CD2-CB 4.3Å; L67-Q82 HydrophobicContact CG-CB 4.22Å
68	D	84.7	Confident	79.5	Confident	34 Å²	34	56.3 Å²	56.3	18%	0.182	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	161.2	180	-164.9	17.1	0	0	0	111.1	Q28 A79 I80	Q28-D68 PolarHBondContact NE2-OD2 3.5Å; D68-A79 WeakPolarHBondContact O-CA 3.44Å; D68-I80 HydrophobicContact CB-CB 4.11Å; D68-I80 HydrophobicContact CB-CD1 4.19Å; D68-I80 HydrophobicContact CB-CG1 4.28Å; D68-I80 PolarHBondContact N-O 3.03Å; D68-I80 PolarHBondContact O-N 2.84Å
69	L	86.3	Confident	80.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	124.8	179.8	-76.7	171.8	0	0	0	109.1	W13 Q28 Y29 G31 I32 L47 L66 A79 V121	W13-L69 HydrophobicContact CH2-CB 4.38Å; W13-L69 HydrophobicContact CZ3-CB 3.89Å; W13-L69 HydrophobicContact CZ3-CD1 4.25Å; W13-L69 HydrophobicContact CZ3-CD2 4.04Å; W13-L69 HydrophobicContact CZ3-CG 4.29Å; Q28-L69 CarbonylContact C-O 3.59Å; Q28-L69 VanDerWaalsContact CA-O 3.32Å; Q28-L69 WeakPolarHBondContact CA-O 3.46Å; Y29-L69 PolarHBondContact N-O 3.31Å; G31-L69 VanDerWaalsContact C-CD1 3.44Å; I32-L69 HydrophobicContact CG2-CD1 3.87Å; I32-L69 HydrophobicContact CG2-CD2 3.94Å; L47-L69 HydrophobicContact CD2-CB 4.02Å; L47-L69 HydrophobicContact CD2-CD1 3.77Å; L47-L69 HydrophobicContact CD2-CG 3.61Å; L66-L69 HydrophobicContact CD1-CD2 3.79Å; L66-L69 HydrophobicContact CD1-CG 4.06Å; L66-L69 HydrophobicContact CD2-CD1 3.96Å; L66-L69 HydrophobicContact CD2-CD2 4.13Å; L66-L69 HydrophobicContact CD2-CG 4.02Å; L66-L69 HydrophobicContact CG-CD2 4.47Å; L66-L69 HydrophobicContact CG-CG 4.33Å; L69-A79 HydrophobicContact CD2-CB 3.66Å; L69-V121 HydrophobicContact CD2-CG2 3.98Å
70	Y	86.6	Confident	82.2	Confident	40 Å²	40	47.9 Å²	47.9	16%	0.157	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150.9	177.4	70.7	-85.9	0	0	0	113.7	T26 L27 D72 H78 I80 D118	T26-Y70 HydrophobicContact CG2-CD2 3.6Å; T26-Y70 HydrophobicContact CG2-CE2 3.9Å; L27-Y70 CarbonylContact O-C 3.54Å; L27-Y70 WeakPolarHBondContact O-CA 3.45Å; L27-Y70 WeakPolarHBondContact O-CB 3.35Å; Y70-D72 HydrophobicContact CE2-CB 4.35Å; Y70-H78 HydrophobicContact CD1-CB 3.92Å; Y70-H78 HydrophobicContact CD2-CB 4.1Å; Y70-H78 HydrophobicContact CE1-CB 3.49Å; Y70-H78 VanDerWaalsContact CE1-CB 3.49Å; Y70-H78 HydrophobicContact CE2-CB 3.73Å; Y70-H78 HydrophobicContact CG-CB 4.19Å; Y70-H78 AromaticContact CZ-CG 3.89Å; Y70-H78 PolarHBondContact N-O 2.97Å; Y70-H78 PolarHBondContact O-N 2.91Å; Y70-I80 HydrophobicContact CD1-CG1 4.45Å; Y70-I80 HydrophobicContact CE1-CD1 4.26Å; Y70-I80 HydrophobicContact CE1-CG1 4.07Å; Y70-D118 WeakPolarHBondContact CE1-OD2 3.37Å; Y70-D118 PolarHBondContact OH-OD2 3.03Å
71	E	84.7	Confident	83.1	Confident	30 Å²	30	42.5 Å²	42.5	14%	0.14	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.6	163.9	-166.1	171.1	133.7	0	0	109	W13 T26 L27 Y29 Q75 Q76	W13-E71 HydrophobicContact CZ2-CB 3.85Å; W13-E71 PolarHBondContact NE1-OE2 2.9Å; T26-E71 WeakPolarHBondContact CA-O 3.06Å; L27-E71 PolarHBondContact N-O 2.95Å; L27-E71 PolarHBondContact O-N 2.99Å; Y29-E71 HydrophobicContact CD2-CB 4.49Å; Y29-E71 HydrophobicContact CE2-CB 3.65Å; E71-Q75 WeakPolarHBondContact OE1-CA 3.4Å; E71-Q76 WeakPolarHBondContact CA-O 3.28Å
72	D	80.7	Confident	83.3	Confident	56 Å²	56	42.6 Å²	42.6	30%	0.299	23%	0.23	S	C	.	.			trans	-85.2	163.9	-177.7	-140.9	-16.4	0	0	0	111.7	Y70 A74 Q75 Q76	Y70-D72 HydrophobicContact CE2-CB 4.35Å; D72-A74 PolarHBondContact O-N 2.91Å; D72-Q75 PolarHBondContact O-N 3.25Å; D72-Q76 PolarHBondContact N-O 3.38Å
73	G	69.8	Low	83.5	Confident	56 Å²	56	41.6 Å²	41.6	58%	0.577	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-5.6	-179.6	0	0	0	0	0	115.5
74	A	73.1	Confident	83.5	Confident	75 Å²	75	41.6 Å²	41.6	62%	0.62	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.3	14.6	173.8	0	0	0	0	0	113.9	D72 Q76	D72-A74 PolarHBondContact O-N 2.91Å; A74-Q76 HydrophobicContact CB-CG 4.43Å; A74-Q76 PolarHBondContact O-N 3.06Å
75	Q	72.7	Confident	83.3	Confident	159 Å²	159	41.7 Å²	41.7	74%	0.743	23%	0.226	S	C	*	.	S	Bend	trans	59.2	25.9	-175.5	-58.2	-172.5	-40.2	0	0	114.6	E71 D72	E71-Q75 WeakPolarHBondContact OE1-CA 3.4Å; D72-Q75 PolarHBondContact O-N 3.25Å
76	Q	81.8	Confident	83.1	Confident	115 Å²	115	42 Å²	42	54%	0.537	23%	0.228	S	C	.	.			trans	-91.2	143.6	173.1	-61.1	-160.3	-27.4	0	0	110.1	E71 D72 A74	E71-Q76 WeakPolarHBondContact CA-O 3.28Å; D72-Q76 PolarHBondContact N-O 3.38Å; A74-Q76 HydrophobicContact CB-CG 4.43Å; A74-Q76 PolarHBondContact O-N 3.06Å
77	K	86.4	Confident	82.8	Confident	57 Å²	57	43.6 Å²	43.6	25%	0.248	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	112.7	-171.2	-57.8	-167	179.2	-168	0	110.6	Y11 W13 A120 V121	Y11-K77 PolarHBondContact O-NZ 2.88Å; W13-K77 HydrophobicContact CD2-CD 4.41Å; W13-K77 HydrophobicContact CH2-CB 3.93Å; W13-K77 HydrophobicContact CH2-CD 4.41Å; W13-K77 HydrophobicContact CH2-CG 4.3Å; W13-K77 HydrophobicContact CZ2-CB 3.64Å; W13-K77 HydrophobicContact CZ2-CD 3.72Å; W13-K77 HydrophobicContact CZ2-CG 3.54Å; K77-A120 WeakPolarHBondContact O-CA 3.4Å; K77-V121 HydrophobicContact CB-CB 3.89Å; K77-V121 HydrophobicContact CB-CG2 3.94Å; K77-V121 PolarHBondContact O-N 2.66Å
78	H	87.1	Confident	82.4	Confident	28 Å²	28	42.7 Å²	42.7	13%	0.13	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	152.6	-174	-72	-97.1	0	0	0	111.5	Y70 D118 I119	Y70-H78 HydrophobicContact CD1-CB 3.92Å; Y70-H78 HydrophobicContact CD2-CB 4.1Å; Y70-H78 HydrophobicContact CE1-CB 3.49Å; Y70-H78 VanDerWaalsContact CE1-CB 3.49Å; Y70-H78 HydrophobicContact CE2-CB 3.73Å; Y70-H78 HydrophobicContact CG-CB 4.19Å; Y70-H78 AromaticContact CZ-CG 3.89Å; Y70-H78 PolarHBondContact N-O 2.97Å; Y70-H78 PolarHBondContact O-N 2.91Å; H78-D118 IonicContact CE1-OD1 2.66Å; H78-D118 IonicContact CG-OD1 3.43Å; H78-D118 IonicContact ND1-OD1 2.7Å; H78-D118 PolarHBondContact ND1-OD1 3.16Å; H78-D118 IonicContact ND1-OD2 3.44Å; H78-I119 CarbonylContact C-O 3.58Å; H78-I119 WeakPolarHBondContact CA-O 3.48Å
79	A	86.2	Confident	82	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128.5	179.6	0	0	0	0	0	109	L66 D68 L69 V81 I119 V121 I124	L66-A79 HydrophobicContact CD1-CB 3.79Å; D68-A79 WeakPolarHBondContact O-CA 3.44Å; L69-A79 HydrophobicContact CD2-CB 3.66Å; A79-V81 HydrophobicContact CB-CG1 4.44Å; A79-I119 HydrophobicContact CB-CG1 3.91Å; A79-I119 PolarHBondContact N-O 3.1Å; A79-I119 PolarHBondContact O-N 2.84Å; A79-V121 HydrophobicContact CB-CG2 4.03Å; A79-I124 HydrophobicContact CB-CD1 4.23Å
80	I	85.1	Confident	81.5	Confident	50 Å²	50	43.2 Å²	43.2	26%	0.256	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	125.2	173.1	-54.1	-178.2	0	0	0	107.5	L67 D68 Y70 T117	L67-I80 WeakPolarHBondContact CA-O 3.33Å; L67-I80 WeakPolarHBondContact CB-O 3.24Å; L67-I80 PolarHBondContact N-O 3.29Å; D68-I80 HydrophobicContact CB-CB 4.11Å; D68-I80 HydrophobicContact CB-CD1 4.19Å; D68-I80 HydrophobicContact CB-CG1 4.28Å; D68-I80 PolarHBondContact N-O 3.03Å; D68-I80 PolarHBondContact O-N 2.84Å; Y70-I80 HydrophobicContact CD1-CG1 4.45Å; Y70-I80 HydrophobicContact CE1-CD1 4.26Å; Y70-I80 HydrophobicContact CE1-CG1 4.07Å; I80-T117 CarbonylContact C-O 3.59Å; I80-T117 WeakPolarHBondContact CA-O 3.44Å
81	V	86.4	Confident	81	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.4	-173.5	-59	0	0	0	0	113.3	A64 Q65 L66 A79 W83 T117 I119	A64-V81 HydrophobicContact CB-CB 3.95Å; A64-V81 HydrophobicContact CB-CG1 4.48Å; A64-V81 HydrophobicContact CB-CG2 4.14Å; Q65-V81 CarbonylContact O-C 3.59Å; Q65-V81 VanDerWaalsContact O-CA 3.24Å; Q65-V81 WeakPolarHBondContact O-CA 3.49Å; L66-V81 HydrophobicContact CD1-CG1 4.07Å; A79-V81 HydrophobicContact CB-CG1 4.44Å; V81-W83 HydrophobicContact CG2-CD2 4.28Å; V81-W83 HydrophobicContact CG2-CH2 4.07Å; V81-W83 HydrophobicContact CG2-CZ2 3.63Å; V81-T117 WeakPolarHBondContact CG2-O 3.45Å; V81-T117 PolarHBondContact N-O 2.86Å; V81-T117 WeakPolarHBondContact O-CB 3.01Å; V81-I119 HydrophobicContact CG1-CD1 3.73Å; V81-I119 HydrophobicContact CG1-CG1 4.05Å; V81-I119 HydrophobicContact CG2-CD1 4.07Å; V81-I119 HydrophobicContact CG2-CG1 4.26Å; V81-I119 HydrophobicContact CG2-CG2 4.35Å
82	Q	85.8	Confident	80.5	Confident	48 Å²	48	48.8 Å²	48.8	22%	0.224	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.8	170	173.1	59.3	62.5	0	0	109.4	A64 Q65 L67 F109 D110	A64-Q82 CarbonylContact C-O 3.55Å; A64-Q82 VanDerWaalsContact CA-O 3.27Å; A64-Q82 WeakPolarHBondContact CA-O 3.44Å; Q65-Q82 HydrophobicContact CB-CB 4.37Å; Q65-Q82 PolarHBondContact N-O 3.06Å; Q65-Q82 PolarHBondContact O-N 3.01Å; L67-Q82 HydrophobicContact CD1-CB 4.08Å; L67-Q82 HydrophobicContact CD2-CB 4.3Å; L67-Q82 HydrophobicContact CG-CB 4.22Å; Q82-F109 HydrophobicContact CG-CD2 4.47Å; Q82-F109 HydrophobicContact CG-CE2 3.68Å; Q82-F109 HydrophobicContact CG-CZ 4.16Å; Q82-D110 PolarHBondContact NE2-O 3.23Å
83	W	86.8	Confident	80	Confident	15 Å²	15	51 Å²	51	6%	0.057	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	151	-173.9	-65.6	108.4	0	0	0	113.9	V53 F62 A64 V81 D110 D116 I119	V53-W83 HydrophobicContact CB-CH2 4.3Å; V53-W83 HydrophobicContact CB-CZ3 4.2Å; V53-W83 HydrophobicContact CG1-CH2 4.18Å; V53-W83 HydrophobicContact CG2-CH2 4.24Å; V53-W83 HydrophobicContact CG2-CZ3 4.1Å; F62-W83 HydrophobicContact CB-CE3 4.37Å; F62-W83 HydrophobicContact CB-CZ3 3.9Å; A64-W83 HydrophobicContact CB-CD2 4.48Å; A64-W83 HydrophobicContact CB-CE3 3.79Å; A64-W83 HydrophobicContact CB-CZ3 3.91Å; V81-W83 HydrophobicContact CG2-CD2 4.28Å; V81-W83 HydrophobicContact CG2-CH2 4.07Å; V81-W83 HydrophobicContact CG2-CZ2 3.63Å; W83-D110 HydrophobicContact CB-CB 4.26Å; W83-D110 WeakPolarHBondContact O-CB 3.37Å; W83-D110 PolarHBondContact O-N 2.96Å; W83-D116 PolarHBondContact NE1-O 3.5Å; W83-I119 HydrophobicContact CH2-CG2 3.96Å; W83-I119 HydrophobicContact CZ2-CG2 3.71Å
84	F	86.1	Confident	80.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.8	165.8	-63.2	-103.1	0	0	0	108.9	F50 V63 Q65 V107 F108 F109 V130 V151 L171	F50-F84 HydrophobicContact CD1-CE2 4.09Å; F50-F84 HydrophobicContact CD1-CZ 4.31Å; F50-F84 HydrophobicContact CE1-CE2 4.07Å; F50-F84 AromaticContact CE1-CZ 3.86Å; F50-F84 HydrophobicContact CE1-CZ 3.86Å; V63-F84 HydrophobicContact CB-CB 4.18Å; V63-F84 HydrophobicContact CG1-CB 4.07Å; V63-F84 HydrophobicContact CG1-CD2 4.21Å; V63-F84 HydrophobicContact CG1-CG 4.28Å; V63-F84 PolarHBondContact O-N 3.32Å; Q65-F84 HydrophobicContact CB-CE2 3.9Å; F84-V107 HydrophobicContact CB-CB 4.32Å; F84-V107 HydrophobicContact CB-CG2 4.05Å; F84-V107 HydrophobicContact CD1-CG2 4.17Å; F84-V107 HydrophobicContact CG-CG2 4.41Å; F84-F108 CarbonylContact C-O 3.6Å; F84-F108 VanDerWaalsContact CA-O 3.22Å; F84-F108 WeakPolarHBondContact CA-O 3.43Å; F84-F109 HydrophobicContact CD1-CB 4.34Å; F84-F109 HydrophobicContact CD1-CD2 4.46Å; F84-F109 HydrophobicContact CE1-CB 4.14Å; F84-F109 AromaticContact CE1-CD2 3.69Å; F84-F109 HydrophobicContact CE1-CD2 3.69Å; F84-F109 HydrophobicContact CE1-CG 4.41Å; F84-F109 AromaticContact CZ-CD2 3.82Å; F84-F109 HydrophobicContact CZ-CD2 3.82Å; F84-F109 HydrophobicContact CZ-CE2 4.41Å; F84-V130 HydrophobicContact CE1-CG1 4.49Å; F84-V151 HydrophobicContact CD1-CG2 3.89Å; F84-V151 HydrophobicContact CE1-CG1 4.45Å; F84-V151 HydrophobicContact CE1-CG2 3.84Å; F84-L171 HydrophobicContact CE1-CD2 4.49Å; F84-L171 HydrophobicContact CZ-CD2 4Å
85	S	82.8	Confident	80.3	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	134.1	179.4	-81.3	0	0	0	0	111.1	F108 D110	S85-F108 PolarHBondContact N-O 3.26Å; S85-F108 PolarHBondContact O-N 2.93Å; S85-D110 PolarHBondContact OG-OD2 3.13Å
86	H	82.1	Confident	80.2	Confident	29 Å²	29	53 Å²	53	13%	0.134	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	155.4	163.4	-73.3	-89.4	0	0	0	111.6	T88 E89 V107 F149	H86-T88 WeakPolarHBondContact CB-OG1 3.45Å; H86-T88 PolarHBondContact O-N 3.39Å; H86-T88 VanDerWaalsContact O-N 3.12Å; H86-E89 HydrophobicContact CB-CG 4.37Å; H86-E89 IonicContact CD2-OE1 3.92Å; H86-E89 PolarHBondContact N-OE1 3.28Å; H86-E89 WeakPolarHBondContact O-CB 3.31Å; H86-E89 PolarHBondContact O-N 2.83Å; H86-V107 VanDerWaalsContact CE1-CG1 3.46Å; H86-V107 WeakPolarHBondContact CE1-CG1 3.16Å; H86-F149 AromaticContact CE1-CE1 3.72Å
87	I	79.2	Confident	79.8	Confident	33 Å²	33	52.1 Å²	52.1	17%	0.169	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.6	174	-169.7	56.4	0	0	0	113.1	E89 R95 L98 V102 F108	I87-E89 VanDerWaalsContact C-N 3.32Å; I87-R95 HydrophobicContact CD1-CG 4.13Å; I87-R95 PolarHBondContact O-NE 3.16Å; I87-R95 VanDerWaalsContact O-NE 3.09Å; I87-R95 PolarHBondContact O-NH2 2.94Å; I87-L98 HydrophobicContact CD1-CD1 3.51Å; I87-V102 HydrophobicContact CB-CG1 4.33Å; I87-V102 HydrophobicContact CG1-CG1 4.47Å; I87-F108 HydrophobicContact CB-CE2 4.18Å; I87-F108 HydrophobicContact CD1-CE2 4.12Å
88	T	76.3	Confident	78.9	Confident	69 Å²	69	50.4 Å²	50.4	42%	0.423	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-25.4	175.5	44.8	0	0	0	0	113.7	H86 R95	H86-T88 WeakPolarHBondContact CB-OG1 3.45Å; H86-T88 PolarHBondContact O-N 3.39Å; H86-T88 VanDerWaalsContact O-N 3.12Å; T88-R95 VanDerWaalsContact C-NH2 3.33Å; T88-R95 PolarHBondContact O-NH2 2.99Å
89	E	75.2	Confident	77.9	Confident	44 Å²	44	59.2 Å²	59.2	21%	0.206	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-27.6	-179.3	-61.1	176.7	-110.2	0	0	112.6	F62 H86 I87 R239	F62-E89 WeakPolarHBondContact CD1-OE2 3.39Å; F62-E89 HydrophobicContact CE1-CG 4.45Å; F62-E89 VanDerWaalsContact CE1-OE2 3.26Å; F62-E89 WeakPolarHBondContact CE1-OE2 3.4Å; H86-E89 HydrophobicContact CB-CG 4.37Å; H86-E89 IonicContact CD2-OE1 3.92Å; H86-E89 PolarHBondContact N-OE1 3.28Å; H86-E89 WeakPolarHBondContact O-CB 3.31Å; H86-E89 PolarHBondContact O-N 2.83Å; I87-E89 VanDerWaalsContact C-N 3.32Å; E89-R239 IonicContact OE2-CZ 3.4Å; E89-R239 IonicContact OE2-NH1 3.98Å; E89-R239 PolarHBondContact OE2-NH1 2.6Å
90	I	77.8	Confident	77.2	Confident	1 Å²	1	63 Å²	63	1%	0.005	30%	0.296	C	S	.	.	S	Bend	trans	-72.1	132.1	-177.5	-59.4	-179.6	0	0	0	109.7	Q92 K94 R95 F108 W155 F160	I90-Q92 PolarHBondContact O-N 3.36Å; I90-K94 HydrophobicContact CG2-CB 4.25Å; I90-R95 HydrophobicContact CG2-CG 4.48Å; I90-R95 VanDerWaalsContact O-CZ 3.27Å; I90-R95 PolarHBondContact O-NE 3.47Å; I90-R95 PolarHBondContact O-NH2 2.87Å; I90-F108 HydrophobicContact CD1-CD2 3.92Å; I90-F108 HydrophobicContact CD1-CE2 4.36Å; I90-F108 HydrophobicContact CD1-CG 4.35Å; I90-W155 HydrophobicContact CD1-CD2 4.06Å; I90-W155 HydrophobicContact CD1-CE3 4.49Å; I90-W155 HydrophobicContact CD1-CG 4.14Å; I90-W155 HydrophobicContact CG2-CH2 4.12Å; I90-W155 HydrophobicContact CG2-CZ2 3.85Å; I90-F160 HydrophobicContact CD1-CE1 3.54Å; I90-F160 HydrophobicContact CD1-CZ 3.6Å; I90-F160 HydrophobicContact CG2-CZ 4.22Å
91	P	76.1	Confident	76.2	Confident	38 Å²	38	69.8 Å²	69.8	25%	0.247	33%	0.327	C	S	.	.			trans	-56.6	136.9	-178.9	-29	35.9	0	0	0	113.7	N93 K94 R95	P91-N93 VanDerWaalsContact C-N 3.28Å; P91-N93 PolarHBondContact O-N 3.5Å; P91-N93 VanDerWaalsContact O-N 3.13Å; P91-K94 PolarHBondContact O-N 3.01Å; P91-R95 PolarHBondContact O-N 2.96Å
92	Q	73.9	Confident	75.4	Confident	148 Å²	148	71.3 Å²	71.3	69%	0.692	34%	0.336	S	S	*	.	H	α-helix	trans	-52.7	-41.5	-171.1	-63.7	-174.7	4.7	0	0	113.6	I90 K94 R95	I90-Q92 PolarHBondContact O-N 3.36Å; Q92-K94 PolarHBondContact O-N 3.45Å; Q92-R95 WeakPolarHBondContact O-CB 3.18Å; Q92-R95 PolarHBondContact O-N 2.92Å; Q92-R95 VanDerWaalsContact O-N 3.12Å
93	N	70.4	Confident	74.6	Confident	102 Å²	102	70.7 Å²	70.7	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-58.5	-33.4	177.8	-67	-10.1	0	0	0	113.2	P91 M244	P91-N93 VanDerWaalsContact C-N 3.28Å; P91-N93 PolarHBondContact O-N 3.5Å; P91-N93 VanDerWaalsContact O-N 3.13Å; N93-M244 PolarHBondContact ND2-SD 3.16Å
94	K	72.9	Confident	73.7	Confident	75 Å²	75	75.3 Å²	75.3	33%	0.326	37%	0.369	S	S	.	.	H	α-helix	trans	-86.5	-19.8	-179.8	-59.1	-174.6	-173.8	173.4	0	112.5	I90 P91 Q92 K96 L97 W155 G157	I90-K94 HydrophobicContact CG2-CB 4.25Å; P91-K94 PolarHBondContact O-N 3.01Å; Q92-K94 PolarHBondContact O-N 3.45Å; K94-K96 PolarHBondContact O-N 3.07Å; K94-L97 HydrophobicContact CB-CD1 4.49Å; K94-L97 VanDerWaalsContact O-CB 3.31Å; K94-L97 WeakPolarHBondContact O-CB 3.32Å; K94-L97 WeakPolarHBondContact O-CG 3.49Å; K94-L97 PolarHBondContact O-N 2.95Å; K94-W155 HydrophobicContact CB-CH2 3.91Å; K94-W155 HydrophobicContact CD-CH2 3.7Å; K94-W155 HydrophobicContact CD-CZ2 3.9Å; K94-W155 HydrophobicContact CG-CH2 4.4Å; K94-G157 PolarHBondContact NZ-O 2.87Å
95	R	75.3	Confident	73.1	Confident	82 Å²	82	78.9 Å²	78.9	31%	0.309	39%	0.386	S	S	.	.	H	α-helix	trans	-59.4	-31.3	171.8	-60.4	-177	-164	179.4	2.7	112.1	I87 T88 I90 P91 Q92 L97 L98	I87-R95 HydrophobicContact CD1-CG 4.13Å; I87-R95 PolarHBondContact O-NE 3.16Å; I87-R95 VanDerWaalsContact O-NE 3.09Å; I87-R95 PolarHBondContact O-NH2 2.94Å; T88-R95 VanDerWaalsContact C-NH2 3.33Å; T88-R95 PolarHBondContact O-NH2 2.99Å; I90-R95 HydrophobicContact CG2-CG 4.48Å; I90-R95 VanDerWaalsContact O-CZ 3.27Å; I90-R95 PolarHBondContact O-NE 3.47Å; I90-R95 PolarHBondContact O-NH2 2.87Å; P91-R95 PolarHBondContact O-N 2.96Å; Q92-R95 WeakPolarHBondContact O-CB 3.18Å; Q92-R95 PolarHBondContact O-N 2.92Å; Q92-R95 VanDerWaalsContact O-N 3.12Å; R95-L97 PolarHBondContact O-N 3.31Å; R95-L98 WeakPolarHBondContact O-CB 3.39Å; R95-L98 PolarHBondContact O-N 3.31Å
96	K	71.4	Confident	73	Confident	176 Å²	176	78.9 Å²	78.9	77%	0.765	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-12.6	174.9	-62.7	-176.2	178.1	-178.1	0	114.4	K94	K94-K96 PolarHBondContact O-N 3.07Å
97	L	72.4	Confident	73.1	Confident	97 Å²	97	77.5 Å²	77.5	51%	0.508	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-24.1	173	-57.6	175	0	0	0	112.5	K94 R95 K99 F160	K94-L97 HydrophobicContact CB-CD1 4.49Å; K94-L97 VanDerWaalsContact O-CB 3.31Å; K94-L97 WeakPolarHBondContact O-CB 3.32Å; K94-L97 WeakPolarHBondContact O-CG 3.49Å; K94-L97 PolarHBondContact O-N 2.95Å; R95-L97 PolarHBondContact O-N 3.31Å; L97-K99 PolarHBondContact O-N 2.77Å; L97-F160 HydrophobicContact CB-CD2 4.23Å; L97-F160 HydrophobicContact CB-CE2 4.33Å
98	L	67.8	Low	73.4	Confident	21 Å²	21	76 Å²	76	11%	0.11	37%	0.371	C	S	.	.			trans	-76.6	98.4	166.2	-78	154.8	0	0	0	108.4	I87 R95 R100 V102 F108 F160	I87-L98 HydrophobicContact CD1-CD1 3.51Å; R95-L98 WeakPolarHBondContact O-CB 3.39Å; R95-L98 PolarHBondContact O-N 3.31Å; L98-R100 HydrophobicContact CD2-CG 4.45Å; L98-R100 PolarHBondContact O-N 3.08Å; L98-V102 HydrophobicContact CD1-CG2 4.13Å; L98-V102 HydrophobicContact CD2-CG2 4.23Å; L98-F108 HydrophobicContact CD1-CE1 4.35Å; L98-F108 HydrophobicContact CD1-CE2 4.49Å; L98-F108 HydrophobicContact CD1-CZ 3.82Å; L98-F108 HydrophobicContact CD2-CE1 4.18Å; L98-F108 HydrophobicContact CD2-CZ 4.23Å; L98-F160 HydrophobicContact CD1-CD1 4.33Å; L98-F160 HydrophobicContact CD1-CD2 4.35Å; L98-F160 HydrophobicContact CD1-CE1 3.67Å; L98-F160 HydrophobicContact CD1-CE2 3.71Å; L98-F160 HydrophobicContact CD1-CZ 3.32Å; L98-F160 HydrophobicContact CD2-CD1 4.33Å; L98-F160 HydrophobicContact CD2-CD2 4.43Å; L98-F160 HydrophobicContact CD2-CE1 4.47Å; L98-F160 HydrophobicContact CD2-CG 4.31Å; L98-F160 HydrophobicContact CG-CD1 4.31Å; L98-F160 HydrophobicContact CG-CD2 3.86Å; L98-F160 HydrophobicContact CG-CE1 4.11Å; L98-F160 HydrophobicContact CG-CE2 3.64Å; L98-F160 HydrophobicContact CG-CG 4.19Å; L98-F160 HydrophobicContact CG-CZ 3.77Å
99	K	65.5	Low	73.7	Confident	212 Å²	212	73.8 Å²	73.8	92%	0.922	36%	0.356	S	S	*	.			trans	-74	31.9	174.7	-58.1	-175.4	179.9	-177.4	0	113.1	L97	L97-K99 PolarHBondContact O-N 2.77Å
100	R	72.8	Confident	74	Confident	81 Å²	81	71.9 Å²	71.9	31%	0.306	35%	0.347	S	S	.	.	S	Bend	trans	-150.4	155.1	-178.6	70.2	172.3	-177.1	-150.8	0.7	111.1	L98 V102 E106	L98-R100 HydrophobicContact CD2-CG 4.45Å; L98-R100 PolarHBondContact O-N 3.08Å; R100-V102 HydrophobicContact CG-CG2 4.21Å; R100-E106 IonicContact CZ-OE1 2.63Å; R100-E106 IonicContact NE-OE1 3.6Å; R100-E106 IonicContact NH2-OE1 3.79Å; R100-E106 PolarHBondContact NH2-OE1 2.77Å; R100-E106 IonicContact NH2-OE2 2.68Å
101	E	62.6	Low	73.9	Confident	192 Å²	192	75.6 Å²	75.6	90%	0.897	36%	0.364	S	S	*	.			trans	-70.2	148.1	163.5	-60.5	-171.9	163.9	0	0	110.4
102	V	70.6	Confident	73.8	Confident	32 Å²	32	75.6 Å²	75.6	19%	0.194	36%	0.364	C	S	.	.			trans	-129.8	127.2	-172.8	176.8	0	0	0	0	107.8	I87 L98 R100 E106 F108	I87-V102 HydrophobicContact CB-CG1 4.33Å; I87-V102 HydrophobicContact CG1-CG1 4.47Å; L98-V102 HydrophobicContact CD1-CG2 4.13Å; L98-V102 HydrophobicContact CD2-CG2 4.23Å; R100-V102 HydrophobicContact CG-CG2 4.21Å; V102-E106 HydrophobicContact CG1-CB 3.75Å; V102-E106 HydrophobicContact CG1-CG 4.07Å; V102-F108 HydrophobicContact CG1-CE2 4.28Å; V102-F108 HydrophobicContact CG1-CZ 4.06Å; V102-F108 HydrophobicContact CG2-CZ 4.45Å
103	S	68.5	Low	73	Confident	35 Å²	35	74.5 Å²	74.5	25%	0.245	37%	0.369	C	S	.	.			trans	-71.8	152.5	-179.1	76.7	0	0	0	0	111	Q105 E106	S103-Q105 PolarHBondContact O-N 3.06Å; S103-E106 PolarHBondContact O-N 3.4Å
104	P	68.9	Low	72.5	Confident	112 Å²	112	72.7 Å²	72.7	73%	0.727	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-9.8	179.5	26.5	-35.6	0	0	0	114.1
105	Q	73.1	Confident	72.1	Confident	75 Å²	75	72.2 Å²	72.2	35%	0.35	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-3.5	175.5	-67.7	173.2	-16.4	0	0	113.1	S103 F149 Y150	S103-Q105 PolarHBondContact O-N 3.06Å; Q105-F149 CarbonylContact O-C 3.6Å; Q105-F149 VanDerWaalsContact O-CA 3.29Å; Q105-F149 WeakPolarHBondContact O-CA 3.23Å; Q105-Y150 HydrophobicContact CB-CD2 3.94Å; Q105-Y150 HydrophobicContact CB-CE2 4.06Å; Q105-Y150 PolarHBondContact O-N 3.01Å
106	E	81.1	Confident	71.9	Confident	3 Å²	3	72.2 Å²	72.2	1%	0.014	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-87.6	125.7	175.2	-171.2	170	140.1	0	0	110.5	R100 V102 S103 Y150 K152	R100-E106 IonicContact CZ-OE1 2.63Å; R100-E106 IonicContact NE-OE1 3.6Å; R100-E106 IonicContact NH2-OE1 3.79Å; R100-E106 PolarHBondContact NH2-OE1 2.77Å; R100-E106 IonicContact NH2-OE2 2.68Å; V102-E106 HydrophobicContact CG1-CB 3.75Å; V102-E106 HydrophobicContact CG1-CG 4.07Å; S103-E106 PolarHBondContact O-N 3.4Å; E106-Y150 CarbonylContact C-O 3.57Å; E106-Y150 WeakPolarHBondContact CA-O 3.03Å; E106-K152 WeakPolarHBondContact OE2-CD 3.32Å; E106-K152 VanDerWaalsContact OE2-CE 3.3Å; E106-K152 WeakPolarHBondContact OE2-CE 3.35Å; E106-K152 IonicContact OE2-NZ 3.8Å; E106-K152 PolarHBondContact OE2-NZ 2.84Å
107	V	83.8	Confident	72.3	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.7	179.5	-55.5	0	0	0	0	110.1	F84 H86 F149 Y150 V151	F84-V107 HydrophobicContact CB-CB 4.32Å; F84-V107 HydrophobicContact CB-CG2 4.05Å; F84-V107 HydrophobicContact CD1-CG2 4.17Å; F84-V107 HydrophobicContact CG-CG2 4.41Å; H86-V107 VanDerWaalsContact CE1-CG1 3.46Å; H86-V107 WeakPolarHBondContact CE1-CG1 3.16Å; V107-F149 HydrophobicContact CG1-CB 4.25Å; V107-F149 HydrophobicContact CG1-CD1 3.95Å; V107-F149 HydrophobicContact CG1-CG 4.26Å; V107-F149 HydrophobicContact CG2-CB 4.05Å; V107-Y150 PolarHBondContact N-O 3.36Å; V107-V151 HydrophobicContact CG2-CG2 3.8Å; V107-V151 WeakPolarHBondContact O-CA 3.36Å
108	F	84.4	Confident	72.9	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	135.2	-172.9	-61	-85.8	0	0	0	110.7	F84 S85 I87 I90 L98 V102 D110 Q153 W155 F160	F84-F108 CarbonylContact C-O 3.6Å; F84-F108 VanDerWaalsContact CA-O 3.22Å; F84-F108 WeakPolarHBondContact CA-O 3.43Å; S85-F108 PolarHBondContact N-O 3.26Å; S85-F108 PolarHBondContact O-N 2.93Å; I87-F108 HydrophobicContact CB-CE2 4.18Å; I87-F108 HydrophobicContact CD1-CE2 4.12Å; I90-F108 HydrophobicContact CD1-CD2 3.92Å; I90-F108 HydrophobicContact CD1-CE2 4.36Å; I90-F108 HydrophobicContact CD1-CG 4.35Å; L98-F108 HydrophobicContact CD1-CE1 4.35Å; L98-F108 HydrophobicContact CD1-CE2 4.49Å; L98-F108 HydrophobicContact CD1-CZ 3.82Å; L98-F108 HydrophobicContact CD2-CE1 4.18Å; L98-F108 HydrophobicContact CD2-CZ 4.23Å; V102-F108 HydrophobicContact CG1-CE2 4.28Å; V102-F108 HydrophobicContact CG1-CZ 4.06Å; V102-F108 HydrophobicContact CG2-CZ 4.45Å; F108-D110 PolarHBondContact O-N 3.43Å; F108-Q153 HydrophobicContact CD1-CB 3.96Å; F108-Q153 HydrophobicContact CE1-CB 4.14Å; F108-W155 HydrophobicContact CB-CB 4.01Å; F108-F160 AromaticContact CD1-CD1 3.7Å; F108-F160 HydrophobicContact CD1-CD1 3.7Å; F108-F160 AromaticContact CD1-CE1 3.72Å; F108-F160 HydrophobicContact CD1-CE1 3.72Å; F108-F160 HydrophobicContact CD2-CE1 4.38Å; F108-F160 AromaticContact CE1-CD1 3.74Å; F108-F160 HydrophobicContact CE1-CD1 3.74Å; F108-F160 AromaticContact CE1-CE1 3.7Å; F108-F160 HydrophobicContact CE1-CE1 3.7Å; F108-F160 HydrophobicContact CE2-CE1 4.38Å; F108-F160 HydrophobicContact CG-CD1 4.43Å; F108-F160 HydrophobicContact CG-CE1 4.08Å; F108-F160 HydrophobicContact CZ-CE1 4.05Å
109	F	82.9	Confident	73.7	Confident	23 Å²	23	63.9 Å²	63.9	10%	0.101	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	114.2	175.5	178.4	-94.1	0	0	0	109.7	Q82 F84 Q111 V151 Q153 S154 W155 L163 V167	Q82-F109 HydrophobicContact CG-CD2 4.47Å; Q82-F109 HydrophobicContact CG-CE2 3.68Å; Q82-F109 HydrophobicContact CG-CZ 4.16Å; F84-F109 HydrophobicContact CD1-CB 4.34Å; F84-F109 HydrophobicContact CD1-CD2 4.46Å; F84-F109 HydrophobicContact CE1-CB 4.14Å; F84-F109 AromaticContact CE1-CD2 3.69Å; F84-F109 HydrophobicContact CE1-CD2 3.69Å; F84-F109 HydrophobicContact CE1-CG 4.41Å; F84-F109 AromaticContact CZ-CD2 3.82Å; F84-F109 HydrophobicContact CZ-CD2 3.82Å; F84-F109 HydrophobicContact CZ-CE2 4.41Å; F109-Q111 HydrophobicContact CD1-CG 3.7Å; F109-Q111 HydrophobicContact CE1-CG 3.67Å; F109-V151 HydrophobicContact CB-CG1 4.11Å; F109-Q153 PolarHBondContact N-O 2.95Å; F109-Q153 VanDerWaalsContact N-O 3.13Å; F109-S154 CarbonylContact O-C 3.56Å; F109-S154 WeakPolarHBondContact O-CA 3.12Å; F109-S154 WeakPolarHBondContact O-CB 3.4Å; F109-W155 PolarHBondContact O-N 2.91Å; F109-L163 HydrophobicContact CB-CD2 3.84Å; F109-L163 HydrophobicContact CG-CD2 4.43Å; F109-V167 HydrophobicContact CD1-CG1 4.22Å; F109-V167 HydrophobicContact CD2-CG1 4.05Å; F109-V167 HydrophobicContact CE1-CG1 4.11Å; F109-V167 HydrophobicContact CE1-CG2 4.27Å; F109-V167 HydrophobicContact CE2-CG1 3.94Å; F109-V167 HydrophobicContact CG-CG1 4.19Å; F109-V167 HydrophobicContact CZ-CG1 3.97Å; F109-V167 HydrophobicContact CZ-CG2 4.29Å
110	D	81.3	Confident	74.6	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.027	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.8	-170.1	-154.8	-29.3	0	0	0	111.7	Q82 W83 S85 F108 V112 Y115 R239	Q82-D110 PolarHBondContact NE2-O 3.23Å; W83-D110 HydrophobicContact CB-CB 4.26Å; W83-D110 WeakPolarHBondContact O-CB 3.37Å; W83-D110 PolarHBondContact O-N 2.96Å; S85-D110 PolarHBondContact OG-OD2 3.13Å; F108-D110 PolarHBondContact O-N 3.43Å; D110-V112 WeakPolarHBondContact OD1-CG2 3.41Å; D110-V112 PolarHBondContact OD1-N 2.98Å; D110-V112 VanDerWaalsContact OD1-N 3.13Å; D110-Y115 WeakPolarHBondContact OD2-CE2 3.29Å; D110-R239 IonicContact OD2-NH2 2.86Å
111	Q	76.6	Confident	75.1	Confident	78 Å²	78	52 Å²	52	36%	0.364	30%	0.303	S	S	.	.			trans	-116.2	11.4	179.9	-63.2	-167.8	14.5	0	0	112.9	F109 P113 S154 W155	F109-Q111 HydrophobicContact CD1-CG 3.7Å; F109-Q111 HydrophobicContact CE1-CG 3.67Å; Q111-P113 VanDerWaalsContact O-CD 3.22Å; Q111-P113 WeakPolarHBondContact O-CD 3.25Å; Q111-S154 PolarHBondContact NE2-OG 3.35Å; Q111-W155 PolarHBondContact N-O 2.69Å
112	V	73.9	Confident	76.1	Confident	39 Å²	39	50 Å²	50	24%	0.236	29%	0.294	C	S	.	.			trans	-71.1	116.2	-179.8	178.1	0	0	0	0	110.7	D110 Y115 G157	D110-V112 WeakPolarHBondContact OD1-CG2 3.41Å; D110-V112 PolarHBondContact OD1-N 2.98Å; D110-V112 VanDerWaalsContact OD1-N 3.13Å; V112-Y115 HydrophobicContact CB-CD2 4.3Å; V112-Y115 HydrophobicContact CB-CE2 3.69Å; V112-Y115 HydrophobicContact CG1-CE2 4.11Å; V112-Y115 HydrophobicContact CG2-CE2 4.39Å; V112-G157 VanDerWaalsContact CG2-CA 3.48Å
113	P	56.5	Low	76.7	Confident	124 Å²	124	49.4 Å²	49.4	81%	0.805	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	131.2	171.5	31.3	-32.9	0	0	0	109.4	Q111	Q111-P113 VanDerWaalsContact O-CD 3.22Å; Q111-P113 WeakPolarHBondContact O-CD 3.25Å
114	G	59.3	Low	77.4	Confident	65 Å²	65	47.8 Å²	47.8	67%	0.67	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	125	-1.7	179.6	0	0	0	0	0	115.5
115	Y	65.6	Low	78.1	Confident	65 Å²	65	44.2 Å²	44.2	26%	0.255	25%	0.254	S	S	.	.	S	Bend	trans	-88.3	137.8	163.7	-55.8	-48.3	0	0	0	110.8	D110 V112 T117 R239	D110-Y115 WeakPolarHBondContact OD2-CE2 3.29Å; V112-Y115 HydrophobicContact CB-CD2 4.3Å; V112-Y115 HydrophobicContact CB-CE2 3.69Å; V112-Y115 HydrophobicContact CG1-CE2 4.11Å; V112-Y115 HydrophobicContact CG2-CE2 4.39Å; Y115-T117 PolarHBondContact O-N 3.1Å; Y115-R239 HydrophobicContact CE1-CG 3.64Å
116	D	71.6	Confident	78.5	Confident	82 Å²	82	43.7 Å²	43.7	44%	0.439	25%	0.25	S	S	.	.			trans	-54.9	125.1	162.3	-63.3	-20.8	0	0	0	110.4	W83 R235	W83-D116 PolarHBondContact NE1-O 3.5Å; D116-R235 IonicContact OD2-CZ 3.21Å; D116-R235 IonicContact OD2-NE 2.93Å; D116-R235 PolarHBondContact OD2-NE 3.43Å; D116-R235 IonicContact OD2-NH2 2.66Å; D116-R235 PolarHBondContact OD2-NH2 2.96Å
117	T	79.9	Confident	78.6	Confident	70 Å²	70	45.3 Å²	45.3	43%	0.429	26%	0.262	S	S	.	.			trans	-85.8	-13.1	169.1	49.5	0	0	0	0	112.6	I80 V81 Y115	I80-T117 CarbonylContact C-O 3.59Å; I80-T117 WeakPolarHBondContact CA-O 3.44Å; V81-T117 WeakPolarHBondContact CG2-O 3.45Å; V81-T117 PolarHBondContact N-O 2.86Å; V81-T117 WeakPolarHBondContact O-CB 3.01Å; Y115-T117 PolarHBondContact O-N 3.1Å
118	D	83.9	Confident	78.6	Confident	41 Å²	41	45.8 Å²	45.8	22%	0.219	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.9	179.6	-161.2	-69.6	0	0	0	111.9	Y70 H78 R235	Y70-D118 WeakPolarHBondContact CE1-OD2 3.37Å; Y70-D118 PolarHBondContact OH-OD2 3.03Å; H78-D118 IonicContact CE1-OD1 2.66Å; H78-D118 IonicContact CG-OD1 3.43Å; H78-D118 IonicContact ND1-OD1 2.7Å; H78-D118 PolarHBondContact ND1-OD1 3.16Å; H78-D118 IonicContact ND1-OD2 3.44Å; D118-R235 VanDerWaalsContact O-CZ 3.27Å; D118-R235 PolarHBondContact O-NH1 3.11Å; D118-R235 PolarHBondContact O-NH2 3.38Å
119	I	84.4	Confident	78.2	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.036	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	149.2	170.9	60.5	175.5	0	0	0	111.6	V53 H78 A79 V81 W83 V121 I124 R235	V53-I119 HydrophobicContact CG1-CD1 3.98Å; V53-I119 HydrophobicContact CG2-CD1 3.81Å; H78-I119 CarbonylContact C-O 3.58Å; H78-I119 WeakPolarHBondContact CA-O 3.48Å; A79-I119 HydrophobicContact CB-CG1 3.91Å; A79-I119 PolarHBondContact N-O 3.1Å; A79-I119 PolarHBondContact O-N 2.84Å; V81-I119 HydrophobicContact CG1-CD1 3.73Å; V81-I119 HydrophobicContact CG1-CG1 4.05Å; V81-I119 HydrophobicContact CG2-CD1 4.07Å; V81-I119 HydrophobicContact CG2-CG1 4.26Å; V81-I119 HydrophobicContact CG2-CG2 4.35Å; W83-I119 HydrophobicContact CH2-CG2 3.96Å; W83-I119 HydrophobicContact CZ2-CG2 3.71Å; I119-V121 PolarHBondContact O-N 2.94Å; I119-I124 HydrophobicContact CD1-CD1 4.42Å; I119-I124 HydrophobicContact CD1-CG1 4.11Å; I119-R235 VanDerWaalsContact CG2-NH1 3.27Å
120	A	84.6	Confident	78	Confident	43 Å²	43	48.2 Å²	48.2	36%	0.355	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	130.5	165.5	0	0	0	0	0	110.3	K77 E122 T123	K77-A120 WeakPolarHBondContact O-CA 3.4Å; A120-E122 PolarHBondContact O-N 3.27Å; A120-T123 WeakPolarHBondContact O-CB 3.44Å; A120-T123 PolarHBondContact O-N 2.96Å; A120-T123 PolarHBondContact O-OG1 3.23Å
121	V	84.2	Confident	77.9	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.006	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-53.5	-29.5	-179.3	165.1	0	0	0	0	112.7	Y11 W13 I32 L69 K77 A79 I119 T123 I124	Y11-V121 HydrophobicContact CD1-CG1 3.86Å; Y11-V121 HydrophobicContact CG-CG1 4.15Å; W13-V121 HydrophobicContact CH2-CG2 4.15Å; W13-V121 HydrophobicContact CZ3-CG2 4.4Å; I32-V121 HydrophobicContact CD1-CG1 4.04Å; I32-V121 HydrophobicContact CG2-CG1 3.88Å; I32-V121 HydrophobicContact CG2-CG2 4.38Å; L69-V121 HydrophobicContact CD2-CG2 3.98Å; K77-V121 HydrophobicContact CB-CB 3.89Å; K77-V121 HydrophobicContact CB-CG2 3.94Å; K77-V121 PolarHBondContact O-N 2.66Å; A79-V121 HydrophobicContact CB-CG2 4.03Å; I119-V121 PolarHBondContact O-N 2.94Å; V121-T123 PolarHBondContact O-N 3.25Å; V121-I124 WeakPolarHBondContact O-CB 3.41Å; V121-I124 PolarHBondContact O-N 3.32Å
122	E	82.4	Confident	77.9	Confident	150 Å²	150	46.4 Å²	46.4	70%	0.701	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-58.8	-20.9	178.8	-59.1	-172.3	159.1	0	0	114.1	Y11 A120 I124	Y11-E122 HydrophobicContact CD2-CG 4.3Å; Y11-E122 HydrophobicContact CE2-CB 4.16Å; Y11-E122 HydrophobicContact CE2-CG 4.42Å; Y11-E122 PolarHBondContact OH-O 3.38Å; A120-E122 PolarHBondContact O-N 3.27Å; E122-I124 VanDerWaalsContact C-N 3.35Å
123	T	83.9	Confident	77.9	Confident	20 Å²	20	45.3 Å²	45.3	12%	0.123	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-81.3	-8	178.3	63	0	0	0	0	114.2	V53 E54 A120 V121	V53-T123 WeakPolarHBondContact CA-O 3.32Å; E54-T123 PolarHBondContact N-O 3.43Å; A120-T123 WeakPolarHBondContact O-CB 3.44Å; A120-T123 PolarHBondContact O-N 2.96Å; A120-T123 PolarHBondContact O-OG1 3.23Å; V121-T123 PolarHBondContact O-N 3.25Å
124	I	83.9	Confident	78.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	121.5	-176.1	-62.1	172.4	0	0	0	110.5	Y11 I32 I34 I45 V51 A79 I119 V121 E122	Y11-I124 WeakPolarHBondContact CE1-O 3.41Å; Y11-I124 PolarHBondContact OH-O 3.35Å; I32-I124 HydrophobicContact CD1-CB 4.38Å; I32-I124 HydrophobicContact CD1-CD1 3.74Å; I32-I124 HydrophobicContact CD1-CG2 4.17Å; I34-I124 HydrophobicContact CD1-CG2 3.96Å; I45-I124 HydrophobicContact CD1-CG2 4.14Å; V51-I124 HydrophobicContact CB-CG2 4Å; V51-I124 HydrophobicContact CG1-CG2 4.02Å; A79-I124 HydrophobicContact CB-CD1 4.23Å; I119-I124 HydrophobicContact CD1-CD1 4.42Å; I119-I124 HydrophobicContact CD1-CG1 4.11Å; V121-I124 WeakPolarHBondContact O-CB 3.41Å; V121-I124 PolarHBondContact O-N 3.32Å; E122-I124 VanDerWaalsContact C-N 3.35Å
125	I	82.2	Confident	78.5	Confident	38 Å²	38	45.2 Å²	45.2	20%	0.195	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-54.9	-173.2	-61.4	177.1	0	0	0	112	L52 E54 P61	L52-I125 HydrophobicContact CB-CB 4.19Å; L52-I125 HydrophobicContact CB-CD1 4.48Å; L52-I125 WeakPolarHBondContact O-CB 3.41Å; L52-I125 PolarHBondContact O-N 3.19Å; E54-I125 HydrophobicContact CB-CD1 3.95Å; E54-I125 HydrophobicContact CB-CG1 4.04Å; E54-I125 HydrophobicContact CG-CD1 4.39Å; P61-I125 HydrophobicContact CB-CD1 3.7Å
126	K	82	Confident	77.9	Confident	64 Å²	64	46 Å²	46	28%	0.278	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	162.3	-175.7	63.1	-176.9	-179.6	-178.3	0	110.2	V51 L52 Q147	V51-K126 WeakPolarHBondContact CA-O 3.49Å; L52-K126 HydrophobicContact CD1-CG 4.22Å; L52-K126 PolarHBondContact N-O 3.3Å; K126-Q147 VanDerWaalsContact NZ-CD 3.32Å
127	S	83.6	Confident	77.4	Confident	37 Å²	37	46.5 Å²	46.5	26%	0.259	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	156.5	167	46.6	0	0	0	0	112.1	F50	F50-S127 CarbonylContact O-C 3.52Å; F50-S127 VanDerWaalsContact O-CA 3.23Å; F50-S127 WeakPolarHBondContact O-CA 3.36Å
128	V	82.8	Confident	76.2	Confident	10 Å²	10	47.4 Å²	47.4	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	164.6	178.1	-71.4	0	0	0	0	110.7	F50 L52 Q147 F149	F50-V128 HydrophobicContact CB-CG2 3.97Å; F50-V128 PolarHBondContact O-N 3.37Å; L52-V128 HydrophobicContact CD1-CG1 3.6Å; L52-V128 HydrophobicContact CG-CG1 3.65Å; L52-V128 HydrophobicContact CG-CG2 4.29Å; V128-Q147 WeakPolarHBondContact CB-O 3.49Å; V128-Q147 HydrophobicContact CG1-CB 4.24Å; V128-F149 HydrophobicContact CB-CD2 4.44Å; V128-F149 HydrophobicContact CB-CE2 4.31Å; V128-F149 HydrophobicContact CG1-CE2 4.24Å; V128-F149 HydrophobicContact CG2-CD2 4.36Å; V128-F149 HydrophobicContact CG2-CE2 4.33Å
129	M	77.1	Confident	74.8	Confident	72 Å²	72	49.1 Å²	49.1	36%	0.355	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127.6	176.1	-66.9	-58.8	-64.2	0	0	110.8	Q147 T148 F149 T178	M129-Q147 PolarHBondContact N-O 3.02Å; M129-T148 HydrophobicContact CB-CG2 4.47Å; M129-T148 CarbonylContact O-C 3.51Å; M129-T148 VanDerWaalsContact O-CA 3.3Å; M129-T148 WeakPolarHBondContact O-CA 3.48Å; M129-F149 PolarHBondContact O-N 3.03Å; M129-T178 HydrophobicContact SD-CG2 4.35Å
130	V	79.1	Confident	73.3	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126	174.6	-177.8	0	0	0	0	108.8	F50 V63 F84 F149 V151	F50-V130 HydrophobicContact CB-CB 4.35Å; F50-V130 HydrophobicContact CB-CG2 3.6Å; F50-V130 HydrophobicContact CD1-CB 3.7Å; F50-V130 HydrophobicContact CD1-CG1 4.37Å; F50-V130 HydrophobicContact CD1-CG2 3.55Å; F50-V130 HydrophobicContact CD2-CB 3.74Å; F50-V130 HydrophobicContact CD2-CG2 3.96Å; F50-V130 HydrophobicContact CE1-CB 3.84Å; F50-V130 HydrophobicContact CE1-CG1 4.24Å; F50-V130 HydrophobicContact CE1-CG2 4.21Å; F50-V130 HydrophobicContact CE2-CB 3.89Å; F50-V130 HydrophobicContact CG-CB 3.65Å; F50-V130 HydrophobicContact CG-CG2 3.41Å; F50-V130 VanDerWaalsContact CG-CG2 3.41Å; F50-V130 HydrophobicContact CZ-CB 3.94Å; F50-V130 HydrophobicContact CZ-CG1 4.5Å; V63-V130 HydrophobicContact CG1-CG2 3.98Å; F84-V130 HydrophobicContact CE1-CG1 4.49Å; V130-F149 WeakPolarHBondContact CA-O 3.33Å; V130-F149 HydrophobicContact CG2-CB 4.39Å; V130-V151 HydrophobicContact CG1-CG2 3.33Å
131	I	78.6	Confident	71.6	Confident	32 Å²	32	58 Å²	58	16%	0.164	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	115.2	-173.4	-58.7	179	0	0	0	109.6	L133 T148 F149 Y150 V151	I131-L133 HydrophobicContact CG2-CD2 4.08Å; I131-L133 HydrophobicContact CG2-CG 4.26Å; I131-T148 HydrophobicContact CD1-CG2 3.72Å; I131-T148 HydrophobicContact CG1-CG2 4.23Å; I131-F149 PolarHBondContact N-O 3.47Å; I131-Y150 HydrophobicContact CB-CD1 4.04Å; I131-Y150 HydrophobicContact CB-CE1 4.41Å; I131-Y150 HydrophobicContact CD1-CE1 4.19Å; I131-Y150 HydrophobicContact CG2-CD1 4.45Å; I131-Y150 CarbonylContact O-C 3.48Å; I131-Y150 VanDerWaalsContact O-CA 3.32Å; I131-Y150 WeakPolarHBondContact O-CA 3Å; I131-V151 PolarHBondContact O-N 3.1Å
132	P	75.9	Confident	69.6	Low	13 Å²	13	64.6 Å²	64.6	8%	0.084	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	135.3	170	31.7	-34.9	0	0	0	110.2	V151 L163 F168 L171	P132-V151 WeakPolarHBondContact CA-O 3.47Å; P132-L163 HydrophobicContact CB-CD1 4.37Å; P132-F168 HydrophobicContact CB-CD2 3.83Å; P132-F168 HydrophobicContact CB-CE2 3.77Å; P132-F168 HydrophobicContact CB-CZ 4.5Å; P132-F168 HydrophobicContact CG-CE2 4.48Å; P132-L171 HydrophobicContact CB-CB 4.13Å; P132-L171 HydrophobicContact CB-CD1 4.33Å; P132-L171 HydrophobicContact CG-CB 3.82Å
133	L	74.9	Confident	67.6	Low	16 Å²	16	64.8 Å²	64.8	8%	0.084	37%	0.369	C	S	.	.			trans	-132.9	149.5	177.9	-68.2	178.7	0	0	0	110.7	I131 L139 Y150 V151 K152	I131-L133 HydrophobicContact CG2-CD2 4.08Å; I131-L133 HydrophobicContact CG2-CG 4.26Å; L133-L139 HydrophobicContact CD1-CD2 4.08Å; L133-Y150 HydrophobicContact CD1-CD1 3.58Å; L133-Y150 HydrophobicContact CD1-CE1 4.29Å; L133-Y150 HydrophobicContact CD1-CG 4.18Å; L133-Y150 HydrophobicContact CG-CD1 4.27Å; L133-V151 PolarHBondContact N-O 3.09Å; L133-K152 HydrophobicContact CB-CG 4.15Å
134	H	68.3	Low	65.8	Low	99 Å²	99	69.3 Å²	69.3	46%	0.458	40%	0.402	S	S	.	.			trans	-77.5	160.1	170.2	-66.3	-69.6	0	0	0	111.6	G136 E137 F168	H134-G136 PolarHBondContact O-N 3.38Å; H134-G136 VanDerWaalsContact O-N 3.12Å; H134-E137 HydrophobicContact CB-CG 4.05Å; H134-E137 IonicContact CD2-OE1 2.76Å; H134-E137 IonicContact CD2-OE2 3.9Å; H134-E137 PolarHBondContact N-OE2 2.89Å; H134-E137 PolarHBondContact O-N 2.78Å; H134-F168 AromaticContact CD2-CZ 3.68Å; H134-F168 AromaticContact CE1-CE1 3.72Å; H134-F168 AromaticContact CE1-CE2 3.78Å; H134-F168 AromaticContact CE1-CZ 3.48Å; H134-F168 VanDerWaalsContact CE1-CZ 3.48Å; H134-F168 WeakPolarHBondContact CE1-CZ 3.44Å; H134-F168 AromaticContact NE2-CE1 3.44Å; H134-F168 WeakPolarHBondContact NE2-CE1 3.43Å; H134-F168 AromaticContact NE2-CE2 3.9Å; H134-F168 AromaticContact NE2-CZ 3.17Å; H134-F168 WeakPolarHBondContact NE2-CZ 3.36Å
135	L	60.1	Low	64.3	Low	88 Å²	88	77 Å²	77	46%	0.461	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.9	-167.7	-71.7	168.7	0	0	0	115.4	K152 Q153	L135-K152 HydrophobicContact CD2-CB 4.17Å; L135-Q153 HydrophobicContact CD2-CG 3.79Å
136	G	53	Low	63	Low	80 Å²	80	83.4 Å²	83.4	83%	0.825	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	7.9	179.8	0	0	0	0	0	115	H134	H134-G136 PolarHBondContact O-N 3.38Å; H134-G136 VanDerWaalsContact O-N 3.12Å
137	E	60.8	Low	62.2	Low	93 Å²	93	84 Å²	84	44%	0.435	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-78.3	130.7	176.9	-72	174.7	149.4	0	0	110.7	H134	H134-E137 HydrophobicContact CB-CG 4.05Å; H134-E137 IonicContact CD2-OE1 2.76Å; H134-E137 IonicContact CD2-OE2 3.9Å; H134-E137 PolarHBondContact N-OE2 2.89Å; H134-E137 PolarHBondContact O-N 2.78Å
138	A	54	Low	62	Low	90 Å²	90	83.7 Å²	83.7	74%	0.744	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-65.6	144.6	173.4	0	0	0	0	0	110.9
139	L	55.8	Low	61.9	Low	76 Å²	76	84.4 Å²	84.4	40%	0.398	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-62.9	129.2	178.3	-68.6	173.4	0	0	0	110.2	L133 I141 Y150	L133-L139 HydrophobicContact CD1-CD2 4.08Å; L139-I141 PolarHBondContact O-N 3.15Å; L139-I141 VanDerWaalsContact O-N 3.14Å; L139-Y150 HydrophobicContact CD2-CD1 4.43Å; L139-Y150 HydrophobicContact CD2-CD2 4.21Å; L139-Y150 HydrophobicContact CD2-CE2 4.32Å; L139-Y150 HydrophobicContact CD2-CG 4.27Å
140	P	52	Low	62.2	Low	60 Å²	60	82 Å²	82	39%	0.39	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-60.6	118.2	175.4	-23.9	34.1	0	0	0	110.9	I142	P140-I142 HydrophobicContact CB-CD1 4.42Å; P140-I142 HydrophobicContact CB-CG1 4.37Å; P140-I142 PolarHBondContact O-N 3.14Å
141	I	48.6	Very low	62.3	Low	177 Å²	177	81.9 Å²	81.9	91%	0.908	45%	0.454	S	S	*	.			trans	-76.8	69.4	179.1	-48.8	177.5	0	0	0	109.2	L139	L139-I141 PolarHBondContact O-N 3.15Å; L139-I141 VanDerWaalsContact O-N 3.14Å
142	I	42.7	Very low	62.3	Low	139 Å²	139	81.8 Å²	81.8	71%	0.713	45%	0.452	S	S	*	.			trans	-123.5	96.2	179.1	-56.6	-179	0	0	0	108.7	P140	P140-I142 HydrophobicContact CB-CD1 4.42Å; P140-I142 HydrophobicContact CB-CG1 4.37Å; P140-I142 PolarHBondContact O-N 3.14Å
143	L	40.1	Very low	62.6	Low	154 Å²	154	82.6 Å²	82.6	81%	0.806	45%	0.454	S	S	*	.			trans	19.3	103.8	160.7	-76.7	158.1	0	0	0	116.5	K145	L143-K145 PolarHBondContact O-N 2.92Å
144	S	47.1	Very low	63	Low	116 Å²	116	81.9 Å²	81.9	81%	0.811	45%	0.451	S	S	*	.			trans	-30.9	98.7	170.9	53	0	0	0	0	114.9
145	K	51.4	Low	63.6	Low	161 Å²	161	77.6 Å²	77.6	70%	0.7	43%	0.431	S	S	*	.			trans	-104.4	129.7	154.4	-65.9	-176.1	-179.9	-178.3	0	107.3	L143 Q147	L143-K145 PolarHBondContact O-N 2.92Å; K145-Q147 PolarHBondContact O-N 3.08Å
146	E	55.9	Low	64.3	Low	172 Å²	172	75.3 Å²	75.3	80%	0.804	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	22.8	-172.3	-51	174.1	132.8	0	0	114.6
147	Q	64.9	Low	65.2	Low	78 Å²	78	72.1 Å²	72.1	36%	0.364	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.3	16.8	-159.9	-51.7	-169.3	17.2	0	0	111.9	K126 V128 M129 K145	K126-Q147 VanDerWaalsContact NZ-CD 3.32Å; V128-Q147 WeakPolarHBondContact CB-O 3.49Å; V128-Q147 HydrophobicContact CG1-CB 4.24Å; M129-Q147 PolarHBondContact N-O 3.02Å; K145-Q147 PolarHBondContact O-N 3.08Å
148	T	78.9	Confident	65.9	Low	30 Å²	30	75.8 Å²	75.8	18%	0.184	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.4	176.5	-52.8	0	0	0	0	109.9	M129 I131 Y150	M129-T148 HydrophobicContact CB-CG2 4.47Å; M129-T148 CarbonylContact O-C 3.51Å; M129-T148 VanDerWaalsContact O-CA 3.3Å; M129-T148 WeakPolarHBondContact O-CA 3.48Å; I131-T148 HydrophobicContact CD1-CG2 3.72Å; I131-T148 HydrophobicContact CG1-CG2 4.23Å; T148-Y150 HydrophobicContact CG2-CE1 4.35Å
149	F	79.9	Confident	67	Low	25 Å²	25	74.8 Å²	74.8	11%	0.11	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	159.6	175.4	-59	-77	0	0	0	111.3	L52 V63 H86 Q105 V107 V128 M129 V130 I131	L52-F149 HydrophobicContact CD2-CE2 4.19Å; L52-F149 HydrophobicContact CD2-CZ 4.41Å; V63-F149 HydrophobicContact CG2-CD2 3.8Å; V63-F149 HydrophobicContact CG2-CE1 4.48Å; V63-F149 HydrophobicContact CG2-CE2 3.61Å; V63-F149 HydrophobicContact CG2-CG 4.3Å; V63-F149 HydrophobicContact CG2-CZ 3.99Å; H86-F149 AromaticContact CE1-CE1 3.72Å; Q105-F149 CarbonylContact O-C 3.6Å; Q105-F149 VanDerWaalsContact O-CA 3.29Å; Q105-F149 WeakPolarHBondContact O-CA 3.23Å; V107-F149 HydrophobicContact CG1-CB 4.25Å; V107-F149 HydrophobicContact CG1-CD1 3.95Å; V107-F149 HydrophobicContact CG1-CG 4.26Å; V107-F149 HydrophobicContact CG2-CB 4.05Å; V128-F149 HydrophobicContact CB-CD2 4.44Å; V128-F149 HydrophobicContact CB-CE2 4.31Å; V128-F149 HydrophobicContact CG1-CE2 4.24Å; V128-F149 HydrophobicContact CG2-CD2 4.36Å; V128-F149 HydrophobicContact CG2-CE2 4.33Å; M129-F149 PolarHBondContact O-N 3.03Å; V130-F149 WeakPolarHBondContact CA-O 3.33Å; V130-F149 HydrophobicContact CG2-CB 4.39Å; I131-F149 PolarHBondContact N-O 3.47Å
150	Y	83.4	Confident	68.1	Low	21 Å²	21	72.7 Å²	72.7	8%	0.082	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.5	-177.6	-53.6	-81.3	0	0	0	111.4	Q105 E106 V107 I131 L133 L139 T148	Q105-Y150 HydrophobicContact CB-CD2 3.94Å; Q105-Y150 HydrophobicContact CB-CE2 4.06Å; Q105-Y150 PolarHBondContact O-N 3.01Å; E106-Y150 CarbonylContact C-O 3.57Å; E106-Y150 WeakPolarHBondContact CA-O 3.03Å; V107-Y150 PolarHBondContact N-O 3.36Å; I131-Y150 HydrophobicContact CB-CD1 4.04Å; I131-Y150 HydrophobicContact CB-CE1 4.41Å; I131-Y150 HydrophobicContact CD1-CE1 4.19Å; I131-Y150 HydrophobicContact CG2-CD1 4.45Å; I131-Y150 CarbonylContact O-C 3.48Å; I131-Y150 VanDerWaalsContact O-CA 3.32Å; I131-Y150 WeakPolarHBondContact O-CA 3Å; L133-Y150 HydrophobicContact CD1-CD1 3.58Å; L133-Y150 HydrophobicContact CD1-CE1 4.29Å; L133-Y150 HydrophobicContact CD1-CG 4.18Å; L133-Y150 HydrophobicContact CG-CD1 4.27Å; L139-Y150 HydrophobicContact CD2-CD1 4.43Å; L139-Y150 HydrophobicContact CD2-CD2 4.21Å; L139-Y150 HydrophobicContact CD2-CE2 4.32Å; L139-Y150 HydrophobicContact CD2-CG 4.27Å; T148-Y150 HydrophobicContact CG2-CE1 4.35Å
151	V	82.1	Confident	69.4	Low	0 Å²	0	75 Å²	75	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121	177.8	-169.5	0	0	0	0	109.7	F84 V107 F109 V130 I131 P132 L133 L163	F84-V151 HydrophobicContact CD1-CG2 3.89Å; F84-V151 HydrophobicContact CE1-CG1 4.45Å; F84-V151 HydrophobicContact CE1-CG2 3.84Å; V107-V151 HydrophobicContact CG2-CG2 3.8Å; V107-V151 WeakPolarHBondContact O-CA 3.36Å; F109-V151 HydrophobicContact CB-CG1 4.11Å; V130-V151 HydrophobicContact CG1-CG2 3.33Å; I131-V151 PolarHBondContact O-N 3.1Å; P132-V151 WeakPolarHBondContact CA-O 3.47Å; L133-V151 PolarHBondContact N-O 3.09Å; V151-L163 HydrophobicContact CB-CD1 4.4Å; V151-L163 HydrophobicContact CG1-CD1 3.94Å; V151-L163 HydrophobicContact CG1-CD2 3.92Å; V151-L163 HydrophobicContact CG1-CG 4.39Å
152	K	78.6	Confident	70.6	Confident	30 Å²	30	70.4 Å²	70.4	13%	0.13	36%	0.363	C	S	.	.			trans	-115.8	-21.8	178.1	-63.1	178	-168.7	152.4	0	113.7	E106 L133 L135	E106-K152 WeakPolarHBondContact OE2-CD 3.32Å; E106-K152 VanDerWaalsContact OE2-CE 3.3Å; E106-K152 WeakPolarHBondContact OE2-CE 3.35Å; E106-K152 IonicContact OE2-NZ 3.8Å; E106-K152 PolarHBondContact OE2-NZ 2.84Å; L133-K152 HydrophobicContact CB-CG 4.15Å; L135-K152 HydrophobicContact CD2-CB 4.17Å
153	Q	81.7	Confident	72	Confident	29 Å²	29	64.7 Å²	64.7	14%	0.136	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	155	-170.8	-72.2	-175.6	-34.5	0	0	111.4	F108 F109 L135 K161	F108-Q153 HydrophobicContact CD1-CB 3.96Å; F108-Q153 HydrophobicContact CE1-CB 4.14Å; F109-Q153 PolarHBondContact N-O 2.95Å; F109-Q153 VanDerWaalsContact N-O 3.13Å; L135-Q153 HydrophobicContact CD2-CG 3.79Å; Q153-K161 CarbonylContact C-O 3.51Å; Q153-K161 WeakPolarHBondContact CA-O 3.2Å; Q153-K161 WeakPolarHBondContact CB-O 3.15Å; Q153-K161 WeakPolarHBondContact CG-O 3.25Å
154	S	83.1	Confident	73.7	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.014	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	159.2	166.7	67.7	0	0	0	0	111.7	F109 Q111 D156 F160 K161	F109-S154 CarbonylContact O-C 3.56Å; F109-S154 WeakPolarHBondContact O-CA 3.12Å; F109-S154 WeakPolarHBondContact O-CB 3.4Å; Q111-S154 PolarHBondContact NE2-OG 3.35Å; S154-D156 PolarHBondContact OG-OD1 2.89Å; S154-F160 WeakPolarHBondContact O-CA 3.18Å; S154-K161 PolarHBondContact N-O 3.33Å; S154-K161 PolarHBondContact O-N 3.45Å
155	W	81.8	Confident	74.7	Confident	9 Å²	9	59.1 Å²	59.1	3%	0.034	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	112.2	-179.4	175.3	-117.2	0	0	0	110.7	I90 K94 F108 F109 Q111 G157 F160	I90-W155 HydrophobicContact CD1-CD2 4.06Å; I90-W155 HydrophobicContact CD1-CE3 4.49Å; I90-W155 HydrophobicContact CD1-CG 4.14Å; I90-W155 HydrophobicContact CG2-CH2 4.12Å; I90-W155 HydrophobicContact CG2-CZ2 3.85Å; K94-W155 HydrophobicContact CB-CH2 3.91Å; K94-W155 HydrophobicContact CD-CH2 3.7Å; K94-W155 HydrophobicContact CD-CZ2 3.9Å; K94-W155 HydrophobicContact CG-CH2 4.4Å; F108-W155 HydrophobicContact CB-CB 4.01Å; F109-W155 PolarHBondContact O-N 2.91Å; Q111-W155 PolarHBondContact N-O 2.69Å; W155-G157 VanDerWaalsContact CE2-CA 3.5Å; W155-G157 VanDerWaalsContact CZ2-C 3.46Å; W155-G157 WeakPolarHBondContact CZ2-O 3.43Å; W155-F160 HydrophobicContact CD2-CE1 4.23Å; W155-F160 HydrophobicContact CD2-CZ 4.41Å; W155-F160 AromaticContact CE3-CD1 3.72Å; W155-F160 HydrophobicContact CE3-CD1 3.72Å; W155-F160 HydrophobicContact CE3-CD2 4.01Å; W155-F160 AromaticContact CE3-CE1 3.56Å; W155-F160 HydrophobicContact CE3-CE1 3.56Å; W155-F160 AromaticContact CE3-CE2 3.85Å; W155-F160 HydrophobicContact CE3-CE2 3.85Å; W155-F160 AromaticContact CE3-CG 3.94Å; W155-F160 HydrophobicContact CE3-CG 3.94Å; W155-F160 AromaticContact CE3-CZ 3.62Å; W155-F160 HydrophobicContact CE3-CZ 3.62Å; W155-F160 HydrophobicContact CH2-CE2 4.38Å; W155-F160 HydrophobicContact CH2-CZ 4.49Å; W155-F160 HydrophobicContact CZ3-CD1 4.33Å; W155-F160 AromaticContact CZ3-CD2 3.78Å; W155-F160 HydrophobicContact CZ3-CD2 3.78Å; W155-F160 HydrophobicContact CZ3-CE1 4.1Å; W155-F160 AromaticContact CZ3-CE2 3.5Å; W155-F160 HydrophobicContact CZ3-CE2 3.5Å; W155-F160 VanDerWaalsContact CZ3-CE2 3.5Å; W155-F160 HydrophobicContact CZ3-CG 4.18Å; W155-F160 AromaticContact CZ3-CZ 3.68Å; W155-F160 HydrophobicContact CZ3-CZ 3.68Å
156	D	74.5	Confident	75.5	Confident	39 Å²	39	57.8 Å²	57.8	21%	0.209	30%	0.302	C	S	.	.			trans	-99	21	-175.1	-60.6	28.5	0	0	0	111.7	S154 K158 C159 K161	S154-D156 PolarHBondContact OG-OD1 2.89Å; D156-K158 PolarHBondContact O-N 3.03Å; D156-C159 PolarHBondContact N-O 2.73Å; D156-K161 WeakPolarHBondContact OD2-CD 3.49Å; D156-K161 WeakPolarHBondContact OD2-CE 3.33Å; D156-K161 IonicContact OD2-NZ 3.98Å; D156-K161 PolarHBondContact OD2-NZ 3.4Å
157	G	72	Confident	76.3	Confident	14 Å²	14	50.6 Å²	50.6	14%	0.144	27%	0.269	C	S	.	.	S	Bend	trans	69.8	-20	-174.4	0	0	0	0	0	115.6	K94 V112 W155	K94-G157 PolarHBondContact NZ-O 2.87Å; V112-G157 VanDerWaalsContact CG2-CA 3.48Å; W155-G157 VanDerWaalsContact CE2-CA 3.5Å; W155-G157 VanDerWaalsContact CZ2-C 3.46Å; W155-G157 WeakPolarHBondContact CZ2-O 3.43Å
158	K	74.9	Confident	76.7	Confident	169 Å²	169	48.1 Å²	48.1	74%	0.735	26%	0.257	S	S	*	.	S	Bend	trans	-108.8	-51.3	179	-66.8	179.1	-178.2	177.6	0	112.1	D156	D156-K158 PolarHBondContact O-N 3.03Å
159	C	76.8	Confident	76.3	Confident	70 Å²	70	49.6 Å²	49.6	47%	0.473	27%	0.269	S	S	.	.			trans	-137.3	161.2	-175.6	-63.4	0	0	0	0	111.1	D156	D156-C159 PolarHBondContact N-O 2.73Å
160	F	79.8	Confident	75.9	Confident	31 Å²	31	54.5 Å²	54.5	14%	0.136	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	137.3	166.4	-62	-87.6	0	0	0	109.9	I90 L97 L98 F108 S154 W155	I90-F160 HydrophobicContact CD1-CE1 3.54Å; I90-F160 HydrophobicContact CD1-CZ 3.6Å; I90-F160 HydrophobicContact CG2-CZ 4.22Å; L97-F160 HydrophobicContact CB-CD2 4.23Å; L97-F160 HydrophobicContact CB-CE2 4.33Å; L98-F160 HydrophobicContact CD1-CD1 4.33Å; L98-F160 HydrophobicContact CD1-CD2 4.35Å; L98-F160 HydrophobicContact CD1-CE1 3.67Å; L98-F160 HydrophobicContact CD1-CE2 3.71Å; L98-F160 HydrophobicContact CD1-CZ 3.32Å; L98-F160 HydrophobicContact CD2-CD1 4.33Å; L98-F160 HydrophobicContact CD2-CD2 4.43Å; L98-F160 HydrophobicContact CD2-CE1 4.47Å; L98-F160 HydrophobicContact CD2-CG 4.31Å; L98-F160 HydrophobicContact CG-CD1 4.31Å; L98-F160 HydrophobicContact CG-CD2 3.86Å; L98-F160 HydrophobicContact CG-CE1 4.11Å; L98-F160 HydrophobicContact CG-CE2 3.64Å; L98-F160 HydrophobicContact CG-CG 4.19Å; L98-F160 HydrophobicContact CG-CZ 3.77Å; F108-F160 AromaticContact CD1-CD1 3.7Å; F108-F160 HydrophobicContact CD1-CD1 3.7Å; F108-F160 AromaticContact CD1-CE1 3.72Å; F108-F160 HydrophobicContact CD1-CE1 3.72Å; F108-F160 HydrophobicContact CD2-CE1 4.38Å; F108-F160 AromaticContact CE1-CD1 3.74Å; F108-F160 HydrophobicContact CE1-CD1 3.74Å; F108-F160 AromaticContact CE1-CE1 3.7Å; F108-F160 HydrophobicContact CE1-CE1 3.7Å; F108-F160 HydrophobicContact CE2-CE1 4.38Å; F108-F160 HydrophobicContact CG-CD1 4.43Å; F108-F160 HydrophobicContact CG-CE1 4.08Å; F108-F160 HydrophobicContact CZ-CE1 4.05Å; S154-F160 WeakPolarHBondContact O-CA 3.18Å; W155-F160 HydrophobicContact CD2-CE1 4.23Å; W155-F160 HydrophobicContact CD2-CZ 4.41Å; W155-F160 AromaticContact CE3-CD1 3.72Å; W155-F160 HydrophobicContact CE3-CD1 3.72Å; W155-F160 HydrophobicContact CE3-CD2 4.01Å; W155-F160 AromaticContact CE3-CE1 3.56Å; W155-F160 HydrophobicContact CE3-CE1 3.56Å; W155-F160 AromaticContact CE3-CE2 3.85Å; W155-F160 HydrophobicContact CE3-CE2 3.85Å; W155-F160 AromaticContact CE3-CG 3.94Å; W155-F160 HydrophobicContact CE3-CG 3.94Å; W155-F160 AromaticContact CE3-CZ 3.62Å; W155-F160 HydrophobicContact CE3-CZ 3.62Å; W155-F160 HydrophobicContact CH2-CE2 4.38Å; W155-F160 HydrophobicContact CH2-CZ 4.49Å; W155-F160 HydrophobicContact CZ3-CD1 4.33Å; W155-F160 AromaticContact CZ3-CD2 3.78Å; W155-F160 HydrophobicContact CZ3-CD2 3.78Å; W155-F160 HydrophobicContact CZ3-CE1 4.1Å; W155-F160 AromaticContact CZ3-CE2 3.5Å; W155-F160 HydrophobicContact CZ3-CE2 3.5Å; W155-F160 VanDerWaalsContact CZ3-CE2 3.5Å; W155-F160 HydrophobicContact CZ3-CG 4.18Å; W155-F160 AromaticContact CZ3-CZ 3.68Å; W155-F160 HydrophobicContact CZ3-CZ 3.68Å
161	K	78.9	Confident	75.3	Confident	109 Å²	109	53.6 Å²	53.6	47%	0.474	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	157	173	-68.1	175.9	179.3	165.7	0	110.3	Q153 S154 D156	Q153-K161 CarbonylContact C-O 3.51Å; Q153-K161 WeakPolarHBondContact CA-O 3.2Å; Q153-K161 WeakPolarHBondContact CB-O 3.15Å; Q153-K161 WeakPolarHBondContact CG-O 3.25Å; S154-K161 PolarHBondContact N-O 3.33Å; S154-K161 PolarHBondContact O-N 3.45Å; D156-K161 WeakPolarHBondContact OD2-CD 3.49Å; D156-K161 WeakPolarHBondContact OD2-CE 3.33Å; D156-K161 IonicContact OD2-NZ 3.98Å; D156-K161 PolarHBondContact OD2-NZ 3.4Å
162	S	73.8	Confident	74.6	Confident	80 Å²	80	59.5 Å²	59.5	56%	0.559	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	145.5	162.5	46	0	0	0	0	110.2	S164	S162-S164 PolarHBondContact O-N 2.97Å
163	L	73.4	Confident	74	Confident	20 Å²	20	63.9 Å²	63.9	11%	0.105	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-55.9	136.2	172.1	-65.1	173	0	0	0	110.4	F109 P132 V151 V167 F168	F109-L163 HydrophobicContact CB-CD2 3.84Å; F109-L163 HydrophobicContact CG-CD2 4.43Å; P132-L163 HydrophobicContact CB-CD1 4.37Å; V151-L163 HydrophobicContact CB-CD1 4.4Å; V151-L163 HydrophobicContact CG1-CD1 3.94Å; V151-L163 HydrophobicContact CG1-CD2 3.92Å; V151-L163 HydrophobicContact CG1-CG 4.39Å; L163-V167 HydrophobicContact CD2-CG1 4.29Å; L163-F168 HydrophobicContact CB-CB 4.46Å; L163-F168 HydrophobicContact CD1-CD2 4.02Å
164	S	74.3	Confident	72.9	Confident	48 Å²	48	63.1 Å²	63.1	34%	0.336	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-68.7	150.1	173.4	65.6	0	0	0	0	110.6	S162 E166 V167 F168	S162-S164 PolarHBondContact O-N 2.97Å; S164-E166 PolarHBondContact O-N 2.76Å; S164-E166 VanDerWaalsContact O-N 3.16Å; S164-V167 PolarHBondContact O-N 3.39Å; S164-V167 VanDerWaalsContact O-N 3.12Å; S164-V167 WeakPolarHBondContact OG-CG2 3.31Å; S164-V167 PolarHBondContact OG-N 2.72Å; S164-F168 WeakPolarHBondContact O-CB 3.3Å; S164-F168 PolarHBondContact O-N 3.24Å
165	P	68.1	Low	71.6	Confident	105 Å²	105	68 Å²	68	68%	0.682	35%	0.353	S	S	*	.	H	α-helix	trans	-56.2	-34	-178.7	-27.5	35.9	0	0	0	113.5	S169	P165-S169 VanDerWaalsContact O-CB 3.3Å; P165-S169 WeakPolarHBondContact O-CB 3.41Å; P165-S169 PolarHBondContact O-N 2.88Å; P165-S169 PolarHBondContact O-OG 2.84Å
166	E	68.5	Low	70.2	Confident	133 Å²	133	75.8 Å²	75.8	62%	0.621	39%	0.387	S	S	*	.	H	α-helix	trans	-66.5	-47.8	175.8	-64	178.3	-154.6	0	0	112.9	S164 S169 K170	S164-E166 PolarHBondContact O-N 2.76Å; S164-E166 VanDerWaalsContact O-N 3.16Å; E166-S169 PolarHBondContact O-N 2.86Å; E166-K170 WeakPolarHBondContact O-CG 3.41Å; E166-K170 PolarHBondContact O-N 3.29Å
167	V	72	Confident	69.1	Low	21 Å²	21	82.2 Å²	82.2	13%	0.127	41%	0.413	C	S	.	.	H	α-helix	trans	-66.7	-42.5	178.9	171.7	0	0	0	0	109.8	F109 L163 S164 S169 K170 L171	F109-V167 HydrophobicContact CD1-CG1 4.22Å; F109-V167 HydrophobicContact CD2-CG1 4.05Å; F109-V167 HydrophobicContact CE1-CG1 4.11Å; F109-V167 HydrophobicContact CE1-CG2 4.27Å; F109-V167 HydrophobicContact CE2-CG1 3.94Å; F109-V167 HydrophobicContact CG-CG1 4.19Å; F109-V167 HydrophobicContact CZ-CG1 3.97Å; F109-V167 HydrophobicContact CZ-CG2 4.29Å; L163-V167 HydrophobicContact CD2-CG1 4.29Å; S164-V167 PolarHBondContact O-N 3.39Å; S164-V167 VanDerWaalsContact O-N 3.12Å; S164-V167 WeakPolarHBondContact OG-CG2 3.31Å; S164-V167 PolarHBondContact OG-N 2.72Å; V167-S169 VanDerWaalsContact C-N 3.3Å; V167-S169 PolarHBondContact O-N 2.65Å; V167-K170 PolarHBondContact O-N 2.94Å; V167-L171 HydrophobicContact CG1-CD1 3.89Å; V167-L171 HydrophobicContact CG1-CG 4.36Å; V167-L171 WeakPolarHBondContact O-CB 3.41Å; V167-L171 VanDerWaalsContact O-CG 3.26Å; V167-L171 WeakPolarHBondContact O-CG 3.36Å; V167-L171 PolarHBondContact O-N 3.34Å
168	F	74.4	Confident	67.8	Low	25 Å²	25	84.8 Å²	84.8	11%	0.11	43%	0.426	C	S	.	.	H	α-helix	trans	-58.2	-42.3	174	-169.9	-92	0	0	0	111.9	P132 H134 L163 S164 K172	P132-F168 HydrophobicContact CB-CD2 3.83Å; P132-F168 HydrophobicContact CB-CE2 3.77Å; P132-F168 HydrophobicContact CB-CZ 4.5Å; P132-F168 HydrophobicContact CG-CE2 4.48Å; H134-F168 AromaticContact CD2-CZ 3.68Å; H134-F168 AromaticContact CE1-CE1 3.72Å; H134-F168 AromaticContact CE1-CE2 3.78Å; H134-F168 AromaticContact CE1-CZ 3.48Å; H134-F168 VanDerWaalsContact CE1-CZ 3.48Å; H134-F168 WeakPolarHBondContact CE1-CZ 3.44Å; H134-F168 AromaticContact NE2-CE1 3.44Å; H134-F168 WeakPolarHBondContact NE2-CE1 3.43Å; H134-F168 AromaticContact NE2-CE2 3.9Å; H134-F168 AromaticContact NE2-CZ 3.17Å; H134-F168 WeakPolarHBondContact NE2-CZ 3.36Å; L163-F168 HydrophobicContact CB-CB 4.46Å; L163-F168 HydrophobicContact CD1-CD2 4.02Å; S164-F168 WeakPolarHBondContact O-CB 3.3Å; S164-F168 PolarHBondContact O-N 3.24Å; F168-K172 HydrophobicContact CE1-CD 4.15Å; F168-K172 VanDerWaalsContact O-CB 3.3Å; F168-K172 WeakPolarHBondContact O-CB 3.47Å; F168-K172 PolarHBondContact O-N 3.16Å
169	S	69.9	Low	65.8	Low	61 Å²	61	80 Å²	80	43%	0.427	43%	0.426	S	S	.	.	H	α-helix	trans	-66	-47.4	176.6	-59.5	0	0	0	0	112.2	P165 E166 V167 L171 K172 E173	P165-S169 VanDerWaalsContact O-CB 3.3Å; P165-S169 WeakPolarHBondContact O-CB 3.41Å; P165-S169 PolarHBondContact O-N 2.88Å; P165-S169 PolarHBondContact O-OG 2.84Å; E166-S169 PolarHBondContact O-N 2.86Å; V167-S169 VanDerWaalsContact C-N 3.3Å; V167-S169 PolarHBondContact O-N 2.65Å; S169-L171 VanDerWaalsContact C-N 3.34Å; S169-L171 PolarHBondContact O-N 2.86Å; S169-K172 CarbonylContact O-C 3.54Å; S169-K172 PolarHBondContact O-N 3.08Å; S169-K172 VanDerWaalsContact O-N 3.08Å; S169-E173 WeakPolarHBondContact O-CG 3.42Å; S169-E173 PolarHBondContact O-N 2.86Å
170	K	71.3	Confident	63.4	Low	128 Å²	128	80.4 Å²	80.4	56%	0.557	44%	0.441	S	S	*	.	H	α-helix	trans	-57.3	-43.6	176.5	-73.5	167.8	-179.1	169.3	0	112.2	E166 V167 E173 A174	E166-K170 WeakPolarHBondContact O-CG 3.41Å; E166-K170 PolarHBondContact O-N 3.29Å; V167-K170 PolarHBondContact O-N 2.94Å; K170-E173 PolarHBondContact O-N 3.4Å; K170-A174 PolarHBondContact O-N 2.86Å
171	L	70.9	Confident	60.8	Low	3 Å²	3	84.5 Å²	84.5	2%	0.016	47%	0.474	C	S	.	.	H	α-helix	trans	-66.8	-35.4	176.1	-65.4	171.1	0	0	0	112.1	F50 F84 P132 V167 S169 K175	F50-L171 HydrophobicContact CE1-CD2 3.74Å; F50-L171 HydrophobicContact CZ-CD2 3.66Å; F84-L171 HydrophobicContact CE1-CD2 4.49Å; F84-L171 HydrophobicContact CZ-CD2 4Å; P132-L171 HydrophobicContact CB-CB 4.13Å; P132-L171 HydrophobicContact CB-CD1 4.33Å; P132-L171 HydrophobicContact CG-CB 3.82Å; V167-L171 HydrophobicContact CG1-CD1 3.89Å; V167-L171 HydrophobicContact CG1-CG 4.36Å; V167-L171 WeakPolarHBondContact O-CB 3.41Å; V167-L171 VanDerWaalsContact O-CG 3.26Å; V167-L171 WeakPolarHBondContact O-CG 3.36Å; V167-L171 PolarHBondContact O-N 3.34Å; S169-L171 VanDerWaalsContact C-N 3.34Å; S169-L171 PolarHBondContact O-N 2.86Å; L171-K175 PolarHBondContact O-N 2.85Å
172	K	68.1	Low	58.5	Low	124 Å²	124	84.3 Å²	84.3	54%	0.539	48%	0.484	S	S	.	.	H	α-helix	trans	-73.1	-29.5	176.3	-166.1	168.7	-176.5	171.4	0	112.7	F168 S169	F168-K172 HydrophobicContact CE1-CD 4.15Å; F168-K172 VanDerWaalsContact O-CB 3.3Å; F168-K172 WeakPolarHBondContact O-CB 3.47Å; F168-K172 PolarHBondContact O-N 3.16Å; S169-K172 CarbonylContact O-C 3.54Å; S169-K172 PolarHBondContact O-N 3.08Å; S169-K172 VanDerWaalsContact O-N 3.08Å
173	E	64.8	Low	56.1	Low	121 Å²	121	87.9 Å²	87.9	57%	0.565	50%	0.496	S	S	*	.	H	α-helix	trans	-74.7	-38.2	172	-75.2	-177.1	174	0	0	113	S169 K170 K175 K176 K177	S169-E173 WeakPolarHBondContact O-CG 3.42Å; S169-E173 PolarHBondContact O-N 2.86Å; K170-E173 PolarHBondContact O-N 3.4Å; E173-K175 VanDerWaalsContact C-N 3.26Å; E173-K175 PolarHBondContact O-N 3.29Å; E173-K176 WeakPolarHBondContact O-CB 3.19Å; E173-K176 PolarHBondContact O-N 3.15Å; E173-K177 PolarHBondContact O-N 2.93Å
174	A	60.6	Low	53.9	Low	14 Å²	14	91.7 Å²	91.7	12%	0.116	53%	0.525	C	S	.	.	H	α-helix	trans	-53.6	-46.6	172.6	0	0	0	0	0	110.9	F50 K170 K176 K177 T178	F50-A174 HydrophobicContact CE2-CB 4.24Å; F50-A174 HydrophobicContact CZ-CB 4.32Å; K170-A174 PolarHBondContact O-N 2.86Å; A174-K176 VanDerWaalsContact C-N 3.27Å; A174-K176 PolarHBondContact O-N 2.89Å; A174-K177 PolarHBondContact O-N 3.01Å; A174-K177 VanDerWaalsContact O-N 3.12Å; A174-T178 PolarHBondContact O-OG1 3.03Å
175	K	54.9	Low	51.5	Low	104 Å²	104	97 Å²	97	45%	0.452	55%	0.548	S	S	.	.	H	α-helix	trans	-58.7	-29.9	174.8	-176.7	177.2	177.2	179.9	0	114.1	L171 E173	L171-K175 PolarHBondContact O-N 2.85Å; E173-K175 VanDerWaalsContact C-N 3.26Å; E173-K175 PolarHBondContact O-N 3.29Å
176	K	52.9	Low	49.5	Very low	172 Å²	172	97.4 Å²	97.4	75%	0.748	55%	0.549	S	S	*	.	H	α-helix	trans	-71.2	-29.5	177.5	-76.6	-173.9	175.4	-178.9	0	112.7	E173 A174 T178	E173-K176 WeakPolarHBondContact O-CB 3.19Å; E173-K176 PolarHBondContact O-N 3.15Å; A174-K176 VanDerWaalsContact C-N 3.27Å; A174-K176 PolarHBondContact O-N 2.89Å; K176-T178 VanDerWaalsContact C-N 3.35Å
177	K	50.6	Low	47.4	Very low	175 Å²	175	100.2 Å²	100.2	76%	0.761	56%	0.559	S	S	*	*	H	α-helix	trans	-72.6	-26.6	-178.4	-66.4	-178.8	-179.7	176.6	0	113.1	E173 A174 G179	E173-K177 PolarHBondContact O-N 2.93Å; A174-K177 PolarHBondContact O-N 3.01Å; A174-K177 VanDerWaalsContact O-N 3.12Å; K177-G179 VanDerWaalsContact C-N 3.32Å; K177-G179 PolarHBondContact O-N 3.13Å
178	T	44.1	Very low	45.1	Very low	67 Å²	67	104.1 Å²	104.1	41%	0.411	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.8	-7.9	-179.2	-28.2	0	0	0	0	113.8	M129 A174 K176	M129-T178 HydrophobicContact SD-CG2 4.35Å; A174-T178 PolarHBondContact O-OG1 3.03Å; K176-T178 VanDerWaalsContact C-N 3.35Å
179	G	33.9	Very low	43.3	Very low	70 Å²	70	108 Å²	108	72%	0.722	62%	0.616	S	S	*	*			trans	-102	81.9	-176.5	0	0	0	0	0	113.3	K177	K177-G179 VanDerWaalsContact C-N 3.32Å; K177-G179 PolarHBondContact O-N 3.13Å
180	G	25.3	Very low	41.1	Very low	78 Å²	78	112.3 Å²	112.3	80%	0.804	63%	0.633	S	S	*	*			trans	-152.3	74.2	-173.5	0	0	0	0	0	116.3
181	S	24.9	Very low	39	Very low	117 Å²	117	115.7 Å²	115.7	82%	0.818	64%	0.644	S	S	*	*			trans	-154.1	134.8	156.2	-169.8	0	0	0	0	109.6
182	P	32.1	Very low	37.5	Very low	105 Å²	105	120.5 Å²	120.5	68%	0.682	68%	0.675	S	S	*	*			trans	-96.5	143.7	-169.5	35.8	-34	0	0	0	114.1
183	N	23.8	Very low	35.5	Very low	154 Å²	154	121.5 Å²	121.5	82%	0.824	69%	0.686	S	S	*	*				176.1	169.3	120	-90.6	-26	0	0	0	113.6
184	S	25.4	Very low	33.6	Very low	101 Å²	101	122.1 Å²	122.1	71%	0.706	69%	0.693	S	S	*	*			trans	55.8	99.5	173.5	58.8	0	0	0	0	118.6
185	L	25.9	Very low	32.1	Very low	158 Å²	158	128.3 Å²	128.3	83%	0.827	72%	0.722	S	S	*	*				33.7	133	106.2	-57.9	164.7	0	0	0	116.6
186	T	24.1	Very low	30.7	Very low	114 Å²	114	130.5 Å²	130.5	70%	0.699	74%	0.737	S	S	*	*			cis	-164.2	169.6	22.9	-15.8	0	0	0	0	112.5
187	K	24.8	Very low	29.2	Very low	192 Å²	192	127.2 Å²	127.2	84%	0.835	74%	0.735	S	S	*	*			trans	68.8	101	156.1	-69.4	175.2	-178.3	179.7	0	118.6
188	S	24.3	Very low	27.9	Very low	103 Å²	103	123.7 Å²	123.7	72%	0.72	73%	0.732	S	S	*	*			trans	-61.7	164.2	138.1	57.4	0	0	0	0	110.6
189	P	36.8	Very low	27.7	Very low	108 Å²	108	124.6 Å²	124.6	70%	0.701	74%	0.739	S	S	*	*				-143	-171.8	78.2	23.6	1.2	0	0	0	112.9
190	L	23.6	Very low	27.3	Very low	150 Å²	150	130 Å²	130	79%	0.785	74%	0.743	S	S	*	*			cis	-136	130.2	-9.9	-102.5	125	0	0	0	104.6
191	Y	27	Very low	27.4	Very low	200 Å²	200	134.3 Å²	134.3	78%	0.784	74%	0.739	S	S	*	*				72.9	152.3	92	-75.7	-67.8	0	0	0	115.7
192	P	39.6	Very low	27.4	Very low	104 Å²	104	135.7 Å²	135.7	68%	0.675	73%	0.733	S	S	*	*			trans	-134.6	-107	-131.1	37.7	-13.7	0	0	0	113.2
193	L	26.9	Very low	27.1	Very low	145 Å²	145	136.5 Å²	136.5	76%	0.759	74%	0.736	S	S	*	*			trans	71.2	148.5	-173.7	-60.9	119.1	0	0	0	115.2
194	D	24	Very low	27.1	Very low	134 Å²	134	138.5 Å²	138.5	72%	0.717	74%	0.74	S	S	*	*			cis	-176	-177.8	-38.1	-110.3	-38.3	0	0	0	107.6
195	I	28.9	Very low	27	Very low	143 Å²	143	144.9 Å²	144.9	73%	0.733	75%	0.749	S	S	*	*			trans	134.6	105.4	137.2	-69.3	178.6	0	0	0	114.3
196	I	25.9	Very low	26.9	Very low	151 Å²	151	144.1 Å²	144.1	77%	0.774	75%	0.751	S	S	*	*			trans	47.7	105.5	134.8	-51.8	178.8	0	0	0	116.7
197	C	21.5	Very low	27	Very low	103 Å²	103	144.5 Å²	144.5	70%	0.696	75%	0.753	S	S	*	*			cis	95	89	49.9	-173.7	0	0	0	0	115.5
198	S	23.1	Very low	26.9	Very low	100 Å²	100	146.8 Å²	146.8	70%	0.699	76%	0.756	S	S	*	*			trans	59.5	-167.9	135.4	86.8	0	0	0	0	118.9
199	P	40.8	Very low	26.9	Very low	87 Å²	87	145.9 Å²	145.9	57%	0.565	75%	0.75	S	S	*	*			cis	-134.8	-175.3	-22.6	38.4	-22.2	0	0	0	114.2
200	K	24.9	Very low	26.3	Very low	183 Å²	183	146.9 Å²	146.9	80%	0.796	75%	0.754	S	S	*	*			trans	69.6	154.4	162.4	-61.8	158.9	-169	171	0	114.9
201	K	27.5	Very low	26.4	Very low	168 Å²	168	146 Å²	146	73%	0.73	76%	0.755	S	S	*	*			cis	-149.7	-179.7	-11.6	-118	157.7	150.9	-117.8	0	105.6
202	E	24.4	Very low	26.5	Very low	147 Å²	147	145.2 Å²	145.2	69%	0.687	76%	0.755	S	S	*	*			cis	-156.4	-170.3	32.9	-154.5	104.2	-111	0	0	110.4
203	T	25.5	Very low	25.8	Very low	121 Å²	121	150 Å²	150	74%	0.742	77%	0.765	S	S	*	*			trans	-103.1	152	-175.9	48.2	0	0	0	0	113.8
204	E	24.9	Very low	25.7	Very low	196 Å²	196	151.2 Å²	151.2	92%	0.916	77%	0.765	S	S	*	*				-164.5	173.1	126.1	-116.1	171.8	-158.6	0	0	114.1
205	R	23	Very low	25.8	Very low	236 Å²	236	150.4 Å²	150.4	89%	0.891	76%	0.76	S	S	*	*			trans	-122.4	138.7	-179.3	-35	173.8	-167.5	166.5	2.7	110.9
206	V	23.6	Very low	25.8	Very low	142 Å²	142	148 Å²	148	86%	0.861	75%	0.752	S	S	*	*			trans	-141.7	147.3	152	-175.4	0	0	0	0	109
207	V	25	Very low	25.8	Very low	122 Å²	122	147.6 Å²	147.6	74%	0.739	75%	0.747	S	S	*	*			trans	-133.3	163.5	174.6	171.8	0	0	0	0	107.8
208	W	24.3	Very low	26.1	Very low	240 Å²	240	149.7 Å²	149.7	91%	0.909	75%	0.748	S	S	*	*			trans	82.3	149.1	177.9	-78.9	-3.6	0	0	0	117.2
209	S	24.7	Very low	26.2	Very low	84 Å²	84	152.3 Å²	152.3	59%	0.587	75%	0.749	S	S	*	*			cis	-172.9	166.7	-19	53.4	0	0	0	0	112.5
210	V	24.3	Very low	25.7	Very low	129 Å²	129	154.9 Å²	154.9	78%	0.782	76%	0.757	S	S	*	*			trans	61.4	158	163.7	-119.2	0	0	0	0	115.4
211	T	25.2	Very low	25.7	Very low	132 Å²	132	155.6 Å²	155.6	81%	0.81	76%	0.763	S	S	*	*			cis	-145.5	162	12.5	-45.9	0	0	0	0	113.3
212	K	27.8	Very low	25.6	Very low	182 Å²	182	151.2 Å²	151.2	79%	0.791	75%	0.754	S	S	*	*			trans	-88.7	157.3	178.7	-58.1	173.3	178.8	176.7	0	114.3
213	K	25	Very low	26	Very low	204 Å²	204	152.7 Å²	152.7	89%	0.887	76%	0.758	S	S	*	*				-128.3	127.7	128.8	-69.9	-174.5	176.8	-179.8	0	105.6
214	K	26.3	Very low	26.3	Very low	172 Å²	172	154.7 Å²	154.7	75%	0.748	76%	0.758	S	S	*	*			cis	57	133.3	49.8	-78.3	-140	161.4	-169.5	0	112.1
215	N	25.5	Very low	26.6	Very low	117 Å²	117	150.4 Å²	150.4	63%	0.626	75%	0.75	S	S	*	*			cis	-163.4	160.8	-0.9	-119.4	45.3	0	0	0	106.5
216	V	29.2	Very low	26.8	Very low	91 Å²	91	143.9 Å²	143.9	55%	0.552	75%	0.746	S	S	*	*			cis	-169.5	-171	-7.1	73.1	0	0	0	0	111
217	E	25.1	Very low	27.1	Very low	144 Å²	144	142.6 Å²	142.6	67%	0.673	74%	0.744	S	S	*	*			trans	9	156.5	148.3	-69.5	140.3	-158.2	0	0	121.8
218	M	28.3	Very low	27.6	Very low	147 Å²	147	146.2 Å²	146.2	72%	0.724	75%	0.75	S	S	*	*			cis	-160.1	-172.1	3.5	-120.5	178.5	-47.1	0	0	109
219	E	25.9	Very low	27.8	Very low	155 Å²	155	140.3 Å²	140.3	72%	0.724	75%	0.745	S	S	*	*			cis	-140.2	-115.8	5.9	-152.2	166.4	140.5	0	0	114.9
220	I	29.9	Very low	28.4	Very low	141 Å²	141	139 Å²	139	72%	0.723	74%	0.735	S	S	*	*			trans	-148.9	141.8	-157.5	-70.2	162.4	0	0	0	109.7
221	E	25.3	Very low	29.2	Very low	197 Å²	197	138.8 Å²	138.8	92%	0.921	73%	0.73	S	S	*	*			trans	-162.6	171.6	132.3	-121.5	-173.7	-178.4	0	0	114.1
222	S	25.6	Very low	29.9	Very low	76 Å²	76	135 Å²	135	53%	0.531	71%	0.709	S	S	.	*			trans	-152.1	123.1	-155.7	149.5	0	0	0	0	115.5
223	K	32.1	Very low	30.7	Very low	178 Å²	178	132 Å²	132	77%	0.774	70%	0.695	S	S	*	*			trans	67.8	143.1	155.7	-56.2	165.2	-169.9	167.5	0	114.9
224	H	30.9	Very low	31.5	Very low	163 Å²	163	127.8 Å²	127.8	76%	0.755	68%	0.679	S	S	*	*				-159.5	129.1	58	-99.3	-88.5	0	0	0	115.4
225	S	31.1	Very low	32.5	Very low	107 Å²	107	121.9 Å²	121.9	75%	0.748	65%	0.652	S	S	*	*			trans	33.5	118.2	141.3	58	0	0	0	0	122.9
226	A	28.2	Very low	33.2	Very low	98 Å²	98	119.2 Å²	119.2	81%	0.81	64%	0.636	S	S	*	*			trans	-157.7	120.1	136.2	0	0	0	0	0	114.9
227	S	29.7	Very low	33.9	Very low	115 Å²	115	118 Å²	118	80%	0.804	63%	0.631	S	S	*	*			trans	50.6	84.6	140.6	-58.4	0	0	0	0	123.4
228	K	35.3	Very low	34.8	Very low	199 Å²	199	115.4 Å²	115.4	87%	0.865	62%	0.619	S	S	*	*				49.8	93	126.6	-63.5	-179.9	177.3	178.5	0	119.8
229	S	27.7	Very low	35.5	Very low	115 Å²	115	110.2 Å²	110.2	80%	0.804	59%	0.591	S	S	*	*				-142.3	161.4	126.2	81.7	0	0	0	0	110.3	L231	S229-L231 PolarHBondContact O-N 2.91Å
230	S	37.3	Very low	36.2	Very low	56 Å²	56	106.8 Å²	106.8	39%	0.392	58%	0.581	S	S	.	*			trans	-73.2	116	-161.6	56.1	0	0	0	0	115	S232 K233	S230-S232 PolarHBondContact O-N 2.97Å; S230-K233 PolarHBondContact O-N 3.22Å; S230-K233 VanDerWaalsContact OG-CE 3.3Å; S230-K233 WeakPolarHBondContact OG-CE 3.33Å
231	L	41.3	Very low	36.7	Very low	126 Å²	126	103.8 Å²	103.8	66%	0.66	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-14.2	177.4	-73.2	165.7	0	0	0	115.4	S229 K233	S229-L231 PolarHBondContact O-N 2.91Å; L231-K233 PolarHBondContact O-N 3.46Å
232	S	40.4	Very low	37.4	Very low	53 Å²	53	101.6 Å²	101.6	37%	0.371	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.5	-19.6	176	50.1	0	0	0	0	114.3	S230	S230-S232 PolarHBondContact O-N 2.97Å
233	K	44.1	Very low	37.8	Very low	117 Å²	117	99.3 Å²	99.3	51%	0.509	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.3	-36.6	-177.6	-70.6	-177.9	179.6	178.5	0	113.2	E56 S230 L231 R235 H236	E56-K233 HydrophobicContact CG-CB 4.43Å; E56-K233 HydrophobicContact CG-CG 4.39Å; E56-K233 VanDerWaalsContact OE1-CB 3.26Å; E56-K233 WeakPolarHBondContact OE1-CB 3.39Å; E56-K233 WeakPolarHBondContact OE1-CG 3.29Å; S230-K233 PolarHBondContact O-N 3.22Å; S230-K233 VanDerWaalsContact OG-CE 3.3Å; S230-K233 WeakPolarHBondContact OG-CE 3.33Å; L231-K233 PolarHBondContact O-N 3.46Å; K233-R235 PolarHBondContact O-N 3.07Å; K233-H236 PolarHBondContact O-N 3.22Å
234	E	42.6	Very low	37.7	Very low	117 Å²	117	97.5 Å²	97.5	55%	0.547	56%	0.556	S	S	.	*	H	α-helix	trans	-70.1	-3.8	-172.1	-158.3	154.2	-154.4	0	0	114.1	S237 Q238	E234-S237 PolarHBondContact O-OG 2.88Å; E234-Q238 WeakPolarHBondContact O-CG 3.25Å; E234-Q238 PolarHBondContact O-N 3.04Å
235	R	47.7	Very low	37.8	Very low	48 Å²	48	99.2 Å²	99.2	18%	0.181	56%	0.562	C	S	.	*	H	α-helix	trans	-89.1	-26.1	-177.7	-58.2	-174.4	-171.1	167.2	9.9	113.6	D116 D118 I119 K233 R239	D116-R235 IonicContact OD2-CZ 3.21Å; D116-R235 IonicContact OD2-NE 2.93Å; D116-R235 PolarHBondContact OD2-NE 3.43Å; D116-R235 IonicContact OD2-NH2 2.66Å; D116-R235 PolarHBondContact OD2-NH2 2.96Å; D118-R235 VanDerWaalsContact O-CZ 3.27Å; D118-R235 PolarHBondContact O-NH1 3.11Å; D118-R235 PolarHBondContact O-NH2 3.38Å; I119-R235 VanDerWaalsContact CG2-NH1 3.27Å; K233-R235 PolarHBondContact O-N 3.07Å; R235-R239 PolarHBondContact O-N 3.43Å; R235-R239 VanDerWaalsContact O-N 3.17Å
236	H	38.8	Very low	37.5	Very low	61 Å²	61	100.3 Å²	100.3	28%	0.282	56%	0.564	S	S	.	*	H	α-helix	trans	-70.7	-44	173.8	-171.7	43	0	0	0	110.6	E56 N57 K233 Q238 R239 V240	E56-H236 HydrophobicContact CG-CB 4.16Å; E56-H236 WeakPolarHBondContact OE2-CB 3.21Å; E56-H236 IonicContact OE2-CD2 3.57Å; N57-H236 PolarHBondContact ND2-NE2 3.03Å; K233-H236 PolarHBondContact O-N 3.22Å; H236-Q238 PolarHBondContact O-N 2.8Å; H236-R239 PolarHBondContact O-N 2.91Å; H236-V240 WeakPolarHBondContact O-CG2 3.44Å; H236-V240 PolarHBondContact O-N 3.24Å; H236-V240 VanDerWaalsContact O-N 3.1Å
237	S	44.4	Very low	37.6	Very low	65 Å²	65	101.7 Å²	101.7	46%	0.455	57%	0.565	S	S	.	*	H	α-helix	trans	-59.2	-43.1	173.8	50.8	0	0	0	0	112.3	E234 V240 A241	E234-S237 PolarHBondContact O-OG 2.88Å; S237-V240 PolarHBondContact O-N 3.19Å; S237-A241 WeakPolarHBondContact O-CB 3.37Å; S237-A241 PolarHBondContact O-N 3.43Å
238	Q	44.2	Very low	37.4	Very low	90 Å²	90	103 Å²	103	42%	0.421	57%	0.568	S	S	.	*	H	α-helix	trans	-66.3	-40.4	177.4	-74	-179	8.6	0	0	114.1	E234 H236 V240	E234-Q238 WeakPolarHBondContact O-CG 3.25Å; E234-Q238 PolarHBondContact O-N 3.04Å; H236-Q238 PolarHBondContact O-N 2.8Å; Q238-V240 VanDerWaalsContact C-N 3.31Å; Q238-V240 PolarHBondContact O-N 2.89Å
239	R	43	Very low	37	Very low	37 Å²	37	97.9 Å²	97.9	14%	0.14	56%	0.563	C	S	.	*	H	α-helix	trans	-64.9	-33.9	174.7	-78.6	-171.4	177.2	164.1	7.3	112.3	E89 D110 Y115 R235 H236	E89-R239 IonicContact OE2-CZ 3.4Å; E89-R239 IonicContact OE2-NH1 3.98Å; E89-R239 PolarHBondContact OE2-NH1 2.6Å; D110-R239 IonicContact OD2-NH2 2.86Å; Y115-R239 HydrophobicContact CE1-CG 3.64Å; R235-R239 PolarHBondContact O-N 3.43Å; R235-R239 VanDerWaalsContact O-N 3.17Å; H236-R239 PolarHBondContact O-N 2.91Å
240	V	41.5	Very low	37.1	Very low	83 Å²	83	104.6 Å²	104.6	50%	0.503	57%	0.571	S	S	.	*	H	α-helix	trans	-82.6	-34.2	179.4	176.3	0	0	0	0	112.8	H236 S237 Q238 N242 G243	H236-V240 WeakPolarHBondContact O-CG2 3.44Å; H236-V240 PolarHBondContact O-N 3.24Å; H236-V240 VanDerWaalsContact O-N 3.1Å; S237-V240 PolarHBondContact O-N 3.19Å; Q238-V240 VanDerWaalsContact C-N 3.31Å; Q238-V240 PolarHBondContact O-N 2.89Å; V240-N242 VanDerWaalsContact C-N 3.27Å; V240-N242 PolarHBondContact O-N 3.06Å; V240-G243 VanDerWaalsContact O-CA 3.31Å; V240-G243 WeakPolarHBondContact O-CA 3.24Å; V240-G243 PolarHBondContact O-N 2.92Å
241	A	40.2	Very low	36.7	Very low	79 Å²	79	108.1 Å²	108.1	65%	0.653	58%	0.579	S	S	*	*	H	α-helix	trans	-59.2	-33.1	-175.6	0	0	0	0	0	113.9	S237 G243	S237-A241 WeakPolarHBondContact O-CB 3.37Å; S237-A241 PolarHBondContact O-N 3.43Å; A241-G243 PolarHBondContact O-N 2.9Å
242	N	40.4	Very low	36.1	Very low	150 Å²	150	110.9 Å²	110.9	80%	0.802	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	16.1	174.9	-74.6	-46.9	0	0	0	113.6	V240	V240-N242 VanDerWaalsContact C-N 3.27Å; V240-N242 PolarHBondContact O-N 3.06Å
243	G	33.4	Very low	35.6	Very low	29 Å²	29	113.9 Å²	113.9	30%	0.299	60%	0.597	S	S	.	*	S	Bend	trans	-132.6	37.4	-163.5	0	0	0	0	0	116.5	V240 A241	V240-G243 VanDerWaalsContact O-CA 3.31Å; V240-G243 WeakPolarHBondContact O-CA 3.24Å; V240-G243 PolarHBondContact O-N 2.92Å; A241-G243 PolarHBondContact O-N 2.9Å
244	M	30.4	Very low	34.7	Very low	139 Å²	139	113.6 Å²	113.6	69%	0.685	60%	0.597	S	S	*	*			trans	78.5	146.9	176.9	-61.5	178.8	59.3	0	0	117.9	N93	N93-M244 PolarHBondContact ND2-SD 3.16Å
245	K	31.7	Very low	34	Very low	200 Å²	200	115.6 Å²	115.6	87%	0.87	61%	0.611	S	S	*	*	S	Bend	trans	-77.4	116.1	167.9	-56	170.3	-177.2	178.4	0	109.9
246	T	25	Very low	33	Very low	129 Å²	129	121.1 Å²	121.1	79%	0.791	64%	0.644	S	S	*	*			trans	-177.4	132.6	140.9	24.3	0	0	0	0	109.6
247	P	29.8	Very low	32.3	Very low	127 Å²	127	123.2 Å²	123.2	83%	0.825	67%	0.666	S	S	*	*			trans	-92.5	136.5	175.8	34.4	-31.3	0	0	0	112.2
248	T	25.7	Very low	31.8	Very low	143 Å²	143	125.7 Å²	125.7	88%	0.877	68%	0.68	S	S	*	*			trans	-134.2	121.8	161.1	-40.8	0	0	0	0	108.6
249	A	28.5	Very low	31	Very low	91 Å²	91	127.7 Å²	127.7	75%	0.752	70%	0.699	S	S	*	*			trans	-87.1	149.8	-165.6	0	0	0	0	0	114.1
250	R	28.1	Very low	30.2	Very low	257 Å²	257	135.5 Å²	135.5	97%	0.97	73%	0.734	S	S	*	*			trans	-145.9	115.5	144.9	-109.4	167.1	-168.3	-165.5	1.6	110.8
251	K	30.6	Very low	29.6	Very low	129 Å²	129	136.6 Å²	136.6	56%	0.561	75%	0.745	S	S	*	*			trans	-66	157.1	179.7	-70.8	170.5	173.4	166.2	0	112	L253	K251-L253 HydrophobicContact CD-CD1 4.23Å
252	K	27.4	Very low	29.5	Very low	184 Å²	184	138.2 Å²	138.2	80%	0.8	75%	0.749	S	S	*	*				-137.4	133	128.8	-120.2	170.6	-175	170.5	0	110.9
253	L	29.7	Very low	28.8	Very low	117 Å²	117	141 Å²	141	61%	0.613	75%	0.754	S	S	*	*			trans	-89.1	143.6	172.7	-68.6	103.6	0	0	0	110.2	K251	K251-L253 HydrophobicContact CD-CD1 4.23Å
254	E	26.1	Very low	28.4	Very low	110 Å²	110	143.4 Å²	143.4	51%	0.514	78%	0.778	S	S	.	*			trans	-121.9	135.1	150.9	-72.4	-82.1	120.7	0	0	107.8	M1 N2 T3	M1-E254 PolarHBondContact N-OE1 3.07Å; N2-E254 PolarHBondContact N-OE1 3.34Å; T3-E254 VanDerWaalsContact CG2-OE2 3.23Å; T3-E254 WeakPolarHBondContact CG2-OE2 3.4Å
255	L	27.9	Very low	28.3	Very low	159 Å²	159	146.5 Å²	146.5	83%	0.832	79%	0.788	S	S	*	*			trans	-93.3	143	173.5	-74.3	156.3	0	0	0	108
256	N	26.1	Very low	28	Very low	164 Å²	164	144.9 Å²	144.9	88%	0.877	79%	0.788	S	S	*	*			trans	-126.6	128.4	164.6	-87.5	-47.5	0	0	0	110.7
257	S	24.3	Very low	28.9	Very low	106 Å²	106	144.7 Å²	144.7	74%	0.741	79%	0.789	S	S	*	*			trans	-84.8	155.6	163.3	46.3	0	0	0	0	110.2	T259	S257-T259 PolarHBondContact O-N 3.12Å
258	P	33.1	Very low	28.7	Very low	117 Å²	117	141.6 Å²	141.6	76%	0.76	78%	0.78	S	S	*	*			trans	-74.1	112.9	175.4	29	-32.8	0	0	0	111.8
259	T	28.7	Very low	28.8	Very low	132 Å²	132	140 Å²	140	81%	0.81	78%	0.775	S	S	*	*			trans	50.4	130.4	136.6	51.3	0	0	0	0	121.7	S257	S257-T259 PolarHBondContact O-N 3.12Å
260	K	26.4	Very low	28.9	Very low	200 Å²	200	142.9 Å²	142.9	87%	0.87	78%	0.777	S	S	*	*			trans	-60.7	154.2	160.4	-60	173.5	177.9	177.3	0	112.1
261	S	27.5	Very low	29	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	76%	0.763	S	S	*	*			trans	-60.8	166.8	157.4	62.6	0	0	0	0	112.5
262	P	38.1	Very low	29.2	Very low	113 Å²	113	136.4 Å²	136.4	73%	0.734	77%	0.771	S	S	*	*				-145.8	141.4	102.6	36.5	-21.7	0	0	0	117.3
263	K	26.1	Very low	29.4	Very low	210 Å²	210	135 Å²	135	91%	0.913	77%	0.767	S	S	*	*			trans	47.4	117.9	142	-61.4	-176.6	175.1	-175.6	0	120.6
264	G	25.9	Very low	29.4	Very low	78 Å²	78	135.3 Å²	135.3	80%	0.804	77%	0.769	S	S	*	*			trans	-166.5	75	165.3	0	0	0	0	0	116.6
265	K	27.4	Very low	29.6	Very low	205 Å²	205	137.5 Å²	137.5	89%	0.891	78%	0.784	S	S	*	*			trans	45.1	120.4	157.6	-60.6	-178.1	179.6	-179.2	0	121.7
266	L	25.8	Very low	29.7	Very low	165 Å²	165	133.1 Å²	133.1	86%	0.864	78%	0.777	S	S	*	*			trans	-3.3	161.9	135.2	-67.4	169.2	0	0	0	120.5
267	P	44.5	Very low	29.9	Very low	126 Å²	126	132.4 Å²	132.4	82%	0.818	77%	0.773	S	S	*	*			cis	-136.4	-173.7	-4.7	36.4	-15.6	0	0	0	115.9
268	G	25.5	Very low	30.3	Very low	61 Å²	61	134.6 Å²	134.6	63%	0.629	78%	0.776	S	S	*	*			trans	131.7	117.4	169.3	0	0	0	0	0	112
269	S	28.4	Very low	30.2	Very low	111 Å²	111	135.2 Å²	135.2	78%	0.776	78%	0.782	S	S	*	*				61.2	126	77.9	69	0	0	0	0	113.1
270	D	29.1	Very low	30.3	Very low	150 Å²	150	136 Å²	136	80%	0.802	78%	0.781	S	S	*	*			cis	-165.5	-179	10.9	-133.7	-40	0	0	0	112.2
271	V	31.3	Very low	30.4	Very low	111 Å²	111	130.7 Å²	130.7	67%	0.673	78%	0.775	S	S	*	*			trans	69.1	109.6	161.6	168.2	0	0	0	0	115.9
272	L	33.1	Very low	30.5	Very low	139 Å²	139	134 Å²	134	73%	0.728	78%	0.782	S	S	*	*				58.1	138.7	86.1	-60.1	166.3	0	0	0	111.9
273	E	31.7	Very low	30	Very low	154 Å²	154	132.7 Å²	132.7	72%	0.72	78%	0.781	S	S	*	*			cis	170.9	167.5	20.2	-116.7	180	155.2	0	0	104.2
274	L	31.5	Very low	30.1	Very low	124 Å²	124	131.5 Å²	131.5	65%	0.649	78%	0.78	S	S	*	*			cis	-141.1	141.8	-2.4	-91.5	159.3	0	0	0	105.6
275	L	29.7	Very low	30.1	Very low	157 Å²	157	133.6 Å²	133.6	82%	0.822	78%	0.783	S	S	*	*				54.2	145.4	90.9	-61.9	-172.6	0	0	0	117.5
276	G	29.5	Very low	30.3	Very low	67 Å²	67	132.7 Å²	132.7	69%	0.691	78%	0.782	S	S	*	*			trans	110.1	114.2	173.5	0	0	0	0	0	115.7
277	D	30.8	Very low	30.9	Very low	148 Å²	148	130.1 Å²	130.1	79%	0.791	78%	0.775	S	S	*	*			cis	-166.8	169.1	-38.1	-98.9	-0.6	0	0	0	107.8
278	D	31.8	Very low	30.1	Very low	153 Å²	153	130 Å²	130	82%	0.818	78%	0.778	S	S	*	*			trans	-77.5	160.5	-175.3	-60.1	-67.2	0	0	0	114.6
279	C	32.4	Very low	30.3	Very low	129 Å²	129	131.6 Å²	131.6	87%	0.872	78%	0.784	S	S	*	*				172.6	141.3	116.4	-94.7	0	0	0	0	116.5
280	D	29.1	Very low	30.4	Very low	150 Å²	150	133.4 Å²	133.4	80%	0.802	79%	0.791	S	S	*	*			trans	-41.1	137.9	173	-72.7	-56.9	0	0	0	122.8
281	A	29.8	Very low	30.5	Very low	88 Å²	88	135.4 Å²	135.4	73%	0.727	79%	0.792	S	S	*	*				75.7	173.9	117.4	0	0	0	0	0	124.4
282	I	29.7	Very low	30.4	Very low	176 Å²	176	142.4 Å²	142.4	90%	0.903	81%	0.807	S	S	*	*			trans	83.5	156.8	174.1	-53.8	-177.9	0	0	0	115.2
283	A	27.6	Very low	30.2	Very low	85 Å²	85	144.5 Å²	144.5	70%	0.702	81%	0.81	S	S	*	*			trans	-135.4	167.4	-143.4	0	0	0	0	0	116.6
284	M	28.1	Very low	30	Very low	184 Å²	184	144 Å²	144	91%	0.906	82%	0.817	S	S	*	*			trans	55.9	115.8	161.2	-73.9	-174.7	63.6	0	0	120.1
285	S	25.3	Very low	29.9	Very low	123 Å²	123	145.9 Å²	145.9	86%	0.86	82%	0.82	S	S	*	*			trans	-166.1	134.6	133.1	28.2	0	0	0	0	113.2
286	E	30.7	Very low	29.7	Very low	186 Å²	186	147.7 Å²	147.7	87%	0.869	82%	0.822	S	S	*	*			trans	-95.2	166.4	143.7	-86.2	-163.1	175.5	0	0	107.2
287	P	40.1	Very low	29.9	Very low	110 Å²	110	149.9 Å²	149.9	71%	0.714	82%	0.822	S	S	*	*			cis	-143.8	-168	23.4	43.7	-24.5	0	0	0	116.3
288	S	26.5	Very low	29.9	Very low	125 Å²	125	146.4 Å²	146.4	87%	0.874	82%	0.821	S	S	*	*			trans	123.2	149.6	140.8	78.3	0	0	0	0	116
289	A	29.9	Very low	30	Very low	93 Å²	93	145.4 Å²	145.4	77%	0.769	82%	0.82	S	S	*	*			trans	-119.1	141.2	-171.4	0	0	0	0	0	112
290	T	31.5	Very low	30.1	Very low	150 Å²	150	147.6 Å²	147.6	92%	0.92	82%	0.822	S	S	*	*			trans	-122.1	147.3	165.5	30.9	0	0	0	0	112
291	K	29.6	Very low	30	Very low	191 Å²	191	143.7 Å²	143.7	83%	0.83	82%	0.817	S	S	*	*			trans	-104.6	143.6	-166.8	-60.8	154.6	-176.6	162.7	0	110.1
292	R	29.8	Very low	29.9	Very low	259 Å²	259	145.1 Å²	145.1	98%	0.977	82%	0.822	S	S	*	*			trans	-126.1	125.4	148.8	-77.4	-170	171.5	173.3	-1.2	110
293	K	28.8	Very low	31.4	Very low	183 Å²	183	142.3 Å²	142.3	80%	0.796	82%	0.815	S	S	*	*			trans	-96.6	147.7	173.4	-67.2	172.6	177.1	169.8	0	109.1
294	V	28.5	Very low	32.3	Very low	144 Å²	144	144 Å²	144	87%	0.873	82%	0.819	S	S	*	*			trans	-133.1	150.6	140.7	-177.7	0	0	0	0	107.1
295	K	28.4	Very low	32.3	Very low	162 Å²	162	144 Å²	144	70%	0.704	81%	0.814	S	S	*	*			trans	-128.2	140.8	-175.7	-95.9	-167.7	171.5	-168.4	0	111.9
296	F	26.8	Very low	32.4	Very low	196 Å²	196	145.5 Å²	145.5	86%	0.86	81%	0.809	S	S	*	*			trans	-151.5	146.6	143.7	-81.7	-80.2	0	0	0	105.3
297	T	31.8	Very low	32.2	Very low	113 Å²	113	141.7 Å²	141.7	69%	0.693	80%	0.803	S	S	*	*			cis	66.4	117.1	7.8	69.8	0	0	0	0	116.6
298	G	31.6	Very low	31.4	Very low	74 Å²	74	142.3 Å²	142.3	76%	0.763	81%	0.809	S	S	*	*			cis	170.7	-169.3	0.6	0	0	0	0	0	109.7
299	V	34.2	Very low	31.4	Very low	133 Å²	133	141.5 Å²	141.5	81%	0.806	81%	0.809	S	S	*	*			cis	-150.6	-172.2	-1.3	-164	0	0	0	0	107
300	L	33.7	Very low	31.3	Very low	174 Å²	174	142.1 Å²	142.1	91%	0.911	81%	0.808	S	S	*	*			trans	78.8	131.3	173.3	-59.1	114.2	0	0	0	116.1
301	G	28.2	Very low	31	Very low	68 Å²	68	144.4 Å²	144.4	70%	0.701	81%	0.809	S	S	*	*			cis	-165.6	169	-4.2	0	0	0	0	0	111.6
302	S	27.7	Very low	31	Very low	119 Å²	119	143.8 Å²	143.8	83%	0.832	81%	0.808	S	S	*	*			trans	-156.6	-174.4	-175.2	-50.2	0	0	0	0	112.2
303	P	61.2	Low	31.4	Very low	117 Å²	117	135.8 Å²	135.8	76%	0.76	79%	0.79	S	S	*	*				-110.3	-171.5	-102.2	39.1	-21.6	0	0	0	112.9
304	P	45.9	Very low	31.2	Very low	120 Å²	120	135.7 Å²	135.7	78%	0.779	79%	0.79	S	S	*	*				-157.6	-169.5	103.8	45.5	-27	0	0	0	113
305	K	28.2	Very low	31	Very low	183 Å²	183	135.8 Å²	135.8	80%	0.796	79%	0.791	S	S	*	*			cis	-164.3	150.9	-28.3	-119.5	-170.6	165.1	-175.3	0	111.1
306	M	27.7	Very low	30.8	Very low	156 Å²	156	133.7 Å²	133.7	77%	0.768	79%	0.792	S	S	*	*			trans	63.3	167.6	152.5	-56.5	-54.7	-74.4	0	0	118
307	S	25.9	Very low	30.8	Very low	106 Å²	106	133 Å²	133	74%	0.741	79%	0.789	S	S	*	*			cis	-143.4	158.1	9.5	54.3	0	0	0	0	114.5
308	C	24.2	Very low	30.4	Very low	123 Å²	123	133.7 Å²	133.7	83%	0.831	79%	0.788	S	S	*	*			trans	-88.9	161.3	165.3	-52.9	0	0	0	0	111.9
309	A	25.9	Very low	30.1	Very low	107 Å²	107	134.7 Å²	134.7	88%	0.884	78%	0.784	S	S	*	*			trans	-144.3	157.6	153.9	0	0	0	0	0	108.6
310	S	28.3	Very low	29.7	Very low	107 Å²	107	133.9 Å²	133.9	75%	0.748	78%	0.779	S	S	*	*			trans	-140.4	143.4	-172.2	53.6	0	0	0	0	110.6
311	E	24.6	Very low	29.3	Very low	198 Å²	198	133.9 Å²	133.9	93%	0.925	77%	0.774	S	S	*	*			trans	-170.5	141.1	139.2	-109.5	161.2	-144.9	0	0	113.1
312	E	29.8	Very low	29.2	Very low	177 Å²	177	137.9 Å²	137.9	83%	0.827	78%	0.775	S	S	*	*			trans	-118.7	157.1	157.9	-119.1	-164.2	-129.3	0	0	104.6
313	P	38.2	Very low	29	Very low	92 Å²	92	138.7 Å²	138.7	60%	0.597	77%	0.765	S	S	*	*				-158.8	-179.1	52	43.7	-22.4	0	0	0	118.5
314	K	24.5	Very low	27.3	Very low	180 Å²	180	139 Å²	139	78%	0.783	76%	0.756	S	S	*	*			trans	55.4	125.2	147.5	-71.2	158.4	-174.7	173.3	0	120.9
315	T	24.7	Very low	26.4	Very low	147 Å²	147	142.9 Å²	142.9	90%	0.902	76%	0.755	S	S	*	*				-164.7	175.2	108.7	12.2	0	0	0	0	111.8
316	T	24.7	Very low	26.3	Very low	117 Å²	117	141.3 Å²	141.3	72%	0.718	76%	0.755	S	S	*	*			trans	-124.9	166.9	-165.3	45.6	0	0	0	0	114.3
317	F	25.3	Very low	26.3	Very low	181 Å²	181	139.4 Å²	139.4	79%	0.794	75%	0.748	S	S	*	*			trans	97.1	134.3	156.5	-71.6	-66.9	0	0	0	121.9
318	N	24.1	Very low	26.5	Very low	129 Å²	129	140.4 Å²	140.4	69%	0.69	75%	0.745	S	S	*	*			trans	74	95.7	138	-67.7	-3.7	0	0	0	122.9
319	S	24.8	Very low	26.6	Very low	95 Å²	95	140.1 Å²	140.1	66%	0.664	74%	0.74	S	S	*	*				65.5	159.6	108.4	72.2	0	0	0	0	123.3
320	T	25.3	Very low	26.9	Very low	115 Å²	115	141.6 Å²	141.6	71%	0.706	73%	0.731	S	S	*	*			trans	69.8	100.8	159.4	41.3	0	0	0	0	120.1
321	E	27.2	Very low	27	Very low	175 Å²	175	147.2 Å²	147.2	82%	0.818	74%	0.736	S	S	*	*				62.4	142.3	117.5	-69.7	-178.4	177.4	0	0	124.2
322	H	25.1	Very low	27	Very low	152 Å²	152	145.1 Å²	145.1	70%	0.704	73%	0.73	S	S	*	*			trans	67.9	110.2	150.2	-88.4	-103.1	0	0	0	122.9
323	E	24.5	Very low	26.9	Very low	136 Å²	136	141.2 Å²	141.2	64%	0.636	72%	0.723	S	S	*	*				76.9	128	125.8	-77.6	-168.5	108.9	0	0	125.6
324	Q	25.6	Very low	27.2	Very low	122 Å²	122	141.6 Å²	141.6	57%	0.57	73%	0.725	S	S	*	*			trans	67.4	123.4	134	-69.2	-162.7	49.6	0	0	123.3
325	R	26.1	Very low	27.3	Very low	202 Å²	202	143.5 Å²	143.5	76%	0.762	73%	0.729	S	S	*	*			trans	67.2	136.1	136.3	-68.8	175.7	168.3	160.2	-7.9	120.5
326	L	25.5	Very low	27.4	Very low	150 Å²	150	140.8 Å²	140.8	79%	0.785	72%	0.716	S	S	*	*				177	126.7	106	-86.8	169.4	0	0	0	107
327	N	28.3	Very low	27.4	Very low	117 Å²	117	144.7 Å²	144.7	63%	0.626	72%	0.723	S	S	*	*				73.6	153.1	81.8	-76	52.5	0	0	0	115.3
328	D	30.5	Very low	27.4	Very low	127 Å²	127	142.8 Å²	142.8	68%	0.679	73%	0.726	S	S	*	*			cis	-109	-126.7	-4.6	-144.7	-94.6	0	0	0	110.4
329	T	26.6	Very low	27.5	Very low	117 Å²	117	140.8 Å²	140.8	72%	0.718	72%	0.722	S	S	*	*			cis	-160.7	159.4	-5	-16.8	0	0	0	0	105.5
330	I	32.4	Very low	27.4	Very low	138 Å²	138	143.4 Å²	143.4	71%	0.708	73%	0.729	S	S	*	*			cis	-144.8	142.9	16.7	-83.5	179.9	0	0	0	108.7
331	R	28.6	Very low	27.4	Very low	225 Å²	225	142.6 Å²	142.6	85%	0.849	73%	0.728	S	S	*	*			trans	27.6	156.4	143.3	-61.1	-179.6	177	177.1	-1.7	122.1
332	L	26.2	Very low	27.3	Very low	153 Å²	153	139.4 Å²	139.4	80%	0.801	72%	0.724	S	S	*	*			cis	-155.8	-177.4	12.2	-127.6	159.6	0	0	0	111
333	S	26.9	Very low	27.4	Very low	96 Å²	96	138.6 Å²	138.6	67%	0.671	72%	0.721	S	S	*	*			trans	-138.5	-167.4	-172.9	59.1	0	0	0	0	110.5
334	P	45.1	Very low	27.4	Very low	100 Å²	100	139.6 Å²	139.6	65%	0.649	72%	0.723	S	S	*	*			cis	-151	-169.8	8.3	48	-27.6	0	0	0	119.1
335	Y	26.9	Very low	27.4	Very low	220 Å²	220	139 Å²	139	86%	0.863	72%	0.724	S	S	*	*			trans	59.7	147.9	164.5	-79	-101.3	0	0	0	119.9
336	S	26.6	Very low	27.6	Very low	89 Å²	89	136.8 Å²	136.8	62%	0.622	72%	0.72	S	S	*	*			cis	-173.1	152.7	-23.6	55.2	0	0	0	0	114.3
337	K	25	Very low	27.7	Very low	200 Å²	200	135.3 Å²	135.3	87%	0.87	71%	0.713	S	S	*	*			trans	27.3	135.8	150.5	-60.4	-176.5	178.5	-176.5	0	121.7
338	V	24.8	Very low	27.8	Very low	140 Å²	140	136.6 Å²	136.6	85%	0.848	72%	0.719	S	S	*	*				-176.7	170.5	103.7	151	0	0	0	0	109.2
339	S	25.6	Very low	27.6	Very low	88 Å²	88	138 Å²	138	62%	0.615	72%	0.721	S	S	*	*			trans	-102.3	-176.4	-168.3	44.2	0	0	0	0	115.2
340	D	23.4	Very low	27.6	Very low	150 Å²	150	139.7 Å²	139.7	80%	0.802	72%	0.723	S	S	*	*			trans	107.2	167.1	147.2	-63.3	-57.4	0	0	0	120.8
341	S	24.9	Very low	27.3	Very low	98 Å²	98	136.3 Å²	136.3	69%	0.685	72%	0.722	S	S	*	*			trans	-108	-179.1	-143.6	59.3	0	0	0	0	113.6
342	S	24.9	Very low	27.1	Very low	107 Å²	107	134.5 Å²	134.5	75%	0.748	72%	0.723	S	S	*	*			trans	73.4	157.5	160.5	86.5	0	0	0	0	115.2
343	E	26.3	Very low	27.1	Very low	135 Å²	135	134.3 Å²	134.3	63%	0.631	72%	0.723	S	S	*	*			cis	-161.9	157.1	-9.5	-132.7	-170.7	163.8	0	0	109.5
344	K	25.5	Very low	27	Very low	158 Å²	158	135.6 Å²	135.6	69%	0.687	73%	0.727	S	S	*	*			trans	64.4	167.2	153.4	-71.7	165.3	-176.8	147.2	0	115.8
345	D	26.3	Very low	26.2	Very low	108 Å²	108	138 Å²	138	58%	0.578	73%	0.733	S	S	*	*			cis	-155.1	165.6	5.8	-141.6	-10.9	0	0	0	113.3
346	K	30.1	Very low	26.1	Very low	156 Å²	156	132.5 Å²	132.5	68%	0.678	73%	0.725	S	S	*	*			trans	66.2	145	156.5	-62.4	164.3	-178.4	85.9	0	118
347	N	26.4	Very low	26.1	Very low	119 Å²	119	135 Å²	135	64%	0.636	73%	0.731	S	S	*	*			cis	-163.1	145.9	-9.7	-113.8	-4.3	0	0	0	111.5
348	L	31.4	Very low	26.1	Very low	145 Å²	145	131.9 Å²	131.9	76%	0.759	73%	0.729	S	S	*	*			trans	52.1	148.2	139.7	-57	170.9	0	0	0	121.3
349	H	24.8	Very low	26	Very low	156 Å²	156	128.7 Å²	128.7	72%	0.722	72%	0.724	S	S	*	*			cis	-165.5	179.3	-24.6	-166.1	-109.4	0	0	0	109.1
350	M	27.7	Very low	26.1	Very low	153 Å²	153	132.5 Å²	132.5	75%	0.754	73%	0.732	S	S	*	*			trans	-51.4	163.1	169.6	-48.5	-55.6	-179.9	0	0	113.1
351	G	25.6	Very low	26.2	Very low	67 Å²	67	131.8 Å²	131.8	69%	0.691	72%	0.723	S	S	*	*			cis	136.5	-163.7	8.7	0	0	0	0	0	110.5
352	E	24.2	Very low	26.2	Very low	186 Å²	186	135.4 Å²	135.4	87%	0.869	73%	0.727	S	S	*	*			trans	69	95.7	171.7	-58.2	-175.3	168.7	0	0	118.1
353	D	25.8	Very low	26.2	Very low	150 Å²	150	139.1 Å²	139.1	80%	0.802	74%	0.737	S	S	*	*				17.2	148.2	125.2	-51.8	-25.4	0	0	0	121.2
354	T	26.8	Very low	26.1	Very low	122 Å²	122	136.3 Å²	136.3	75%	0.748	75%	0.745	S	S	*	*				157.1	108	121.4	-70	0	0	0	0	115.5
355	I	28	Very low	26.2	Very low	152 Å²	152	134.9 Å²	134.9	78%	0.779	76%	0.755	S	S	*	*			trans	75.2	117.4	140.1	-72.1	178	0	0	0	123.6
356	C	23	Very low	26.2	Very low	103 Å²	103	141.3 Å²	141.3	70%	0.696	77%	0.771	S	S	*	*			trans	79	131.9	134.5	-79.8	0	0	0	0	127.9
357	L	28.1	Very low	26	Very low	143 Å²	143	139 Å²	139	75%	0.749	77%	0.774	S	S	*	*				89.1	113.4	128	-75.3	168.5	0	0	0	123.9
358	T	24.2	Very low	26.1	Very low	134 Å²	134	139.1 Å²	139.1	82%	0.822	78%	0.782	S	S	*	*			trans	58.6	127.3	140	49.5	0	0	0	0	122.5
359	G	23.8	Very low	25.9	Very low	73 Å²	73	139 Å²	139	75%	0.753	79%	0.786	S	S	*	*			trans	165.8	83.6	157.9	0	0	0	0	0	119
360	H	26.8	Very low	26.2	Very low	168 Å²	168	137.9 Å²	137.9	78%	0.778	79%	0.791	S	S	*	*			trans	49.9	105.5	151.4	-80.7	-102.3	0	0	0	123.8
361	Q	26.6	Very low	26.2	Very low	134 Å²	134	136.2 Å²	136.2	63%	0.626	79%	0.789	S	S	*	*				65.8	123	126.8	-68.9	-165.6	44.9	0	0	124.2
362	K	23.6	Very low	26.7	Very low	175 Å²	175	139.2 Å²	139.2	76%	0.761	80%	0.796	S	S	*	*			trans	70.1	105.9	136.4	-69.6	174.2	178	153.3	0	120.3
363	L	25.6	Very low	27.2	Very low	184 Å²	184	141.5 Å²	141.5	96%	0.963	80%	0.797	S	S	*	*				-141.2	163.4	117.8	-140.5	70	0	0	0	110.3
364	G	24.9	Very low	27.8	Very low	77 Å²	77	139.1 Å²	139.1	79%	0.794	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-75.9	140.9	-164	0	0	0	0	0	115.8
365	S	26.2	Very low	28.6	Very low	127 Å²	127	141.8 Å²	141.8	89%	0.888	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-79.7	128.4	175.6	45.8	0	0	0	0	112.3
366	R	26.3	Very low	30	Very low	243 Å²	243	143.7 Å²	143.7	92%	0.917	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-98.7	125.9	174.2	-168.1	177	-174.1	177.2	1.9	108.8
367	S	26.6	Very low	31.2	Very low	107 Å²	107	146.9 Å²	146.9	75%	0.748	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-67.9	143.3	-175.2	47.8	0	0	0	0	113.1
368	P	29.2	Very low	32.1	Very low	122 Å²	122	144.6 Å²	144.6	79%	0.792	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-74	163.2	175.7	30.9	-34.9	0	0	0	112.7
369	V	26.9	Very low	33.5	Very low	142 Å²	142	141 Å²	141	86%	0.861	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-81.6	135	-167.3	177.4	0	0	0	0	112.8
370	V	29.5	Very low	35.3	Very low	134 Å²	134	143.1 Å²	143.1	81%	0.812	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-100.3	136.7	168.6	177.7	0	0	0	0	109.9
371	T	28.4	Very low	37	Very low	117 Å²	117	142.5 Å²	142.5	72%	0.718	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-78.6	149.8	-179.3	46.1	0	0	0	0	113
372	P	35.8	Very low	38.6	Very low	130 Å²	130	139.6 Å²	139.6	84%	0.844	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-79.1	127.3	-164.2	29.4	-35.6	0	0	0	114.3
373	R	36.3	Very low	40.5	Very low	235 Å²	235	134.6 Å²	134.6	89%	0.887	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-77.9	146.2	167.7	-71.4	-178.6	171.1	179.6	-3	111
374	S	37.5	Very low	42.5	Very low	100 Å²	100	128.1 Å²	128.1	70%	0.699	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-78.6	128.3	-164	72	0	0	0	0	115.4	R376	S374-R376 VanDerWaalsContact C-N 3.27Å; S374-R376 PolarHBondContact O-N 2.97Å
375	H	43.9	Very low	44.4	Very low	178 Å²	178	132.6 Å²	132.6	82%	0.824	70%	0.704	S	S	*	*			trans	-77	58	174.2	-75.7	-101	0	0	0	114.1
376	R	56.3	Low	46.6	Very low	192 Å²	192	131.5 Å²	131.5	73%	0.725	69%	0.687	S	S	*	*			trans	-92.6	104.2	172.2	-78.8	-172.3	172.1	-175.6	-0.2	111.4	S374 C378 A379	S374-R376 VanDerWaalsContact C-N 3.27Å; S374-R376 PolarHBondContact O-N 2.97Å; R376-C378 PolarHBondContact O-N 3.4Å; R376-A379 PolarHBondContact O-N 3.25Å
377	K	49.2	Very low	48.5	Very low	169 Å²	169	122.7 Å²	122.7	74%	0.735	67%	0.667	S	S	*	*	H	α-helix	trans	-51.3	-19.4	178.2	-67.5	-174.2	177.8	-177.1	0	115.4	K381	K377-K381 PolarHBondContact O-N 3.35Å
378	C	46.9	Very low	50.3	Low	96 Å²	96	123.1 Å²	123.1	65%	0.649	66%	0.657	S	S	*	*	H	α-helix	trans	-64.2	-48.8	172.8	-169	0	0	0	0	111.9	R376 Q380 K381 T382	R376-C378 PolarHBondContact O-N 3.4Å; C378-Q380 VanDerWaalsContact C-N 3.3Å; C378-Q380 PolarHBondContact O-N 3.07Å; C378-K381 PolarHBondContact O-N 2.85Å; C378-T382 PolarHBondContact O-N 3.08Å; C378-T382 PolarHBondContact O-OG1 3.31Å
379	A	52.8	Low	52	Low	59 Å²	59	123.3 Å²	123.3	49%	0.488	65%	0.647	S	S	.	*	H	α-helix	trans	-61.8	-38.3	-177	0	0	0	0	0	112.3	R376 T382 S383	R376-A379 PolarHBondContact O-N 3.25Å; A379-T382 WeakPolarHBondContact CA-OG1 3.45Å; A379-T382 PolarHBondContact O-N 2.86Å; A379-T382 PolarHBondContact O-OG1 3.34Å; A379-S383 PolarHBondContact O-N 2.83Å; A379-S383 PolarHBondContact O-OG 3.02Å
380	Q	61.4	Low	53.5	Low	116 Å²	116	122 Å²	122	54%	0.542	63%	0.633	S	S	.	*	H	α-helix	trans	-67.3	-34.2	175.2	-68.2	173.8	-43.7	0	0	112.5	C378 S383 A384	C378-Q380 VanDerWaalsContact C-N 3.3Å; C378-Q380 PolarHBondContact O-N 3.07Å; Q380-S383 WeakPolarHBondContact CA-OG 3.36Å; Q380-S383 PolarHBondContact O-OG 3.06Å; Q380-S383 VanDerWaalsContact O-OG 3.06Å; Q380-A384 VanDerWaalsContact O-CB 3.28Å; Q380-A384 WeakPolarHBondContact O-CB 3.45Å; Q380-A384 PolarHBondContact O-N 2.85Å
381	K	64	Low	55	Low	156 Å²	156	118.6 Å²	118.6	68%	0.678	62%	0.615	S	S	*	*	H	α-helix	trans	-74.4	-32.2	174.5	-76.7	-167.8	172.3	-163.2	0	112.9	K377 C378 R385	K377-K381 PolarHBondContact O-N 3.35Å; C378-K381 PolarHBondContact O-N 2.85Å; K381-R385 WeakPolarHBondContact O-CB 3.5Å; K381-R385 WeakPolarHBondContact O-CG 3.43Å; K381-R385 PolarHBondContact O-N 2.9Å; K381-R385 VanDerWaalsContact O-N 3.14Å
382	T	59.5	Low	56.8	Low	72 Å²	72	118.3 Å²	118.3	44%	0.442	61%	0.608	S	S	.	*	H	α-helix	trans	-71.1	-42.3	171.6	44.3	0	0	0	0	111.7	C378 A379 A384 R385 I386	C378-T382 PolarHBondContact O-N 3.08Å; C378-T382 PolarHBondContact O-OG1 3.31Å; A379-T382 WeakPolarHBondContact CA-OG1 3.45Å; A379-T382 PolarHBondContact O-N 2.86Å; A379-T382 PolarHBondContact O-OG1 3.34Å; T382-A384 PolarHBondContact O-N 2.86Å; T382-R385 PolarHBondContact O-N 3.32Å; T382-I386 WeakPolarHBondContact O-CB 3.39Å; T382-I386 WeakPolarHBondContact O-CD1 3.37Å; T382-I386 VanDerWaalsContact O-CG1 3.24Å; T382-I386 WeakPolarHBondContact O-CG1 3.23Å; T382-I386 PolarHBondContact O-N 2.89Å
383	S	63.5	Low	57.8	Low	70 Å²	70	116.8 Å²	116.8	49%	0.49	59%	0.593	S	S	.	*	H	α-helix	trans	-65.9	-38.5	176.3	61.8	0	0	0	0	112.5	A379 Q380 I386 A387	A379-S383 PolarHBondContact O-N 2.83Å; A379-S383 PolarHBondContact O-OG 3.02Å; Q380-S383 WeakPolarHBondContact CA-OG 3.36Å; Q380-S383 PolarHBondContact O-OG 3.06Å; Q380-S383 VanDerWaalsContact O-OG 3.06Å; S383-I386 PolarHBondContact O-N 2.88Å; S383-A387 PolarHBondContact O-N 3.08Å
384	A	67	Low	58.4	Low	49 Å²	49	110.1 Å²	110.1	41%	0.405	58%	0.575	S	S	.	*	H	α-helix	trans	-61.6	-46.5	173.8	0	0	0	0	0	111.9	Q380 T382 I386 A387 E388	Q380-A384 VanDerWaalsContact O-CB 3.28Å; Q380-A384 WeakPolarHBondContact O-CB 3.45Å; Q380-A384 PolarHBondContact O-N 2.85Å; T382-A384 PolarHBondContact O-N 2.86Å; A384-I386 PolarHBondContact O-N 3.49Å; A384-A387 WeakPolarHBondContact O-CB 3.4Å; A384-A387 PolarHBondContact O-N 3.32Å; A384-A387 VanDerWaalsContact O-N 3.16Å; A384-E388 WeakPolarHBondContact O-CG 3.1Å; A384-E388 PolarHBondContact O-N 2.91Å
385	R	65.8	Low	58.9	Low	171 Å²	171	109.5 Å²	109.5	65%	0.645	57%	0.567	S	S	*	*	H	α-helix	trans	-65.9	-35.7	177.5	-78	177.8	168.9	-171	-7	113.8	K381 T382 A387 E388 Q389	K381-R385 WeakPolarHBondContact O-CB 3.5Å; K381-R385 WeakPolarHBondContact O-CG 3.43Å; K381-R385 PolarHBondContact O-N 2.9Å; K381-R385 VanDerWaalsContact O-N 3.14Å; T382-R385 PolarHBondContact O-N 3.32Å; R385-A387 VanDerWaalsContact C-N 3.31Å; R385-E388 PolarHBondContact O-N 3.35Å; R385-Q389 WeakPolarHBondContact O-CB 2.98Å; R385-Q389 WeakPolarHBondContact O-CG 3.43Å; R385-Q389 PolarHBondContact O-N 2.58Å
386	I	71.5	Confident	59	Low	103 Å²	103	107 Å²	107	53%	0.528	56%	0.559	S	S	.	*	H	α-helix	trans	-64.9	-38.6	173.5	-69.2	163.3	0	0	0	110	T382 S383 A384 Q389 M390	T382-I386 WeakPolarHBondContact O-CB 3.39Å; T382-I386 WeakPolarHBondContact O-CD1 3.37Å; T382-I386 VanDerWaalsContact O-CG1 3.24Å; T382-I386 WeakPolarHBondContact O-CG1 3.23Å; T382-I386 PolarHBondContact O-N 2.89Å; S383-I386 PolarHBondContact O-N 2.88Å; A384-I386 PolarHBondContact O-N 3.49Å; I386-Q389 PolarHBondContact O-N 3.2Å; I386-M390 WeakPolarHBondContact O-CB 3.46Å; I386-M390 WeakPolarHBondContact O-CG 3.4Å; I386-M390 PolarHBondContact O-N 3.38Å
387	A	66.8	Low	58.4	Low	59 Å²	59	105.1 Å²	105.1	49%	0.488	56%	0.558	S	S	.	*	H	α-helix	trans	-66.9	-42.2	173.2	0	0	0	0	0	112.8	S383 A384 R385 Q389 M390 S391	S383-A387 PolarHBondContact O-N 3.08Å; A384-A387 WeakPolarHBondContact O-CB 3.4Å; A384-A387 PolarHBondContact O-N 3.32Å; A384-A387 VanDerWaalsContact O-N 3.16Å; R385-A387 VanDerWaalsContact C-N 3.31Å; A387-Q389 PolarHBondContact O-N 2.96Å; A387-M390 PolarHBondContact O-N 3.01Å; A387-S391 PolarHBondContact O-N 3.1Å; A387-S391 PolarHBondContact O-OG 2.97Å
388	E	64.2	Low	57.9	Low	115 Å²	115	101.2 Å²	101.2	54%	0.537	55%	0.552	S	S	.	*	H	α-helix	trans	-60.1	-44.5	173.9	-71.3	171.7	142	0	0	111.3	A384 R385 S391 L392	A384-E388 WeakPolarHBondContact O-CG 3.1Å; A384-E388 PolarHBondContact O-N 2.91Å; R385-E388 PolarHBondContact O-N 3.35Å; E388-S391 WeakPolarHBondContact CA-OG 3.44Å; E388-S391 PolarHBondContact O-N 2.87Å; E388-S391 PolarHBondContact O-OG 3.12Å; E388-L392 WeakPolarHBondContact O-CG 3.43Å; E388-L392 PolarHBondContact O-N 3.16Å
389	Q	64.4	Low	57.4	Low	127 Å²	127	103.3 Å²	103.3	59%	0.593	56%	0.557	S	S	*	*	H	α-helix	trans	-66.7	-37.4	176.6	-71.8	-172.7	-93.2	0	0	112.8	R385 I386 A387 L392 L393	R385-Q389 WeakPolarHBondContact O-CB 2.98Å; R385-Q389 WeakPolarHBondContact O-CG 3.43Å; R385-Q389 PolarHBondContact O-N 2.58Å; I386-Q389 PolarHBondContact O-N 3.2Å; A387-Q389 PolarHBondContact O-N 2.96Å; Q389-L392 PolarHBondContact O-N 3.11Å; Q389-L393 WeakPolarHBondContact O-CG 3.49Å; Q389-L393 PolarHBondContact O-N 2.68Å
390	M	59.1	Low	56.7	Low	113 Å²	113	109.1 Å²	109.1	56%	0.557	57%	0.574	S	S	*	*	H	α-helix	trans	-62.5	-44.1	171.7	-72.2	-88.7	-67.9	0	0	111.5	I386 A387 L392 L393 N394	I386-M390 WeakPolarHBondContact O-CB 3.46Å; I386-M390 WeakPolarHBondContact O-CG 3.4Å; I386-M390 PolarHBondContact O-N 3.38Å; A387-M390 PolarHBondContact O-N 3.01Å; M390-L392 VanDerWaalsContact C-N 3.35Å; M390-L392 PolarHBondContact O-N 3.43Å; M390-L393 PolarHBondContact O-N 3.21Å; M390-N394 PolarHBondContact O-N 2.74Å; M390-N394 PolarHBondContact O-OD1 3.02Å; M390-N394 VanDerWaalsContact O-OD1 3.08Å
391	S	60.8	Low	55.4	Low	64 Å²	64	112.2 Å²	112.2	45%	0.448	59%	0.589	S	S	.	*	H	α-helix	trans	-64.9	-37.7	177.2	56.3	0	0	0	0	113	A387 E388 T395	A387-S391 PolarHBondContact O-N 3.1Å; A387-S391 PolarHBondContact O-OG 2.97Å; E388-S391 WeakPolarHBondContact CA-OG 3.44Å; E388-S391 PolarHBondContact O-N 2.87Å; E388-S391 PolarHBondContact O-OG 3.12Å; S391-T395 PolarHBondContact O-N 2.92Å; S391-T395 PolarHBondContact O-OG1 3.38Å
392	L	66.2	Low	54	Low	110 Å²	110	114 Å²	114	58%	0.576	60%	0.599	S	S	*	*	H	α-helix	trans	-68.8	-37.7	177.6	-73.2	168.1	0	0	0	112.4	E388 Q389 M390 T395 L396	E388-L392 WeakPolarHBondContact O-CG 3.43Å; E388-L392 PolarHBondContact O-N 3.16Å; Q389-L392 PolarHBondContact O-N 3.11Å; M390-L392 VanDerWaalsContact C-N 3.35Å; M390-L392 PolarHBondContact O-N 3.43Å; L392-T395 PolarHBondContact O-N 3.02Å; L392-L396 WeakPolarHBondContact O-CG 3.24Å; L392-L396 PolarHBondContact O-N 3.38Å
393	L	55.8	Low	52.6	Low	99 Å²	99	117.4 Å²	117.4	52%	0.518	62%	0.615	S	S	.	*	H	α-helix	trans	-63.7	-50.6	173.3	-76.1	164.9	0	0	0	111.1	Q389 M390 T395 L396 E397	Q389-L393 WeakPolarHBondContact O-CG 3.49Å; Q389-L393 PolarHBondContact O-N 2.68Å; M390-L393 PolarHBondContact O-N 3.21Å; L393-T395 PolarHBondContact O-N 3.2Å; L393-T395 VanDerWaalsContact O-N 3.16Å; L393-L396 PolarHBondContact O-N 3.05Å; L393-E397 PolarHBondContact O-N 2.66Å
394	N	50	Low	50.7	Low	95 Å²	95	122.8 Å²	122.8	51%	0.508	63%	0.63	S	S	.	*	H	α-helix	trans	-59.9	-28.9	178.3	-68.5	22.9	0	0	0	113.2	M390 S398	M390-N394 PolarHBondContact O-N 2.74Å; M390-N394 PolarHBondContact O-OD1 3.02Å; M390-N394 VanDerWaalsContact O-OD1 3.08Å; N394-S398 PolarHBondContact O-OG 3.25Å
395	T	47.5	Very low	48.8	Very low	86 Å²	86	128.6 Å²	128.6	53%	0.528	65%	0.653	S	S	.	*	H	α-helix	trans	-76.6	-31.1	176.4	-50.8	0	0	0	0	111.8	S391 L392 L393 S398	S391-T395 PolarHBondContact O-N 2.92Å; S391-T395 PolarHBondContact O-OG1 3.38Å; L392-T395 PolarHBondContact O-N 3.02Å; L393-T395 PolarHBondContact O-N 3.2Å; L393-T395 VanDerWaalsContact O-N 3.16Å; T395-S398 WeakPolarHBondContact O-CB 3.29Å; T395-S398 PolarHBondContact O-N 3.42Å
396	L	45.8	Very low	47.1	Very low	127 Å²	127	126.7 Å²	126.7	67%	0.665	67%	0.666	S	S	*	*	H	α-helix	trans	-78.1	-29.3	176.6	-70	168.1	0	0	0	112.8	L392 L393 S398	L392-L396 WeakPolarHBondContact O-CG 3.24Å; L392-L396 PolarHBondContact O-N 3.38Å; L393-L396 PolarHBondContact O-N 3.05Å; L396-S398 PolarHBondContact O-N 3.49Å
397	E	43.9	Very low	45	Very low	151 Å²	151	127.3 Å²	127.3	71%	0.706	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-1	171.7	-67.5	177.9	167.2	0	0	113.2	L393	L393-E397 PolarHBondContact O-N 2.66Å
398	S	39.2	Very low	43.3	Very low	87 Å²	87	130.1 Å²	130.1	61%	0.608	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-18.6	-178.9	-61.1	0	0	0	0	114.7	N394 T395 L396	N394-S398 PolarHBondContact O-OG 3.25Å; T395-S398 WeakPolarHBondContact O-CB 3.29Å; T395-S398 PolarHBondContact O-N 3.42Å; L396-S398 PolarHBondContact O-N 3.49Å
399	D	36.9	Very low	41.5	Very low	141 Å²	141	127.7 Å²	127.7	75%	0.754	70%	0.702	S	S	*	*	S	Bend	trans	-110.1	4.2	-165.9	-75.1	-20.4	0	0	0	114.5
400	E	37.3	Very low	39.7	Very low	181 Å²	181	127.5 Å²	127.5	85%	0.846	71%	0.714	S	S	*	*	S	Bend	trans	-116.6	2.6	-176.6	-68.1	-161.2	157.8	0	0	116.3
401	E	34.8	Very low	38.2	Very low	181 Å²	181	126.7 Å²	126.7	85%	0.846	72%	0.719	S	S	*	*	S	Bend	trans	-120.3	41.5	-177.4	-68.4	-158.4	160	0	0	116.1
402	E	33.2	Very low	36.6	Very low	192 Å²	192	133.5 Å²	133.5	90%	0.897	74%	0.737	S	S	*	*	S	Bend	trans	-139.6	60.5	161.4	-84.2	-65.1	-179	0	0	111.8
403	D	30.2	Very low	34.8	Very low	144 Å²	144	133 Å²	133	77%	0.77	74%	0.742	S	S	*	*	S	Bend	trans	-149.3	153	160.2	-146.5	-22.2	0	0	0	110.8
404	F	24.9	Very low	33.4	Very low	184 Å²	184	138.2 Å²	138.2	81%	0.807	76%	0.755	S	S	*	*			trans	57.9	86.3	-178	-81.9	-99.7	0	0	0	118.9
405	L	26.9	Very low	32.2	Very low	171 Å²	171	137.9 Å²	137.9	90%	0.895	76%	0.76	S	S	*	*				-159.6	102.3	125.7	-88.3	-159.7	0	0	0	112.2
406	S	29.5	Very low	31.1	Very low	131 Å²	131	141.8 Å²	141.8	92%	0.916	77%	0.773	S	S	*	*			trans	-168.5	103.3	159.3	-89.4	0	0	0	0	114.3
407	S	28.6	Very low	30.2	Very low	115 Å²	115	144.1 Å²	144.1	80%	0.804	78%	0.78	S	S	*	*			trans	171.9	135.7	159.2	179.2	0	0	0	0	107.7
408	S	31	Very low	29.4	Very low	119 Å²	119	145.5 Å²	145.5	83%	0.832	79%	0.786	S	S	*	*			cis	-152.5	163.9	-4.8	-92.3	0	0	0	0	107.8
409	G	25.6	Very low	28.8	Very low	64 Å²	64	148.9 Å²	148.9	66%	0.66	79%	0.793	S	S	*	*			cis	160.3	-171	1.5	0	0	0	0	0	110.6
410	S	27.5	Very low	28.4	Very low	122 Å²	122	146.4 Å²	146.4	85%	0.853	79%	0.786	S	S	*	*			trans	73.3	140.4	-179.6	-140.1	0	0	0	0	114.4
411	S	27.3	Very low	27.9	Very low	96 Å²	96	145.7 Å²	145.7	67%	0.671	78%	0.783	S	S	*	*			cis	-157.9	172.2	9.5	-137.6	0	0	0	0	114.4
412	Y	27.3	Very low	27.7	Very low	208 Å²	208	141.2 Å²	141.2	82%	0.816	77%	0.768	S	S	*	*			trans	80.1	116.5	153.2	-108.5	-111.6	0	0	0	122.3
413	S	27.1	Very low	27.2	Very low	98 Å²	98	139.2 Å²	139.2	69%	0.685	76%	0.763	S	S	*	*			trans	65.8	153.9	142.8	-70.8	0	0	0	0	121.4
414	R	25.9	Very low	26.9	Very low	210 Å²	210	136.8 Å²	136.8	79%	0.792	76%	0.756	S	S	*	*			cis	-175.7	146.9	-22.6	179.9	-170	165.8	135.2	1.1	107.5
415	S	25.8	Very low	27	Very low	88 Å²	88	134.1 Å²	134.1	62%	0.615	76%	0.755	S	S	*	*			trans	62.1	160.9	165.4	32.3	0	0	0	0	115.9
416	E	25.2	Very low	26.9	Very low	168 Å²	168	130.3 Å²	130.3	79%	0.785	74%	0.743	S	S	*	*			cis	-171.3	-171.1	-37	-113.7	153.4	-159.7	0	0	105.3
417	E	25.8	Very low	26.8	Very low	175 Å²	175	132.9 Å²	132.9	82%	0.818	74%	0.737	S	S	*	*			trans	70.3	116.8	178.8	-59.1	165.2	-148.1	0	0	112.8
418	E	27.2	Very low	26.8	Very low	180 Å²	180	137.8 Å²	137.8	84%	0.841	74%	0.738	S	S	*	*				73.3	139.5	58.2	-61.5	-178.5	172.1	0	0	111.7
419	E	27.1	Very low	26.7	Very low	159 Å²	159	137.8 Å²	137.8	74%	0.743	73%	0.729	S	S	*	*			cis	-157.3	176.7	14.3	-151.9	-154.4	-140	0	0	111.9
420	S	27.9	Very low	26.8	Very low	89 Å²	89	139.5 Å²	139.5	62%	0.622	73%	0.731	S	S	*	*			trans	52.5	160.3	149.5	40.2	0	0	0	0	121.6
421	E	27.4	Very low	26.8	Very low	165 Å²	165	142.9 Å²	142.9	77%	0.771	73%	0.73	S	S	*	*			cis	-162	158	-16.4	-99.8	-105.7	117.7	0	0	107.2
422	V	29.8	Very low	26.8	Very low	88 Å²	88	143.4 Å²	143.4	53%	0.533	73%	0.734	S	S	.	*			cis	-169.9	160.9	-32.3	79	0	0	0	0	110.3
423	L	24.2	Very low	26.8	Very low	150 Å²	150	139.4 Å²	139.4	79%	0.785	74%	0.736	S	S	*	*			trans	59.4	161.6	160.5	-64	179.9	0	0	0	119.9
424	C	23.9	Very low	27	Very low	92 Å²	92	146 Å²	146	62%	0.622	75%	0.746	S	S	*	*			cis	-165.3	130.1	-46.8	-137	0	0	0	0	111.7
425	T	25.3	Very low	27	Very low	129 Å²	129	144 Å²	144	79%	0.791	75%	0.746	S	S	*	*			trans	63.9	160.7	151.1	63.1	0	0	0	0	118.2
426	S	26.6	Very low	27.1	Very low	91 Å²	91	147.9 Å²	147.9	64%	0.636	75%	0.752	S	S	*	*			cis	-154.5	144.8	26.4	75	0	0	0	0	117
427	K	27.3	Very low	27.1	Very low	185 Å²	185	145.3 Å²	145.3	80%	0.804	75%	0.752	S	S	*	*			trans	52.9	128.3	133	-59.5	169.6	-175.9	175	0	117.6
428	R	28.3	Very low	27.4	Very low	217 Å²	217	143 Å²	143	82%	0.819	75%	0.751	S	S	*	*				-154.7	152.5	57.8	-94	-172.7	145.7	116.7	-1.7	115.7
429	D	28.7	Very low	28.4	Very low	119 Å²	119	139.4 Å²	139.4	64%	0.636	74%	0.743	S	S	*	*			trans	40.7	105.2	133.2	-40.3	-20.2	0	0	0	117
430	S	27	Very low	28.4	Very low	100 Å²	100	141.3 Å²	141.3	70%	0.699	75%	0.748	S	S	*	*			cis	102.8	129.4	31.2	77.7	0	0	0	0	114.2
431	K	28.2	Very low	28.7	Very low	193 Å²	193	142 Å²	142	84%	0.839	75%	0.753	S	S	*	*			trans	63.7	114.4	160.4	-64.9	179	179.5	177.8	0	116.7
432	S	27	Very low	28.9	Very low	108 Å²	108	139.5 Å²	139.5	76%	0.755	75%	0.754	S	S	*	*			cis	88.2	112.4	47.8	76.2	0	0	0	0	115.2
433	S	27.3	Very low	29.2	Very low	124 Å²	124	146.1 Å²	146.1	87%	0.867	77%	0.769	S	S	*	*			trans	-158.4	155.6	140.4	53.3	0	0	0	0	109.8
434	R	30.3	Very low	29.6	Very low	236 Å²	236	148 Å²	148	89%	0.891	77%	0.771	S	S	*	*			trans	-89.1	161.2	168.3	-62.9	168.4	173.4	160.3	-4.4	108.2
435	E	26.9	Very low	30	Very low	168 Å²	168	148.8 Å²	148.8	79%	0.785	78%	0.778	S	S	*	*				177.8	155.1	117	-97.5	-179.9	-165.4	0	0	116.6
436	F	26.9	Very low	30.2	Very low	169 Å²	169	147.7 Å²	147.7	74%	0.741	78%	0.776	S	S	*	*			trans	23.4	121.1	157	-65.3	-69.2	0	0	0	125.2
437	S	26.2	Very low	30.3	Very low	114 Å²	114	149.6 Å²	149.6	80%	0.797	78%	0.783	S	S	*	*				69.2	144.3	127.4	70.5	0	0	0	0	122.8
438	T	32.3	Very low	30.6	Very low	128 Å²	128	148.5 Å²	148.5	79%	0.785	78%	0.78	S	S	*	*			trans	-73.6	173.8	166.3	58.6	0	0	0	0	111.2
439	P	47.1	Very low	30.6	Very low	104 Å²	104	143.9 Å²	143.9	68%	0.675	78%	0.777	S	S	*	*			cis	-143.5	-157.4	16.3	36.6	-11.6	0	0	0	115.5
440	K	28.8	Very low	31.2	Very low	198 Å²	198	144.3 Å²	144.3	86%	0.861	79%	0.786	S	S	*	*			trans	84.5	156.8	168.7	-57.1	167.5	-174.2	171.5	0	115.9
441	S	32.8	Very low	31.4	Very low	104 Å²	104	143.9 Å²	143.9	73%	0.727	79%	0.788	S	S	*	*			cis	-174.6	158.9	-25.2	-180	0	0	0	0	111.1
442	S	31.5	Very low	31.6	Very low	112 Å²	112	144.8 Å²	144.8	78%	0.783	79%	0.792	S	S	*	*			trans	74.8	160.7	155.6	83.2	0	0	0	0	119.8
443	R	36.6	Very low	32	Very low	227 Å²	227	145.6 Å²	145.6	86%	0.857	79%	0.792	S	S	*	*			cis	-176.8	163	-29.9	-175.1	175.5	-169.9	-170	4.7	110.6
444	K	33.5	Very low	32.5	Very low	190 Å²	190	145.9 Å²	145.9	83%	0.826	79%	0.791	S	S	*	*			trans	81.9	152	174	-47	177.7	-179.6	177.1	0	113.5
445	S	30.9	Very low	32.8	Very low	109 Å²	109	144 Å²	144	76%	0.762	79%	0.79	S	S	*	*			cis	-167.3	167.5	5	8.5	0	0	0	0	108.9
446	S	29.4	Very low	33.1	Very low	106 Å²	106	146.1 Å²	146.1	74%	0.741	80%	0.796	S	S	*	*			cis	-176.7	-175.3	-19.2	49.1	0	0	0	0	110.7
447	V	30.7	Very low	33.5	Very low	130 Å²	130	144.6 Å²	144.6	79%	0.788	80%	0.801	S	S	*	*			trans	80.3	92.1	165.9	-165.9	0	0	0	0	120.3
448	H	33.5	Very low	34	Very low	162 Å²	162	144.9 Å²	144.9	75%	0.75	80%	0.8	S	S	*	*				34.5	111.2	120.8	-90.9	-72.4	0	0	0	124.8
449	T	27	Very low	34.3	Very low	121 Å²	121	146.5 Å²	146.5	74%	0.742	80%	0.803	S	S	*	*				60.8	164.4	127.6	36.2	0	0	0	0	121.2
450	P	41.3	Very low	34	Very low	128 Å²	128	147.3 Å²	147.3	83%	0.831	81%	0.809	S	S	*	*			cis	-125.1	-173.4	14	43.1	-27.3	0	0	0	116.2
451	A	31.3	Very low	34.3	Very low	90 Å²	90	141.6 Å²	141.6	74%	0.744	81%	0.805	S	S	*	*			trans	-124.6	157.1	-177.4	0	0	0	0	0	112.9
452	K	32.1	Very low	34.9	Very low	213 Å²	213	142.6 Å²	142.6	93%	0.926	81%	0.808	S	S	*	*			trans	-170.9	160.3	141	-103.7	155.2	-173.2	177.9	0	111.8
453	T	36.6	Very low	35.6	Very low	124 Å²	124	143.1 Å²	143.1	76%	0.761	81%	0.808	S	S	*	*			trans	-94.8	170.4	-174.7	54	0	0	0	0	112.5
454	P	36.9	Very low	36.1	Very low	130 Å²	130	142 Å²	142	84%	0.844	81%	0.809	S	S	*	*				-129.7	166.4	113.9	37.5	-32.3	0	0	0	114.2
455	K	37.5	Very low	36.8	Very low	197 Å²	197	138.9 Å²	138.9	86%	0.857	81%	0.807	S	S	*	*			trans	-86.4	154.2	-178.9	-56.5	169.3	-178.1	173.2	0	111.4
456	K	33.2	Very low	37.6	Very low	212 Å²	212	138.7 Å²	138.7	92%	0.922	80%	0.803	S	S	*	*			trans	-142.1	159.9	150.3	-112.1	175.8	-177.8	179.1	0	111.3
457	T	34.3	Very low	38.5	Very low	137 Å²	137	145.1 Å²	145.1	84%	0.84	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-83.8	164.6	-159.1	16.3	0	0	0	0	114.6
458	P	36.1	Very low	39.4	Very low	120 Å²	120	146.3 Å²	146.3	78%	0.779	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-83.1	154.5	-166.5	33.9	-36.6	0	0	0	114.3
459	L	38.5	Very low	40	Very low	162 Å²	162	142.7 Å²	142.7	85%	0.848	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-88.4	157.2	162.6	-75.3	166.9	0	0	0	110.8	G461	L459-G461 PolarHBondContact O-N 3.06Å
460	P	40.6	Very low	41.3	Very low	122 Å²	122	142.4 Å²	142.4	79%	0.792	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-59.5	134	-175	-24.9	35.2	0	0	0	113.3	T462	P460-T462 PolarHBondContact O-N 2.92Å
461	G	35.6	Very low	41.4	Very low	77 Å²	77	142 Å²	142	79%	0.794	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-71.4	123	178.6	0	0	0	0	0	111.8	L459	L459-G461 PolarHBondContact O-N 3.06Å
462	T	46.3	Very low	42.1	Very low	126 Å²	126	144.1 Å²	144.1	77%	0.773	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-61.3	142.1	163.2	47.3	0	0	0	0	109.7	P460 K464	P460-T462 PolarHBondContact O-N 2.92Å; T462-K464 PolarHBondContact O-N 3.41Å
463	P	46.1	Very low	43.4	Very low	123 Å²	123	141 Å²	141	80%	0.799	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-62.4	124	-175.1	23.7	-33.1	0	0	0	110.5	T465	P463-T465 PolarHBondContact O-N 2.93Å
464	K	46.4	Very low	44.1	Very low	202 Å²	202	140.7 Å²	140.7	88%	0.878	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63.4	118.6	176.3	-67.1	175.6	-178.3	172.4	0	108.8	T462	T462-K464 PolarHBondContact O-N 3.41Å
465	T	47.9	Very low	44.6	Very low	126 Å²	126	141.9 Å²	141.9	77%	0.773	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-58.9	129.7	169.9	46.8	0	0	0	0	109.7	P463 R467	P463-T465 PolarHBondContact O-N 2.93Å; T465-R467 PolarHBondContact O-N 3.06Å
466	P	48.4	Very low	45.2	Very low	105 Å²	105	143.3 Å²	143.3	68%	0.682	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-64.7	123.9	-178.1	25.1	-33.2	0	0	0	110.6	N468	P466-N468 PolarHBondContact O-N 2.89Å
467	R	48	Very low	45.9	Very low	240 Å²	240	138.4 Å²	138.4	91%	0.906	78%	0.777	S	S	*	*	S	Bend	trans	-73.3	83.7	165.7	-72.8	-179.3	174	177.5	-3.7	108.3	T465	T465-R467 PolarHBondContact O-N 3.06Å
468	N	50	Low	46.7	Very low	155 Å²	155	139 Å²	139	83%	0.829	77%	0.771	S	S	*	*			trans	162.6	50.5	156.6	-81.3	-7.7	0	0	0	109.8	P466 T470	P466-N468 PolarHBondContact O-N 2.89Å; N468-T470 PolarHBondContact O-N 3.28Å; N468-T470 VanDerWaalsContact O-N 3.13Å
469	A	45.3	Very low	47.4	Very low	86 Å²	86	137.7 Å²	137.7	71%	0.711	77%	0.769	S	S	*	*			trans	-81.9	84.5	173.5	0	0	0	0	0	110
470	T	55.8	Low	47.9	Very low	115 Å²	115	134.3 Å²	134.3	71%	0.706	77%	0.765	S	S	*	*			trans	-58.2	136.8	164.7	-48	0	0	0	0	108.8	N468 E472	N468-T470 PolarHBondContact O-N 3.28Å; N468-T470 VanDerWaalsContact O-N 3.13Å; T470-E472 PolarHBondContact O-N 3.08Å
471	P	42.4	Very low	48.7	Very low	120 Å²	120	137.1 Å²	137.1	78%	0.779	77%	0.767	S	S	*	*			trans	-73.6	79.2	175.8	30.8	-35.2	0	0	0	110.5	I473	P471-I473 PolarHBondContact O-N 3.15Å
472	E	46.2	Very low	49.8	Very low	134 Å²	134	142.6 Å²	142.6	63%	0.626	77%	0.769	S	S	*	*			trans	-64	124.2	162.5	-71.1	-143.8	129.4	0	0	109	T470 K475	T470-E472 PolarHBondContact O-N 3.08Å; E472-K475 IonicContact OE1-NZ 3.83Å; E472-K475 PolarHBondContact OE1-NZ 2.89Å; E472-K475 IonicContact OE2-NZ 2.73Å; E472-K475 PolarHBondContact OE2-NZ 2.73Å
473	I	60.2	Low	50.4	Low	149 Å²	149	139 Å²	139	76%	0.764	75%	0.748	S	S	*	*			trans	-57.9	129.2	165	-61.1	171.2	0	0	0	106.8	P471 K475	P471-I473 PolarHBondContact O-N 3.15Å; I473-K475 PolarHBondContact O-N 2.94Å
474	P	51.1	Low	51.2	Low	116 Å²	116	137.7 Å²	137.7	75%	0.753	75%	0.748	S	S	*	*			trans	-55.3	107	-179.4	-28	35.8	0	0	0	111.4	R476	P474-R476 PolarHBondContact O-N 3.36Å
475	K	47.7	Very low	52.6	Low	155 Å²	155	130.4 Å²	130.4	67%	0.674	72%	0.723	S	S	*	*			trans	-60.4	110.9	176.4	-68.6	164.4	-175.4	148.7	0	107.3	E472 I473 S477	E472-K475 IonicContact OE1-NZ 3.83Å; E472-K475 PolarHBondContact OE1-NZ 2.89Å; E472-K475 IonicContact OE2-NZ 2.73Å; E472-K475 PolarHBondContact OE2-NZ 2.73Å; I473-K475 PolarHBondContact O-N 2.94Å; K475-S477 PolarHBondContact O-N 3.15Å
476	R	49.9	Very low	54.2	Low	227 Å²	227	129.5 Å²	129.5	86%	0.857	71%	0.712	S	S	*	*			trans	-56.3	114.9	178.6	-78.2	-178.5	169.5	174.6	-4.5	108.3	P474 H478	P474-R476 PolarHBondContact O-N 3.36Å; R476-H478 PolarHBondContact O-N 3.17Å
477	S	48	Very low	55.8	Low	109 Å²	109	124.8 Å²	124.8	76%	0.762	68%	0.681	S	S	*	*	S	Bend	trans	-66.7	-13.4	179.2	51.1	0	0	0	0	113.3	K475	K475-S477 PolarHBondContact O-N 3.15Å
478	H	50.4	Low	57.5	Low	151 Å²	151	116.2 Å²	116.2	70%	0.699	65%	0.651	S	S	*	*	S	Bend	trans	-104.1	126.9	169.4	-55.8	-80.7	0	0	0	108.3	R476	R476-H478 PolarHBondContact O-N 3.17Å
479	A	50.7	Low	59.1	Low	91 Å²	91	112 Å²	112	75%	0.752	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-52.7	145.8	159.3	0	0	0	0	0	108.8	Q481	A479-Q481 PolarHBondContact O-N 3Å
480	A	49.4	Very low	61	Low	91 Å²	91	108 Å²	108	75%	0.752	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-55.3	127.6	173.6	0	0	0	0	0	108.7	K482	A480-K482 PolarHBondContact O-N 3.15Å
481	Q	56.8	Low	62.4	Low	181 Å²	181	105.3 Å²	105.3	85%	0.846	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-58.6	137.4	173.9	-67.8	-175.8	-5.8	0	0	107.9	A479	A479-Q481 PolarHBondContact O-N 3Å
482	K	59	Low	64.6	Low	192 Å²	192	104.3 Å²	104.3	84%	0.835	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-60.1	138	172.2	-66.2	-175.3	178.6	-176.2	0	107.5	A480 A484	A480-K482 PolarHBondContact O-N 3.15Å; K482-A484 PolarHBondContact O-N 3.12Å
483	P	58.8	Low	66.4	Low	50 Å²	50	101.4 Å²	101.4	33%	0.325	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-56.8	126.2	-172.7	23.2	-34	0	0	0	110.1	S485 E488 E489 L492	P483-S485 VanDerWaalsContact C-N 3.35Å; P483-E488 VanDerWaalsContact CA-OE2 3.24Å; P483-E488 WeakPolarHBondContact CA-OE2 3.38Å; P483-E488 HydrophobicContact CB-CB 4.19Å; P483-E488 HydrophobicContact CB-CG 3.83Å; P483-E489 HydrophobicContact CB-CB 4.18Å; P483-E489 HydrophobicContact CG-CB 4.06Å; P483-E489 HydrophobicContact CG-CG 4.17Å; P483-L492 HydrophobicContact CB-CD1 4.17Å; P483-L492 HydrophobicContact CG-CD1 4.28Å
484	A	63.4	Low	67.7	Low	97 Å²	97	94.4 Å²	94.4	80%	0.802	51%	0.505	S	S	*	.			trans	-87.9	-9.6	-171.8	0	0	0	0	0	112.7	K482 E488	K482-A484 PolarHBondContact O-N 3.12Å; A484-E488 PolarHBondContact N-OE2 3.25Å
485	S	74.7	Confident	69.5	Low	49 Å²	49	93 Å²	93	34%	0.343	49%	0.488	S	S	.	.	S	Bend	trans	-134.7	144.6	-175.3	176.1	0	0	0	0	111.4	P483 L487 E488 E489	P483-S485 VanDerWaalsContact C-N 3.35Å; S485-L487 PolarHBondContact O-N 3.22Å; S485-L487 PolarHBondContact OG-N 2.99Å; S485-E488 WeakPolarHBondContact O-CB 3.45Å; S485-E488 PolarHBondContact O-N 2.87Å; S485-E489 PolarHBondContact O-N 3.44Å
486	I	81.9	Confident	71.2	Confident	107 Å²	107	87.9 Å²	87.9	55%	0.549	47%	0.469	S	S	.	.	H	α-helix	trans	-57.8	-35.1	174.3	-58.4	171.4	0	0	0	110.7	A490 M696 A698	I486-A490 WeakPolarHBondContact O-CB 3.14Å; I486-A490 PolarHBondContact O-N 2.77Å; I486-M696 HydrophobicContact CG2-CB 4.36Å; I486-M696 HydrophobicContact CG2-CG 4.47Å; I486-M696 HydrophobicContact CG2-SD 4.24Å; I486-A698 HydrophobicContact CG2-CB 4.21Å
487	L	82.3	Confident	72.7	Confident	6 Å²	6	81.6 Å²	81.6	3%	0.031	46%	0.461	C	S	.	.	H	α-helix	trans	-70.4	-33	176.1	-66.7	178.2	0	0	0	112.6	S485 R491 A698 T729 C732 E733 V744	S485-L487 PolarHBondContact O-N 3.22Å; S485-L487 PolarHBondContact OG-N 2.99Å; L487-R491 WeakPolarHBondContact O-CB 3.37Å; L487-R491 PolarHBondContact O-N 3.29Å; L487-A698 HydrophobicContact CD2-CB 4.47Å; L487-T729 HydrophobicContact CD2-CG2 4.3Å; L487-C732 HydrophobicContact CD1-CB 4.42Å; L487-E733 HydrophobicContact CD1-CB 4.38Å; L487-V744 HydrophobicContact CD2-CG2 4.14Å
488	E	83.4	Confident	74.2	Confident	60 Å²	60	78.1 Å²	78.1	28%	0.28	44%	0.438	S	S	.	.	H	α-helix	trans	-71.7	-42.6	176.1	-179.9	170.9	-134.8	0	0	111.2	P483 A484 S485 A490 R491 L492	P483-E488 VanDerWaalsContact CA-OE2 3.24Å; P483-E488 WeakPolarHBondContact CA-OE2 3.38Å; P483-E488 HydrophobicContact CB-CB 4.19Å; P483-E488 HydrophobicContact CB-CG 3.83Å; A484-E488 PolarHBondContact N-OE2 3.25Å; S485-E488 WeakPolarHBondContact O-CB 3.45Å; S485-E488 PolarHBondContact O-N 2.87Å; E488-A490 VanDerWaalsContact C-N 3.35Å; E488-R491 WeakPolarHBondContact O-CB 3.45Å; E488-R491 PolarHBondContact O-N 3.1Å; E488-R491 IonicContact OE1-NH2 2.77Å; E488-R491 PolarHBondContact OE1-NH2 2.89Å; E488-L492 WeakPolarHBondContact O-CG 3.28Å; E488-L492 PolarHBondContact O-N 3.17Å
489	E	83.9	Confident	75.3	Confident	67 Å²	67	75.2 Å²	75.2	31%	0.313	43%	0.427	S	S	.	.	H	α-helix	trans	-64	-41.3	173.5	-164.4	-171.1	150.7	0	0	111.3	P483 S485 R491 L492 R493 M696	P483-E489 HydrophobicContact CB-CB 4.18Å; P483-E489 HydrophobicContact CG-CB 4.06Å; P483-E489 HydrophobicContact CG-CG 4.17Å; S485-E489 PolarHBondContact O-N 3.44Å; E489-R491 VanDerWaalsContact C-N 3.35Å; E489-R491 PolarHBondContact O-N 2.96Å; E489-L492 PolarHBondContact O-N 3.17Å; E489-L492 VanDerWaalsContact O-N 3.15Å; E489-R493 WeakPolarHBondContact O-CG 3.4Å; E489-R493 PolarHBondContact O-N 3.3Å; E489-R493 IonicContact OE1-CZ 3.58Å; E489-R493 IonicContact OE1-NE 3.58Å; E489-R493 PolarHBondContact OE1-NE 2.97Å; E489-R493 IonicContact OE1-NH2 2.67Å; E489-R493 PolarHBondContact OE1-NH2 3.13Å; E489-M696 HydrophobicContact CB-CE 4.27Å; E489-M696 HydrophobicContact CB-SD 3.78Å; E489-M696 VanDerWaalsContact CD-SD 3.59Å; E489-M696 HydrophobicContact CG-CE 4.12Å; E489-M696 HydrophobicContact CG-SD 3.88Å
490	A	84.9	Confident	76.4	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-58.7	-43.9	172.7	0	0	0	0	0	112	I486 E488 L492 R493 L494 L693 M696 A698	I486-A490 WeakPolarHBondContact O-CB 3.14Å; I486-A490 PolarHBondContact O-N 2.77Å; E488-A490 VanDerWaalsContact C-N 3.35Å; A490-L492 VanDerWaalsContact C-N 3.3Å; A490-L492 PolarHBondContact O-N 2.72Å; A490-R493 PolarHBondContact O-N 3.3Å; A490-L494 VanDerWaalsContact O-CB 3.31Å; A490-L494 WeakPolarHBondContact O-CB 3.43Å; A490-L494 VanDerWaalsContact O-CG 3.27Å; A490-L494 WeakPolarHBondContact O-CG 3.26Å; A490-L494 PolarHBondContact O-N 2.97Å; A490-L693 HydrophobicContact CB-CD2 4.17Å; A490-M696 HydrophobicContact CB-CE 4.03Å; A490-A698 HydrophobicContact CB-CB 3.86Å
491	R	86.3	Confident	77.4	Confident	60 Å²	60	76.9 Å²	76.9	23%	0.226	41%	0.406	C	S	.	.	H	α-helix	trans	-58.2	-39.7	174.2	178.3	172.3	65.8	-150.9	-6.4	112.2	L487 E488 E489 H495 R726 E733	L487-R491 WeakPolarHBondContact O-CB 3.37Å; L487-R491 PolarHBondContact O-N 3.29Å; E488-R491 WeakPolarHBondContact O-CB 3.45Å; E488-R491 PolarHBondContact O-N 3.1Å; E488-R491 IonicContact OE1-NH2 2.77Å; E488-R491 PolarHBondContact OE1-NH2 2.89Å; E489-R491 VanDerWaalsContact C-N 3.35Å; E489-R491 PolarHBondContact O-N 2.96Å; R491-H495 PolarHBondContact O-N 2.98Å; R491-R726 HydrophobicContact CG-CG 4.07Å; R491-E733 IonicContact CZ-OE2 2.72Å; R491-E733 IonicContact NH1-OE1 2.71Å; R491-E733 IonicContact NH1-OE2 2.66Å; R491-E733 PolarHBondContact NH1-OE2 3.11Å; R491-E733 IonicContact NH2-OE1 2.69Å; R491-E733 IonicContact NH2-OE2 2.73Å
492	L	86.9	Confident	78.4	Confident	99 Å²	99	72.3 Å²	72.3	52%	0.518	39%	0.394	S	S	.	.	H	α-helix	trans	-70.2	-41.5	177	-68.3	171.1	0	0	0	112.7	P483 E488 E489 A490 H495	P483-L492 HydrophobicContact CB-CD1 4.17Å; P483-L492 HydrophobicContact CG-CD1 4.28Å; E488-L492 WeakPolarHBondContact O-CG 3.28Å; E488-L492 PolarHBondContact O-N 3.17Å; E489-L492 PolarHBondContact O-N 3.17Å; E489-L492 VanDerWaalsContact O-N 3.15Å; A490-L492 VanDerWaalsContact C-N 3.3Å; A490-L492 PolarHBondContact O-N 2.72Å; L492-H495 WeakPolarHBondContact O-CB 3.42Å; L492-H495 PolarHBondContact O-N 2.65Å
493	R	85.4	Confident	79.5	Confident	73 Å²	73	65 Å²	65	28%	0.275	36%	0.364	S	S	.	.	H	α-helix	trans	-72.9	-31.2	178.5	-64.8	-165.9	-167.2	-156.5	4.1	113.9	E489 A490 H495 R692 N695 M696	E489-R493 WeakPolarHBondContact O-CG 3.4Å; E489-R493 PolarHBondContact O-N 3.3Å; E489-R493 IonicContact OE1-CZ 3.58Å; E489-R493 IonicContact OE1-NE 3.58Å; E489-R493 PolarHBondContact OE1-NE 2.97Å; E489-R493 IonicContact OE1-NH2 2.67Å; E489-R493 PolarHBondContact OE1-NH2 3.13Å; A490-R493 PolarHBondContact O-N 3.3Å; R493-H495 VanDerWaalsContact C-N 3.28Å; R493-R692 WeakPolarHBondContact CD-O 3.48Å; R493-R692 PolarHBondContact O-NH1 2.91Å; R493-N695 PolarHBondContact NH1-ND2 2.89Å; R493-M696 HydrophobicContact CG-CE 4.15Å
494	L	87.2	Confident	80.7	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-76.4	-13.6	174.2	-71.6	171.4	0	0	0	113	A490 V496 R692 L693 F699 L722 C725	A490-L494 VanDerWaalsContact O-CB 3.31Å; A490-L494 WeakPolarHBondContact O-CB 3.43Å; A490-L494 VanDerWaalsContact O-CG 3.27Å; A490-L494 WeakPolarHBondContact O-CG 3.26Å; A490-L494 PolarHBondContact O-N 2.97Å; L494-V496 PolarHBondContact O-N 3.28Å; L494-R692 HydrophobicContact CD2-CB 4.35Å; L494-L693 HydrophobicContact CD1-CD2 4.17Å; L494-L693 HydrophobicContact CD2-CD2 4.13Å; L494-L693 HydrophobicContact CD2-CG 4.19Å; L494-L693 HydrophobicContact CG-CD2 4.04Å; L494-F699 HydrophobicContact CD1-CE2 3.65Å; L494-F699 HydrophobicContact CD1-CZ 3.59Å; L494-L722 HydrophobicContact CD2-CD2 3.7Å; L494-C725 HydrophobicContact CD1-CB 3.88Å; L494-C725 HydrophobicContact CD2-CB 4.3Å
495	H	87.9	Confident	81.8	Confident	87 Å²	87	59.2 Å²	59.2	40%	0.403	32%	0.319	S	S	.	.	S	Bend	trans	-60.7	135.8	179.2	-174	-111.1	0	0	0	111.8	R491 L492 R493 S497 A498 R692	R491-H495 PolarHBondContact O-N 2.98Å; L492-H495 WeakPolarHBondContact O-CB 3.42Å; L492-H495 PolarHBondContact O-N 2.65Å; R493-H495 VanDerWaalsContact C-N 3.28Å; H495-S497 PolarHBondContact CE1-OG 3.08Å; H495-S497 PolarHBondContact ND1-N 3.14Å; H495-S497 PolarHBondContact O-N 2.81Å; H495-S497 VanDerWaalsContact O-N 3.16Å; H495-A498 WeakPolarHBondContact O-CB 3.34Å; H495-A498 PolarHBondContact O-N 3.22Å; H495-R692 PolarHBondContact O-NH1 2.92Å
496	V	84.3	Confident	82.6	Confident	47 Å²	47	57.1 Å²	57.1	29%	0.285	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.5	-172.2	-179.6	0	0	0	0	112.9	L494 R719 L722	L494-V496 PolarHBondContact O-N 3.28Å; V496-R719 HydrophobicContact CG1-CG 3.96Å; V496-R719 HydrophobicContact CG2-CB 4.48Å; V496-L722 HydrophobicContact CG2-CB 4.44Å
497	S	81.4	Confident	83.1	Confident	96 Å²	96	57 Å²	57	67%	0.671	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-10.9	176.7	-47	0	0	0	0	114.7	H495 I499	H495-S497 PolarHBondContact CE1-OG 3.08Å; H495-S497 PolarHBondContact ND1-N 3.14Å; H495-S497 PolarHBondContact O-N 2.81Å; H495-S497 VanDerWaalsContact O-N 3.16Å; S497-I499 PolarHBondContact O-N 2.81Å
498	A	78.9	Confident	83.6	Confident	36 Å²	36	64.5 Å²	64.5	30%	0.298	34%	0.335	S	S	.	.			trans	-71.2	125.5	162.8	0	0	0	0	0	107.2	H495 R692	H495-A498 WeakPolarHBondContact O-CB 3.34Å; H495-A498 PolarHBondContact O-N 3.22Å; A498-R692 PolarHBondContact O-NH1 3.06Å; A498-R692 PolarHBondContact O-NH2 3.17Å
499	I	74.1	Confident	84.1	Confident	90 Å²	90	63.2 Å²	63.2	46%	0.462	33%	0.329	S	S	.	.			trans	-117.2	124.2	175.7	-58.9	176.8	0	0	0	106.1	S497 L503	S497-I499 PolarHBondContact O-N 2.81Å; I499-L503 HydrophobicContact CG2-CD2 4.45Å
500	P	74.4	Confident	84.6	Confident	29 Å²	29	62.5 Å²	62.5	19%	0.188	33%	0.325	C	S	.	.			trans	-70.3	160.9	176.6	32.9	-37.1	0	0	0	110.6	S502 L503	P500-S502 WeakPolarHBondContact CB-O 3.24Å; P500-S502 WeakPolarHBondContact CG-O 3.44Å; P500-S502 PolarHBondContact O-N 2.84Å; P500-L503 HydrophobicContact CG-CD2 3.96Å
501	E	69.6	Low	85	Confident	187 Å²	187	66.9 Å²	66.9	87%	0.874	35%	0.346	S	S	*	.	S	Bend	trans	-65.3	-24.3	176.1	-63.6	171.7	168.2	0	0	112.5
502	S	77	Confident	85.4	Confident	85 Å²	85	69 Å²	69	59%	0.594	36%	0.361	S	S	*	.	S	Bend	trans	-132.4	136.7	169.2	59.1	0	0	0	0	111	P500 P504	P500-S502 WeakPolarHBondContact CB-O 3.24Å; P500-S502 WeakPolarHBondContact CG-O 3.44Å; P500-S502 PolarHBondContact O-N 2.84Å; S502-P504 VanDerWaalsContact O-CD 3.29Å; S502-P504 WeakPolarHBondContact O-CD 3.13Å
503	L	82.8	Confident	85.8	Confident	39 Å²	39	64.2 Å²	64.2	20%	0.204	34%	0.336	C	S	.	.			trans	-95	103.9	179.6	-71.6	165.7	0	0	0	109.6	I499 P500 A541 E545	I499-L503 HydrophobicContact CG2-CD2 4.45Å; P500-L503 HydrophobicContact CG-CD2 3.96Å; L503-A541 HydrophobicContact CD1-CB 3.65Å; L503-A541 WeakPolarHBondContact CD1-O 3.48Å; L503-A541 HydrophobicContact CD2-CB 4.36Å; L503-E545 HydrophobicContact CD1-CB 4.25Å
504	P	83.3	Confident	86.3	Confident	18 Å²	18	62.3 Å²	62.3	12%	0.117	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	157.2	-178.3	30.1	-36.3	0	0	0	111.7	S502 R506 E507 Q687 I688	S502-P504 VanDerWaalsContact O-CD 3.29Å; S502-P504 WeakPolarHBondContact O-CD 3.13Å; P504-R506 VanDerWaalsContact C-N 3.29Å; P504-R506 PolarHBondContact O-N 3.2Å; P504-E507 WeakPolarHBondContact CA-OE1 3.05Å; P504-Q687 HydrophobicContact CB-CG 4.38Å; P504-I688 HydrophobicContact CG-CG1 4.12Å
505	C	86.9	Confident	86.6	Confident	8 Å²	8	65.3 Å²	65.3	5%	0.054	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	22.1	175.6	-52.2	0	0	0	0	115.6	E507 Y680 Q684 Q687	C505-E507 VanDerWaalsContact C-OE2 3.25Å; C505-E507 WeakPolarHBondContact CA-OE2 3.29Å; C505-E507 PolarHBondContact N-OE1 2.66Å; C505-E507 PolarHBondContact N-OE2 3.38Å; C505-Y680 HydrophobicContact CB-CE1 4.36Å; C505-Q684 HydrophobicContact CB-CB 3.68Å; C505-Q684 HydrophobicContact CB-CG 3.65Å; C505-Q684 PolarHBondContact O-NE2 3.19Å; C505-Q687 PolarHBondContact SG-OE1 2.9Å; C505-Q687 VanDerWaalsContact SG-OE1 3.37Å
506	R	92.4	Very high	86.9	Confident	5 Å²	5	62.7 Å²	62.7	2%	0.019	33%	0.333	C	S	.	.			trans	-138.9	24.5	172.1	-67.7	-62.2	-176.7	-157	-11.8	112.3	P504 E508 E509 F510 T537 T542 F677 Q678 Y680	P504-R506 VanDerWaalsContact C-N 3.29Å; P504-R506 PolarHBondContact O-N 3.2Å; R506-E508 PolarHBondContact O-N 3.45Å; R506-E509 WeakPolarHBondContact CA-OE2 3.48Å; R506-E509 VanDerWaalsContact CD-CD 3.48Å; R506-E509 VanDerWaalsContact CD-OE1 3.31Å; R506-E509 WeakPolarHBondContact CD-OE1 3.31Å; R506-E509 VanDerWaalsContact CD-OE2 3.3Å; R506-E509 WeakPolarHBondContact CD-OE2 3.46Å; R506-E509 IonicContact CZ-OE1 3.35Å; R506-E509 IonicContact NE-OE1 3.29Å; R506-E509 IonicContact NH1-OE1 3.89Å; R506-E509 PolarHBondContact NH1-OE1 3.47Å; R506-E509 PolarHBondContact O-N 3.27Å; R506-F510 VanDerWaalsContact O-CB 3.24Å; R506-F510 WeakPolarHBondContact O-CB 3.22Å; R506-F510 PolarHBondContact O-N 3.18Å; R506-T537 PolarHBondContact NE-O 3.02Å; R506-T537 PolarHBondContact NH2-O 2.79Å; R506-T537 VanDerWaalsContact NH2-O 3.14Å; R506-T542 HydrophobicContact CB-CG2 4.42Å; R506-F677 HydrophobicContact CG-CE1 4.24Å; R506-Q678 PolarHBondContact NH1-O 3.25Å; R506-Q678 PolarHBondContact NH2-O 3.43Å; R506-Y680 HydrophobicContact CG-CE1 4.1Å; R506-Y680 VanDerWaalsContact NE-CE1 3.33Å; R506-Y680 VanDerWaalsContact NH2-CE1 3.3Å
507	E	91.6	Very high	87.4	Confident	104 Å²	104	60.6 Å²	60.6	49%	0.486	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-38.4	-174.9	-59.8	82.3	175.3	0	0	111.5	P504 C505 Q511	P504-E507 WeakPolarHBondContact CA-OE1 3.05Å; C505-E507 VanDerWaalsContact C-OE2 3.25Å; C505-E507 WeakPolarHBondContact CA-OE2 3.29Å; C505-E507 PolarHBondContact N-OE1 2.66Å; C505-E507 PolarHBondContact N-OE2 3.38Å; E507-Q511 PolarHBondContact O-N 2.91Å; E507-Q511 VanDerWaalsContact O-N 3.08Å
508	E	92.3	Very high	88	Confident	164 Å²	164	58.4 Å²	58.4	77%	0.766	30%	0.299	S	S	*	.	H	α-helix	trans	-63.5	-51.1	173.6	-65.3	179.3	-172.9	0	0	111.1	R506 F510 Q511 D512	R506-E508 PolarHBondContact O-N 3.45Å; E508-F510 PolarHBondContact O-N 3.29Å; E508-Q511 PolarHBondContact O-N 3.39Å; E508-D512 PolarHBondContact O-N 3.07Å; E508-D512 VanDerWaalsContact O-N 3.09Å
509	E	94.1	Very high	88.7	Confident	33 Å²	33	59.6 Å²	59.6	15%	0.154	31%	0.305	C	S	.	.	H	α-helix	trans	-67.8	-33.7	179.3	-61	106.3	133.8	0	0	113	R506 I513 M675 F677	R506-E509 WeakPolarHBondContact CA-OE2 3.48Å; R506-E509 VanDerWaalsContact CD-CD 3.48Å; R506-E509 VanDerWaalsContact CD-OE1 3.31Å; R506-E509 WeakPolarHBondContact CD-OE1 3.31Å; R506-E509 VanDerWaalsContact CD-OE2 3.3Å; R506-E509 WeakPolarHBondContact CD-OE2 3.46Å; R506-E509 IonicContact CZ-OE1 3.35Å; R506-E509 IonicContact NE-OE1 3.29Å; R506-E509 IonicContact NH1-OE1 3.89Å; R506-E509 PolarHBondContact NH1-OE1 3.47Å; R506-E509 PolarHBondContact O-N 3.27Å; E509-I513 VanDerWaalsContact O-CD1 3.26Å; E509-I513 WeakPolarHBondContact O-CD1 3.39Å; E509-I513 WeakPolarHBondContact O-CG1 3.45Å; E509-I513 PolarHBondContact O-N 2.97Å; E509-I513 VanDerWaalsContact O-N 3.09Å; E509-M675 HydrophobicContact CB-CE 3.8Å; E509-M675 HydrophobicContact CB-SD 3.98Å; E509-M675 HydrophobicContact CG-CE 4.09Å; E509-M675 HydrophobicContact CG-SD 4.26Å; E509-F677 HydrophobicContact CB-CE1 4.18Å; E509-F677 HydrophobicContact CB-CE2 4.25Å; E509-F677 HydrophobicContact CB-CZ 3.81Å; E509-F677 HydrophobicContact CG-CE1 4.5Å; E509-F677 HydrophobicContact CG-CZ 4.36Å
510	F	94.8	Very high	89.5	Confident	51 Å²	51	57.2 Å²	57.2	22%	0.224	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-50.6	172.3	176.4	-80.8	0	0	0	110.6	R506 E508 D512 I513 Y514 T542 E545 V546 C549	R506-F510 VanDerWaalsContact O-CB 3.24Å; R506-F510 WeakPolarHBondContact O-CB 3.22Å; R506-F510 PolarHBondContact O-N 3.18Å; E508-F510 PolarHBondContact O-N 3.29Å; F510-D512 PolarHBondContact O-N 3.06Å; F510-I513 PolarHBondContact O-N 2.99Å; F510-Y514 VanDerWaalsContact O-CB 3.31Å; F510-Y514 WeakPolarHBondContact O-CB 3.49Å; F510-Y514 PolarHBondContact O-N 2.75Å; F510-T542 HydrophobicContact CB-CG2 4.04Å; F510-T542 HydrophobicContact CD2-CG2 4.44Å; F510-E545 HydrophobicContact CE2-CB 4.17Å; F510-E545 HydrophobicContact CE2-CG 4.29Å; F510-V546 HydrophobicContact CB-CG2 4.41Å; F510-V546 HydrophobicContact CD1-CG2 4.32Å; F510-V546 HydrophobicContact CD2-CB 4.48Å; F510-V546 HydrophobicContact CD2-CG2 3.34Å; F510-V546 HydrophobicContact CE1-CG2 4.43Å; F510-V546 HydrophobicContact CE2-CB 4.23Å; F510-V546 HydrophobicContact CE2-CG2 3.5Å; F510-V546 HydrophobicContact CG-CG2 3.77Å; F510-V546 HydrophobicContact CZ-CG2 4.05Å; F510-C549 HydrophobicContact CZ-CB 4.28Å
511	Q	94.4	Very high	90.4	Very high	93 Å²	93	56 Å²	56	44%	0.435	28%	0.284	S	S	.	.	H	α-helix	trans	-65.5	-40.8	-177	-165.4	66.5	56.6	0	0	111.9	E507 E508 I513 Y514 N515	E507-Q511 PolarHBondContact O-N 2.91Å; E507-Q511 VanDerWaalsContact O-N 3.08Å; E508-Q511 PolarHBondContact O-N 3.39Å; Q511-I513 PolarHBondContact O-N 2.83Å; Q511-Y514 PolarHBondContact O-N 3.09Å; Q511-N515 PolarHBondContact NE2-OD1 3.5Å; Q511-N515 VanDerWaalsContact O-CB 3.25Å; Q511-N515 WeakPolarHBondContact O-CB 3.36Å; Q511-N515 PolarHBondContact O-N 3Å; Q511-N515 PolarHBondContact O-ND2 3.41Å; Q511-N515 PolarHBondContact O-OD1 3.28Å
512	D	94.1	Very high	91.4	Very high	103 Å²	103	52.2 Å²	52.2	55%	0.551	27%	0.268	S	S	*	.	H	α-helix	trans	-61.1	-43.2	175.3	-93.6	-5.1	0	0	0	112.4	E508 F510 F516 M675	E508-D512 PolarHBondContact O-N 3.07Å; E508-D512 VanDerWaalsContact O-N 3.09Å; F510-D512 PolarHBondContact O-N 3.06Å; D512-F516 WeakPolarHBondContact O-CB 3.46Å; D512-F516 PolarHBondContact O-N 3.31Å; D512-F516 VanDerWaalsContact O-N 3.11Å; D512-M675 HydrophobicContact CB-CE 3.37Å
513	I	95.1	Very high	92	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.6	-43.7	176.9	-59.9	158.3	0	0	0	110.6	E509 F510 Q511 F516 V517 M529 I531 T542 V543 V546 L649 M675 F677	E509-I513 VanDerWaalsContact O-CD1 3.26Å; E509-I513 WeakPolarHBondContact O-CD1 3.39Å; E509-I513 WeakPolarHBondContact O-CG1 3.45Å; E509-I513 PolarHBondContact O-N 2.97Å; E509-I513 VanDerWaalsContact O-N 3.09Å; F510-I513 PolarHBondContact O-N 2.99Å; Q511-I513 PolarHBondContact O-N 2.83Å; I513-F516 PolarHBondContact O-N 3.29Å; I513-V517 WeakPolarHBondContact O-CG2 3.49Å; I513-V517 PolarHBondContact O-N 3.49Å; I513-V517 VanDerWaalsContact O-N 3.12Å; I513-M529 HydrophobicContact CB-CE 4.07Å; I513-M529 HydrophobicContact CG1-CE 3.7Å; I513-M529 HydrophobicContact CG2-CE 3.98Å; I513-I531 HydrophobicContact CD1-CD1 4.21Å; I513-I531 HydrophobicContact CG1-CD1 4.3Å; I513-T542 HydrophobicContact CD1-CG2 4.09Å; I513-V543 HydrophobicContact CD1-CG2 4.12Å; I513-V546 HydrophobicContact CB-CG2 4.16Å; I513-V546 HydrophobicContact CG2-CB 4.3Å; I513-V546 HydrophobicContact CG2-CG1 3.96Å; I513-V546 HydrophobicContact CG2-CG2 4.2Å; I513-L649 HydrophobicContact CG2-CD1 4.35Å; I513-M675 HydrophobicContact CD1-SD 3.83Å; I513-M675 HydrophobicContact CG1-CE 4Å; I513-M675 HydrophobicContact CG1-SD 3.66Å; I513-F677 HydrophobicContact CD1-CE2 4.22Å; I513-F677 HydrophobicContact CD1-CZ 4.02Å
514	Y	95.3	Very high	92.2	Very high	33 Å²	33	52.3 Å²	52.3	13%	0.129	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-56.8	178.2	-177.3	-83.5	0	0	0	110.7	F510 Q511 F516 V517 E518 V546 C549 L550	F510-Y514 VanDerWaalsContact O-CB 3.31Å; F510-Y514 WeakPolarHBondContact O-CB 3.49Å; F510-Y514 PolarHBondContact O-N 2.75Å; Q511-Y514 PolarHBondContact O-N 3.09Å; Y514-F516 VanDerWaalsContact C-N 3.27Å; Y514-F516 PolarHBondContact O-N 3.37Å; Y514-V517 PolarHBondContact O-N 3.09Å; Y514-V517 VanDerWaalsContact O-N 3.15Å; Y514-E518 HydrophobicContact CE1-CB 4.23Å; Y514-E518 VanDerWaalsContact CE1-CD 3.41Å; Y514-E518 HydrophobicContact CE1-CG 4.4Å; Y514-E518 WeakPolarHBondContact CE1-OE1 3.15Å; Y514-E518 WeakPolarHBondContact CE1-OE2 3.18Å; Y514-E518 VanDerWaalsContact O-CB 3.26Å; Y514-E518 WeakPolarHBondContact O-CB 3.42Å; Y514-E518 PolarHBondContact O-N 2.88Å; Y514-E518 PolarHBondContact OH-OE1 2.85Å; Y514-V546 HydrophobicContact CD2-CG1 4.18Å; Y514-C549 HydrophobicContact CE2-CB 4.28Å; Y514-L550 HydrophobicContact CD2-CD2 3.87Å; Y514-L550 HydrophobicContact CD2-CG 3.9Å; Y514-L550 HydrophobicContact CE2-CD2 3.43Å; Y514-L550 VanDerWaalsContact CE2-CD2 3.43Å; Y514-L550 HydrophobicContact CE2-CG 3.73Å
515	N	94.9	Very high	92.5	Very high	63 Å²	63	54.2 Å²	54.2	34%	0.337	28%	0.279	S	S	.	.	H	α-helix	trans	-54	-41.3	178.6	-69	-8.5	0	0	0	112.4	Q511 S519	Q511-N515 PolarHBondContact NE2-OD1 3.5Å; Q511-N515 VanDerWaalsContact O-CB 3.25Å; Q511-N515 WeakPolarHBondContact O-CB 3.36Å; Q511-N515 PolarHBondContact O-N 3Å; Q511-N515 PolarHBondContact O-ND2 3.41Å; Q511-N515 PolarHBondContact O-OD1 3.28Å; N515-S519 VanDerWaalsContact O-CB 3.24Å; N515-S519 WeakPolarHBondContact O-CB 3.31Å; N515-S519 PolarHBondContact O-N 2.83Å; N515-S519 PolarHBondContact O-OG 3.03Å
516	F	93.6	Very high	92.6	Very high	33 Å²	33	54.8 Å²	54.8	15%	0.145	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-48.2	178.9	172.2	-99.1	0	0	0	112.3	D512 I513 Y514 K520 M529 I647 L649 T673	D512-F516 WeakPolarHBondContact O-CB 3.46Å; D512-F516 PolarHBondContact O-N 3.31Å; D512-F516 VanDerWaalsContact O-N 3.11Å; I513-F516 PolarHBondContact O-N 3.29Å; Y514-F516 VanDerWaalsContact C-N 3.27Å; Y514-F516 PolarHBondContact O-N 3.37Å; F516-K520 HydrophobicContact CD2-CG 4.45Å; F516-K520 HydrophobicContact CE1-CG 4.48Å; F516-K520 HydrophobicContact CE2-CD 4.44Å; F516-K520 HydrophobicContact CE2-CG 4.02Å; F516-K520 HydrophobicContact CZ-CG 4.04Å; F516-K520 VanDerWaalsContact O-CG 3.25Å; F516-K520 WeakPolarHBondContact O-CG 3.25Å; F516-K520 PolarHBondContact O-N 2.85Å; F516-M529 HydrophobicContact CB-SD 4.24Å; F516-M529 HydrophobicContact CD1-CB 3.92Å; F516-M529 HydrophobicContact CD1-CE 4.09Å; F516-M529 HydrophobicContact CD1-SD 4.02Å; F516-M529 HydrophobicContact CE1-CB 3.58Å; F516-M529 HydrophobicContact CG-CE 4.48Å; F516-M529 HydrophobicContact CG-SD 3.99Å; F516-M529 HydrophobicContact CZ-CB 3.91Å; F516-I647 HydrophobicContact CE1-CG2 4.13Å; F516-L649 HydrophobicContact CD1-CD2 4.29Å; F516-L649 HydrophobicContact CE1-CD2 4.28Å; F516-T673 HydrophobicContact CD2-CG2 4.23Å; F516-T673 HydrophobicContact CE2-CG2 3.73Å
517	V	94	Very high	92.4	Very high	2 Å²	2	55 Å²	55	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-70.7	-43.9	-178.4	179.3	0	0	0	0	110.7	I513 Y514 K520 L521 L550 L615 I647 L649	I513-V517 WeakPolarHBondContact O-CG2 3.49Å; I513-V517 PolarHBondContact O-N 3.49Å; I513-V517 VanDerWaalsContact O-N 3.12Å; Y514-V517 PolarHBondContact O-N 3.09Å; Y514-V517 VanDerWaalsContact O-N 3.15Å; V517-K520 PolarHBondContact O-N 3.35Å; V517-L521 WeakPolarHBondContact O-CB 3.42Å; V517-L521 PolarHBondContact O-N 3.2Å; V517-L550 HydrophobicContact CB-CD1 3.79Å; V517-L550 HydrophobicContact CG1-CD1 3.57Å; V517-L615 HydrophobicContact CG1-CD1 3.96Å; V517-L615 HydrophobicContact CG1-CD2 4Å; V517-L615 HydrophobicContact CG2-CD1 4.28Å; V517-I647 HydrophobicContact CG1-CD1 4.35Å; V517-I647 HydrophobicContact CG2-CG2 4.47Å; V517-L649 HydrophobicContact CG2-CD1 4.07Å; V517-L649 HydrophobicContact CG2-CD2 3.96Å; V517-L649 HydrophobicContact CG2-CG 4.4Å
518	E	94	Very high	92.3	Very high	51 Å²	51	50.5 Å²	50.5	24%	0.238	27%	0.27	C	S	.	.	H	α-helix	trans	-55.3	-53.5	175.5	178.9	174.3	-108	0	0	111.4	Y514 K520 L521 I522 L550 L559	Y514-E518 HydrophobicContact CE1-CB 4.23Å; Y514-E518 VanDerWaalsContact CE1-CD 3.41Å; Y514-E518 HydrophobicContact CE1-CG 4.4Å; Y514-E518 WeakPolarHBondContact CE1-OE1 3.15Å; Y514-E518 WeakPolarHBondContact CE1-OE2 3.18Å; Y514-E518 VanDerWaalsContact O-CB 3.26Å; Y514-E518 WeakPolarHBondContact O-CB 3.42Å; Y514-E518 PolarHBondContact O-N 2.88Å; Y514-E518 PolarHBondContact OH-OE1 2.85Å; E518-K520 VanDerWaalsContact C-N 3.33Å; E518-K520 PolarHBondContact O-N 3.3Å; E518-L521 WeakPolarHBondContact O-CB 3.3Å; E518-L521 PolarHBondContact O-N 2.78Å; E518-L521 VanDerWaalsContact O-N 3.08Å; E518-I522 HydrophobicContact CG-CD1 3.72Å; E518-I522 HydrophobicContact CG-CG1 4.46Å; E518-I522 WeakPolarHBondContact O-CG1 3.26Å; E518-I522 PolarHBondContact O-N 2.83Å; E518-L550 HydrophobicContact CB-CD2 4.31Å; E518-L559 HydrophobicContact CG-CD1 4.45Å; E518-L559 HydrophobicContact CG-CD2 3.93Å
519	S	93.3	Very high	92.3	Very high	60 Å²	60	43.2 Å²	43.2	42%	0.42	24%	0.237	S	C	.	.	H	α-helix	trans	-56.8	-45.3	178.7	-60.5	0	0	0	0	112.1	N515 L521 D523	N515-S519 VanDerWaalsContact O-CB 3.24Å; N515-S519 WeakPolarHBondContact O-CB 3.31Å; N515-S519 PolarHBondContact O-N 2.83Å; N515-S519 PolarHBondContact O-OG 3.03Å; S519-L521 VanDerWaalsContact C-N 3.33Å; S519-L521 PolarHBondContact O-N 2.91Å; S519-D523 VanDerWaalsContact O-CB 3.24Å; S519-D523 WeakPolarHBondContact O-CB 3.41Å; S519-D523 PolarHBondContact O-N 2.97Å
520	K	91.8	Very high	92.1	Very high	40 Å²	40	41.7 Å²	41.7	17%	0.174	23%	0.229	C	C	.	.	H	α-helix	trans	-67.6	-33	178.1	-68.5	-76.5	113.6	-81.4	0	112.7	F516 V517 E518 D523 G524 T525 I647	F516-K520 HydrophobicContact CD2-CG 4.45Å; F516-K520 HydrophobicContact CE1-CG 4.48Å; F516-K520 HydrophobicContact CE2-CD 4.44Å; F516-K520 HydrophobicContact CE2-CG 4.02Å; F516-K520 HydrophobicContact CZ-CG 4.04Å; F516-K520 VanDerWaalsContact O-CG 3.25Å; F516-K520 WeakPolarHBondContact O-CG 3.25Å; F516-K520 PolarHBondContact O-N 2.85Å; V517-K520 PolarHBondContact O-N 3.35Å; E518-K520 VanDerWaalsContact C-N 3.33Å; E518-K520 PolarHBondContact O-N 3.3Å; K520-D523 IonicContact NZ-OD2 3.42Å; K520-D523 PolarHBondContact NZ-OD2 3.43Å; K520-G524 PolarHBondContact O-N 3.33Å; K520-G524 VanDerWaalsContact O-N 3.15Å; K520-T525 PolarHBondContact NZ-OG1 2.75Å; K520-T525 PolarHBondContact O-N 2.9Å; K520-I647 HydrophobicContact CB-CD1 3.63Å; K520-I647 HydrophobicContact CB-CG1 3.95Å
521	L	92.5	Very high	92.1	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-71.9	-44.8	178.5	-179.4	57.1	0	0	0	111.9	V517 E518 S519 G524 L559 P560 F562 I647	V517-L521 WeakPolarHBondContact O-CB 3.42Å; V517-L521 PolarHBondContact O-N 3.2Å; E518-L521 WeakPolarHBondContact O-CB 3.3Å; E518-L521 PolarHBondContact O-N 2.78Å; E518-L521 VanDerWaalsContact O-N 3.08Å; S519-L521 VanDerWaalsContact C-N 3.33Å; S519-L521 PolarHBondContact O-N 2.91Å; L521-G524 PolarHBondContact O-N 2.88Å; L521-G524 VanDerWaalsContact O-N 3.16Å; L521-L559 HydrophobicContact CD2-CB 4.11Å; L521-L559 HydrophobicContact CD2-CD1 4.34Å; L521-P560 HydrophobicContact CD1-CG 4.1Å; L521-P560 WeakPolarHBondContact CD1-O 3.31Å; L521-P560 HydrophobicContact CG-CG 3.94Å; L521-F562 HydrophobicContact CD1-CB 3.92Å; L521-F562 HydrophobicContact CD1-CD1 4.32Å; L521-F562 HydrophobicContact CD1-CG 4.43Å; L521-F562 HydrophobicContact CD2-CD1 3.55Å; L521-F562 HydrophobicContact CD2-CE1 3.97Å; L521-F562 HydrophobicContact CD2-CG 4.32Å; L521-I647 HydrophobicContact CB-CD1 4.31Å
522	I	91.9	Very high	92	Very high	108 Å²	108	35.2 Å²	35.2	55%	0.554	20%	0.2	S	C	*	.	H	α-helix	trans	-65.3	-47.3	174.8	-65.1	170.1	0	0	0	110.9	E518 G524 L559	E518-I522 HydrophobicContact CG-CD1 3.72Å; E518-I522 HydrophobicContact CG-CG1 4.46Å; E518-I522 WeakPolarHBondContact O-CG1 3.26Å; E518-I522 PolarHBondContact O-N 2.83Å; I522-G524 PolarHBondContact O-N 3.19Å; I522-G524 VanDerWaalsContact O-N 3.08Å; I522-L559 HydrophobicContact CD1-CD2 3.92Å; I522-L559 HydrophobicContact CG1-CD2 3.9Å
523	D	89.8	Confident	91.9	Very high	101 Å²	101	30.3 Å²	30.3	54%	0.54	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.2	173.1	-76.7	-22.3	0	0	0	112.7	S519 K520 T525	S519-D523 VanDerWaalsContact O-CB 3.24Å; S519-D523 WeakPolarHBondContact O-CB 3.41Å; S519-D523 PolarHBondContact O-N 2.97Å; K520-D523 IonicContact NZ-OD2 3.42Å; K520-D523 PolarHBondContact NZ-OD2 3.43Å; D523-T525 HydrophobicContact CB-CG2 3.97Å; D523-T525 WeakPolarHBondContact CB-OG1 3.44Å; D523-T525 PolarHBondContact O-N 3.46Å
524	G	87.1	Confident	91.7	Very high	24 Å²	24	32.8 Å²	32.8	25%	0.247	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	26.8	-169.2	0	0	0	0	0	113.3	K520 L521 I522 K645	K520-G524 PolarHBondContact O-N 3.33Å; K520-G524 VanDerWaalsContact O-N 3.15Å; L521-G524 PolarHBondContact O-N 2.88Å; L521-G524 VanDerWaalsContact O-N 3.16Å; I522-G524 PolarHBondContact O-N 3.19Å; I522-G524 VanDerWaalsContact O-N 3.08Å; G524-K645 WeakPolarHBondContact O-CG 3.38Å
525	T	88.7	Confident	91.6	Very high	59 Å²	59	34.7 Å²	34.7	36%	0.362	21%	0.206	S	C	.	.			trans	-105.8	148.6	-173.7	49	0	0	0	0	112.8	K520 D523	K520-T525 PolarHBondContact NZ-OG1 2.75Å; K520-T525 PolarHBondContact O-N 2.9Å; D523-T525 HydrophobicContact CB-CG2 3.97Å; D523-T525 WeakPolarHBondContact CB-OG1 3.44Å; D523-T525 PolarHBondContact O-N 3.46Å
526	G	88.1	Confident	91.4	Very high	20 Å²	20	32.2 Å²	32.2	21%	0.206	20%	0.195	C	C	.	.			trans	-65.9	151.3	170.2	0	0	0	0	0	112.4	S644 L646	G526-S644 VanDerWaalsContact CA-O 3.25Å; G526-S644 WeakPolarHBondContact CA-O 3.44Å; G526-S644 PolarHBondContact N-O 3.49Å; G526-S644 VanDerWaalsContact N-O 3.14Å; G526-L646 CarbonylContact C-O 3.56Å; G526-L646 WeakPolarHBondContact CA-O 3.33Å
527	G	88.9	Confident	91.3	Very high	10 Å²	10	30.7 Å²	30.7	10%	0.103	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	160.6	178.8	0	0	0	0	0	112.4	P639 L646 I647 I648	G527-P639 WeakPolarHBondContact O-CB 3.39Å; G527-L646 PolarHBondContact N-O 2.84Å; G527-I647 CarbonylContact O-C 3.45Å; G527-I647 WeakPolarHBondContact O-CA 3.25Å; G527-I648 PolarHBondContact O-N 3.31Å
528	C	89.4	Confident	91.2	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.061	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.2	166.4	57.9	0	0	0	0	109.9	F636 P639 I648 L670 T673	C528-F636 HydrophobicContact CB-CD1 3.98Å; C528-F636 HydrophobicContact CB-CE1 4.3Å; C528-P639 HydrophobicContact CB-CG 4.44Å; C528-I648 CarbonylContact C-O 3.59Å; C528-I648 WeakPolarHBondContact CA-O 3.39Å; C528-I648 HydrophobicContact CB-CB 4.18Å; C528-L670 HydrophobicContact CB-CD2 4.38Å; C528-T673 WeakPolarHBondContact O-CB 3.41Å; C528-T673 PolarHBondContact O-OG1 2.72Å
529	M	91.7	Very high	91.2	Very high	11 Å²	11	29.7 Å²	29.7	5%	0.054	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.1	171.8	-174.1	169.3	69.7	0	0	109.7	I513 F516 I531 I648 L649 A650 T673	I513-M529 HydrophobicContact CB-CE 4.07Å; I513-M529 HydrophobicContact CG1-CE 3.7Å; I513-M529 HydrophobicContact CG2-CE 3.98Å; F516-M529 HydrophobicContact CB-SD 4.24Å; F516-M529 HydrophobicContact CD1-CB 3.92Å; F516-M529 HydrophobicContact CD1-CE 4.09Å; F516-M529 HydrophobicContact CD1-SD 4.02Å; F516-M529 HydrophobicContact CE1-CB 3.58Å; F516-M529 HydrophobicContact CG-CE 4.48Å; F516-M529 HydrophobicContact CG-SD 3.99Å; F516-M529 HydrophobicContact CZ-CB 3.91Å; M529-I531 HydrophobicContact CE-CD1 4Å; M529-I531 HydrophobicContact CE-CG1 4.08Å; M529-I648 PolarHBondContact N-O 2.83Å; M529-L649 HydrophobicContact CB-CD2 4.23Å; M529-L649 HydrophobicContact CE-CD2 3.92Å; M529-A650 PolarHBondContact O-N 3.02Å; M529-T673 WeakPolarHBondContact CA-O 3.36Å; M529-T673 WeakPolarHBondContact CG-O 3.35Å
530	Y	91.6	Very high	91.1	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.4	-179.4	-176.4	-104.5	0	0	0	110.5	L621 A650 A652 T654 L657 P658 T673 R674 M675	Y530-L621 HydrophobicContact CD2-CD2 4.48Å; Y530-L621 HydrophobicContact CE2-CD2 4.21Å; Y530-A650 HydrophobicContact CD2-CB 4.18Å; Y530-A652 HydrophobicContact CE2-CB 3.89Å; Y530-A652 VanDerWaalsContact OH-CB 3.28Å; Y530-A652 WeakPolarHBondContact OH-CB 3.46Å; Y530-T654 PolarHBondContact OH-O 2.73Å; Y530-L657 HydrophobicContact CE2-CB 4.5Å; Y530-L657 HydrophobicContact CE2-CD2 4.34Å; Y530-L657 WeakPolarHBondContact OH-CB 3.31Å; Y530-P658 HydrophobicContact CD1-CG 3.74Å; Y530-P658 HydrophobicContact CD2-CG 4.16Å; Y530-P658 HydrophobicContact CE1-CG 3.56Å; Y530-P658 HydrophobicContact CE2-CG 4Å; Y530-P658 HydrophobicContact CG-CG 4.04Å; Y530-T673 PolarHBondContact N-O 2.73Å; Y530-R674 CarbonylContact O-C 3.56Å; Y530-R674 WeakPolarHBondContact O-CA 3.41Å; Y530-M675 PolarHBondContact O-N 2.69Å
531	I	94	Very high	91.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	116.5	-178.9	-57.8	175.3	0	0	0	108.3	I513 M529 K539 V543 A650 I651 A652 F677	I513-I531 HydrophobicContact CD1-CD1 4.21Å; I513-I531 HydrophobicContact CG1-CD1 4.3Å; M529-I531 HydrophobicContact CE-CD1 4Å; M529-I531 HydrophobicContact CE-CG1 4.08Å; I531-K539 HydrophobicContact CG2-CB 4.42Å; I531-K539 HydrophobicContact CG2-CD 4.34Å; I531-V543 HydrophobicContact CD1-CG2 3.45Å; I531-V543 VanDerWaalsContact CD1-CG2 3.45Å; I531-A650 PolarHBondContact N-O 3.01Å; I531-I651 HydrophobicContact CB-CG1 4.38Å; I531-I651 HydrophobicContact CD1-CG1 4.43Å; I531-I651 WeakPolarHBondContact O-CA 3.39Å; I531-A652 PolarHBondContact O-N 3.42Å; I531-F677 HydrophobicContact CG2-CD2 3.57Å; I531-F677 HydrophobicContact CG2-CE2 3.45Å; I531-F677 VanDerWaalsContact CG2-CE2 3.45Å
532	S	92.3	Very high	91.2	Very high	7 Å²	7	28.2 Å²	28.2	5%	0.049	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	165	-177.5	63.7	0	0	0	0	112	M675 S676 F677	S532-M675 PolarHBondContact N-O 3.45Å; S532-M675 PolarHBondContact OG-O 3.34Å; S532-S676 CarbonylContact O-C 3.5Å; S532-S676 WeakPolarHBondContact O-CA 3.3Å; S532-F677 PolarHBondContact O-N 3.25Å
533	G	92.2	Very high	91.3	Very high	0 Å²	0	23 Å²	23	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.6	162.7	175.4	0	0	0	0	0	111.8	K539 N653 F677	G533-K539 PolarHBondContact O-NZ 3.43Å; G533-N653 CarbonylContact O-C 3.52Å; G533-N653 WeakPolarHBondContact O-CA 3.4Å; G533-N653 VanDerWaalsContact O-O 3.1Å; G533-F677 VanDerWaalsContact CA-O 3.31Å; G533-F677 WeakPolarHBondContact CA-O 3.3Å
534	V	91.6	Very high	91.4	Very high	52 Å²	52	20.9 Å²	20.9	32%	0.315	14%	0.144	S	C	.	.			trans	-61.7	156.1	-179.4	-56.5	0	0	0	0	111.5	T537 K539 P679	V534-T537 HydrophobicContact CG2-CG2 3.48Å; V534-T537 VanDerWaalsContact CG2-CG2 3.48Å; V534-T537 PolarHBondContact O-OG1 2.66Å; V534-K539 PolarHBondContact O-NZ 3.37Å; V534-P679 HydrophobicContact CG2-CB 4.29Å; V534-P679 HydrophobicContact CG2-CG 3.94Å
535	P	91.8	Very high	91.6	Very high	74 Å²	74	20.6 Å²	20.6	48%	0.481	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	150.1	170.7	23.8	-35.2	0	0	0	111.3	T537	P535-T537 PolarHBondContact O-N 2.94Å
536	G	90.3	Very high	91.8	Very high	11 Å²	11	17.8 Å²	17.8	11%	0.113	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	0.5	177	0	0	0	0	0	116.8	Y680 D717 A718	G536-Y680 WeakPolarHBondContact O-CE2 3.48Å; G536-D717 VanDerWaalsContact CA-OD1 3.23Å; G536-D717 WeakPolarHBondContact CA-OD1 3.44Å; G536-A718 PolarHBondContact O-N 2.83Å
537	T	92.4	Very high	92.1	Very high	1 Å²	1	17 Å²	17	1%	0.006	11%	0.11	C	C	.	.	S	Bend	trans	-84.1	-0.7	-178.8	46.9	0	0	0	0	115.9	R506 V534 P535 K539 Q678 Y680	R506-T537 PolarHBondContact NE-O 3.02Å; R506-T537 PolarHBondContact NH2-O 2.79Å; R506-T537 VanDerWaalsContact NH2-O 3.14Å; V534-T537 HydrophobicContact CG2-CG2 3.48Å; V534-T537 VanDerWaalsContact CG2-CG2 3.48Å; V534-T537 PolarHBondContact O-OG1 2.66Å; P535-T537 PolarHBondContact O-N 2.94Å; T537-K539 WeakPolarHBondContact OG1-CG 3.35Å; T537-Q678 WeakPolarHBondContact CG2-O 3.29Å; T537-Y680 VanDerWaalsContact C-CE2 3.48Å; T537-Y680 WeakPolarHBondContact O-CE2 3.46Å; T537-Y680 VanDerWaalsContact O-CZ 3.3Å; T537-Y680 PolarHBondContact O-OH 3.18Å; T537-Y680 VanDerWaalsContact O-OH 3.13Å
538	G	91.6	Very high	92.2	Very high	21 Å²	21	21.7 Å²	21.7	22%	0.216	13%	0.125	C	C	.	.	S	Bend	trans	94.4	-3.3	177.8	0	0	0	0	0	116.2	T540 A541 T542	G538-T540 PolarHBondContact O-N 3.45Å; G538-A541 WeakPolarHBondContact O-CB 3.4Å; G538-A541 PolarHBondContact O-N 2.94Å; G538-T542 PolarHBondContact O-N 3.16Å; G538-T542 PolarHBondContact O-OG1 3.37Å; G538-T542 VanDerWaalsContact O-OG1 3.06Å
539	K	93.3	Very high	92.3	Very high	11 Å²	11	23.1 Å²	23.1	5%	0.048	13%	0.134	C	C	.	.	H	α-helix	trans	-36.2	-67.2	-175.7	-52.1	-167.7	-62.7	-90.7	0	114.6	I531 G533 V534 T537 A541 T542 V543 I651 A652 N653 F677	I531-K539 HydrophobicContact CG2-CB 4.42Å; I531-K539 HydrophobicContact CG2-CD 4.34Å; G533-K539 PolarHBondContact O-NZ 3.43Å; V534-K539 PolarHBondContact O-NZ 3.37Å; T537-K539 WeakPolarHBondContact OG1-CG 3.35Å; K539-A541 VanDerWaalsContact C-N 3.34Å; K539-A541 PolarHBondContact O-N 2.98Å; K539-T542 PolarHBondContact O-N 3.48Å; K539-V543 WeakPolarHBondContact O-CG2 3.26Å; K539-V543 PolarHBondContact O-N 3.41Å; K539-V543 VanDerWaalsContact O-N 3.07Å; K539-I651 HydrophobicContact CB-CG2 3.8Å; K539-I651 HydrophobicContact CD-CG2 3.93Å; K539-I651 VanDerWaalsContact CE-CG2 3.5Å; K539-I651 HydrophobicContact CG-CG2 4.5Å; K539-A652 WeakPolarHBondContact CE-O 3.33Å; K539-N653 PolarHBondContact NZ-OD1 2.91Å; K539-F677 HydrophobicContact CD-CB 4.46Å; K539-F677 HydrophobicContact CG-CB 3.97Å; K539-F677 HydrophobicContact CG-CD1 4.19Å; K539-F677 HydrophobicContact CG-CD2 4.05Å; K539-F677 HydrophobicContact CG-CG 3.81Å
540	T	92.7	Very high	92.4	Very high	40 Å²	40	22.6 Å²	22.6	25%	0.245	13%	0.132	C	C	.	.	H	α-helix	trans	-60.4	-41	-178.1	-41.1	0	0	0	0	112.1	G538 V543 H544 D619	G538-T540 PolarHBondContact O-N 3.45Å; T540-V543 PolarHBondContact O-N 2.73Å; T540-H544 WeakPolarHBondContact O-CB 3.38Å; T540-H544 PolarHBondContact O-CD2 3.24Å; T540-H544 PolarHBondContact O-N 3.32Å; T540-D619 WeakPolarHBondContact CB-OD2 3.2Å; T540-D619 WeakPolarHBondContact CG2-OD2 3.5Å; T540-D619 PolarHBondContact OG1-OD2 3.44Å
541	A	91.8	Very high	92.4	Very high	30 Å²	30	25.8 Å²	25.8	25%	0.248	15%	0.147	C	C	.	.	H	α-helix	trans	-65	-42.8	179.7	0	0	0	0	0	111.5	L503 G538 K539 H544 E545	L503-A541 HydrophobicContact CD1-CB 3.65Å; L503-A541 WeakPolarHBondContact CD1-O 3.48Å; L503-A541 HydrophobicContact CD2-CB 4.36Å; G538-A541 WeakPolarHBondContact O-CB 3.4Å; G538-A541 PolarHBondContact O-N 2.94Å; K539-A541 VanDerWaalsContact C-N 3.34Å; K539-A541 PolarHBondContact O-N 2.98Å; A541-H544 PolarHBondContact O-N 2.71Å; A541-E545 PolarHBondContact O-N 3.15Å
542	T	93.5	Very high	92.4	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-63.6	-44	177.7	-47.9	0	0	0	0	110.9	R506 F510 I513 G538 K539 E545 V546 F677	R506-T542 HydrophobicContact CB-CG2 4.42Å; F510-T542 HydrophobicContact CB-CG2 4.04Å; F510-T542 HydrophobicContact CD2-CG2 4.44Å; I513-T542 HydrophobicContact CD1-CG2 4.09Å; G538-T542 PolarHBondContact O-N 3.16Å; G538-T542 PolarHBondContact O-OG1 3.37Å; G538-T542 VanDerWaalsContact O-OG1 3.06Å; K539-T542 PolarHBondContact O-N 3.48Å; T542-E545 PolarHBondContact O-N 3.47Å; T542-V546 WeakPolarHBondContact O-CG2 3.11Å; T542-V546 PolarHBondContact O-N 3.5Å; T542-F677 HydrophobicContact CG2-CE1 4.37Å; T542-F677 HydrophobicContact CG2-CZ 4.1Å
543	V	94.1	Very high	92.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.2	-41.6	177.2	171.5	0	0	0	0	112	I513 I531 K539 T540 E545 I547 I617 L649 I651	I513-V543 HydrophobicContact CD1-CG2 4.12Å; I531-V543 HydrophobicContact CD1-CG2 3.45Å; I531-V543 VanDerWaalsContact CD1-CG2 3.45Å; K539-V543 WeakPolarHBondContact O-CG2 3.26Å; K539-V543 PolarHBondContact O-N 3.41Å; K539-V543 VanDerWaalsContact O-N 3.07Å; T540-V543 PolarHBondContact O-N 2.73Å; V543-E545 VanDerWaalsContact C-N 3.34Å; V543-I547 HydrophobicContact CG1-CD1 3.88Å; V543-I547 WeakPolarHBondContact O-CD1 3.29Å; V543-I547 VanDerWaalsContact O-CG1 3.29Å; V543-I547 WeakPolarHBondContact O-CG1 3.36Å; V543-I547 PolarHBondContact O-N 3.28Å; V543-I547 VanDerWaalsContact O-N 3.15Å; V543-I617 HydrophobicContact CG1-CD1 3.79Å; V543-I617 HydrophobicContact CG1-CG1 3.95Å; V543-L649 HydrophobicContact CG1-CD1 3.73Å; V543-I651 HydrophobicContact CB-CD1 4.11Å; V543-I651 HydrophobicContact CG1-CD1 4.28Å; V543-I651 HydrophobicContact CG2-CD1 3.91Å; V543-I651 HydrophobicContact CG2-CG1 4.46Å
544	H	92.4	Very high	92.4	Very high	56 Å²	56	31.9 Å²	31.9	26%	0.259	18%	0.178	S	C	.	.	H	α-helix	trans	-66.4	-34.4	175.7	-83.2	-112.4	0	0	0	112.3	T540 A541 I547 R548 E566	T540-H544 WeakPolarHBondContact O-CB 3.38Å; T540-H544 PolarHBondContact O-CD2 3.24Å; T540-H544 PolarHBondContact O-N 3.32Å; A541-H544 PolarHBondContact O-N 2.71Å; H544-I547 PolarHBondContact O-N 3.03Å; H544-R548 WeakPolarHBondContact O-CG 3.29Å; H544-R548 PolarHBondContact O-N 3.39Å; H544-E566 IonicContact CE1-OE2 3.44Å
545	E	91.4	Very high	92.4	Very high	18 Å²	18	37 Å²	37	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-70.5	-44.8	177	-151.6	58.9	-117.9	0	0	112.3	L503 F510 A541 T542 V543 I547 R548 C549	L503-E545 HydrophobicContact CD1-CB 4.25Å; F510-E545 HydrophobicContact CE2-CB 4.17Å; F510-E545 HydrophobicContact CE2-CG 4.29Å; A541-E545 PolarHBondContact O-N 3.15Å; T542-E545 PolarHBondContact O-N 3.47Å; V543-E545 VanDerWaalsContact C-N 3.34Å; E545-I547 PolarHBondContact O-N 2.98Å; E545-R548 WeakPolarHBondContact O-CB 3.41Å; E545-R548 PolarHBondContact O-N 2.64Å; E545-R548 WeakPolarHBondContact OE1-CD 3.3Å; E545-R548 IonicContact OE1-NH1 2.6Å; E545-R548 PolarHBondContact OE1-NH1 3.3Å; E545-R548 IonicContact OE2-CZ 2.65Å; E545-R548 IonicContact OE2-NH1 3.92Å; E545-R548 PolarHBondContact OE2-NH1 3.23Å; E545-C549 PolarHBondContact O-N 3.46Å; E545-C549 PolarHBondContact O-SG 2.86Å
546	V	93.4	Very high	92.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-53.5	-39.8	171.8	168.9	0	0	0	0	111	F510 I513 Y514 T542 C549 L550	F510-V546 HydrophobicContact CB-CG2 4.41Å; F510-V546 HydrophobicContact CD1-CG2 4.32Å; F510-V546 HydrophobicContact CD2-CB 4.48Å; F510-V546 HydrophobicContact CD2-CG2 3.34Å; F510-V546 HydrophobicContact CE1-CG2 4.43Å; F510-V546 HydrophobicContact CE2-CB 4.23Å; F510-V546 HydrophobicContact CE2-CG2 3.5Å; F510-V546 HydrophobicContact CG-CG2 3.77Å; F510-V546 HydrophobicContact CZ-CG2 4.05Å; I513-V546 HydrophobicContact CB-CG2 4.16Å; I513-V546 HydrophobicContact CG2-CB 4.3Å; I513-V546 HydrophobicContact CG2-CG1 3.96Å; I513-V546 HydrophobicContact CG2-CG2 4.2Å; Y514-V546 HydrophobicContact CD2-CG1 4.18Å; T542-V546 WeakPolarHBondContact O-CG2 3.11Å; T542-V546 PolarHBondContact O-N 3.5Å; V546-C549 PolarHBondContact O-N 2.9Å; V546-L550 HydrophobicContact CG1-CD1 3.67Å; V546-L550 HydrophobicContact CG1-CG 4.29Å; V546-L550 WeakPolarHBondContact O-CB 3.48Å; V546-L550 VanDerWaalsContact O-CG 3.24Å; V546-L550 WeakPolarHBondContact O-CG 3.48Å; V546-L550 PolarHBondContact O-N 3.24Å
547	I	93.1	Very high	92.4	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-73.8	-30.3	-179.2	-71.5	168.3	0	0	0	112.7	V543 H544 E545 Q551 F564 L615 I617 L649	V543-I547 HydrophobicContact CG1-CD1 3.88Å; V543-I547 WeakPolarHBondContact O-CD1 3.29Å; V543-I547 VanDerWaalsContact O-CG1 3.29Å; V543-I547 WeakPolarHBondContact O-CG1 3.36Å; V543-I547 PolarHBondContact O-N 3.28Å; V543-I547 VanDerWaalsContact O-N 3.15Å; H544-I547 PolarHBondContact O-N 3.03Å; E545-I547 PolarHBondContact O-N 2.98Å; I547-Q551 HydrophobicContact CG2-CG 4.48Å; I547-Q551 WeakPolarHBondContact O-CB 3.39Å; I547-Q551 WeakPolarHBondContact O-CG 3.47Å; I547-Q551 PolarHBondContact O-N 3.4Å; I547-F564 HydrophobicContact CD1-CD2 4.22Å; I547-F564 HydrophobicContact CD1-CE2 3.78Å; I547-F564 HydrophobicContact CG2-CD1 4.46Å; I547-F564 HydrophobicContact CG2-CD2 3.88Å; I547-F564 HydrophobicContact CG2-CE2 4Å; I547-F564 HydrophobicContact CG2-CG 4.14Å; I547-F564 HydrophobicContact CG2-CZ 4.32Å; I547-L615 HydrophobicContact CD1-CD2 3.77Å; I547-L615 HydrophobicContact CD1-CG 4.48Å; I547-L615 HydrophobicContact CG1-CD2 3.7Å; I547-I617 HydrophobicContact CD1-CD1 3.67Å; I547-I617 HydrophobicContact CD1-CG1 3.89Å; I547-L649 HydrophobicContact CD1-CD1 4.17Å
548	R	91.8	Very high	92.3	Very high	108 Å²	108	52 Å²	52	41%	0.408	27%	0.268	S	S	.	.	H	α-helix	trans	-63.9	-47.5	169.4	-72.5	163.7	169.2	-177.3	-8.2	111	H544 E545 L550 Q551 Q552	H544-R548 WeakPolarHBondContact O-CG 3.29Å; H544-R548 PolarHBondContact O-N 3.39Å; E545-R548 WeakPolarHBondContact O-CB 3.41Å; E545-R548 PolarHBondContact O-N 2.64Å; E545-R548 WeakPolarHBondContact OE1-CD 3.3Å; E545-R548 IonicContact OE1-NH1 2.6Å; E545-R548 PolarHBondContact OE1-NH1 3.3Å; E545-R548 IonicContact OE2-CZ 2.65Å; E545-R548 IonicContact OE2-NH1 3.92Å; E545-R548 PolarHBondContact OE2-NH1 3.23Å; R548-L550 PolarHBondContact O-N 2.95Å; R548-Q551 WeakPolarHBondContact O-CB 3.35Å; R548-Q551 PolarHBondContact O-N 2.86Å; R548-Q552 WeakPolarHBondContact O-CG 3.23Å; R548-Q552 PolarHBondContact O-N 2.85Å
549	C	92.2	Very high	92.2	Very high	38 Å²	38	51.4 Å²	51.4	26%	0.257	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-42.3	177.3	-60.2	0	0	0	0	112	F510 Y514 E545 V546 Q551 Q552 A553	F510-C549 HydrophobicContact CZ-CB 4.28Å; Y514-C549 HydrophobicContact CE2-CB 4.28Å; E545-C549 PolarHBondContact O-N 3.46Å; E545-C549 PolarHBondContact O-SG 2.86Å; V546-C549 PolarHBondContact O-N 2.9Å; C549-Q551 VanDerWaalsContact C-N 3.31Å; C549-Q551 PolarHBondContact O-N 3.39Å; C549-Q552 PolarHBondContact O-N 3.43Å; C549-A553 WeakPolarHBondContact O-CB 3.48Å; C549-A553 PolarHBondContact O-N 2.82Å
550	L	92.9	Very high	91.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.3	-30.6	174.7	-70.3	166.7	0	0	0	113.1	Y514 V517 E518 V546 R548 A554 L559 F562	Y514-L550 HydrophobicContact CD2-CD2 3.87Å; Y514-L550 HydrophobicContact CD2-CG 3.9Å; Y514-L550 HydrophobicContact CE2-CD2 3.43Å; Y514-L550 VanDerWaalsContact CE2-CD2 3.43Å; Y514-L550 HydrophobicContact CE2-CG 3.73Å; V517-L550 HydrophobicContact CB-CD1 3.79Å; V517-L550 HydrophobicContact CG1-CD1 3.57Å; E518-L550 HydrophobicContact CB-CD2 4.31Å; V546-L550 HydrophobicContact CG1-CD1 3.67Å; V546-L550 HydrophobicContact CG1-CG 4.29Å; V546-L550 WeakPolarHBondContact O-CB 3.48Å; V546-L550 VanDerWaalsContact O-CG 3.24Å; V546-L550 WeakPolarHBondContact O-CG 3.48Å; V546-L550 PolarHBondContact O-N 3.24Å; R548-L550 PolarHBondContact O-N 2.95Å; L550-A554 VanDerWaalsContact O-CB 3.3Å; L550-A554 WeakPolarHBondContact O-CB 3.24Å; L550-A554 PolarHBondContact O-N 3.39Å; L550-A554 VanDerWaalsContact O-N 3.07Å; L550-L559 HydrophobicContact CD2-CD1 3.51Å; L550-F562 HydrophobicContact CB-CE1 4.23Å; L550-F562 HydrophobicContact CB-CZ 3.96Å
551	Q	92.8	Very high	91.8	Very high	68 Å²	68	55.2 Å²	55.2	32%	0.318	29%	0.288	S	S	.	.	H	α-helix	trans	-69.4	-44.3	172.2	-78.6	167.5	-4.1	0	0	110.9	I547 R548 C549 A554 E555 F562	I547-Q551 HydrophobicContact CG2-CG 4.48Å; I547-Q551 WeakPolarHBondContact O-CB 3.39Å; I547-Q551 WeakPolarHBondContact O-CG 3.47Å; I547-Q551 PolarHBondContact O-N 3.4Å; R548-Q551 WeakPolarHBondContact O-CB 3.35Å; R548-Q551 PolarHBondContact O-N 2.86Å; C549-Q551 VanDerWaalsContact C-N 3.31Å; C549-Q551 PolarHBondContact O-N 3.39Å; Q551-A554 CarbonylContact O-C 3.53Å; Q551-A554 PolarHBondContact O-N 2.92Å; Q551-A554 VanDerWaalsContact O-N 3.16Å; Q551-E555 WeakPolarHBondContact O-CG 3.41Å; Q551-E555 PolarHBondContact O-N 3.21Å; Q551-F562 HydrophobicContact CG-CZ 4.01Å
552	Q	92.5	Very high	91.8	Very high	112 Å²	112	55.2 Å²	55.2	52%	0.523	28%	0.283	S	S	.	.	H	α-helix	trans	-60.9	-45.6	174.6	-70.1	165.8	-12	0	0	111.9	R548 C549 A554 E555 N556	R548-Q552 WeakPolarHBondContact O-CG 3.23Å; R548-Q552 PolarHBondContact O-N 2.85Å; C549-Q552 PolarHBondContact O-N 3.43Å; Q552-A554 VanDerWaalsContact C-N 3.27Å; Q552-A554 PolarHBondContact O-N 3.48Å; Q552-E555 CarbonylContact O-C 3.46Å; Q552-E555 PolarHBondContact O-N 3.42Å; Q552-N556 VanDerWaalsContact O-CG 3.23Å; Q552-N556 PolarHBondContact O-N 2.98Å; Q552-N556 PolarHBondContact O-ND2 3.38Å
553	A	92.6	Very high	91.7	Very high	5 Å²	5	58.3 Å²	58.3	4%	0.041	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-31.8	174.6	0	0	0	0	0	112.9	C549 E558 L559	C549-A553 WeakPolarHBondContact O-CB 3.48Å; C549-A553 PolarHBondContact O-N 2.82Å; A553-E558 HydrophobicContact CB-CB 4.4Å; A553-E558 WeakPolarHBondContact O-CB 3.24Å; A553-E558 PolarHBondContact O-N 3.13Å; A553-L559 HydrophobicContact CB-CD1 3.8Å; A553-L559 HydrophobicContact CB-CG 4.05Å; A553-L559 PolarHBondContact O-N 2.94Å
554	A	91.8	Very high	91.7	Very high	18 Å²	18	61.6 Å²	61.6	15%	0.149	31%	0.311	C	S	.	.	H	α-helix	trans	-80.7	-15.3	173.3	0	0	0	0	0	114.3	L550 Q551 Q552 L559 F562	L550-A554 VanDerWaalsContact O-CB 3.3Å; L550-A554 WeakPolarHBondContact O-CB 3.24Å; L550-A554 PolarHBondContact O-N 3.39Å; L550-A554 VanDerWaalsContact O-N 3.07Å; Q551-A554 CarbonylContact O-C 3.53Å; Q551-A554 PolarHBondContact O-N 2.92Å; Q551-A554 VanDerWaalsContact O-N 3.16Å; Q552-A554 VanDerWaalsContact C-N 3.27Å; Q552-A554 PolarHBondContact O-N 3.48Å; A554-L559 HydrophobicContact CB-CB 4.38Å; A554-F562 HydrophobicContact CB-CD1 4.33Å; A554-F562 HydrophobicContact CB-CE1 4.01Å
555	E	92.9	Very high	91.8	Very high	159 Å²	159	59.1 Å²	59.1	74%	0.743	30%	0.3	S	S	*	.	H	α-helix	trans	-85.8	-27	168.5	-74.2	174.8	-176.5	0	0	111.6	Q551 Q552 D557	Q551-E555 WeakPolarHBondContact O-CG 3.41Å; Q551-E555 PolarHBondContact O-N 3.21Å; Q552-E555 CarbonylContact O-C 3.46Å; Q552-E555 PolarHBondContact O-N 3.42Å; E555-D557 VanDerWaalsContact C-N 3.26Å; E555-D557 PolarHBondContact O-N 3.24Å
556	N	93.3	Very high	91.9	Very high	110 Å²	110	61.1 Å²	61.1	59%	0.588	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	6.9	172.8	-65.6	-20.4	0	0	0	114	Q552 E558	Q552-N556 VanDerWaalsContact O-CG 3.23Å; Q552-N556 PolarHBondContact O-N 2.98Å; Q552-N556 PolarHBondContact O-ND2 3.38Å; N556-E558 HydrophobicContact CB-CG 4.03Å; N556-E558 PolarHBondContact O-N 3.21Å; N556-E558 VanDerWaalsContact O-N 3.12Å
557	D	88.3	Confident	92	Very high	154 Å²	154	61.2 Å²	61.2	82%	0.824	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	13.5	-173.2	-78.2	-46	0	0	0	115.8	E555	E555-D557 VanDerWaalsContact C-N 3.26Å; E555-D557 PolarHBondContact O-N 3.24Å
558	E	90.6	Very high	92.1	Very high	138 Å²	138	61.9 Å²	61.9	65%	0.645	31%	0.313	S	S	*	.	S	Bend	trans	-72.3	-33.2	175.6	-59.3	177	147.5	0	0	111.8	A553 N556	A553-E558 HydrophobicContact CB-CB 4.4Å; A553-E558 WeakPolarHBondContact O-CB 3.24Å; A553-E558 PolarHBondContact O-N 3.13Å; N556-E558 HydrophobicContact CB-CG 4.03Å; N556-E558 PolarHBondContact O-N 3.21Å; N556-E558 VanDerWaalsContact O-N 3.12Å
559	L	88.6	Confident	92.1	Very high	9 Å²	9	57 Å²	57	5%	0.047	30%	0.296	C	S	.	.	S	Bend	trans	-124.5	143.7	-178.3	-63	-179.5	0	0	0	112.7	E518 L521 I522 L550 A553 A554 S561	E518-L559 HydrophobicContact CG-CD1 4.45Å; E518-L559 HydrophobicContact CG-CD2 3.93Å; L521-L559 HydrophobicContact CD2-CB 4.11Å; L521-L559 HydrophobicContact CD2-CD1 4.34Å; I522-L559 HydrophobicContact CD1-CD2 3.92Å; I522-L559 HydrophobicContact CG1-CD2 3.9Å; L550-L559 HydrophobicContact CD2-CD1 3.51Å; A553-L559 HydrophobicContact CB-CD1 3.8Å; A553-L559 HydrophobicContact CB-CG 4.05Å; A553-L559 PolarHBondContact O-N 2.94Å; A554-L559 HydrophobicContact CB-CB 4.38Å; L559-S561 PolarHBondContact O-N 2.91Å
560	P	88.3	Confident	92.1	Very high	67 Å²	67	61.4 Å²	61.4	44%	0.435	32%	0.315	S	S	.	.			trans	-69.7	128.9	-176.4	27.6	-34.1	0	0	0	112	L521 F562	L521-P560 HydrophobicContact CD1-CG 4.1Å; L521-P560 WeakPolarHBondContact CD1-O 3.31Å; L521-P560 HydrophobicContact CG-CG 3.94Å; P560-F562 PolarHBondContact O-N 3.2Å
561	S	89.4	Confident	92.1	Very high	64 Å²	64	67.4 Å²	67.4	45%	0.448	34%	0.341	S	S	.	.			trans	-52.5	126.9	-173	73.8	0	0	0	0	114.5	L559 K612	L559-S561 PolarHBondContact O-N 2.91Å; S561-K612 PolarHBondContact OG-NZ 3.18Å
562	F	92.1	Very high	92	Very high	30 Å²	30	65.1 Å²	65.1	13%	0.132	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	166.3	-180	62.3	-83	0	0	0	112.1	L521 L550 Q551 A554 P560 F564 S613 L615	L521-F562 HydrophobicContact CD1-CB 3.92Å; L521-F562 HydrophobicContact CD1-CD1 4.32Å; L521-F562 HydrophobicContact CD1-CG 4.43Å; L521-F562 HydrophobicContact CD2-CD1 3.55Å; L521-F562 HydrophobicContact CD2-CE1 3.97Å; L521-F562 HydrophobicContact CD2-CG 4.32Å; L550-F562 HydrophobicContact CB-CE1 4.23Å; L550-F562 HydrophobicContact CB-CZ 3.96Å; Q551-F562 HydrophobicContact CG-CZ 4.01Å; A554-F562 HydrophobicContact CB-CD1 4.33Å; A554-F562 HydrophobicContact CB-CE1 4.01Å; P560-F562 PolarHBondContact O-N 3.2Å; F562-F564 HydrophobicContact CE2-CB 4.31Å; F562-S613 CarbonylContact C-O 3.55Å; F562-S613 WeakPolarHBondContact CA-O 3.06Å; F562-S613 WeakPolarHBondContact CB-O 3.35Å; F562-L615 HydrophobicContact CD2-CB 3.91Å; F562-L615 HydrophobicContact CD2-CD2 4.36Å; F562-L615 HydrophobicContact CE2-CB 4.22Å; F562-L615 HydrophobicContact CE2-CD2 3.85Å
563	Q	91.6	Very high	92	Very high	67 Å²	67	66 Å²	66	31%	0.313	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119	172.5	-176.8	170.8	7.4	0	0	109.2	I565 L585 S613 T614 L615	Q563-I565 HydrophobicContact CG-CG1 4.44Å; Q563-L585 PolarHBondContact NE2-O 2.85Å; Q563-S613 PolarHBondContact N-O 3.01Å; Q563-T614 WeakPolarHBondContact O-CA 3.47Å; Q563-L615 PolarHBondContact O-N 3Å
564	F	93.8	Very high	92	Very high	68 Å²	68	68.9 Å²	68.9	30%	0.298	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	137.5	176.6	171.5	-120.7	0	0	0	111.5	I547 F562 E566 I617	I547-F564 HydrophobicContact CD1-CD2 4.22Å; I547-F564 HydrophobicContact CD1-CE2 3.78Å; I547-F564 HydrophobicContact CG2-CD1 4.46Å; I547-F564 HydrophobicContact CG2-CD2 3.88Å; I547-F564 HydrophobicContact CG2-CE2 4Å; I547-F564 HydrophobicContact CG2-CG 4.14Å; I547-F564 HydrophobicContact CG2-CZ 4.32Å; F562-F564 HydrophobicContact CE2-CB 4.31Å; F564-E566 HydrophobicContact CE1-CB 4.47Å; F564-E566 HydrophobicContact CZ-CB 3.91Å; F564-I617 HydrophobicContact CE2-CD1 3.56Å; F564-I617 HydrophobicContact CE2-CG1 3.91Å; F564-I617 HydrophobicContact CZ-CD1 3.78Å
565	I	94.6	Very high	92.1	Very high	4 Å²	4	69.1 Å²	69.1	2%	0.021	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	130.2	177.6	-58	-175.5	0	0	0	109	Q563 I567 L585 L586 T614 L615 L616 I617	Q563-I565 HydrophobicContact CG-CG1 4.44Å; I565-I567 HydrophobicContact CG2-CG1 4.45Å; I565-L585 HydrophobicContact CD1-CB 4.25Å; I565-L585 HydrophobicContact CG1-CB 4.33Å; I565-L585 HydrophobicContact CG2-CB 4.02Å; I565-L585 HydrophobicContact CG2-CD1 3.71Å; I565-L586 HydrophobicContact CD1-CD2 3.66Å; I565-L586 HydrophobicContact CD1-CG 3.66Å; I565-T614 HydrophobicContact CD1-CG2 3.82Å; I565-T614 HydrophobicContact CG1-CG2 4.3Å; I565-L615 PolarHBondContact N-O 3.38Å; I565-L616 HydrophobicContact CB-CD1 3.94Å; I565-L616 HydrophobicContact CG2-CD1 3.55Å; I565-L616 CarbonylContact O-C 3.6Å; I565-L616 WeakPolarHBondContact O-CA 3.46Å; I565-I617 PolarHBondContact O-N 2.82Å
566	E	94.6	Very high	92.1	Very high	60 Å²	60	64.7 Å²	64.7	28%	0.28	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.1	173.1	-170.8	-139.3	117.7	0	0	110	H544 F564 K571 I617	H544-E566 IonicContact CE1-OE2 3.44Å; F564-E566 HydrophobicContact CE1-CB 4.47Å; F564-E566 HydrophobicContact CZ-CB 3.91Å; E566-K571 IonicContact OE1-NZ 3.16Å; E566-K571 PolarHBondContact OE1-NZ 3.5Å; E566-K571 IonicContact OE2-NZ 2.73Å; E566-I617 HydrophobicContact CG-CB 4.45Å; E566-I617 HydrophobicContact CG-CD1 4.38Å
567	I	94.7	Very high	92.1	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.015	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140	166.9	-65.5	-178.1	0	0	0	108.5	I565 L572 Q581 I582 L616 I617 V618 D619	I565-I567 HydrophobicContact CG2-CG1 4.45Å; I567-L572 HydrophobicContact CG2-CD1 3.95Å; I567-Q581 HydrophobicContact CD1-CB 3.83Å; I567-Q581 HydrophobicContact CG1-CB 4.28Å; I567-I582 HydrophobicContact CD1-CB 4.28Å; I567-I582 HydrophobicContact CD1-CD1 4.21Å; I567-I582 HydrophobicContact CD1-CG1 3.24Å; I567-L616 HydrophobicContact CD1-CD1 4.29Å; I567-L616 HydrophobicContact CG1-CD1 4.38Å; I567-I617 PolarHBondContact N-O 3.49Å; I567-V618 CarbonylContact O-C 3.55Å; I567-V618 WeakPolarHBondContact O-CA 3.28Å; I567-D619 PolarHBondContact O-N 2.75Å
568	N	94.5	Very high	92.4	Very high	18 Å²	18	55.7 Å²	55.7	10%	0.096	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.3	175.9	167.7	-66.1	0	0	0	109.3	M570 K571 D619 E620	N568-M570 VanDerWaalsContact C-N 3.33Å; N568-M570 PolarHBondContact O-N 2.97Å; N568-M570 WeakPolarHBondContact OD1-CA 3.31Å; N568-M570 VanDerWaalsContact OD1-CB 3.31Å; N568-M570 WeakPolarHBondContact OD1-CB 3.3Å; N568-M570 PolarHBondContact OD1-N 2.67Å; N568-K571 HydrophobicContact CB-CD 3.94Å; N568-K571 HydrophobicContact CB-CG 4.08Å; N568-K571 WeakPolarHBondContact O-CB 3.44Å; N568-K571 PolarHBondContact O-N 2.83Å; N568-K571 VanDerWaalsContact O-N 3.08Å; N568-K571 PolarHBondContact OD1-N 3.45Å; N568-D619 CarbonylContact C-O 3.59Å; N568-D619 WeakPolarHBondContact CA-O 3.41Å; N568-D619 HydrophobicContact CB-CB 4.28Å; N568-E620 PolarHBondContact ND2-OE1 3.13Å; N568-E620 VanDerWaalsContact ND2-OE1 3.08Å
569	G	92.2	Very high	92.6	Very high	5 Å²	5	49.4 Å²	49.4	5%	0.052	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-58.5	-36.8	-176.3	0	0	0	0	0	114.6	K571 L572 D619	G569-K571 PolarHBondContact O-N 3.39Å; G569-L572 PolarHBondContact O-N 3.3Å; G569-D619 PolarHBondContact N-O 3.14Å
570	M	91.6	Very high	92.9	Very high	131 Å²	131	50.4 Å²	50.4	65%	0.645	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-69.7	-17	177.7	-66.7	-71.1	-82.7	0	0	113.2	N568 L572 E620 L623	N568-M570 VanDerWaalsContact C-N 3.33Å; N568-M570 PolarHBondContact O-N 2.97Å; N568-M570 WeakPolarHBondContact OD1-CA 3.31Å; N568-M570 VanDerWaalsContact OD1-CB 3.31Å; N568-M570 WeakPolarHBondContact OD1-CB 3.3Å; N568-M570 PolarHBondContact OD1-N 2.67Å; M570-L572 VanDerWaalsContact C-N 3.27Å; M570-E620 WeakPolarHBondContact CG-OE1 3.33Å; M570-E620 WeakPolarHBondContact CG-OE2 3.49Å; M570-L623 HydrophobicContact CB-CD1 4.28Å; M570-L623 HydrophobicContact CG-CD1 3.42Å; M570-L623 VanDerWaalsContact CG-CD1 3.42Å; M570-L623 HydrophobicContact SD-CD1 3.4Å; M570-L623 WeakPolarHBondContact SD-CD1 3.34Å; M570-L623 HydrophobicContact SD-CD2 4.42Å
571	K	92.9	Very high	93.2	Very high	125 Å²	125	49.8 Å²	49.8	54%	0.543	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-83.4	0.7	175.8	-58.7	178.2	-172.6	170.2	0	113	E566 N568 G569	E566-K571 IonicContact OE1-NZ 3.16Å; E566-K571 PolarHBondContact OE1-NZ 3.5Å; E566-K571 IonicContact OE2-NZ 2.73Å; N568-K571 HydrophobicContact CB-CD 3.94Å; N568-K571 HydrophobicContact CB-CG 4.08Å; N568-K571 WeakPolarHBondContact O-CB 3.44Å; N568-K571 PolarHBondContact O-N 2.83Å; N568-K571 VanDerWaalsContact O-N 3.08Å; N568-K571 PolarHBondContact OD1-N 3.45Å; G569-K571 PolarHBondContact O-N 3.39Å
572	L	92.2	Very high	93.4	Very high	21 Å²	21	46.9 Å²	46.9	11%	0.11	24%	0.235	C	C	.	.			trans	-116	140.8	-175.3	-63.4	166.3	0	0	0	110.8	I567 G569 M570 Q577 A578 Q581 L624	I567-L572 HydrophobicContact CG2-CD1 3.95Å; G569-L572 PolarHBondContact O-N 3.3Å; M570-L572 VanDerWaalsContact C-N 3.27Å; L572-Q577 HydrophobicContact CD2-CB 3.78Å; L572-A578 HydrophobicContact CD1-CB 3.87Å; L572-Q581 VanDerWaalsContact CD2-CD 3.47Å; L572-Q581 HydrophobicContact CD2-CG 4.17Å; L572-L624 HydrophobicContact CD1-CD2 3.69Å
573	T	92.1	Very high	93.4	Very high	130 Å²	130	45.6 Å²	45.6	80%	0.798	23%	0.23	S	C	*	.	S	Bend	trans	-94	-18.7	176.6	58.9	0	0	0	0	113.3	Q577	T573-Q577 PolarHBondContact OG1-NE2 3.16Å; T573-Q577 PolarHBondContact OG1-OE1 2.71Å
574	D	92.7	Very high	93.6	Very high	66 Å²	66	45.5 Å²	45.5	35%	0.353	23%	0.229	S	C	.	.	S	Bend	trans	-145.3	137.8	171.6	163.9	76.6	0	0	0	109.4	H576 Q577	D574-H576 PolarHBondContact O-N 3.08Å; D574-H576 VanDerWaalsContact O-N 3.1Å; D574-H576 IonicContact OD1-CD2 3.53Å; D574-H576 WeakPolarHBondContact OD2-CA 3.36Å; D574-H576 WeakPolarHBondContact OD2-CB 3.47Å; D574-H576 IonicContact OD2-CD2 3.27Å; D574-H576 IonicContact OD2-CG 2.73Å; D574-H576 PolarHBondContact OD2-N 2.9Å; D574-Q577 HydrophobicContact CB-CG 4.21Å; D574-Q577 VanDerWaalsContact O-CB 3.23Å; D574-Q577 WeakPolarHBondContact O-CB 3.31Å; D574-Q577 WeakPolarHBondContact O-CG 3.48Å; D574-Q577 PolarHBondContact O-N 3.02Å
575	P	92.6	Very high	93.4	Very high	23 Å²	23	46.4 Å²	46.4	15%	0.149	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.7	-178.5	-32.8	40	0	0	0	116.3	Q577 A578 L624 T626 V631	P575-Q577 VanDerWaalsContact C-N 3.25Å; P575-Q577 PolarHBondContact O-N 2.81Å; P575-A578 WeakPolarHBondContact O-CB 3.47Å; P575-A578 PolarHBondContact O-N 3.32Å; P575-L624 HydrophobicContact CB-CD2 4.07Å; P575-T626 HydrophobicContact CB-CG2 3.9Å; P575-T626 HydrophobicContact CG-CG2 3.79Å; P575-V631 HydrophobicContact CB-CG2 4.07Å
576	H	93.1	Very high	93.2	Very high	65 Å²	65	47.9 Å²	47.9	30%	0.301	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-17.5	176.8	-60.4	-101	0	0	0	112.4	D574 A578 Y579 A593	D574-H576 PolarHBondContact O-N 3.08Å; D574-H576 VanDerWaalsContact O-N 3.1Å; D574-H576 IonicContact OD1-CD2 3.53Å; D574-H576 WeakPolarHBondContact OD2-CA 3.36Å; D574-H576 WeakPolarHBondContact OD2-CB 3.47Å; D574-H576 IonicContact OD2-CD2 3.27Å; D574-H576 IonicContact OD2-CG 2.73Å; D574-H576 PolarHBondContact OD2-N 2.9Å; H576-A578 PolarHBondContact O-N 3.02Å; H576-Y579 HydrophobicContact CB-CD2 4.37Å; H576-Y579 WeakPolarHBondContact O-CD2 3.3Å; H576-Y579 PolarHBondContact O-N 3.2Å; H576-A593 HydrophobicContact CB-CB 3.92Å; H576-A593 WeakPolarHBondContact O-CB 3.36Å
577	Q	93.6	Very high	92.9	Very high	72 Å²	72	48 Å²	48	34%	0.336	25%	0.249	S	C	.	.	H	α-helix	trans	-64.9	-20.6	173.5	-64.1	174.6	-12.1	0	0	112.7	L572 T573 D574 P575 Y579 V580 Q581	L572-Q577 HydrophobicContact CD2-CB 3.78Å; T573-Q577 PolarHBondContact OG1-NE2 3.16Å; T573-Q577 PolarHBondContact OG1-OE1 2.71Å; D574-Q577 HydrophobicContact CB-CG 4.21Å; D574-Q577 VanDerWaalsContact O-CB 3.23Å; D574-Q577 WeakPolarHBondContact O-CB 3.31Å; D574-Q577 WeakPolarHBondContact O-CG 3.48Å; D574-Q577 PolarHBondContact O-N 3.02Å; P575-Q577 VanDerWaalsContact C-N 3.25Å; P575-Q577 PolarHBondContact O-N 2.81Å; Q577-Y579 PolarHBondContact O-N 2.82Å; Q577-V580 WeakPolarHBondContact O-CB 3.5Å; Q577-V580 PolarHBondContact O-N 2.9Å; Q577-Q581 PolarHBondContact O-N 3.29Å; Q577-Q581 VanDerWaalsContact O-N 3.13Å
578	A	94.3	Very high	92.7	Very high	3 Å²	3	50.9 Å²	50.9	3%	0.025	28%	0.28	C	S	.	.	H	α-helix	trans	-52.7	-41.4	172	0	0	0	0	0	111.6	L572 P575 H576 V580 Q581 I582 L624	L572-A578 HydrophobicContact CD1-CB 3.87Å; P575-A578 WeakPolarHBondContact O-CB 3.47Å; P575-A578 PolarHBondContact O-N 3.32Å; H576-A578 PolarHBondContact O-N 3.02Å; A578-V580 VanDerWaalsContact C-N 3.27Å; A578-V580 PolarHBondContact O-N 3.24Å; A578-Q581 PolarHBondContact O-N 3.28Å; A578-I582 WeakPolarHBondContact O-CG1 3.29Å; A578-I582 PolarHBondContact O-N 2.95Å; A578-L624 HydrophobicContact CB-CD1 4.39Å; A578-L624 HydrophobicContact CB-CD2 4.28Å
579	Y	94.8	Very high	92.5	Very high	6 Å²	6	55.8 Å²	55.8	2%	0.024	30%	0.302	C	S	.	.	H	α-helix	trans	-62	-34.2	176.7	-58	-49.1	0	0	0	113.3	H576 Q577 L583 A597 L600 N630 V631 N634 W638	H576-Y579 HydrophobicContact CB-CD2 4.37Å; H576-Y579 WeakPolarHBondContact O-CD2 3.3Å; H576-Y579 PolarHBondContact O-N 3.2Å; Q577-Y579 PolarHBondContact O-N 2.82Å; Y579-L583 WeakPolarHBondContact O-CB 3.24Å; Y579-L583 PolarHBondContact O-N 3.39Å; Y579-L583 VanDerWaalsContact O-N 3.1Å; Y579-A597 HydrophobicContact CD1-CB 4.31Å; Y579-A597 HydrophobicContact CD2-CB 3.73Å; Y579-A597 HydrophobicContact CE1-CB 4.34Å; Y579-A597 HydrophobicContact CE2-CB 3.79Å; Y579-A597 HydrophobicContact CG-CB 3.97Å; Y579-L600 HydrophobicContact CD1-CD1 4.2Å; Y579-L600 WeakPolarHBondContact O-CD1 3.26Å; Y579-N630 PolarHBondContact OH-O 3.1Å; Y579-V631 HydrophobicContact CE2-CG2 4.25Å; Y579-V631 WeakPolarHBondContact OH-CA 3.18Å; Y579-N634 HydrophobicContact CE1-CB 4.34Å; Y579-N634 PolarHBondContact OH-ND2 3.35Å; Y579-W638 AromaticContact CD1-CH2 3.67Å; Y579-W638 HydrophobicContact CD1-CH2 3.67Å; Y579-W638 HydrophobicContact CD1-CZ2 4.41Å; Y579-W638 AromaticContact CE1-CH2 3.63Å; Y579-W638 HydrophobicContact CE1-CH2 3.63Å; Y579-W638 HydrophobicContact CE1-CZ2 4.07Å
580	V	95.1	Very high	92.4	Very high	31 Å²	31	62.7 Å²	62.7	19%	0.188	33%	0.331	C	S	.	.	H	α-helix	trans	-69.9	-42.9	178.3	-172.3	0	0	0	0	109.7	Q577 A578 L583 E584 V591 A593	Q577-V580 WeakPolarHBondContact O-CB 3.5Å; Q577-V580 PolarHBondContact O-N 2.9Å; A578-V580 VanDerWaalsContact C-N 3.27Å; A578-V580 PolarHBondContact O-N 3.24Å; V580-L583 PolarHBondContact O-N 2.68Å; V580-E584 VanDerWaalsContact O-CB 3.26Å; V580-E584 WeakPolarHBondContact O-CB 3.4Å; V580-E584 PolarHBondContact O-N 3.04Å; V580-V591 WeakPolarHBondContact CG2-O 3.33Å; V580-A593 HydrophobicContact CG2-CB 3.99Å
581	Q	94	Very high	92.5	Very high	53 Å²	53	58.6 Å²	58.6	25%	0.248	31%	0.313	C	S	.	.	H	α-helix	trans	-66.3	-42.3	176.2	-71.9	-173	-3.2	0	0	112.8	I567 L572 Q577 A578 L583 E584 L585	I567-Q581 HydrophobicContact CD1-CB 3.83Å; I567-Q581 HydrophobicContact CG1-CB 4.28Å; L572-Q581 VanDerWaalsContact CD2-CD 3.47Å; L572-Q581 HydrophobicContact CD2-CG 4.17Å; Q577-Q581 PolarHBondContact O-N 3.29Å; Q577-Q581 VanDerWaalsContact O-N 3.13Å; A578-Q581 PolarHBondContact O-N 3.28Å; Q581-L583 VanDerWaalsContact C-N 3.32Å; Q581-L583 PolarHBondContact O-N 3.22Å; Q581-E584 PolarHBondContact O-N 3.07Å; Q581-L585 WeakPolarHBondContact O-CB 3.44Å; Q581-L585 VanDerWaalsContact O-CG 3.31Å; Q581-L585 WeakPolarHBondContact O-CG 3.44Å; Q581-L585 PolarHBondContact O-N 2.93Å
582	I	94.1	Very high	92.6	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.015	32%	0.315	C	S	.	.	H	α-helix	trans	-60	-45.2	175.1	-60	170.4	0	0	0	110.1	I567 A578 L585 L586 L600 L616 L635 W638	I567-I582 HydrophobicContact CD1-CB 4.28Å; I567-I582 HydrophobicContact CD1-CD1 4.21Å; I567-I582 HydrophobicContact CD1-CG1 3.24Å; A578-I582 WeakPolarHBondContact O-CG1 3.29Å; A578-I582 PolarHBondContact O-N 2.95Å; I582-L585 PolarHBondContact O-N 3.01Å; I582-L586 HydrophobicContact CG2-CD1 3.82Å; I582-L586 HydrophobicContact CG2-CG 4.4Å; I582-L586 WeakPolarHBondContact O-CB 3.48Å; I582-L586 VanDerWaalsContact O-CG 3.32Å; I582-L586 WeakPolarHBondContact O-CG 3.45Å; I582-L586 PolarHBondContact O-N 3.28Å; I582-L600 HydrophobicContact CB-CD1 3.84Å; I582-L600 HydrophobicContact CB-CD2 4.3Å; I582-L600 HydrophobicContact CD1-CD1 4.44Å; I582-L600 HydrophobicContact CG2-CD1 3.96Å; I582-L600 HydrophobicContact CG2-CD2 3.64Å; I582-L600 HydrophobicContact CG2-CG 4.47Å; I582-L616 HydrophobicContact CD1-CD2 3.98Å; I582-L616 HydrophobicContact CG1-CD1 4.38Å; I582-L616 HydrophobicContact CG1-CD2 4.41Å; I582-L635 HydrophobicContact CD1-CD2 3.72Å; I582-W638 HydrophobicContact CD1-CZ3 4Å
583	L	93.4	Very high	92.7	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	32%	0.32	C	S	.	.	H	α-helix	trans	-69.4	-40.1	-178.8	-174.6	67.1	0	0	0	112.4	Y579 V580 Q581 L586 T587 V591 A596 L599 L600 L603	Y579-L583 WeakPolarHBondContact O-CB 3.24Å; Y579-L583 PolarHBondContact O-N 3.39Å; Y579-L583 VanDerWaalsContact O-N 3.1Å; V580-L583 PolarHBondContact O-N 2.68Å; Q581-L583 VanDerWaalsContact C-N 3.32Å; Q581-L583 PolarHBondContact O-N 3.22Å; L583-L586 PolarHBondContact O-N 3.07Å; L583-T587 HydrophobicContact CD1-CG2 3.79Å; L583-T587 WeakPolarHBondContact O-CB 3.33Å; L583-T587 PolarHBondContact O-N 2.86Å; L583-T587 PolarHBondContact O-OG1 2.86Å; L583-V591 HydrophobicContact CD2-CB 4.35Å; L583-V591 HydrophobicContact CD2-CG2 3.77Å; L583-A596 HydrophobicContact CB-CB 4.32Å; L583-A596 HydrophobicContact CD2-CB 3.85Å; L583-L599 HydrophobicContact CD1-CB 4.3Å; L583-L599 HydrophobicContact CD1-CD1 4.45Å; L583-L599 HydrophobicContact CD2-CB 4.39Å; L583-L599 HydrophobicContact CD2-CD1 3.72Å; L583-L600 HydrophobicContact CB-CD2 4.29Å; L583-L600 HydrophobicContact CB-CG 4.42Å; L583-L600 HydrophobicContact CD1-CD2 4.19Å; L583-L603 HydrophobicContact CD1-CD1 4.19Å
584	E	94	Very high	92.7	Very high	65 Å²	65	56.7 Å²	56.7	30%	0.304	32%	0.316	S	S	.	.	H	α-helix	trans	-59	-47.4	174.4	176.9	175.5	-175	0	0	110.9	V580 Q581 L586 T587 G588 K590	V580-E584 VanDerWaalsContact O-CB 3.26Å; V580-E584 WeakPolarHBondContact O-CB 3.4Å; V580-E584 PolarHBondContact O-N 3.04Å; Q581-E584 PolarHBondContact O-N 3.07Å; E584-L586 VanDerWaalsContact C-N 3.34Å; E584-L586 PolarHBondContact O-N 3.42Å; E584-T587 PolarHBondContact O-N 2.7Å; E584-G588 VanDerWaalsContact O-CA 3.22Å; E584-G588 WeakPolarHBondContact O-CA 3.27Å; E584-G588 PolarHBondContact O-N 2.99Å; E584-K590 WeakPolarHBondContact OE1-CE 3.31Å; E584-K590 IonicContact OE1-NZ 2.73Å; E584-K590 PolarHBondContact OE1-NZ 2.9Å; E584-K590 WeakPolarHBondContact OE2-CE 3.45Å; E584-K590 IonicContact OE2-NZ 3.45Å; E584-K590 PolarHBondContact OE2-NZ 2.69Å
585	L	91.5	Very high	92.8	Very high	87 Å²	87	58 Å²	58	46%	0.455	32%	0.32	S	S	.	.	H	α-helix	trans	-74.7	-21.5	-179.1	-64.8	170.4	0	0	0	113.3	Q563 I565 Q581 I582	Q563-L585 PolarHBondContact NE2-O 2.85Å; I565-L585 HydrophobicContact CD1-CB 4.25Å; I565-L585 HydrophobicContact CG1-CB 4.33Å; I565-L585 HydrophobicContact CG2-CB 4.02Å; I565-L585 HydrophobicContact CG2-CD1 3.71Å; Q581-L585 WeakPolarHBondContact O-CB 3.44Å; Q581-L585 VanDerWaalsContact O-CG 3.31Å; Q581-L585 WeakPolarHBondContact O-CG 3.44Å; Q581-L585 PolarHBondContact O-N 2.93Å; I582-L585 PolarHBondContact O-N 3.01Å
586	L	89.6	Confident	92.9	Very high	35 Å²	35	56.9 Å²	56.9	18%	0.183	31%	0.312	C	S	.	.	H	α-helix	trans	-82.8	-35.8	171.5	-79.2	173.8	0	0	0	114.2	I565 I582 L583 E584 L600 F604 T614	I565-L586 HydrophobicContact CD1-CD2 3.66Å; I565-L586 HydrophobicContact CD1-CG 3.66Å; I582-L586 HydrophobicContact CG2-CD1 3.82Å; I582-L586 HydrophobicContact CG2-CG 4.4Å; I582-L586 WeakPolarHBondContact O-CB 3.48Å; I582-L586 VanDerWaalsContact O-CG 3.32Å; I582-L586 WeakPolarHBondContact O-CG 3.45Å; I582-L586 PolarHBondContact O-N 3.28Å; L583-L586 PolarHBondContact O-N 3.07Å; E584-L586 VanDerWaalsContact C-N 3.34Å; E584-L586 PolarHBondContact O-N 3.42Å; L586-L600 HydrophobicContact CD1-CD2 3.63Å; L586-F604 HydrophobicContact CD1-CZ 4.14Å; L586-T614 HydrophobicContact CD2-CG2 4.1Å
587	T	88.1	Confident	92.9	Very high	62 Å²	62	54.6 Å²	54.6	38%	0.38	31%	0.305	S	S	.	.	H	α-helix	trans	-133.5	-9.2	-163.1	68.6	0	0	0	0	115.5	L583 E584 Q589	L583-T587 HydrophobicContact CD1-CG2 3.79Å; L583-T587 WeakPolarHBondContact O-CB 3.33Å; L583-T587 PolarHBondContact O-N 2.86Å; L583-T587 PolarHBondContact O-OG1 2.86Å; E584-T587 PolarHBondContact O-N 2.7Å; T587-Q589 PolarHBondContact O-N 2.87Å; T587-Q589 PolarHBondContact OG1-N 2.93Å
588	G	89.8	Confident	92.9	Very high	64 Å²	64	54.1 Å²	54.1	66%	0.66	31%	0.313	S	S	*	.	S	Bend	trans	73.3	-0.7	-171.1	0	0	0	0	0	115.1	E584	E584-G588 VanDerWaalsContact O-CA 3.22Å; E584-G588 WeakPolarHBondContact O-CA 3.27Å; E584-G588 PolarHBondContact O-N 2.99Å
589	Q	90.2	Very high	92.9	Very high	121 Å²	121	56.5 Å²	56.5	57%	0.565	33%	0.325	S	S	*	.			trans	-99.2	130.2	-172.9	-59.9	-171	9.5	0	0	113.1	T587 V591	T587-Q589 PolarHBondContact O-N 2.87Å; T587-Q589 PolarHBondContact OG1-N 2.93Å; Q589-V591 HydrophobicContact CB-CG2 4.38Å
590	K	91.6	Very high	92.7	Very high	151 Å²	151	56.2 Å²	56.2	66%	0.657	32%	0.324	S	S	*	.			trans	-93.6	120.2	171.8	-72.7	-179.3	172.2	169.4	0	110.3	E584	E584-K590 WeakPolarHBondContact OE1-CE 3.31Å; E584-K590 IonicContact OE1-NZ 2.73Å; E584-K590 PolarHBondContact OE1-NZ 2.9Å; E584-K590 WeakPolarHBondContact OE2-CE 3.45Å; E584-K590 IonicContact OE2-NZ 3.45Å; E584-K590 PolarHBondContact OE2-NZ 2.69Å
591	V	93.8	Very high	92.5	Very high	45 Å²	45	56.3 Å²	56.3	27%	0.273	33%	0.328	S	S	.	.			trans	-139.5	163.7	179.4	-149.8	0	0	0	0	109.9	V580 L583 Q589 H595	V580-V591 WeakPolarHBondContact CG2-O 3.33Å; L583-V591 HydrophobicContact CD2-CB 4.35Å; L583-V591 HydrophobicContact CD2-CG2 3.77Å; Q589-V591 HydrophobicContact CB-CG2 4.38Å; V591-H595 HydrophobicContact CG1-CB 3.99Å
592	T	94.7	Very high	92.3	Very high	94 Å²	94	60.8 Å²	60.8	58%	0.577	35%	0.347	S	S	*	.			trans	-61	145	177.4	55.1	0	0	0	0	111.7	T594 H595 A596	T592-T594 VanDerWaalsContact C-N 3.27Å; T592-T594 PolarHBondContact O-N 3.45Å; T592-T594 VanDerWaalsContact O-N 3.15Å; T592-H595 PolarHBondContact O-N 3.21Å; T592-A596 WeakPolarHBondContact O-CB 3.44Å; T592-A596 PolarHBondContact O-N 3.03Å
593	A	93.1	Very high	92.1	Very high	26 Å²	26	63.9 Å²	63.9	22%	0.215	36%	0.363	C	S	.	.	H	α-helix	trans	-57.3	-34.2	-171.6	0	0	0	0	0	114.7	H576 V580 A597	H576-A593 HydrophobicContact CB-CB 3.92Å; H576-A593 WeakPolarHBondContact O-CB 3.36Å; V580-A593 HydrophobicContact CG2-CB 3.99Å; A593-A597 WeakPolarHBondContact O-CB 3.3Å; A593-A597 PolarHBondContact O-N 3.44Å
594	T	93.3	Very high	91.8	Very high	115 Å²	115	63.8 Å²	63.8	71%	0.706	36%	0.362	S	S	*	.	H	α-helix	trans	-68.3	-43.3	175.6	47.2	0	0	0	0	112.2	T592 A598	T592-T594 VanDerWaalsContact C-N 3.27Å; T592-T594 PolarHBondContact O-N 3.45Å; T592-T594 VanDerWaalsContact O-N 3.15Å; T594-A598 PolarHBondContact O-N 2.93Å
595	H	94.6	Very high	91.5	Very high	94 Å²	94	63.5 Å²	63.5	44%	0.435	37%	0.368	S	S	.	.	H	α-helix	trans	-69.7	-38.8	175.7	-168.1	94.3	0	0	0	111.1	V591 T592 A597 A598 L599	V591-H595 HydrophobicContact CG1-CB 3.99Å; T592-H595 PolarHBondContact O-N 3.21Å; H595-A597 PolarHBondContact O-N 2.67Å; H595-A598 PolarHBondContact O-N 3.26Å; H595-L599 VanDerWaalsContact CD2-CD1 3.42Å; H595-L599 WeakPolarHBondContact CD2-CD1 3.25Å; H595-L599 WeakPolarHBondContact O-CG 3.3Å; H595-L599 PolarHBondContact O-N 3.01Å
596	A	95	Very high	91.2	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-61.1	-44.2	175.5	0	0	0	0	0	111.9	L583 T592 A598 L599 L600	L583-A596 HydrophobicContact CB-CB 4.32Å; L583-A596 HydrophobicContact CD2-CB 3.85Å; T592-A596 WeakPolarHBondContact O-CB 3.44Å; T592-A596 PolarHBondContact O-N 3.03Å; A596-A598 VanDerWaalsContact C-N 3.32Å; A596-A598 PolarHBondContact O-N 2.94Å; A596-L599 PolarHBondContact O-N 3.44Å; A596-L600 WeakPolarHBondContact O-CB 3.48Å; A596-L600 VanDerWaalsContact O-CG 3.23Å; A596-L600 WeakPolarHBondContact O-CG 3.4Å; A596-L600 PolarHBondContact O-N 3.15Å
597	A	92.9	Very high	90.7	Very high	17 Å²	17	65.1 Å²	65.1	14%	0.14	38%	0.384	C	S	.	.	H	α-helix	trans	-58.8	-41.3	173.8	0	0	0	0	0	112.7	Y579 A593 H595 A601	Y579-A597 HydrophobicContact CD1-CB 4.31Å; Y579-A597 HydrophobicContact CD2-CB 3.73Å; Y579-A597 HydrophobicContact CE1-CB 4.34Å; Y579-A597 HydrophobicContact CE2-CB 3.79Å; Y579-A597 HydrophobicContact CG-CB 3.97Å; A593-A597 WeakPolarHBondContact O-CB 3.3Å; A593-A597 PolarHBondContact O-N 3.44Å; H595-A597 PolarHBondContact O-N 2.67Å; A597-A601 WeakPolarHBondContact O-CB 3.37Å; A597-A601 PolarHBondContact O-N 2.66Å
598	A	93.6	Very high	90	Very high	62 Å²	62	64 Å²	64	51%	0.512	39%	0.385	S	S	.	.	H	α-helix	trans	-68.5	-40.3	177.5	0	0	0	0	0	112.7	T594 H595 A596 K602	T594-A598 PolarHBondContact O-N 2.93Å; H595-A598 PolarHBondContact O-N 3.26Å; A596-A598 VanDerWaalsContact C-N 3.32Å; A596-A598 PolarHBondContact O-N 2.94Å; A598-K602 WeakPolarHBondContact O-CB 3.29Å; A598-K602 PolarHBondContact O-N 3.31Å
599	L	92.8	Very high	88.9	Confident	52 Å²	52	67.8 Å²	67.8	27%	0.272	40%	0.398	S	S	.	.	H	α-helix	trans	-64.5	-45.3	173.6	-73.1	-179.3	0	0	0	111.7	L583 H595 A596 K602 L603	L583-L599 HydrophobicContact CD1-CB 4.3Å; L583-L599 HydrophobicContact CD1-CD1 4.45Å; L583-L599 HydrophobicContact CD2-CB 4.39Å; L583-L599 HydrophobicContact CD2-CD1 3.72Å; H595-L599 VanDerWaalsContact CD2-CD1 3.42Å; H595-L599 WeakPolarHBondContact CD2-CD1 3.25Å; H595-L599 WeakPolarHBondContact O-CG 3.3Å; H595-L599 PolarHBondContact O-N 3.01Å; A596-L599 PolarHBondContact O-N 3.44Å; L599-K602 PolarHBondContact O-N 2.91Å; L599-L603 VanDerWaalsContact O-CB 3.3Å; L599-L603 WeakPolarHBondContact O-CB 3.43Å; L599-L603 WeakPolarHBondContact O-CG 3.41Å; L599-L603 PolarHBondContact O-N 2.86Å
600	L	92.1	Very high	87.9	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-62.9	-45.5	177.6	-68.9	171.5	0	0	0	111.6	Y579 I582 L583 L586 A596 L603 F604 W638	Y579-L600 HydrophobicContact CD1-CD1 4.2Å; Y579-L600 WeakPolarHBondContact O-CD1 3.26Å; I582-L600 HydrophobicContact CB-CD1 3.84Å; I582-L600 HydrophobicContact CB-CD2 4.3Å; I582-L600 HydrophobicContact CD1-CD1 4.44Å; I582-L600 HydrophobicContact CG2-CD1 3.96Å; I582-L600 HydrophobicContact CG2-CD2 3.64Å; I582-L600 HydrophobicContact CG2-CG 4.47Å; L583-L600 HydrophobicContact CB-CD2 4.29Å; L583-L600 HydrophobicContact CB-CG 4.42Å; L583-L600 HydrophobicContact CD1-CD2 4.19Å; L586-L600 HydrophobicContact CD1-CD2 3.63Å; A596-L600 WeakPolarHBondContact O-CB 3.48Å; A596-L600 VanDerWaalsContact O-CG 3.23Å; A596-L600 WeakPolarHBondContact O-CG 3.4Å; A596-L600 PolarHBondContact O-N 3.15Å; L600-L603 HydrophobicContact CD2-CD1 4.42Å; L600-L603 WeakPolarHBondContact O-CB 3.39Å; L600-L603 PolarHBondContact O-N 3.41Å; L600-F604 HydrophobicContact CB-CD2 4.45Å; L600-F604 HydrophobicContact CB-CE2 4.27Å; L600-F604 HydrophobicContact CD2-CE2 4.19Å; L600-F604 WeakPolarHBondContact O-CD2 3.39Å; L600-F604 PolarHBondContact O-N 2.76Å; L600-W638 HydrophobicContact CB-CH2 3.55Å; L600-W638 HydrophobicContact CB-CZ2 3.74Å; L600-W638 HydrophobicContact CB-CZ3 4.16Å; L600-W638 HydrophobicContact CD1-CH2 3.63Å; L600-W638 HydrophobicContact CD1-CZ3 4.1Å; L600-W638 HydrophobicContact CG-CH2 4.22Å
601	A	91.1	Very high	87.3	Confident	33 Å²	33	66.9 Å²	66.9	27%	0.273	39%	0.391	S	S	.	.	H	α-helix	trans	-58.2	-50.3	173.8	0	0	0	0	0	111.5	A597 L603 F604 S605	A597-A601 WeakPolarHBondContact O-CB 3.37Å; A597-A601 PolarHBondContact O-N 2.66Å; A601-L603 VanDerWaalsContact C-N 3.29Å; A601-L603 PolarHBondContact O-N 2.73Å; A601-F604 PolarHBondContact O-N 2.93Å; A601-S605 WeakPolarHBondContact O-CB 3.22Å; A601-S605 PolarHBondContact O-N 2.84Å; A601-S605 PolarHBondContact O-OG 3.39Å; A601-S605 VanDerWaalsContact O-OG 3.06Å
602	K	89.9	Confident	86.9	Confident	147 Å²	147	70.1 Å²	70.1	64%	0.639	40%	0.401	S	S	*	.	H	α-helix	trans	-58.7	-40.5	176.2	-175.3	175.2	-179.3	177.9	0	111.9	A598 L599 T606	A598-K602 WeakPolarHBondContact O-CB 3.29Å; A598-K602 PolarHBondContact O-N 3.31Å; L599-K602 PolarHBondContact O-N 2.91Å; K602-T606 VanDerWaalsContact O-CB 3.28Å; K602-T606 WeakPolarHBondContact O-CB 3.4Å; K602-T606 PolarHBondContact O-N 3.29Å; K602-T606 PolarHBondContact O-OG1 2.9Å
603	L	88	Confident	86.7	Confident	68 Å²	68	66.1 Å²	66.1	36%	0.356	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-51.2	176.1	-78.3	166.1	0	0	0	111.1	L583 L599 L600 A601 R611	L583-L603 HydrophobicContact CD1-CD1 4.19Å; L599-L603 VanDerWaalsContact O-CB 3.3Å; L599-L603 WeakPolarHBondContact O-CB 3.43Å; L599-L603 WeakPolarHBondContact O-CG 3.41Å; L599-L603 PolarHBondContact O-N 2.86Å; L600-L603 HydrophobicContact CD2-CD1 4.42Å; L600-L603 WeakPolarHBondContact O-CB 3.39Å; L600-L603 PolarHBondContact O-N 3.41Å; A601-L603 VanDerWaalsContact C-N 3.29Å; A601-L603 PolarHBondContact O-N 2.73Å; L603-R611 PolarHBondContact O-NH1 3.43Å; L603-R611 PolarHBondContact O-NH2 2.9Å; L603-R611 VanDerWaalsContact O-NH2 3.17Å
604	F	88.3	Confident	86.6	Confident	1 Å²	1	65.1 Å²	65.1	0%	0.004	37%	0.368	C	S	.	.	H	α-helix	trans	-73.8	-28.5	-177.1	-66.5	-62.7	0	0	0	113.8	L586 L600 A601 R611 W638 S644 L646	L586-F604 HydrophobicContact CD1-CZ 4.14Å; L600-F604 HydrophobicContact CB-CD2 4.45Å; L600-F604 HydrophobicContact CB-CE2 4.27Å; L600-F604 HydrophobicContact CD2-CE2 4.19Å; L600-F604 WeakPolarHBondContact O-CD2 3.39Å; L600-F604 PolarHBondContact O-N 2.76Å; A601-F604 PolarHBondContact O-N 2.93Å; F604-R611 VanDerWaalsContact CE1-NH2 3.35Å; F604-W638 HydrophobicContact CB-CB 4.11Å; F604-W638 HydrophobicContact CB-CG 4.31Å; F604-W638 HydrophobicContact CD2-CB 3.93Å; F604-W638 AromaticContact CD2-CD2 3.67Å; F604-W638 HydrophobicContact CD2-CD2 3.67Å; F604-W638 AromaticContact CD2-CE3 3.77Å; F604-W638 HydrophobicContact CD2-CE3 3.77Å; F604-W638 AromaticContact CD2-CG 3.77Å; F604-W638 HydrophobicContact CD2-CG 3.77Å; F604-W638 HydrophobicContact CD2-CZ3 4.47Å; F604-W638 HydrophobicContact CE2-CD2 4.09Å; F604-W638 AromaticContact CE2-CE3 3.67Å; F604-W638 HydrophobicContact CE2-CE3 3.67Å; F604-W638 HydrophobicContact CE2-CZ3 4.1Å; F604-W638 HydrophobicContact CG-CB 4.05Å; F604-W638 HydrophobicContact CG-CG 4.29Å; F604-S644 WeakPolarHBondContact CD1-OG 3.47Å; F604-L646 HydrophobicContact CD1-CB 4Å; F604-L646 HydrophobicContact CD1-CD2 4.09Å; F604-L646 HydrophobicContact CD2-CD2 4.33Å; F604-L646 HydrophobicContact CE1-CB 3.82Å; F604-L646 HydrophobicContact CE1-CD1 3.9Å; F604-L646 HydrophobicContact CE1-CD2 3.79Å; F604-L646 HydrophobicContact CE1-CG 4.04Å; F604-L646 HydrophobicContact CE2-CD2 4.03Å; F604-L646 HydrophobicContact CG-CD2 4.39Å; F604-L646 HydrophobicContact CZ-CD1 3.97Å; F604-L646 HydrophobicContact CZ-CD2 3.77Å; F604-L646 HydrophobicContact CZ-CG 4.32Å
605	S	86.9	Confident	86.7	Confident	60 Å²	60	59.7 Å²	59.7	42%	0.42	34%	0.335	S	S	.	.	H	α-helix	trans	-78.3	-32.3	176.3	-58.2	0	0	0	0	114.2	A601 Q641	A601-S605 WeakPolarHBondContact O-CB 3.22Å; A601-S605 PolarHBondContact O-N 2.84Å; A601-S605 PolarHBondContact O-OG 3.39Å; A601-S605 VanDerWaalsContact O-OG 3.06Å; S605-Q641 VanDerWaalsContact CA-OE1 3.29Å; S605-Q641 PolarHBondContact OG-OE1 2.91Å
606	T	85.9	Confident	86.7	Confident	74 Å²	74	55.3 Å²	55.3	45%	0.454	31%	0.314	S	S	.	.	S	Bend	trans	-83.6	124.5	-174.6	-49.1	0	0	0	0	111.2	K602 G608	K602-T606 VanDerWaalsContact O-CB 3.28Å; K602-T606 WeakPolarHBondContact O-CB 3.4Å; K602-T606 PolarHBondContact O-N 3.29Å; K602-T606 PolarHBondContact O-OG1 2.9Å; T606-G608 PolarHBondContact O-N 3.32Å
607	P	78.5	Confident	86.8	Confident	81 Å²	81	55.3 Å²	55.3	53%	0.526	31%	0.314	S	S	.	.			trans	-65.5	127.7	173.8	26.5	-32.7	0	0	0	111	H643	P607-H643 HydrophobicContact CB-CB 4Å
608	G	74.6	Confident	86.9	Confident	38 Å²	38	54.6 Å²	54.6	39%	0.392	31%	0.309	S	S	.	.			trans	-128	117.2	178.2	0	0	0	0	0	111	T606 K610 R611	T606-G608 PolarHBondContact O-N 3.32Å; G608-K610 PolarHBondContact O-N 2.73Å; G608-K610 VanDerWaalsContact O-N 3.15Å; G608-R611 WeakPolarHBondContact O-CB 3.22Å; G608-R611 PolarHBondContact O-N 2.86Å
609	P	66	Low	86.9	Confident	145 Å²	145	52.3 Å²	52.3	94%	0.942	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.9	-171	25.2	-34.6	0	0	0	114.3
610	K	69.8	Low	86.9	Confident	204 Å²	204	52.5 Å²	52.5	89%	0.887	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	18.1	175.2	-65.3	-168.8	175.2	-173.1	0	113.9	G608 K612	G608-K610 PolarHBondContact O-N 2.73Å; G608-K610 VanDerWaalsContact O-N 3.15Å; K610-K612 PolarHBondContact O-N 2.6Å
611	R	78.5	Confident	86.9	Confident	49 Å²	49	52.5 Å²	52.5	19%	0.185	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-73.9	116.8	-179.8	-154.4	-148.5	-160.1	83.7	2	111.2	L603 F604 G608 K645	L603-R611 PolarHBondContact O-NH1 3.43Å; L603-R611 PolarHBondContact O-NH2 2.9Å; L603-R611 VanDerWaalsContact O-NH2 3.17Å; F604-R611 VanDerWaalsContact CE1-NH2 3.35Å; G608-R611 WeakPolarHBondContact O-CB 3.22Å; G608-R611 PolarHBondContact O-N 2.86Å; R611-K645 PolarHBondContact O-NZ 2.97Å
612	K	84.8	Confident	86.8	Confident	113 Å²	113	52.6 Å²	52.6	49%	0.491	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-63.2	156.9	162.1	-65	-158.9	175.6	-149.8	0	110.5	S561 K610	S561-K612 PolarHBondContact OG-NZ 3.18Å; K610-K612 PolarHBondContact O-N 2.6Å
613	S	90.1	Very high	86.8	Confident	9 Å²	9	49.3 Å²	49.3	6%	0.063	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	144.4	167.3	-57.8	0	0	0	0	109.8	F562 Q563 K645	F562-S613 CarbonylContact C-O 3.55Å; F562-S613 WeakPolarHBondContact CA-O 3.06Å; F562-S613 WeakPolarHBondContact CB-O 3.35Å; Q563-S613 PolarHBondContact N-O 3.01Å; S613-K645 WeakPolarHBondContact CA-O 3.31Å
614	T	92.6	Very high	86.9	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125	178.5	-53.3	0	0	0	0	109.2	Q563 I565 L586 K645 L646 I647	Q563-T614 WeakPolarHBondContact O-CA 3.47Å; I565-T614 HydrophobicContact CD1-CG2 3.82Å; I565-T614 HydrophobicContact CG1-CG2 4.3Å; L586-T614 HydrophobicContact CD2-CG2 4.1Å; T614-K645 PolarHBondContact N-O 2.91Å; T614-L646 HydrophobicContact CG2-CD1 3.95Å; T614-I647 PolarHBondContact O-N 3.31Å
615	L	94.8	Very high	86.8	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.4	172.4	-177.8	62.6	0	0	0	109	V517 I547 F562 Q563 I565 I647 L649	V517-L615 HydrophobicContact CG1-CD1 3.96Å; V517-L615 HydrophobicContact CG1-CD2 4Å; V517-L615 HydrophobicContact CG2-CD1 4.28Å; I547-L615 HydrophobicContact CD1-CD2 3.77Å; I547-L615 HydrophobicContact CD1-CG 4.48Å; I547-L615 HydrophobicContact CG1-CD2 3.7Å; F562-L615 HydrophobicContact CD2-CB 3.91Å; F562-L615 HydrophobicContact CD2-CD2 4.36Å; F562-L615 HydrophobicContact CE2-CB 4.22Å; F562-L615 HydrophobicContact CE2-CD2 3.85Å; Q563-L615 PolarHBondContact O-N 3Å; I565-L615 PolarHBondContact N-O 3.38Å; L615-I647 WeakPolarHBondContact CA-O 3.44Å; L615-I647 HydrophobicContact CD1-CB 3.79Å; L615-I647 HydrophobicContact CD1-CG2 3.59Å; L615-L649 HydrophobicContact CD1-CD1 4.15Å; L615-L649 HydrophobicContact CD1-CG 4.09Å
616	L	95.4	Very high	86.8	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	113.4	-177.3	174.5	64.3	0	0	0	110.2	I565 I567 I582 V618 L635 L646 I647 I648 L649	I565-L616 HydrophobicContact CB-CD1 3.94Å; I565-L616 HydrophobicContact CG2-CD1 3.55Å; I565-L616 CarbonylContact O-C 3.6Å; I565-L616 WeakPolarHBondContact O-CA 3.46Å; I567-L616 HydrophobicContact CD1-CD1 4.29Å; I567-L616 HydrophobicContact CG1-CD1 4.38Å; I582-L616 HydrophobicContact CD1-CD2 3.98Å; I582-L616 HydrophobicContact CG1-CD1 4.38Å; I582-L616 HydrophobicContact CG1-CD2 4.41Å; L616-V618 HydrophobicContact CD1-CG2 4.46Å; L616-V618 HydrophobicContact CD2-CG2 4.13Å; L616-V618 HydrophobicContact CG-CG2 3.97Å; L616-L635 HydrophobicContact CD2-CD2 4.21Å; L616-L646 HydrophobicContact CB-CD1 4.13Å; L616-I647 PolarHBondContact N-O 2.88Å; L616-I648 HydrophobicContact CB-CG1 4.41Å; L616-I648 HydrophobicContact CD2-CD1 4.32Å; L616-I648 HydrophobicContact CD2-CG1 4.33Å; L616-I648 WeakPolarHBondContact O-CA 3.5Å; L616-L649 PolarHBondContact O-N 3.21Å
617	I	96.1	Very high	86.6	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	136	161.5	-57.4	169.1	0	0	0	108.5	V543 I547 F564 I565 E566 I567 D619 L649 I651	V543-I617 HydrophobicContact CG1-CD1 3.79Å; V543-I617 HydrophobicContact CG1-CG1 3.95Å; I547-I617 HydrophobicContact CD1-CD1 3.67Å; I547-I617 HydrophobicContact CD1-CG1 3.89Å; F564-I617 HydrophobicContact CE2-CD1 3.56Å; F564-I617 HydrophobicContact CE2-CG1 3.91Å; F564-I617 HydrophobicContact CZ-CD1 3.78Å; I565-I617 PolarHBondContact O-N 2.82Å; E566-I617 HydrophobicContact CG-CB 4.45Å; E566-I617 HydrophobicContact CG-CD1 4.38Å; I567-I617 PolarHBondContact N-O 3.49Å; I617-D619 HydrophobicContact CG2-CB 4.23Å; I617-L649 WeakPolarHBondContact CA-O 3.27Å; I617-I651 HydrophobicContact CG2-CD1 4.03Å; I617-I651 HydrophobicContact CG2-CG1 4.48Å
618	V	94.4	Very high	86.8	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	96.8	161.8	-173.6	0	0	0	0	107.8	I567 L616 L621 L624 I648 L649 I651	I567-V618 CarbonylContact O-C 3.55Å; I567-V618 WeakPolarHBondContact O-CA 3.28Å; L616-V618 HydrophobicContact CD1-CG2 4.46Å; L616-V618 HydrophobicContact CD2-CG2 4.13Å; L616-V618 HydrophobicContact CG-CG2 3.97Å; V618-L621 HydrophobicContact CG1-CB 4.32Å; V618-L621 HydrophobicContact CG1-CD1 3.95Å; V618-L624 HydrophobicContact CG1-CD1 3.57Å; V618-I648 HydrophobicContact CG2-CG2 4.35Å; V618-L649 PolarHBondContact N-O 3.31Å; V618-I651 PolarHBondContact O-N 3.03Å
619	D	95.1	Very high	87.2	Confident	14 Å²	14	62 Å²	62	8%	0.075	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	150.1	176.3	-159.9	4.2	0	0	0	111.4	T540 I567 N568 G569 I617 L621 I651	T540-D619 WeakPolarHBondContact CB-OD2 3.2Å; T540-D619 WeakPolarHBondContact CG2-OD2 3.5Å; T540-D619 PolarHBondContact OG1-OD2 3.44Å; I567-D619 PolarHBondContact O-N 2.75Å; N568-D619 CarbonylContact C-O 3.59Å; N568-D619 WeakPolarHBondContact CA-O 3.41Å; N568-D619 HydrophobicContact CB-CB 4.28Å; G569-D619 PolarHBondContact N-O 3.14Å; I617-D619 HydrophobicContact CG2-CB 4.23Å; D619-L621 VanDerWaalsContact C-N 3.26Å; D619-L621 PolarHBondContact O-N 2.78Å; D619-I651 HydrophobicContact CB-CB 4.46Å; D619-I651 HydrophobicContact CB-CD1 4.42Å; D619-I651 WeakPolarHBondContact OD1-CB 3.33Å; D619-I651 WeakPolarHBondContact OD1-CG2 3.47Å
620	E	92.8	Very high	88.2	Confident	55 Å²	55	59 Å²	59	26%	0.257	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	46.9	-171.8	-56.9	-172.9	-110.6	0	0	112.6	N568 M570 D622 L623 I651	N568-E620 PolarHBondContact ND2-OE1 3.13Å; N568-E620 VanDerWaalsContact ND2-OE1 3.08Å; M570-E620 WeakPolarHBondContact CG-OE1 3.33Å; M570-E620 WeakPolarHBondContact CG-OE2 3.49Å; E620-D622 PolarHBondContact O-N 2.79Å; E620-L623 HydrophobicContact CB-CD1 3.75Å; E620-L623 HydrophobicContact CB-CG 4.43Å; E620-L623 WeakPolarHBondContact O-CB 3.39Å; E620-L623 PolarHBondContact O-N 3.44Å; E620-I651 PolarHBondContact N-O 3.27Å
621	L	90.6	Very high	89.1	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-54.3	-25.3	178.3	174	65.7	0	0	0	113.1	Y530 V618 D619 L623 L624 M632 F636 A650 I651 A652 L657	Y530-L621 HydrophobicContact CD2-CD2 4.48Å; Y530-L621 HydrophobicContact CE2-CD2 4.21Å; V618-L621 HydrophobicContact CG1-CB 4.32Å; V618-L621 HydrophobicContact CG1-CD1 3.95Å; D619-L621 VanDerWaalsContact C-N 3.26Å; D619-L621 PolarHBondContact O-N 2.78Å; L621-L623 PolarHBondContact O-N 3.41Å; L621-L623 VanDerWaalsContact O-N 3.1Å; L621-L624 HydrophobicContact CD1-CB 4.23Å; L621-L624 HydrophobicContact CD1-CD1 4.11Å; L621-L624 PolarHBondContact O-N 3.47Å; L621-M632 HydrophobicContact CD1-CG 4.11Å; L621-M632 HydrophobicContact CD1-SD 4.35Å; L621-F636 HydrophobicContact CD2-CE2 3.88Å; L621-F636 HydrophobicContact CD2-CZ 3.59Å; L621-A650 HydrophobicContact CD2-CB 3.73Å; L621-I651 WeakPolarHBondContact CB-O 3.42Å; L621-I651 PolarHBondContact N-O 3.09Å; L621-A652 HydrophobicContact CB-CB 4.43Å; L621-L657 HydrophobicContact CD2-CD2 4.18Å; L621-L657 HydrophobicContact CG-CD2 4.27Å
622	D	89.6	Confident	89.5	Confident	35 Å²	35	46.9 Å²	46.9	19%	0.187	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-50.8	-34.4	175.4	-26.1	64.3	0	0	0	111.6	E620 W625 N653 T654 L657	E620-D622 PolarHBondContact O-N 2.79Å; D622-W625 VanDerWaalsContact O-CB 3.29Å; D622-W625 WeakPolarHBondContact O-CB 3.46Å; D622-W625 PolarHBondContact O-N 2.98Å; D622-N653 PolarHBondContact OD1-N 2.83Å; D622-N653 PolarHBondContact OD2-N 3.42Å; D622-T654 PolarHBondContact OD2-N 3.05Å; D622-T654 PolarHBondContact OD2-OG1 2.91Å; D622-L657 HydrophobicContact CB-CD1 4.18Å
623	L	90.5	Very high	89.6	Confident	77 Å²	77	45.2 Å²	45.2	40%	0.403	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-79.4	-18.6	-177	-60	167	0	0	0	113.7	M570 E620 L621 W625	M570-L623 HydrophobicContact CB-CD1 4.28Å; M570-L623 HydrophobicContact CG-CD1 3.42Å; M570-L623 VanDerWaalsContact CG-CD1 3.42Å; M570-L623 HydrophobicContact SD-CD1 3.4Å; M570-L623 WeakPolarHBondContact SD-CD1 3.34Å; M570-L623 HydrophobicContact SD-CD2 4.42Å; E620-L623 HydrophobicContact CB-CD1 3.75Å; E620-L623 HydrophobicContact CB-CG 4.43Å; E620-L623 WeakPolarHBondContact O-CB 3.39Å; E620-L623 PolarHBondContact O-N 3.44Å; L621-L623 PolarHBondContact O-N 3.41Å; L621-L623 VanDerWaalsContact O-N 3.1Å; L623-W625 PolarHBondContact O-N 3.04Å
624	L	88.9	Confident	89.6	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-80.5	4.1	172.4	-59.1	-175.3	0	0	0	112.5	L572 P575 A578 V618 L621 V631 M632 L635	L572-L624 HydrophobicContact CD1-CD2 3.69Å; P575-L624 HydrophobicContact CB-CD2 4.07Å; A578-L624 HydrophobicContact CB-CD1 4.39Å; A578-L624 HydrophobicContact CB-CD2 4.28Å; V618-L624 HydrophobicContact CG1-CD1 3.57Å; L621-L624 HydrophobicContact CD1-CB 4.23Å; L621-L624 HydrophobicContact CD1-CD1 4.11Å; L621-L624 PolarHBondContact O-N 3.47Å; L624-V631 HydrophobicContact CB-CG1 4.26Å; L624-V631 HydrophobicContact CD1-CG1 4.3Å; L624-M632 HydrophobicContact CB-CG 4.48Å; L624-L635 HydrophobicContact CD1-CD1 4.01Å
625	W	86.6	Confident	89.4	Confident	121 Å²	121	47 Å²	47	46%	0.458	21%	0.209	S	C	.	.			trans	-65.1	136.1	171.5	-179.5	66.4	0	0	0	111.9	D622 L623 I661	D622-W625 VanDerWaalsContact O-CB 3.29Å; D622-W625 WeakPolarHBondContact O-CB 3.46Å; D622-W625 PolarHBondContact O-N 2.98Å; L623-W625 PolarHBondContact O-N 3.04Å; W625-I661 HydrophobicContact CG-CG2 4.1Å
626	T	86.4	Confident	89.1	Confident	28 Å²	28	47 Å²	47	17%	0.172	21%	0.209	C	C	.	.			trans	-140.2	155.5	171.4	54	0	0	0	0	108.4	P575 K628 Q629	P575-T626 HydrophobicContact CB-CG2 3.9Å; P575-T626 HydrophobicContact CG-CG2 3.79Å; T626-K628 PolarHBondContact O-N 2.76Å; T626-Q629 VanDerWaalsContact O-CG 3.25Å; T626-Q629 WeakPolarHBondContact O-CG 3.41Å; T626-Q629 PolarHBondContact O-N 3.36Å; T626-Q629 PolarHBondContact OG1-N 3.34Å; T626-Q629 VanDerWaalsContact OG1-N 3.13Å
627	R	83.1	Confident	88.7	Confident	237 Å²	237	48.3 Å²	48.3	89%	0.894	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-29	177.3	-64	-175.8	-175.2	176.9	1.5	113.5
628	K	82.8	Confident	88.4	Confident	165 Å²	165	48.5 Å²	48.5	72%	0.717	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-18.4	176.9	-64.8	-175.7	178.6	179.1	0	113.9	T626 N630	T626-K628 PolarHBondContact O-N 2.76Å; K628-N630 PolarHBondContact O-N 3.27Å; K628-N630 PolarHBondContact O-OD1 2.73Å
629	Q	82.8	Confident	88.2	Confident	36 Å²	36	48.8 Å²	48.8	17%	0.168	22%	0.219	C	C	.	.			trans	61.2	4.9	177.3	-50	-176.6	11.8	0	0	116.8	T626 V631 M632 Y633 I661	T626-Q629 VanDerWaalsContact O-CG 3.25Å; T626-Q629 WeakPolarHBondContact O-CG 3.41Å; T626-Q629 PolarHBondContact O-N 3.36Å; T626-Q629 PolarHBondContact OG1-N 3.34Å; T626-Q629 VanDerWaalsContact OG1-N 3.13Å; Q629-V631 PolarHBondContact O-N 2.79Å; Q629-V631 VanDerWaalsContact O-N 3.08Å; Q629-M632 HydrophobicContact CB-CE 4.37Å; Q629-M632 HydrophobicContact CG-CE 4.4Å; Q629-M632 PolarHBondContact O-N 3.36Å; Q629-Y633 PolarHBondContact O-N 3.2Å; Q629-I661 PolarHBondContact NE2-O 3.39Å; Q629-I661 PolarHBondContact OE1-O 3.46Å
630	N	87.1	Confident	87.8	Confident	81 Å²	81	51.6 Å²	51.6	43%	0.433	24%	0.236	S	C	.	.	H	α-helix	trans	-50.2	-38.4	-175.8	-65.7	7.1	0	0	0	114.3	Y579 K628 N634	Y579-N630 PolarHBondContact OH-O 3.1Å; K628-N630 PolarHBondContact O-N 3.27Å; K628-N630 PolarHBondContact O-OD1 2.73Å; N630-N634 WeakPolarHBondContact O-CB 3.47Å; N630-N634 PolarHBondContact O-N 3.36Å
631	V	89.3	Confident	87.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-56.4	-179	-179.1	0	0	0	0	110.8	P575 Y579 L624 Q629 Y633 N634 L635	P575-V631 HydrophobicContact CB-CG2 4.07Å; Y579-V631 HydrophobicContact CE2-CG2 4.25Å; Y579-V631 WeakPolarHBondContact OH-CA 3.18Å; L624-V631 HydrophobicContact CB-CG1 4.26Å; L624-V631 HydrophobicContact CD1-CG1 4.3Å; Q629-V631 PolarHBondContact O-N 2.79Å; Q629-V631 VanDerWaalsContact O-N 3.08Å; V631-Y633 VanDerWaalsContact C-N 3.34Å; V631-Y633 PolarHBondContact O-N 2.82Å; V631-N634 PolarHBondContact O-N 3.11Å; V631-L635 HydrophobicContact CG1-CD1 4.07Å; V631-L635 WeakPolarHBondContact O-CG 3.49Å; V631-L635 PolarHBondContact O-N 3.3Å
632	M	86.8	Confident	87	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.1	-39.1	177.1	-55.5	-169.6	-60	0	0	112.1	L621 L624 Q629 N634 L635 F636 L657 I661 M662	L621-M632 HydrophobicContact CD1-CG 4.11Å; L621-M632 HydrophobicContact CD1-SD 4.35Å; L624-M632 HydrophobicContact CB-CG 4.48Å; Q629-M632 HydrophobicContact CB-CE 4.37Å; Q629-M632 HydrophobicContact CG-CE 4.4Å; Q629-M632 PolarHBondContact O-N 3.36Å; M632-N634 PolarHBondContact O-N 3.42Å; M632-L635 PolarHBondContact O-N 2.93Å; M632-F636 HydrophobicContact CB-CD2 4.48Å; M632-F636 HydrophobicContact CB-CE2 4.46Å; M632-F636 WeakPolarHBondContact O-CD2 3.06Å; M632-F636 PolarHBondContact O-N 3.36Å; M632-F636 VanDerWaalsContact O-N 3.11Å; M632-L657 HydrophobicContact SD-CD2 4.06Å; M632-I661 HydrophobicContact CE-CG2 4.37Å; M632-M662 HydrophobicContact CB-CE 4.14Å; M632-M662 HydrophobicContact CE-CG 4.02Å
633	Y	86.6	Confident	86.7	Confident	77 Å²	77	63.6 Å²	63.6	30%	0.302	29%	0.288	S	S	.	.	H	α-helix	trans	-56.4	-51.5	176.9	178.7	-82.6	0	0	0	111.3	Q629 V631 F636 D637 V666 R669	Q629-Y633 PolarHBondContact O-N 3.2Å; V631-Y633 VanDerWaalsContact C-N 3.34Å; V631-Y633 PolarHBondContact O-N 2.82Å; Y633-F636 PolarHBondContact O-N 3.1Å; Y633-D637 HydrophobicContact CD1-CB 4.48Å; Y633-D637 HydrophobicContact CE1-CB 4.04Å; Y633-D637 WeakPolarHBondContact O-CB 3.45Å; Y633-D637 PolarHBondContact O-N 3.39Å; Y633-D637 PolarHBondContact OH-OD1 2.99Å; Y633-V666 HydrophobicContact CD2-CG2 3.49Å; Y633-V666 VanDerWaalsContact CD2-CG2 3.49Å; Y633-V666 HydrophobicContact CE2-CG2 4.05Å; Y633-V666 HydrophobicContact CG-CG2 4.38Å; Y633-R669 PolarHBondContact OH-NH1 3.29Å; Y633-R669 PolarHBondContact OH-NH2 2.92Å
634	N	89.2	Confident	86.5	Confident	49 Å²	49	60.1 Å²	60.1	26%	0.262	27%	0.27	S	S	.	.	H	α-helix	trans	-65.7	-43.6	-177.8	-75.3	-15.4	0	0	0	111.9	Y579 N630 V631 M632 F636 D637 W638	Y579-N634 HydrophobicContact CE1-CB 4.34Å; Y579-N634 PolarHBondContact OH-ND2 3.35Å; N630-N634 WeakPolarHBondContact O-CB 3.47Å; N630-N634 PolarHBondContact O-N 3.36Å; V631-N634 PolarHBondContact O-N 3.11Å; M632-N634 PolarHBondContact O-N 3.42Å; N634-F636 VanDerWaalsContact C-N 3.3Å; N634-F636 PolarHBondContact O-N 2.67Å; N634-D637 PolarHBondContact O-N 3.35Å; N634-D637 VanDerWaalsContact O-N 3.09Å; N634-W638 HydrophobicContact CB-CZ2 4.05Å; N634-W638 VanDerWaalsContact O-CG 3.25Å; N634-W638 PolarHBondContact O-N 2.94Å; N634-W638 VanDerWaalsContact O-N 3.1Å
635	L	89.4	Confident	86.6	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-53.8	-45.9	175.8	-73.4	170.1	0	0	0	111.5	I582 L616 L624 V631 M632 W638 P639 I648	I582-L635 HydrophobicContact CD1-CD2 3.72Å; L616-L635 HydrophobicContact CD2-CD2 4.21Å; L624-L635 HydrophobicContact CD1-CD1 4.01Å; V631-L635 HydrophobicContact CG1-CD1 4.07Å; V631-L635 WeakPolarHBondContact O-CG 3.49Å; V631-L635 PolarHBondContact O-N 3.3Å; M632-L635 PolarHBondContact O-N 2.93Å; L635-W638 HydrophobicContact CD2-CE3 4.41Å; L635-W638 HydrophobicContact CD2-CZ3 4.03Å; L635-P639 WeakPolarHBondContact O-CD 3.35Å; L635-I648 WeakPolarHBondContact O-CD1 3.45Å
636	F	87.9	Confident	86.8	Confident	2 Å²	2	58 Å²	58	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-88.2	-1.1	179.4	-61.4	-59.9	0	0	0	114.9	C528 L621 M632 Y633 N634 I648 A650 M662 V666 L670	C528-F636 HydrophobicContact CB-CD1 3.98Å; C528-F636 HydrophobicContact CB-CE1 4.3Å; L621-F636 HydrophobicContact CD2-CE2 3.88Å; L621-F636 HydrophobicContact CD2-CZ 3.59Å; M632-F636 HydrophobicContact CB-CD2 4.48Å; M632-F636 HydrophobicContact CB-CE2 4.46Å; M632-F636 WeakPolarHBondContact O-CD2 3.06Å; M632-F636 PolarHBondContact O-N 3.36Å; M632-F636 VanDerWaalsContact O-N 3.11Å; Y633-F636 PolarHBondContact O-N 3.1Å; N634-F636 VanDerWaalsContact C-N 3.3Å; N634-F636 PolarHBondContact O-N 2.67Å; F636-I648 HydrophobicContact CE1-CG2 4.4Å; F636-A650 HydrophobicContact CE1-CB 3.9Å; F636-A650 HydrophobicContact CZ-CB 3.73Å; F636-M662 HydrophobicContact CD2-CE 3.39Å; F636-M662 HydrophobicContact CE2-CE 3.55Å; F636-M662 HydrophobicContact CE2-SD 4.36Å; F636-M662 HydrophobicContact CG-CE 4.5Å; F636-V666 HydrophobicContact CB-CG1 3.55Å; F636-V666 HydrophobicContact CD2-CG1 3.95Å; F636-V666 HydrophobicContact CG-CG1 4.12Å; F636-L670 HydrophobicContact CD1-CD1 4.36Å; F636-L670 HydrophobicContact CD1-CD2 3.68Å; F636-L670 HydrophobicContact CD1-CG 4.22Å; F636-L670 HydrophobicContact CD2-CD1 3.98Å; F636-L670 HydrophobicContact CE1-CD1 4.36Å; F636-L670 HydrophobicContact CE1-CD2 3.62Å; F636-L670 HydrophobicContact CE1-CG 4.44Å; F636-L670 HydrophobicContact CE2-CD1 3.96Å; F636-L670 HydrophobicContact CG-CD1 4.16Å; F636-L670 HydrophobicContact CG-CD2 4.25Å; F636-L670 HydrophobicContact CG-CG 4.3Å; F636-L670 HydrophobicContact CZ-CD1 4.14Å; F636-L670 HydrophobicContact CZ-CD2 4.12Å
637	D	87.3	Confident	87.1	Confident	28 Å²	28	56.9 Å²	56.9	15%	0.15	26%	0.257	C	S	.	.	H	α-helix	trans	-84.1	-46.1	169.2	-165	99.4	0	0	0	110.5	Y633 N634 T640 Q641 R669	Y633-D637 HydrophobicContact CD1-CB 4.48Å; Y633-D637 HydrophobicContact CE1-CB 4.04Å; Y633-D637 WeakPolarHBondContact O-CB 3.45Å; Y633-D637 PolarHBondContact O-N 3.39Å; Y633-D637 PolarHBondContact OH-OD1 2.99Å; N634-D637 PolarHBondContact O-N 3.35Å; N634-D637 VanDerWaalsContact O-N 3.09Å; D637-T640 WeakPolarHBondContact O-CB 3.46Å; D637-T640 PolarHBondContact O-N 3.46Å; D637-T640 PolarHBondContact O-OG1 3.06Å; D637-Q641 PolarHBondContact OD2-NE2 3.06Å; D637-R669 IonicContact OD1-CZ 2.93Å; D637-R669 IonicContact OD1-NH1 3.15Å; D637-R669 PolarHBondContact OD1-NH1 3.42Å; D637-R669 IonicContact OD1-NH2 3.73Å; D637-R669 PolarHBondContact OD1-NH2 3.4Å
638	W	90.1	Very high	87.6	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.015	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-56.1	-39.2	-173.3	-59.9	-24.3	0	0	0	115.6	Y579 I582 L600 F604 N634 L635 T640 Q641 S644 L646	Y579-W638 AromaticContact CD1-CH2 3.67Å; Y579-W638 HydrophobicContact CD1-CH2 3.67Å; Y579-W638 HydrophobicContact CD1-CZ2 4.41Å; Y579-W638 AromaticContact CE1-CH2 3.63Å; Y579-W638 HydrophobicContact CE1-CH2 3.63Å; Y579-W638 HydrophobicContact CE1-CZ2 4.07Å; I582-W638 HydrophobicContact CD1-CZ3 4Å; L600-W638 HydrophobicContact CB-CH2 3.55Å; L600-W638 HydrophobicContact CB-CZ2 3.74Å; L600-W638 HydrophobicContact CB-CZ3 4.16Å; L600-W638 HydrophobicContact CD1-CH2 3.63Å; L600-W638 HydrophobicContact CD1-CZ3 4.1Å; L600-W638 HydrophobicContact CG-CH2 4.22Å; F604-W638 HydrophobicContact CB-CB 4.11Å; F604-W638 HydrophobicContact CB-CG 4.31Å; F604-W638 HydrophobicContact CD2-CB 3.93Å; F604-W638 AromaticContact CD2-CD2 3.67Å; F604-W638 HydrophobicContact CD2-CD2 3.67Å; F604-W638 AromaticContact CD2-CE3 3.77Å; F604-W638 HydrophobicContact CD2-CE3 3.77Å; F604-W638 AromaticContact CD2-CG 3.77Å; F604-W638 HydrophobicContact CD2-CG 3.77Å; F604-W638 HydrophobicContact CD2-CZ3 4.47Å; F604-W638 HydrophobicContact CE2-CD2 4.09Å; F604-W638 AromaticContact CE2-CE3 3.67Å; F604-W638 HydrophobicContact CE2-CE3 3.67Å; F604-W638 HydrophobicContact CE2-CZ3 4.1Å; F604-W638 HydrophobicContact CG-CB 4.05Å; F604-W638 HydrophobicContact CG-CG 4.29Å; N634-W638 HydrophobicContact CB-CZ2 4.05Å; N634-W638 VanDerWaalsContact O-CG 3.25Å; N634-W638 PolarHBondContact O-N 2.94Å; N634-W638 VanDerWaalsContact O-N 3.1Å; L635-W638 HydrophobicContact CD2-CE3 4.41Å; L635-W638 HydrophobicContact CD2-CZ3 4.03Å; W638-T640 PolarHBondContact O-N 2.7Å; W638-Q641 PolarHBondContact O-N 3.04Å; W638-S644 WeakPolarHBondContact O-CB 3.49Å; W638-S644 PolarHBondContact O-OG 2.86Å; W638-L646 HydrophobicContact CB-CD2 3.72Å; W638-L646 HydrophobicContact CE3-CD2 4.26Å
639	P	89.9	Confident	88.2	Confident	9 Å²	9	37.8 Å²	37.8	6%	0.058	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-67	-21.2	174.2	-25.1	36.5	0	0	0	114.4	G527 C528 L635 Q641 L646 I648	G527-P639 WeakPolarHBondContact O-CB 3.39Å; C528-P639 HydrophobicContact CB-CG 4.44Å; L635-P639 WeakPolarHBondContact O-CD 3.35Å; P639-Q641 VanDerWaalsContact C-N 3.29Å; P639-L646 WeakPolarHBondContact CB-O 3.2Å; P639-L646 HydrophobicContact CG-CD2 4.13Å; P639-L646 HydrophobicContact CG-CG 4.29Å; P639-I648 HydrophobicContact CG-CD1 3.5Å; P639-I648 HydrophobicContact CG-CG1 3.76Å
640	T	86.3	Confident	88.7	Confident	73 Å²	73	36 Å²	36	45%	0.448	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-84.9	-3.4	-177.9	70.4	0	0	0	0	113.4	D637 W638 R669	D637-T640 WeakPolarHBondContact O-CB 3.46Å; D637-T640 PolarHBondContact O-N 3.46Å; D637-T640 PolarHBondContact O-OG1 3.06Å; W638-T640 PolarHBondContact O-N 2.7Å; T640-R669 HydrophobicContact CG2-CB 4.37Å; T640-R669 HydrophobicContact CG2-CG 4.21Å
641	Q	85.9	Confident	89.1	Confident	38 Å²	38	32.2 Å²	32.2	18%	0.178	15%	0.152	C	C	.	.	S	Bend	trans	-84.6	130.5	-178	-56.5	-175.9	2	0	0	110.4	S605 D637 W638 P639 H643 S644	S605-Q641 VanDerWaalsContact CA-OE1 3.29Å; S605-Q641 PolarHBondContact OG-OE1 2.91Å; D637-Q641 PolarHBondContact OD2-NE2 3.06Å; W638-Q641 PolarHBondContact O-N 3.04Å; P639-Q641 VanDerWaalsContact C-N 3.29Å; Q641-H643 PolarHBondContact O-N 2.81Å; Q641-S644 VanDerWaalsContact O-CB 3.29Å; Q641-S644 WeakPolarHBondContact O-CB 3.48Å; Q641-S644 PolarHBondContact O-N 2.83Å
642	K	81	Confident	89.2	Confident	202 Å²	202	32.2 Å²	32.2	88%	0.878	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-20.3	-167.9	-66	-175	177.5	-177.4	0	116.6
643	H	83.1	Confident	89.4	Confident	104 Å²	104	34.6 Å²	34.6	48%	0.481	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	6.8	-177.5	-53.7	-52	0	0	0	113.2	P607 Q641	P607-H643 HydrophobicContact CB-CB 4Å; Q641-H643 PolarHBondContact O-N 2.81Å
644	S	86.4	Confident	89.4	Confident	3 Å²	3	34 Å²	34	2%	0.021	17%	0.169	C	C	.	.			trans	-92.1	109.6	-177.2	-174.5	0	0	0	0	110.9	G526 F604 W638 Q641 L646	G526-S644 VanDerWaalsContact CA-O 3.25Å; G526-S644 WeakPolarHBondContact CA-O 3.44Å; G526-S644 PolarHBondContact N-O 3.49Å; G526-S644 VanDerWaalsContact N-O 3.14Å; F604-S644 WeakPolarHBondContact CD1-OG 3.47Å; W638-S644 WeakPolarHBondContact O-CB 3.49Å; W638-S644 PolarHBondContact O-OG 2.86Å; Q641-S644 VanDerWaalsContact O-CB 3.29Å; Q641-S644 WeakPolarHBondContact O-CB 3.48Å; Q641-S644 PolarHBondContact O-N 2.83Å; S644-L646 PolarHBondContact O-N 2.82Å; S644-L646 VanDerWaalsContact O-N 3.15Å; S644-L646 WeakPolarHBondContact OG-CB 3.44Å
645	K	89.9	Confident	88.9	Confident	78 Å²	78	35.3 Å²	35.3	34%	0.339	17%	0.174	S	C	.	.			trans	-84.9	48.1	171.1	-53.5	-164.8	177.3	177	0	111.7	G524 R611 S613 T614	G524-K645 WeakPolarHBondContact O-CG 3.38Å; R611-K645 PolarHBondContact O-NZ 2.97Å; S613-K645 WeakPolarHBondContact CA-O 3.31Å; T614-K645 PolarHBondContact N-O 2.91Å
646	L	92	Very high	88.1	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.1	-176.3	-178.7	63.9	0	0	0	110.6	G526 G527 F604 T614 L616 W638 P639 S644 I648	G526-L646 CarbonylContact C-O 3.56Å; G526-L646 WeakPolarHBondContact CA-O 3.33Å; G527-L646 PolarHBondContact N-O 2.84Å; F604-L646 HydrophobicContact CD1-CB 4Å; F604-L646 HydrophobicContact CD1-CD2 4.09Å; F604-L646 HydrophobicContact CD2-CD2 4.33Å; F604-L646 HydrophobicContact CE1-CB 3.82Å; F604-L646 HydrophobicContact CE1-CD1 3.9Å; F604-L646 HydrophobicContact CE1-CD2 3.79Å; F604-L646 HydrophobicContact CE1-CG 4.04Å; F604-L646 HydrophobicContact CE2-CD2 4.03Å; F604-L646 HydrophobicContact CG-CD2 4.39Å; F604-L646 HydrophobicContact CZ-CD1 3.97Å; F604-L646 HydrophobicContact CZ-CD2 3.77Å; F604-L646 HydrophobicContact CZ-CG 4.32Å; T614-L646 HydrophobicContact CG2-CD1 3.95Å; L616-L646 HydrophobicContact CB-CD1 4.13Å; W638-L646 HydrophobicContact CB-CD2 3.72Å; W638-L646 HydrophobicContact CE3-CD2 4.26Å; P639-L646 WeakPolarHBondContact CB-O 3.2Å; P639-L646 HydrophobicContact CG-CD2 4.13Å; P639-L646 HydrophobicContact CG-CG 4.29Å; S644-L646 PolarHBondContact O-N 2.82Å; S644-L646 VanDerWaalsContact O-N 3.15Å; S644-L646 WeakPolarHBondContact OG-CB 3.44Å; L646-I648 HydrophobicContact CD1-CG1 4.39Å; L646-I648 HydrophobicContact CD2-CD1 3.92Å; L646-I648 HydrophobicContact CD2-CG1 4.13Å; L646-I648 HydrophobicContact CG-CD1 4.28Å; L646-I648 HydrophobicContact CG-CG1 3.92Å
647	I	93.5	Very high	87.3	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.8	172.8	-54.1	171.1	0	0	0	107.4	F516 V517 K520 L521 G527 T614 L615 L616	F516-I647 HydrophobicContact CE1-CG2 4.13Å; V517-I647 HydrophobicContact CG1-CD1 4.35Å; V517-I647 HydrophobicContact CG2-CG2 4.47Å; K520-I647 HydrophobicContact CB-CD1 3.63Å; K520-I647 HydrophobicContact CB-CG1 3.95Å; L521-I647 HydrophobicContact CB-CD1 4.31Å; G527-I647 CarbonylContact O-C 3.45Å; G527-I647 WeakPolarHBondContact O-CA 3.25Å; T614-I647 PolarHBondContact O-N 3.31Å; L615-I647 WeakPolarHBondContact CA-O 3.44Å; L615-I647 HydrophobicContact CD1-CB 3.79Å; L615-I647 HydrophobicContact CD1-CG2 3.59Å; L616-I647 PolarHBondContact N-O 2.88Å
648	I	93.6	Very high	86.3	Confident	1 Å²	1	37 Å²	37	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.3	178.6	-57.4	-175.2	0	0	0	110.9	G527 C528 M529 L616 V618 L635 F636 P639 L646 A650	G527-I648 PolarHBondContact O-N 3.31Å; C528-I648 CarbonylContact C-O 3.59Å; C528-I648 WeakPolarHBondContact CA-O 3.39Å; C528-I648 HydrophobicContact CB-CB 4.18Å; M529-I648 PolarHBondContact N-O 2.83Å; L616-I648 HydrophobicContact CB-CG1 4.41Å; L616-I648 HydrophobicContact CD2-CD1 4.32Å; L616-I648 HydrophobicContact CD2-CG1 4.33Å; L616-I648 WeakPolarHBondContact O-CA 3.5Å; V618-I648 HydrophobicContact CG2-CG2 4.35Å; L635-I648 WeakPolarHBondContact O-CD1 3.45Å; F636-I648 HydrophobicContact CE1-CG2 4.4Å; P639-I648 HydrophobicContact CG-CD1 3.5Å; P639-I648 HydrophobicContact CG-CG1 3.76Å; L646-I648 HydrophobicContact CD1-CG1 4.39Å; L646-I648 HydrophobicContact CD2-CD1 3.92Å; L646-I648 HydrophobicContact CD2-CG1 4.13Å; L646-I648 HydrophobicContact CG-CD1 4.28Å; L646-I648 HydrophobicContact CG-CG1 3.92Å; I648-A650 HydrophobicContact CG2-CB 4.49Å
649	L	94.6	Very high	85.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	101	167.5	-59.9	-177.9	0	0	0	108.4	I513 F516 V517 M529 V543 I547 L615 L616 I617 V618	I513-L649 HydrophobicContact CG2-CD1 4.35Å; F516-L649 HydrophobicContact CD1-CD2 4.29Å; F516-L649 HydrophobicContact CE1-CD2 4.28Å; V517-L649 HydrophobicContact CG2-CD1 4.07Å; V517-L649 HydrophobicContact CG2-CD2 3.96Å; V517-L649 HydrophobicContact CG2-CG 4.4Å; M529-L649 HydrophobicContact CB-CD2 4.23Å; M529-L649 HydrophobicContact CE-CD2 3.92Å; V543-L649 HydrophobicContact CG1-CD1 3.73Å; I547-L649 HydrophobicContact CD1-CD1 4.17Å; L615-L649 HydrophobicContact CD1-CD1 4.15Å; L615-L649 HydrophobicContact CD1-CG 4.09Å; L616-L649 PolarHBondContact O-N 3.21Å; I617-L649 WeakPolarHBondContact CA-O 3.27Å; V618-L649 PolarHBondContact N-O 3.31Å
650	A	93.3	Very high	84.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115.2	179.9	0	0	0	0	0	109.9	M529 Y530 I531 L621 F636 I648	M529-A650 PolarHBondContact O-N 3.02Å; Y530-A650 HydrophobicContact CD2-CB 4.18Å; I531-A650 PolarHBondContact N-O 3.01Å; L621-A650 HydrophobicContact CD2-CB 3.73Å; F636-A650 HydrophobicContact CE1-CB 3.9Å; F636-A650 HydrophobicContact CZ-CB 3.73Å; I648-A650 HydrophobicContact CG2-CB 4.49Å
651	I	94.9	Very high	82.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.7	177.2	-46.9	174.7	0	0	0	109	I531 K539 V543 I617 V618 D619 E620 L621	I531-I651 HydrophobicContact CB-CG1 4.38Å; I531-I651 HydrophobicContact CD1-CG1 4.43Å; I531-I651 WeakPolarHBondContact O-CA 3.39Å; K539-I651 HydrophobicContact CB-CG2 3.8Å; K539-I651 HydrophobicContact CD-CG2 3.93Å; K539-I651 VanDerWaalsContact CE-CG2 3.5Å; K539-I651 HydrophobicContact CG-CG2 4.5Å; V543-I651 HydrophobicContact CB-CD1 4.11Å; V543-I651 HydrophobicContact CG1-CD1 4.28Å; V543-I651 HydrophobicContact CG2-CD1 3.91Å; V543-I651 HydrophobicContact CG2-CG1 4.46Å; I617-I651 HydrophobicContact CG2-CD1 4.03Å; I617-I651 HydrophobicContact CG2-CG1 4.48Å; V618-I651 PolarHBondContact O-N 3.03Å; D619-I651 HydrophobicContact CB-CB 4.46Å; D619-I651 HydrophobicContact CB-CD1 4.42Å; D619-I651 WeakPolarHBondContact OD1-CB 3.33Å; D619-I651 WeakPolarHBondContact OD1-CG2 3.47Å; E620-I651 PolarHBondContact N-O 3.27Å; L621-I651 WeakPolarHBondContact CB-O 3.42Å; L621-I651 PolarHBondContact N-O 3.09Å
652	A	92.3	Very high	81.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.23	C	C	.	.			trans	-142.4	161	178.4	0	0	0	0	0	111.3	Y530 I531 K539 L621	Y530-A652 HydrophobicContact CE2-CB 3.89Å; Y530-A652 VanDerWaalsContact OH-CB 3.28Å; Y530-A652 WeakPolarHBondContact OH-CB 3.46Å; I531-A652 PolarHBondContact O-N 3.42Å; K539-A652 WeakPolarHBondContact CE-O 3.33Å; L621-A652 HydrophobicContact CB-CB 4.43Å
653	N	90.4	Very high	80.8	Confident	51 Å²	51	45.4 Å²	45.4	27%	0.273	21%	0.214	S	C	.	.	S	Bend	trans	-89.7	-19	178	-66.3	-64.3	0	0	0	113	G533 K539 D622	G533-N653 CarbonylContact O-C 3.52Å; G533-N653 WeakPolarHBondContact O-CA 3.4Å; G533-N653 VanDerWaalsContact O-O 3.1Å; K539-N653 PolarHBondContact NZ-OD1 2.91Å; D622-N653 PolarHBondContact OD1-N 2.83Å; D622-N653 PolarHBondContact OD2-N 3.42Å
654	T	86.3	Confident	79.9	Confident	63 Å²	63	47 Å²	47	39%	0.387	23%	0.227	S	C	.	.			trans	-97.7	137.2	178.6	50.5	0	0	0	0	112.3	Y530 D622 L657	Y530-T654 PolarHBondContact OH-O 2.73Å; D622-T654 PolarHBondContact OD2-N 3.05Å; D622-T654 PolarHBondContact OD2-OG1 2.91Å; T654-L657 WeakPolarHBondContact OG1-CD1 3.45Å
655	M	79.4	Confident	79	Confident	77 Å²	77	56.3 Å²	56.3	38%	0.379	26%	0.261	S	S	.	.	S	Bend	trans	-74.2	-35.5	173.1	-65.8	178.2	-179.6	0	0	111.3	P658	M655-P658 WeakPolarHBondContact O-CD 3.44Å
656	D	72	Confident	77.8	Confident	66 Å²	66	52.8 Å²	52.8	35%	0.353	25%	0.246	S	C	.	.	S	Bend	trans	-90.3	0.2	-166.6	-54.9	9.9	0	0	0	114.6	P658 E659 R660	D656-P658 VanDerWaalsContact C-CD 3.43Å; D656-P658 VanDerWaalsContact C-N 3.31Å; D656-E659 PolarHBondContact O-N 2.96Å; D656-R660 HydrophobicContact CB-CG 3.9Å; D656-R660 PolarHBondContact O-N 2.77Å; D656-R660 IonicContact OD2-CZ 2.92Å; D656-R660 IonicContact OD2-NE 2.66Å; D656-R660 PolarHBondContact OD2-NE 2.98Å; D656-R660 IonicContact OD2-NH2 3.68Å; D656-R660 PolarHBondContact OD2-NH2 3.19Å
657	L	70.7	Confident	76.4	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.016	25%	0.25	C	S	.	.	I	π-helix	trans	-49.2	-45.7	-178.3	-158.5	106.4	0	0	0	112.6	Y530 L621 D622 M632 T654 E659 I661 M662	Y530-L657 HydrophobicContact CE2-CB 4.5Å; Y530-L657 HydrophobicContact CE2-CD2 4.34Å; Y530-L657 WeakPolarHBondContact OH-CB 3.31Å; L621-L657 HydrophobicContact CD2-CD2 4.18Å; L621-L657 HydrophobicContact CG-CD2 4.27Å; D622-L657 HydrophobicContact CB-CD1 4.18Å; M632-L657 HydrophobicContact SD-CD2 4.06Å; T654-L657 WeakPolarHBondContact OG1-CD1 3.45Å; L657-E659 PolarHBondContact O-N 3.02Å; L657-E659 VanDerWaalsContact O-N 3.13Å; L657-I661 HydrophobicContact CD1-CD1 3.9Å; L657-I661 HydrophobicContact CG-CD1 4.27Å; L657-I661 WeakPolarHBondContact O-CB 3.44Å; L657-I661 PolarHBondContact O-N 3.25Å; L657-M662 HydrophobicContact CD2-SD 4.34Å; L657-M662 WeakPolarHBondContact O-CG 3.43Å; L657-M662 PolarHBondContact O-N 3.44Å
658	P	67.4	Low	75.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.272	C	S	.	.	I	π-helix	trans	-71.7	-5.4	-177.8	-17	33.8	0	0	0	114.7	Y530 M655 D656 M662 A667 L670	Y530-P658 HydrophobicContact CD1-CG 3.74Å; Y530-P658 HydrophobicContact CD2-CG 4.16Å; Y530-P658 HydrophobicContact CE1-CG 3.56Å; Y530-P658 HydrophobicContact CE2-CG 4Å; Y530-P658 HydrophobicContact CG-CG 4.04Å; M655-P658 WeakPolarHBondContact O-CD 3.44Å; D656-P658 VanDerWaalsContact C-CD 3.43Å; D656-P658 VanDerWaalsContact C-N 3.31Å; P658-M662 HydrophobicContact CB-SD 4.12Å; P658-A667 WeakPolarHBondContact O-CB 3.43Å; P658-L670 HydrophobicContact CB-CD1 4.29Å
659	E	67.4	Low	73.9	Confident	124 Å²	124	60.1 Å²	60.1	58%	0.579	29%	0.286	S	S	*	.	I	π-helix	trans	-124.3	-39.3	-172.5	-53.4	-159.3	155.3	0	0	113.4	D656 L657 R674	D656-E659 PolarHBondContact O-N 2.96Å; L657-E659 PolarHBondContact O-N 3.02Å; L657-E659 VanDerWaalsContact O-N 3.13Å; E659-R674 IonicContact OE1-CZ 2.76Å; E659-R674 VanDerWaalsContact OE1-CZ 3.28Å; E659-R674 IonicContact OE1-NH1 3.38Å; E659-R674 PolarHBondContact OE1-NH1 3.48Å; E659-R674 IonicContact OE1-NH2 2.72Å; E659-R674 PolarHBondContact OE1-NH2 3.21Å
660	R	66.3	Low	72.5	Confident	199 Å²	199	60.1 Å²	60.1	75%	0.751	29%	0.286	S	S	*	.	I	π-helix	trans	-77.7	-35.4	173.1	-72.4	-179.8	-166	-125.5	7	113	D656	D656-R660 HydrophobicContact CB-CG 3.9Å; D656-R660 PolarHBondContact O-N 2.77Å; D656-R660 IonicContact OD2-CZ 2.92Å; D656-R660 IonicContact OD2-NE 2.66Å; D656-R660 PolarHBondContact OD2-NE 2.98Å; D656-R660 IonicContact OD2-NH2 3.68Å; D656-R660 PolarHBondContact OD2-NH2 3.19Å
661	I	58.7	Low	70.7	Confident	59 Å²	59	61 Å²	61	30%	0.303	30%	0.296	S	S	.	.	I	π-helix	trans	-109.8	-51.9	-164	-57.8	-176.8	0	0	0	110.5	W625 Q629 M632 L657	W625-I661 HydrophobicContact CG-CG2 4.1Å; Q629-I661 PolarHBondContact NE2-O 3.39Å; Q629-I661 PolarHBondContact OE1-O 3.46Å; M632-I661 HydrophobicContact CE-CG2 4.37Å; L657-I661 HydrophobicContact CD1-CD1 3.9Å; L657-I661 HydrophobicContact CG-CD1 4.27Å; L657-I661 WeakPolarHBondContact O-CB 3.44Å; L657-I661 PolarHBondContact O-N 3.25Å
662	M	62.2	Low	69.1	Low	7 Å²	7	69.1 Å²	69.1	3%	0.034	34%	0.338	C	S	.	.	S	Bend	trans	-73.4	140.1	-172.5	-60.6	-176.7	79.6	0	0	112.9	M632 F636 L657 P658 N664 V666 L670	M632-M662 HydrophobicContact CB-CE 4.14Å; M632-M662 HydrophobicContact CE-CG 4.02Å; F636-M662 HydrophobicContact CD2-CE 3.39Å; F636-M662 HydrophobicContact CE2-CE 3.55Å; F636-M662 HydrophobicContact CE2-SD 4.36Å; F636-M662 HydrophobicContact CG-CE 4.5Å; L657-M662 HydrophobicContact CD2-SD 4.34Å; L657-M662 WeakPolarHBondContact O-CG 3.43Å; L657-M662 PolarHBondContact O-N 3.44Å; P658-M662 HydrophobicContact CB-SD 4.12Å; M662-N664 PolarHBondContact O-N 3.42Å; M662-V666 HydrophobicContact CE-CB 3.9Å; M662-V666 HydrophobicContact CE-CG1 3.37Å; M662-L670 HydrophobicContact CE-CD1 3.73Å; M662-L670 HydrophobicContact SD-CD1 3.65Å
663	M	62.2	Low	68.7	Low	113 Å²	113	71.2 Å²	71.2	56%	0.557	35%	0.351	S	S	*	.			trans	-51.5	137.5	170.1	-70.7	-172.9	172.3	0	0	112.1	R665 V666 A667	M663-R665 PolarHBondContact O-N 3.08Å; M663-V666 PolarHBondContact O-N 2.9Å; M663-A667 PolarHBondContact O-N 2.87Å; M663-A667 VanDerWaalsContact O-N 3.12Å
664	N	64.4	Low	68.5	Low	138 Å²	138	73.1 Å²	73.1	74%	0.738	35%	0.354	S	S	*	.	H	α-helix	trans	-47.3	-30.9	178.9	-71.1	-12.6	0	0	0	114.8	M662 S668	M662-N664 PolarHBondContact O-N 3.42Å; N664-S668 WeakPolarHBondContact O-CB 3.43Å; N664-S668 PolarHBondContact O-N 2.91Å
665	R	67.9	Low	68.7	Low	198 Å²	198	71 Å²	71	75%	0.747	34%	0.341	S	S	*	.	H	α-helix	trans	-63.2	-38.6	175.5	-66.2	-176.7	178.8	-176.4	-0.1	112.8	M663	M663-R665 PolarHBondContact O-N 3.08Å
666	V	63.4	Low	69.3	Low	4 Å²	4	70 Å²	70	2%	0.024	34%	0.341	C	S	.	.	H	α-helix	trans	-83.2	-39.4	178.2	-160.5	0	0	0	0	110.8	Y633 F636 M662 M663 S668 R669 L670	Y633-V666 HydrophobicContact CD2-CG2 3.49Å; Y633-V666 VanDerWaalsContact CD2-CG2 3.49Å; Y633-V666 HydrophobicContact CE2-CG2 4.05Å; Y633-V666 HydrophobicContact CG-CG2 4.38Å; F636-V666 HydrophobicContact CB-CG1 3.55Å; F636-V666 HydrophobicContact CD2-CG1 3.95Å; F636-V666 HydrophobicContact CG-CG1 4.12Å; M662-V666 HydrophobicContact CE-CB 3.9Å; M662-V666 HydrophobicContact CE-CG1 3.37Å; M663-V666 PolarHBondContact O-N 2.9Å; V666-S668 PolarHBondContact O-N 3.47Å; V666-S668 VanDerWaalsContact O-N 3.16Å; V666-R669 WeakPolarHBondContact O-CB 3.29Å; V666-R669 PolarHBondContact O-N 2.75Å; V666-L670 HydrophobicContact CG1-CD1 4.38Å; V666-L670 PolarHBondContact O-N 3.24Å
667	A	63.7	Low	70.3	Confident	11 Å²	11	66.8 Å²	66.8	9%	0.091	32%	0.324	C	S	.	.	H	α-helix	trans	-54.3	-32.4	171.4	0	0	0	0	0	113	P658 M663 G671	P658-A667 WeakPolarHBondContact O-CB 3.43Å; M663-A667 PolarHBondContact O-N 2.87Å; M663-A667 VanDerWaalsContact O-N 3.12Å; A667-G671 WeakPolarHBondContact O-CA 3.49Å; A667-G671 PolarHBondContact O-N 2.83Å
668	S	67.4	Low	71.4	Confident	69 Å²	69	71.3 Å²	71.3	48%	0.483	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-22.3	175.7	-163.9	0	0	0	0	114.3	N664 V666	N664-S668 WeakPolarHBondContact O-CB 3.43Å; N664-S668 PolarHBondContact O-N 2.91Å; V666-S668 PolarHBondContact O-N 3.47Å; V666-S668 VanDerWaalsContact O-N 3.16Å
669	R	66.9	Low	72.7	Confident	80 Å²	80	74 Å²	74	30%	0.302	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-42.2	173.4	-66.9	167.6	173.5	179.4	-11.9	110.7	Y633 D637 T640 V666 G671	Y633-R669 PolarHBondContact OH-NH1 3.29Å; Y633-R669 PolarHBondContact OH-NH2 2.92Å; D637-R669 IonicContact OD1-CZ 2.93Å; D637-R669 IonicContact OD1-NH1 3.15Å; D637-R669 PolarHBondContact OD1-NH1 3.42Å; D637-R669 IonicContact OD1-NH2 3.73Å; D637-R669 PolarHBondContact OD1-NH2 3.4Å; T640-R669 HydrophobicContact CG2-CB 4.37Å; T640-R669 HydrophobicContact CG2-CG 4.21Å; V666-R669 WeakPolarHBondContact O-CB 3.29Å; V666-R669 PolarHBondContact O-N 2.75Å; R669-G671 PolarHBondContact O-N 2.7Å; R669-G671 VanDerWaalsContact O-N 3.11Å
670	L	64.3	Low	74	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.337	C	S	.	.	S	Bend	trans	-73.8	15.2	169.5	-69.6	168.5	0	0	0	113.9	C528 F636 P658 M662 V666 L672 R674	C528-L670 HydrophobicContact CB-CD2 4.38Å; F636-L670 HydrophobicContact CD1-CD1 4.36Å; F636-L670 HydrophobicContact CD1-CD2 3.68Å; F636-L670 HydrophobicContact CD1-CG 4.22Å; F636-L670 HydrophobicContact CD2-CD1 3.98Å; F636-L670 HydrophobicContact CE1-CD1 4.36Å; F636-L670 HydrophobicContact CE1-CD2 3.62Å; F636-L670 HydrophobicContact CE1-CG 4.44Å; F636-L670 HydrophobicContact CE2-CD1 3.96Å; F636-L670 HydrophobicContact CG-CD1 4.16Å; F636-L670 HydrophobicContact CG-CD2 4.25Å; F636-L670 HydrophobicContact CG-CG 4.3Å; F636-L670 HydrophobicContact CZ-CD1 4.14Å; F636-L670 HydrophobicContact CZ-CD2 4.12Å; P658-L670 HydrophobicContact CB-CD1 4.29Å; M662-L670 HydrophobicContact CE-CD1 3.73Å; M662-L670 HydrophobicContact SD-CD1 3.65Å; V666-L670 HydrophobicContact CG1-CD1 4.38Å; V666-L670 PolarHBondContact O-N 3.24Å; L670-L672 VanDerWaalsContact C-N 3.34Å; L670-L672 PolarHBondContact O-N 2.84Å; L670-R674 WeakPolarHBondContact O-CG 3.26Å; L670-R674 PolarHBondContact O-NE 3.38Å; L670-R674 VanDerWaalsContact O-NE 3.14Å
671	G	57.2	Low	75.4	Confident	19 Å²	19	62.7 Å²	62.7	20%	0.196	32%	0.323	C	S	.	.	S	Bend	trans	-82.2	-2.2	-156	0	0	0	0	0	116.6	A667 R669	A667-G671 WeakPolarHBondContact O-CA 3.49Å; A667-G671 PolarHBondContact O-N 2.83Å; R669-G671 PolarHBondContact O-N 2.7Å; R669-G671 VanDerWaalsContact O-N 3.11Å
672	L	60.8	Low	77.2	Confident	171 Å²	171	64.5 Å²	64.5	90%	0.895	33%	0.326	S	S	*	.	S	Bend	trans	-139.4	-31.6	-171.5	-64.9	173.8	0	0	0	113.6	L670 R674	L670-L672 VanDerWaalsContact C-N 3.34Å; L670-L672 PolarHBondContact O-N 2.84Å; L672-R674 PolarHBondContact O-N 3.42Å
673	T	82.6	Confident	78.7	Confident	44 Å²	44	70.6 Å²	70.6	27%	0.27	35%	0.352	S	S	.	.			trans	-100.9	73.2	-175.4	41.6	0	0	0	0	110.9	F516 C528 M529 Y530	F516-T673 HydrophobicContact CD2-CG2 4.23Å; F516-T673 HydrophobicContact CE2-CG2 3.73Å; C528-T673 WeakPolarHBondContact O-CB 3.41Å; C528-T673 PolarHBondContact O-OG1 2.72Å; M529-T673 WeakPolarHBondContact CA-O 3.36Å; M529-T673 WeakPolarHBondContact CG-O 3.35Å; Y530-T673 PolarHBondContact N-O 2.73Å
674	R	86.8	Confident	80.3	Confident	90 Å²	90	67.4 Å²	67.4	34%	0.34	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.6	179.1	-56.4	-169	-170.5	164.4	1.2	111.4	Y530 E659 L670 L672	Y530-R674 CarbonylContact O-C 3.56Å; Y530-R674 WeakPolarHBondContact O-CA 3.41Å; E659-R674 IonicContact OE1-CZ 2.76Å; E659-R674 VanDerWaalsContact OE1-CZ 3.28Å; E659-R674 IonicContact OE1-NH1 3.38Å; E659-R674 PolarHBondContact OE1-NH1 3.48Å; E659-R674 IonicContact OE1-NH2 2.72Å; E659-R674 PolarHBondContact OE1-NH2 3.21Å; L670-R674 WeakPolarHBondContact O-CG 3.26Å; L670-R674 PolarHBondContact O-NE 3.38Å; L670-R674 VanDerWaalsContact O-NE 3.14Å; L672-R674 PolarHBondContact O-N 3.42Å
675	M	90.9	Very high	81.7	Confident	19 Å²	19	60.9 Å²	60.9	9%	0.094	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.5	178.1	174.7	174.7	-91.7	0	0	110.4	E509 D512 I513 Y530 S532 F677	E509-M675 HydrophobicContact CB-CE 3.8Å; E509-M675 HydrophobicContact CB-SD 3.98Å; E509-M675 HydrophobicContact CG-CE 4.09Å; E509-M675 HydrophobicContact CG-SD 4.26Å; D512-M675 HydrophobicContact CB-CE 3.37Å; I513-M675 HydrophobicContact CD1-SD 3.83Å; I513-M675 HydrophobicContact CG1-CE 4Å; I513-M675 HydrophobicContact CG1-SD 3.66Å; Y530-M675 PolarHBondContact O-N 2.69Å; S532-M675 PolarHBondContact N-O 3.45Å; S532-M675 PolarHBondContact OG-O 3.34Å; M675-F677 HydrophobicContact CG-CD2 4.14Å; M675-F677 HydrophobicContact CG-CE2 4.06Å; M675-F677 HydrophobicContact SD-CD2 4.17Å; M675-F677 HydrophobicContact SD-CE2 3.49Å; M675-F677 WeakPolarHBondContact SD-CE2 3.42Å; M675-F677 HydrophobicContact SD-CZ 4.27Å
676	S	91.6	Very high	83	Confident	55 Å²	55	54 Å²	54	39%	0.385	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	103.5	179.7	62.7	0	0	0	0	111.6	S532 Q678	S532-S676 CarbonylContact O-C 3.5Å; S532-S676 WeakPolarHBondContact O-CA 3.3Å; S676-Q678 PolarHBondContact O-N 3.04Å; S676-Q678 VanDerWaalsContact O-N 3.16Å; S676-Q678 PolarHBondContact OG-NE2 3.22Å
677	F	94.2	Very high	84.4	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	105.8	170.9	-80.6	-110.1	0	0	0	109.3	R506 E509 I513 I531 S532 G533 K539 T542 M675	R506-F677 HydrophobicContact CG-CE1 4.24Å; E509-F677 HydrophobicContact CB-CE1 4.18Å; E509-F677 HydrophobicContact CB-CE2 4.25Å; E509-F677 HydrophobicContact CB-CZ 3.81Å; E509-F677 HydrophobicContact CG-CE1 4.5Å; E509-F677 HydrophobicContact CG-CZ 4.36Å; I513-F677 HydrophobicContact CD1-CE2 4.22Å; I513-F677 HydrophobicContact CD1-CZ 4.02Å; I531-F677 HydrophobicContact CG2-CD2 3.57Å; I531-F677 HydrophobicContact CG2-CE2 3.45Å; I531-F677 VanDerWaalsContact CG2-CE2 3.45Å; S532-F677 PolarHBondContact O-N 3.25Å; G533-F677 VanDerWaalsContact CA-O 3.31Å; G533-F677 WeakPolarHBondContact CA-O 3.3Å; K539-F677 HydrophobicContact CD-CB 4.46Å; K539-F677 HydrophobicContact CG-CB 3.97Å; K539-F677 HydrophobicContact CG-CD1 4.19Å; K539-F677 HydrophobicContact CG-CD2 4.05Å; K539-F677 HydrophobicContact CG-CG 3.81Å; T542-F677 HydrophobicContact CG2-CE1 4.37Å; T542-F677 HydrophobicContact CG2-CZ 4.1Å; M675-F677 HydrophobicContact CG-CD2 4.14Å; M675-F677 HydrophobicContact CG-CE2 4.06Å; M675-F677 HydrophobicContact SD-CD2 4.17Å; M675-F677 HydrophobicContact SD-CE2 3.49Å; M675-F677 WeakPolarHBondContact SD-CE2 3.42Å; M675-F677 HydrophobicContact SD-CZ 4.27Å
678	Q	93	Very high	85.7	Confident	98 Å²	98	58.6 Å²	58.6	46%	0.458	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-71.7	152.4	177	-61.2	-58.4	-32.5	0	0	111.3	R506 T537 S676	R506-Q678 PolarHBondContact NH1-O 3.25Å; R506-Q678 PolarHBondContact NH2-O 3.43Å; T537-Q678 WeakPolarHBondContact CG2-O 3.29Å; S676-Q678 PolarHBondContact O-N 3.04Å; S676-Q678 VanDerWaalsContact O-N 3.16Å; S676-Q678 PolarHBondContact OG-NE2 3.22Å
679	P	94.7	Very high	86.9	Confident	55 Å²	55	55.3 Å²	55.3	36%	0.357	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-52.7	142.7	171.2	-22.3	32.5	0	0	0	111.6	V534 T681	V534-P679 HydrophobicContact CG2-CB 4.29Å; V534-P679 HydrophobicContact CG2-CG 3.94Å; P679-T681 PolarHBondContact O-N 2.9Å
680	Y	95.6	Very high	88	Confident	15 Å²	15	54.3 Å²	54.3	6%	0.059	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-68.2	133.5	-178.2	-74.2	-70	0	0	0	111.8	C505 R506 G536 T537 Q684 L685 I688 G716 A718	C505-Y680 HydrophobicContact CB-CE1 4.36Å; R506-Y680 HydrophobicContact CG-CE1 4.1Å; R506-Y680 VanDerWaalsContact NE-CE1 3.33Å; R506-Y680 VanDerWaalsContact NH2-CE1 3.3Å; G536-Y680 WeakPolarHBondContact O-CE2 3.48Å; T537-Y680 VanDerWaalsContact C-CE2 3.48Å; T537-Y680 WeakPolarHBondContact O-CE2 3.46Å; T537-Y680 VanDerWaalsContact O-CZ 3.3Å; T537-Y680 PolarHBondContact O-OH 3.18Å; T537-Y680 VanDerWaalsContact O-OH 3.13Å; Y680-Q684 HydrophobicContact CD1-CB 3.85Å; Y680-L685 HydrophobicContact CD2-CD2 4.16Å; Y680-L685 HydrophobicContact CG-CD2 4.11Å; Y680-I688 HydrophobicContact CD1-CD1 3.91Å; Y680-I688 HydrophobicContact CD2-CD1 4.31Å; Y680-I688 HydrophobicContact CE1-CD1 3.61Å; Y680-I688 HydrophobicContact CE2-CD1 4.04Å; Y680-I688 HydrophobicContact CG-CD1 4.23Å; Y680-G716 PolarHBondContact N-O 3.43Å; Y680-A718 HydrophobicContact CD2-CB 3.86Å; Y680-A718 HydrophobicContact CE2-CB 3.72Å
681	T	95.4	Very high	89.2	Confident	72 Å²	72	56.3 Å²	56.3	44%	0.442	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-72.5	160.9	171	66.1	0	0	0	0	111.4	P679 K683 Q684 L685	P679-T681 PolarHBondContact O-N 2.9Å; T681-K683 PolarHBondContact O-N 3.05Å; T681-Q684 PolarHBondContact O-N 3.31Å; T681-Q684 WeakPolarHBondContact OG1-CG 3.48Å; T681-Q684 PolarHBondContact OG1-OE1 2.69Å; T681-L685 PolarHBondContact O-N 3.47Å
682	Y	95.3	Very high	90.6	Very high	97 Å²	97	57.1 Å²	57.1	38%	0.38	29%	0.291	S	S	.	.	H	α-helix	trans	-58.3	-32.9	-179.6	77.2	-93.5	0	0	0	113	Q686 S708 R709	Y682-Q686 WeakPolarHBondContact O-CB 3.15Å; Y682-Q686 PolarHBondContact O-N 3.01Å; Y682-S708 WeakPolarHBondContact CB-O 3.37Å; Y682-S708 WeakPolarHBondContact O-CB 3.29Å; Y682-R709 HydrophobicContact CD2-CG 4.39Å; Y682-R709 HydrophobicContact CG-CG 4.38Å
683	K	95.2	Very high	91.8	Very high	134 Å²	134	49.5 Å²	49.5	58%	0.583	25%	0.251	S	S	*	.	H	α-helix	trans	-66.7	-43.4	176.5	-68.3	-167.5	175.2	-170.8	0	111.6	T681 Q686 Q687	T681-K683 PolarHBondContact O-N 3.05Å; K683-Q686 PolarHBondContact O-N 3.33Å; K683-Q687 WeakPolarHBondContact O-CB 3.41Å; K683-Q687 PolarHBondContact O-N 3.47Å
684	Q	95.1	Very high	91.4	Very high	47 Å²	47	51.3 Å²	51.3	22%	0.22	27%	0.265	C	S	.	.	H	α-helix	trans	-67.8	-41.4	178.7	-63.4	167.5	-65.8	0	0	111	C505 Y680 T681 Q686 Q687 I688	C505-Q684 HydrophobicContact CB-CB 3.68Å; C505-Q684 HydrophobicContact CB-CG 3.65Å; C505-Q684 PolarHBondContact O-NE2 3.19Å; Y680-Q684 HydrophobicContact CD1-CB 3.85Å; T681-Q684 PolarHBondContact O-N 3.31Å; T681-Q684 WeakPolarHBondContact OG1-CG 3.48Å; T681-Q684 PolarHBondContact OG1-OE1 2.69Å; Q684-Q686 VanDerWaalsContact C-N 3.35Å; Q684-Q686 PolarHBondContact O-N 3.04Å; Q684-Q687 PolarHBondContact O-N 3.03Å; Q684-I688 WeakPolarHBondContact O-CB 3.42Å; Q684-I688 WeakPolarHBondContact O-CD1 3.44Å; Q684-I688 WeakPolarHBondContact O-CG1 3.23Å; Q684-I688 PolarHBondContact O-N 3.39Å
685	L	94.5	Very high	90.5	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-60.7	-42.4	172.8	-68.8	-178.7	0	0	0	112.2	Y680 T681 I688 I689 V711 A712 A718 C721	Y680-L685 HydrophobicContact CD2-CD2 4.16Å; Y680-L685 HydrophobicContact CG-CD2 4.11Å; T681-L685 PolarHBondContact O-N 3.47Å; L685-I688 PolarHBondContact O-N 3.42Å; L685-I689 WeakPolarHBondContact O-CG1 3.36Å; L685-I689 PolarHBondContact O-N 2.77Å; L685-V711 HydrophobicContact CD1-CB 4.04Å; L685-V711 HydrophobicContact CD1-CG1 3.88Å; L685-A712 HydrophobicContact CD1-CB 4.07Å; L685-A718 HydrophobicContact CD2-CB 4.1Å; L685-C721 HydrophobicContact CD2-CB 4.15Å
686	Q	94.1	Very high	89.9	Confident	53 Å²	53	53 Å²	53	25%	0.248	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-43.4	175.8	-176.6	177.3	0.7	0	0	111.6	Y682 K683 Q684 I689 S690 I704 S708	Y682-Q686 WeakPolarHBondContact O-CB 3.15Å; Y682-Q686 PolarHBondContact O-N 3.01Å; K683-Q686 PolarHBondContact O-N 3.33Å; Q684-Q686 VanDerWaalsContact C-N 3.35Å; Q684-Q686 PolarHBondContact O-N 3.04Å; Q686-I689 PolarHBondContact O-N 2.86Å; Q686-S690 WeakPolarHBondContact O-CB 3.46Å; Q686-S690 PolarHBondContact O-N 3.27Å; Q686-S690 PolarHBondContact O-OG 2.93Å; Q686-I704 HydrophobicContact CG-CG2 4.1Å; Q686-S708 WeakPolarHBondContact CA-OG 3.27Å; Q686-S708 PolarHBondContact N-OG 2.88Å
687	Q	92.4	Very high	89.3	Confident	94 Å²	94	59.8 Å²	59.8	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-68.2	-35.6	177.5	-178.1	175.5	-18.7	0	0	112.8	P504 C505 K683 Q684 S690 S691	P504-Q687 HydrophobicContact CB-CG 4.38Å; C505-Q687 PolarHBondContact SG-OE1 2.9Å; C505-Q687 VanDerWaalsContact SG-OE1 3.37Å; K683-Q687 WeakPolarHBondContact O-CB 3.41Å; K683-Q687 PolarHBondContact O-N 3.47Å; Q684-Q687 PolarHBondContact O-N 3.03Å; Q687-S690 WeakPolarHBondContact CA-OG 3.25Å; Q687-S690 PolarHBondContact O-OG 3.38Å; Q687-S691 WeakPolarHBondContact O-CB 3.38Å; Q687-S691 PolarHBondContact O-N 3.29Å
688	I	92.5	Very high	88.7	Confident	17 Å²	17	59.8 Å²	59.8	9%	0.087	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-45.7	173	-71.4	160.9	0	0	0	110.3	P504 Y680 Q684 L685 R692	P504-I688 HydrophobicContact CG-CG1 4.12Å; Y680-I688 HydrophobicContact CD1-CD1 3.91Å; Y680-I688 HydrophobicContact CD2-CD1 4.31Å; Y680-I688 HydrophobicContact CE1-CD1 3.61Å; Y680-I688 HydrophobicContact CE2-CD1 4.04Å; Y680-I688 HydrophobicContact CG-CD1 4.23Å; Q684-I688 WeakPolarHBondContact O-CB 3.42Å; Q684-I688 WeakPolarHBondContact O-CD1 3.44Å; Q684-I688 WeakPolarHBondContact O-CG1 3.23Å; Q684-I688 PolarHBondContact O-N 3.39Å; L685-I688 PolarHBondContact O-N 3.42Å; I688-R692 WeakPolarHBondContact O-CG 3.28Å; I688-R692 PolarHBondContact O-N 3.25Å
689	I	91.7	Very high	88.5	Confident	1 Å²	1	56 Å²	56	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-46.9	178	-67.3	162.9	0	0	0	111	L685 Q686 S691 R692 L693 I704 L722	L685-I689 WeakPolarHBondContact O-CG1 3.36Å; L685-I689 PolarHBondContact O-N 2.77Å; Q686-I689 PolarHBondContact O-N 2.86Å; I689-S691 VanDerWaalsContact C-N 3.33Å; I689-S691 PolarHBondContact O-N 3.3Å; I689-R692 PolarHBondContact O-N 3.21Å; I689-L693 HydrophobicContact CG2-CD1 3.64Å; I689-L693 HydrophobicContact CG2-CG 4.36Å; I689-L693 WeakPolarHBondContact O-CG 3.48Å; I689-L693 PolarHBondContact O-N 2.87Å; I689-I704 HydrophobicContact CB-CG2 3.92Å; I689-I704 HydrophobicContact CD1-CG2 4.11Å; I689-I704 HydrophobicContact CG2-CD1 4.13Å; I689-I704 HydrophobicContact CG2-CG1 4.1Å; I689-I704 HydrophobicContact CG2-CG2 3.67Å; I689-L722 HydrophobicContact CG1-CD2 4.4Å
690	S	90	Very high	88.4	Confident	59 Å²	59	57 Å²	57	41%	0.413	29%	0.286	S	S	.	.	H	α-helix	trans	-66.6	-33.1	-180	68.1	0	0	0	0	112.8	Q686 Q687 L693 S694	Q686-S690 WeakPolarHBondContact O-CB 3.46Å; Q686-S690 PolarHBondContact O-N 3.27Å; Q686-S690 PolarHBondContact O-OG 2.93Å; Q687-S690 WeakPolarHBondContact CA-OG 3.25Å; Q687-S690 PolarHBondContact O-OG 3.38Å; S690-L693 CarbonylContact O-C 3.49Å; S690-L693 PolarHBondContact O-N 3.44Å; S690-S694 VanDerWaalsContact O-CA 3.31Å; S690-S694 WeakPolarHBondContact O-CA 3.36Å; S690-S694 PolarHBondContact O-N 2.88Å
691	S	89.1	Confident	88.1	Confident	42 Å²	42	63.6 Å²	63.6	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-58.3	-48	170.8	171.4	0	0	0	0	111.7	Q687 I689 L693 S694	Q687-S691 WeakPolarHBondContact O-CB 3.38Å; Q687-S691 PolarHBondContact O-N 3.29Å; I689-S691 VanDerWaalsContact C-N 3.33Å; I689-S691 PolarHBondContact O-N 3.3Å; S691-L693 VanDerWaalsContact C-N 3.35Å; S691-L693 PolarHBondContact O-N 2.91Å; S691-S694 WeakPolarHBondContact O-CB 3.46Å; S691-S694 PolarHBondContact O-N 3.09Å; S691-S694 PolarHBondContact O-OG 3.26Å
692	R	87.6	Confident	87.9	Confident	35 Å²	35	64.8 Å²	64.8	13%	0.132	32%	0.321	C	S	.	.	H	α-helix	trans	-64.5	-36.1	176.9	-64.1	-56.3	-170.6	96.8	-1	113.5	R493 L494 H495 A498 I688 I689 L722	R493-R692 WeakPolarHBondContact CD-O 3.48Å; R493-R692 PolarHBondContact O-NH1 2.91Å; L494-R692 HydrophobicContact CD2-CB 4.35Å; H495-R692 PolarHBondContact O-NH1 2.92Å; A498-R692 PolarHBondContact O-NH1 3.06Å; A498-R692 PolarHBondContact O-NH2 3.17Å; I688-R692 WeakPolarHBondContact O-CG 3.28Å; I688-R692 PolarHBondContact O-N 3.25Å; I689-R692 PolarHBondContact O-N 3.21Å; R692-L722 HydrophobicContact CG-CD2 4.45Å
693	L	85.9	Confident	87.8	Confident	11 Å²	11	60.2 Å²	60.2	6%	0.058	30%	0.303	C	S	.	.	H	α-helix	trans	-92.6	-0.4	-176.3	-65.3	177.1	0	0	0	114	A490 L494 I689 S690 S691 N695 M696 F699 I704	A490-L693 HydrophobicContact CB-CD2 4.17Å; L494-L693 HydrophobicContact CD1-CD2 4.17Å; L494-L693 HydrophobicContact CD2-CD2 4.13Å; L494-L693 HydrophobicContact CD2-CG 4.19Å; L494-L693 HydrophobicContact CG-CD2 4.04Å; I689-L693 HydrophobicContact CG2-CD1 3.64Å; I689-L693 HydrophobicContact CG2-CG 4.36Å; I689-L693 WeakPolarHBondContact O-CG 3.48Å; I689-L693 PolarHBondContact O-N 2.87Å; S690-L693 CarbonylContact O-C 3.49Å; S690-L693 PolarHBondContact O-N 3.44Å; S691-L693 VanDerWaalsContact C-N 3.35Å; S691-L693 PolarHBondContact O-N 2.91Å; L693-N695 PolarHBondContact O-N 2.96Å; L693-M696 CarbonylContact O-C 3.56Å; L693-M696 PolarHBondContact O-N 3.28Å; L693-M696 VanDerWaalsContact O-O 3.07Å; L693-F699 HydrophobicContact CD1-CB 4.21Å; L693-F699 HydrophobicContact CD1-CD2 3.39Å; L693-F699 HydrophobicContact CD1-CE2 3.81Å; L693-F699 HydrophobicContact CD1-CG 3.87Å; L693-F699 HydrophobicContact CD2-CD2 4.08Å; L693-F699 HydrophobicContact CD2-CE2 4.02Å; L693-F699 HydrophobicContact CG-CD2 4.39Å; L693-I704 HydrophobicContact CD1-CD1 4.08Å
694	S	73.7	Confident	87.7	Confident	82 Å²	82	54.5 Å²	54.5	57%	0.573	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.5	-33.7	-169.1	44.2	0	0	0	0	116.3	S690 S691	S690-S694 VanDerWaalsContact O-CA 3.31Å; S690-S694 WeakPolarHBondContact O-CA 3.36Å; S690-S694 PolarHBondContact O-N 2.88Å; S691-S694 WeakPolarHBondContact O-CB 3.46Å; S691-S694 PolarHBondContact O-N 3.09Å; S691-S694 PolarHBondContact O-OG 3.26Å
695	N	68.8	Low	87.7	Confident	123 Å²	123	54.7 Å²	54.7	66%	0.658	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	3.2	-178.6	-54.2	-8.2	0	0	0	114.1	R493 L693	R493-N695 PolarHBondContact NH1-ND2 2.89Å; L693-N695 PolarHBondContact O-N 2.96Å
696	M	76.7	Confident	87.7	Confident	23 Å²	23	57.3 Å²	57.3	11%	0.113	29%	0.293	C	S	.	.			trans	-143.2	118.5	-172.9	-66.8	-175.7	-62.3	0	0	113	I486 E489 A490 R493 L693 A698	I486-M696 HydrophobicContact CG2-CB 4.36Å; I486-M696 HydrophobicContact CG2-CG 4.47Å; I486-M696 HydrophobicContact CG2-SD 4.24Å; E489-M696 HydrophobicContact CB-CE 4.27Å; E489-M696 HydrophobicContact CB-SD 3.78Å; E489-M696 VanDerWaalsContact CD-SD 3.59Å; E489-M696 HydrophobicContact CG-CE 4.12Å; E489-M696 HydrophobicContact CG-SD 3.88Å; A490-M696 HydrophobicContact CB-CE 4.03Å; R493-M696 HydrophobicContact CG-CE 4.15Å; L693-M696 CarbonylContact O-C 3.56Å; L693-M696 PolarHBondContact O-N 3.28Å; L693-M696 VanDerWaalsContact O-O 3.07Å; M696-A698 PolarHBondContact O-N 3.02Å
697	K	79	Confident	87.7	Confident	196 Å²	196	54.8 Å²	54.8	85%	0.852	28%	0.282	S	S	*	.			trans	-78.1	54.6	172.6	-62.5	-168.8	177.4	-170.3	0	112.5
698	A	82.9	Confident	87.9	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.008	26%	0.261	C	S	.	.			trans	-82.1	-13.7	-179.3	0	0	0	0	0	113.8	I486 L487 A490 M696 V744	I486-A698 HydrophobicContact CG2-CB 4.21Å; L487-A698 HydrophobicContact CD2-CB 4.47Å; A490-A698 HydrophobicContact CB-CB 3.86Å; M696-A698 PolarHBondContact O-N 3.02Å; A698-V744 PolarHBondContact O-N 3.45Å
699	F	88.6	Confident	88	Confident	18 Å²	18	55.7 Å²	55.7	8%	0.079	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-131.4	149.3	-175.6	-75.9	-108.1	0	0	0	111.4	L494 L693 I704 C725 T729 V744 I749	L494-F699 HydrophobicContact CD1-CE2 3.65Å; L494-F699 HydrophobicContact CD1-CZ 3.59Å; L693-F699 HydrophobicContact CD1-CB 4.21Å; L693-F699 HydrophobicContact CD1-CD2 3.39Å; L693-F699 HydrophobicContact CD1-CE2 3.81Å; L693-F699 HydrophobicContact CD1-CG 3.87Å; L693-F699 HydrophobicContact CD2-CD2 4.08Å; L693-F699 HydrophobicContact CD2-CE2 4.02Å; L693-F699 HydrophobicContact CG-CD2 4.39Å; F699-I704 HydrophobicContact CB-CD1 3.9Å; F699-I704 HydrophobicContact CB-CG1 3.9Å; F699-I704 HydrophobicContact CD1-CG1 4.28Å; F699-I704 HydrophobicContact CG-CG1 4.35Å; F699-C725 HydrophobicContact CE1-CB 3.94Å; F699-C725 HydrophobicContact CZ-CB 3.87Å; F699-C725 WeakPolarHBondContact CZ-O 3.31Å; F699-T729 HydrophobicContact CE2-CG2 3.58Å; F699-T729 HydrophobicContact CZ-CG2 3.48Å; F699-T729 VanDerWaalsContact CZ-CG2 3.48Å; F699-V744 HydrophobicContact CD1-CB 3.65Å; F699-V744 HydrophobicContact CD1-CG1 3.79Å; F699-V744 HydrophobicContact CD1-CG2 4.15Å; F699-V744 HydrophobicContact CD2-CB 4.48Å; F699-V744 HydrophobicContact CD2-CG2 4.34Å; F699-V744 HydrophobicContact CE1-CB 3.9Å; F699-V744 HydrophobicContact CE1-CG1 3.77Å; F699-V744 HydrophobicContact CE1-CG2 4Å; F699-V744 HydrophobicContact CE2-CG2 4.19Å; F699-V744 HydrophobicContact CG-CB 3.98Å; F699-V744 HydrophobicContact CG-CG2 4.32Å; F699-V744 HydrophobicContact CZ-CB 4.42Å; F699-V744 HydrophobicContact CZ-CG2 4.04Å; F699-I749 HydrophobicContact CD1-CD1 4.22Å; F699-I749 HydrophobicContact CE1-CD1 4.3Å
700	E	91.3	Very high	88.1	Confident	77 Å²	77	60 Å²	60	36%	0.36	30%	0.299	S	S	.	.			trans	-75.2	135.8	165.2	176.8	172.6	-114.1	0	0	110.8	D702 A703 I704 V744 R745 M746	E700-D702 HydrophobicContact CG-CB 4.47Å; E700-D702 PolarHBondContact O-N 3.38Å; E700-A703 HydrophobicContact CB-CB 3.9Å; E700-A703 HydrophobicContact CG-CB 4.31Å; E700-A703 VanDerWaalsContact O-CB 3.31Å; E700-A703 WeakPolarHBondContact O-CB 3.42Å; E700-A703 PolarHBondContact O-N 2.86Å; E700-A703 VanDerWaalsContact O-N 3.09Å; E700-I704 PolarHBondContact O-N 2.99Å; E700-I704 VanDerWaalsContact O-N 3.14Å; E700-V744 WeakPolarHBondContact CB-O 3.06Å; E700-V744 PolarHBondContact N-O 3.31Å; E700-R745 WeakPolarHBondContact OE2-CA 3.31Å; E700-M746 PolarHBondContact OE2-N 3.38Å
701	E	89.8	Confident	88.3	Confident	153 Å²	153	57.3 Å²	57.3	72%	0.715	28%	0.279	S	S	*	.	H	α-helix	trans	-65.4	-38.8	-173.7	-68.5	-173.7	-158.9	0	0	112.9	A703 I704 Q705	E701-A703 PolarHBondContact O-N 3.1Å; E701-I704 PolarHBondContact O-N 2.96Å; E701-Q705 WeakPolarHBondContact O-CB 3.33Å; E701-Q705 PolarHBondContact O-N 3.49Å
702	D	91.9	Very high	88.5	Confident	97 Å²	97	56.8 Å²	56.8	52%	0.519	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-34.7	173.6	-71.6	-35.3	0	0	0	111.7	E700 Q705 L706 M746	E700-D702 HydrophobicContact CG-CB 4.47Å; E700-D702 PolarHBondContact O-N 3.38Å; D702-Q705 WeakPolarHBondContact O-CB 3.43Å; D702-Q705 PolarHBondContact O-N 3.34Å; D702-L706 PolarHBondContact O-N 2.93Å; D702-M746 VanDerWaalsContact C-CE 3.42Å; D702-M746 HydrophobicContact CB-CE 3.63Å; D702-M746 WeakPolarHBondContact O-CE 3.41Å
703	A	93.1	Very high	88.8	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67.4	-43.3	178.2	0	0	0	0	0	110.9	E700 E701 Q705 L706 V707 M746 I749	E700-A703 HydrophobicContact CB-CB 3.9Å; E700-A703 HydrophobicContact CG-CB 4.31Å; E700-A703 VanDerWaalsContact O-CB 3.31Å; E700-A703 WeakPolarHBondContact O-CB 3.42Å; E700-A703 PolarHBondContact O-N 2.86Å; E700-A703 VanDerWaalsContact O-N 3.09Å; E701-A703 PolarHBondContact O-N 3.1Å; A703-Q705 VanDerWaalsContact C-N 3.3Å; A703-Q705 PolarHBondContact O-N 3.14Å; A703-L706 PolarHBondContact O-N 2.85Å; A703-V707 PolarHBondContact O-N 3.39Å; A703-M746 HydrophobicContact CB-SD 4.44Å; A703-I749 HydrophobicContact CB-CD1 3.55Å; A703-I749 WeakPolarHBondContact O-CD1 3.4Å
704	I	93.6	Very high	89	Confident	15 Å²	15	63.2 Å²	63.2	8%	0.077	33%	0.327	C	S	.	.	H	α-helix	trans	-59.5	-42.1	170.1	-60.4	171.1	0	0	0	110.7	Q686 I689 L693 F699 E700 E701 L706 V707 S708	Q686-I704 HydrophobicContact CG-CG2 4.1Å; I689-I704 HydrophobicContact CB-CG2 3.92Å; I689-I704 HydrophobicContact CD1-CG2 4.11Å; I689-I704 HydrophobicContact CG2-CD1 4.13Å; I689-I704 HydrophobicContact CG2-CG1 4.1Å; I689-I704 HydrophobicContact CG2-CG2 3.67Å; L693-I704 HydrophobicContact CD1-CD1 4.08Å; F699-I704 HydrophobicContact CB-CD1 3.9Å; F699-I704 HydrophobicContact CB-CG1 3.9Å; F699-I704 HydrophobicContact CD1-CG1 4.28Å; F699-I704 HydrophobicContact CG-CG1 4.35Å; E700-I704 PolarHBondContact O-N 2.99Å; E700-I704 VanDerWaalsContact O-N 3.14Å; E701-I704 PolarHBondContact O-N 2.96Å; I704-L706 VanDerWaalsContact C-N 3.34Å; I704-L706 PolarHBondContact O-N 3.47Å; I704-V707 PolarHBondContact O-N 3.24Å; I704-S708 WeakPolarHBondContact O-CB 3.33Å; I704-S708 PolarHBondContact O-N 3.07Å; I704-S708 PolarHBondContact O-OG 3.37Å
705	Q	94.3	Very high	89.5	Confident	50 Å²	50	61.4 Å²	61.4	23%	0.234	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-37.5	179.5	-169.5	-179.5	107.2	0	0	112.1	E701 D702 A703 R709	E701-Q705 WeakPolarHBondContact O-CB 3.33Å; E701-Q705 PolarHBondContact O-N 3.49Å; D702-Q705 WeakPolarHBondContact O-CB 3.43Å; D702-Q705 PolarHBondContact O-N 3.34Å; A703-Q705 VanDerWaalsContact C-N 3.3Å; A703-Q705 PolarHBondContact O-N 3.14Å; Q705-R709 WeakPolarHBondContact O-CB 3.43Å; Q705-R709 WeakPolarHBondContact O-CG 3.35Å; Q705-R709 PolarHBondContact O-N 3.19Å
706	L	94.3	Very high	90.6	Very high	57 Å²	57	55.6 Å²	55.6	30%	0.298	28%	0.283	S	S	.	.	H	α-helix	trans	-67.9	-45.9	176.2	-177.1	131.6	0	0	0	112.4	D702 A703 I704 S708 R709 K710 M746 I749 T750 I753	D702-L706 PolarHBondContact O-N 2.93Å; A703-L706 PolarHBondContact O-N 2.85Å; I704-L706 VanDerWaalsContact C-N 3.34Å; I704-L706 PolarHBondContact O-N 3.47Å; L706-S708 VanDerWaalsContact C-N 3.32Å; L706-S708 PolarHBondContact O-N 2.86Å; L706-R709 PolarHBondContact O-N 2.98Å; L706-K710 WeakPolarHBondContact O-CB 3.36Å; L706-K710 PolarHBondContact O-N 3.38Å; L706-M746 HydrophobicContact CB-CE 4.18Å; L706-M746 HydrophobicContact CB-SD 3.46Å; L706-M746 WeakPolarHBondContact CB-SD 3.4Å; L706-M746 HydrophobicContact CD1-SD 3.59Å; L706-M746 VanDerWaalsContact CD1-SD 3.59Å; L706-M746 HydrophobicContact CD2-SD 4.07Å; L706-M746 HydrophobicContact CG-SD 3.86Å; L706-I749 HydrophobicContact CD2-CG2 3.67Å; L706-T750 HydrophobicContact CD2-CG2 4.39Å; L706-I753 HydrophobicContact CD2-CD1 3.55Å
707	V	94.7	Very high	91.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.5	-50.8	173	-175.9	0	0	0	0	109.9	A703 I704 R709 K710 V711 I724 I749	A703-V707 PolarHBondContact O-N 3.39Å; I704-V707 PolarHBondContact O-N 3.24Å; V707-R709 VanDerWaalsContact C-N 3.31Å; V707-R709 PolarHBondContact O-N 3.26Å; V707-K710 PolarHBondContact O-N 3.27Å; V707-V711 HydrophobicContact CG1-CG2 3.95Å; V707-V711 WeakPolarHBondContact O-CB 3.38Å; V707-V711 WeakPolarHBondContact O-CG2 3.47Å; V707-V711 PolarHBondContact O-N 2.9Å; V707-I724 HydrophobicContact CG1-CB 4.11Å; V707-I724 HydrophobicContact CG1-CD1 4.41Å; V707-I724 HydrophobicContact CG1-CG2 3.92Å; V707-I724 HydrophobicContact CG2-CG2 4.02Å; V707-I749 HydrophobicContact CG2-CB 4.41Å; V707-I749 HydrophobicContact CG2-CD1 3.66Å; V707-I749 HydrophobicContact CG2-CG1 4.23Å; V707-I749 HydrophobicContact CG2-CG2 3.37Å
708	S	95.6	Very high	92	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.6	-39.7	-175	-56.7	0	0	0	0	112.2	Y682 Q686 I704 L706 A712	Y682-S708 WeakPolarHBondContact CB-O 3.37Å; Y682-S708 WeakPolarHBondContact O-CB 3.29Å; Q686-S708 WeakPolarHBondContact CA-OG 3.27Å; Q686-S708 PolarHBondContact N-OG 2.88Å; I704-S708 WeakPolarHBondContact O-CB 3.33Å; I704-S708 PolarHBondContact O-N 3.07Å; I704-S708 PolarHBondContact O-OG 3.37Å; L706-S708 VanDerWaalsContact C-N 3.32Å; L706-S708 PolarHBondContact O-N 2.86Å; S708-A712 WeakPolarHBondContact O-CB 3.43Å; S708-A712 PolarHBondContact O-N 3.46Å; S708-A712 VanDerWaalsContact O-N 3.13Å
709	R	95	Very high	92.5	Very high	130 Å²	130	53.1 Å²	53.1	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-68	-49	173.3	-76	176.7	176.7	146.1	6	112.5	Y682 Q705 L706 V707 V711 A712 A713	Y682-R709 HydrophobicContact CD2-CG 4.39Å; Y682-R709 HydrophobicContact CG-CG 4.38Å; Q705-R709 WeakPolarHBondContact O-CB 3.43Å; Q705-R709 WeakPolarHBondContact O-CG 3.35Å; Q705-R709 PolarHBondContact O-N 3.19Å; L706-R709 PolarHBondContact O-N 2.98Å; V707-R709 VanDerWaalsContact C-N 3.31Å; V707-R709 PolarHBondContact O-N 3.26Å; R709-V711 PolarHBondContact O-N 2.88Å; R709-A712 PolarHBondContact O-N 3.44Å; R709-A713 WeakPolarHBondContact O-CB 3.43Å; R709-A713 PolarHBondContact O-N 3.18Å
710	K	93.9	Very high	92.6	Very high	91 Å²	91	58 Å²	58	40%	0.396	29%	0.289	S	S	.	.	H	α-helix	trans	-61.2	-44.8	-178.1	-175.5	78.7	170.2	-165.8	0	111.3	L706 V707 A713 L714 I753	L706-K710 WeakPolarHBondContact O-CB 3.36Å; L706-K710 PolarHBondContact O-N 3.38Å; V707-K710 PolarHBondContact O-N 3.27Å; K710-A713 PolarHBondContact O-N 3.26Å; K710-L714 HydrophobicContact CD-CD1 4.33Å; K710-L714 HydrophobicContact CG-CD1 4.21Å; K710-L714 WeakPolarHBondContact O-CG 3.44Å; K710-L714 PolarHBondContact O-N 2.78Å; K710-I753 HydrophobicContact CB-CD1 4.36Å; K710-I753 HydrophobicContact CD-CG2 4.44Å; K710-I753 HydrophobicContact CG-CD1 4.19Å; K710-I753 HydrophobicContact CG-CG2 4.31Å
711	V	94.3	Very high	92.7	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-73	-39.5	-178.8	177.8	0	0	0	0	112	L685 V707 R709 A713 L714 S715 G716 D717 R720 C721 I724	L685-V711 HydrophobicContact CD1-CB 4.04Å; L685-V711 HydrophobicContact CD1-CG1 3.88Å; V707-V711 HydrophobicContact CG1-CG2 3.95Å; V707-V711 WeakPolarHBondContact O-CB 3.38Å; V707-V711 WeakPolarHBondContact O-CG2 3.47Å; V707-V711 PolarHBondContact O-N 2.9Å; R709-V711 PolarHBondContact O-N 2.88Å; V711-A713 VanDerWaalsContact C-N 3.31Å; V711-A713 PolarHBondContact O-N 3.48Å; V711-L714 PolarHBondContact O-N 3.27Å; V711-S715 PolarHBondContact O-N 3.07Å; V711-G716 PolarHBondContact O-N 3.29Å; V711-D717 WeakPolarHBondContact CG1-O 3.37Å; V711-R720 HydrophobicContact CG1-CB 4.47Å; V711-C721 HydrophobicContact CB-CB 4.49Å; V711-C721 HydrophobicContact CG1-CB 4.05Å; V711-C721 HydrophobicContact CG2-CB 4.46Å; V711-I724 HydrophobicContact CG2-CD1 3.42Å; V711-I724 VanDerWaalsContact CG2-CD1 3.42Å
712	A	94.6	Very high	92.9	Very high	31 Å²	31	47.5 Å²	47.5	26%	0.256	24%	0.24	S	C	.	.	H	α-helix	trans	-63.3	-36	174.2	0	0	0	0	0	112.6	L685 S708 R709 L714	L685-A712 HydrophobicContact CD1-CB 4.07Å; S708-A712 WeakPolarHBondContact O-CB 3.43Å; S708-A712 PolarHBondContact O-N 3.46Å; S708-A712 VanDerWaalsContact O-N 3.13Å; R709-A712 PolarHBondContact O-N 3.44Å; A712-L714 VanDerWaalsContact C-N 3.33Å
713	A	93.3	Very high	93	Very high	87 Å²	87	45 Å²	45	72%	0.719	23%	0.226	S	C	*	.	H	α-helix	trans	-70.5	-25.8	176.8	0	0	0	0	0	113.8	R709 K710 V711	R709-A713 WeakPolarHBondContact O-CB 3.43Å; R709-A713 PolarHBondContact O-N 3.18Å; K710-A713 PolarHBondContact O-N 3.26Å; V711-A713 VanDerWaalsContact C-N 3.31Å; V711-A713 PolarHBondContact O-N 3.48Å
714	L	88.8	Confident	93	Very high	95 Å²	95	45 Å²	45	50%	0.497	23%	0.226	S	C	.	.	H	α-helix	trans	-102.9	-30.3	-175.2	-68.7	175.2	0	0	0	114.9	K710 V711 A712 F757	K710-L714 HydrophobicContact CD-CD1 4.33Å; K710-L714 HydrophobicContact CG-CD1 4.21Å; K710-L714 WeakPolarHBondContact O-CG 3.44Å; K710-L714 PolarHBondContact O-N 2.78Å; V711-L714 PolarHBondContact O-N 3.27Å; A712-L714 VanDerWaalsContact C-N 3.33Å; L714-F757 HydrophobicContact CD1-CD1 4.07Å; L714-F757 HydrophobicContact CD1-CE1 3.67Å; L714-F757 HydrophobicContact CD1-CE2 4.42Å; L714-F757 HydrophobicContact CD1-CZ 3.86Å
715	S	85.9	Confident	93	Very high	43 Å²	43	44.2 Å²	44.2	30%	0.301	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-158	-33.1	-173.2	-57.1	0	0	0	0	115.8	V711 D717 R720	V711-S715 PolarHBondContact O-N 3.07Å; S715-D717 VanDerWaalsContact C-N 3.25Å; S715-D717 PolarHBondContact O-N 2.96Å; S715-R720 PolarHBondContact OG-NH1 3.24Å
716	G	90.1	Very high	92.9	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.01	23%	0.225	C	C	.	.			trans	66.5	23.6	-172.5	0	0	0	0	0	114.6	Y680 V711	Y680-G716 PolarHBondContact N-O 3.43Å; V711-G716 PolarHBondContact O-N 3.29Å
717	D	93.1	Very high	92.9	Very high	19 Å²	19	46.2 Å²	46.2	10%	0.102	22%	0.224	C	C	.	.			trans	-92.3	118.1	-179.8	176.3	-6.3	0	0	0	110.5	G536 V711 S715 R719 R720 C721	G536-D717 VanDerWaalsContact CA-OD1 3.23Å; G536-D717 WeakPolarHBondContact CA-OD1 3.44Å; V711-D717 WeakPolarHBondContact CG1-O 3.37Å; S715-D717 VanDerWaalsContact C-N 3.25Å; S715-D717 PolarHBondContact O-N 2.96Å; D717-R719 VanDerWaalsContact C-N 3.33Å; D717-R719 PolarHBondContact O-N 3.07Å; D717-R719 WeakPolarHBondContact OD1-CA 3.32Å; D717-R719 VanDerWaalsContact OD1-CB 3.29Å; D717-R719 WeakPolarHBondContact OD1-CB 3.36Å; D717-R719 PolarHBondContact OD1-N 3.42Å; D717-R720 HydrophobicContact CB-CB 4.29Å; D717-R720 HydrophobicContact CB-CG 4.2Å; D717-R720 WeakPolarHBondContact OD2-CG 3.38Å; D717-R720 IonicContact OD2-NE 3.42Å; D717-R720 PolarHBondContact OD2-NE 3.39Å; D717-C721 PolarHBondContact O-N 3.34Å
718	A	92.9	Very high	92.8	Very high	13 Å²	13	46.2 Å²	46.2	11%	0.107	22%	0.224	C	C	.	.	H	α-helix	trans	-68.3	-27.2	-180	0	0	0	0	0	113.7	G536 Y680 L685 C721 L722	G536-A718 PolarHBondContact O-N 2.83Å; Y680-A718 HydrophobicContact CD2-CB 3.86Å; Y680-A718 HydrophobicContact CE2-CB 3.72Å; L685-A718 HydrophobicContact CD2-CB 4.1Å; A718-C721 WeakPolarHBondContact O-CB 3.47Å; A718-C721 PolarHBondContact O-N 3.27Å; A718-L722 WeakPolarHBondContact O-CG 3.45Å; A718-L722 PolarHBondContact O-N 3.05Å
719	R	92.8	Very high	92.6	Very high	136 Å²	136	46.2 Å²	46.2	51%	0.513	22%	0.224	S	C	.	.	H	α-helix	trans	-66.1	-50.9	177.7	-59.1	179.4	174.8	167.3	-2.2	110.1	V496 D717 C721 L722 D723	V496-R719 HydrophobicContact CG1-CG 3.96Å; V496-R719 HydrophobicContact CG2-CB 4.48Å; D717-R719 VanDerWaalsContact C-N 3.33Å; D717-R719 PolarHBondContact O-N 3.07Å; D717-R719 WeakPolarHBondContact OD1-CA 3.32Å; D717-R719 VanDerWaalsContact OD1-CB 3.29Å; D717-R719 WeakPolarHBondContact OD1-CB 3.36Å; D717-R719 PolarHBondContact OD1-N 3.42Å; R719-C721 VanDerWaalsContact C-N 3.26Å; R719-C721 PolarHBondContact O-N 2.57Å; R719-L722 PolarHBondContact O-N 2.78Å; R719-D723 PolarHBondContact O-N 3.41Å
720	R	92.1	Very high	92.4	Very high	121 Å²	121	42.2 Å²	42.2	46%	0.457	21%	0.211	S	C	.	.	H	α-helix	trans	-55.4	-42.1	173.5	-69.6	176.2	-173.7	-158.1	-13.6	111.8	V711 S715 D717 D723 I724	V711-R720 HydrophobicContact CG1-CB 4.47Å; S715-R720 PolarHBondContact OG-NH1 3.24Å; D717-R720 HydrophobicContact CB-CB 4.29Å; D717-R720 HydrophobicContact CB-CG 4.2Å; D717-R720 WeakPolarHBondContact OD2-CG 3.38Å; D717-R720 IonicContact OD2-NE 3.42Å; D717-R720 PolarHBondContact OD2-NE 3.39Å; R720-D723 PolarHBondContact O-N 3.16Å; R720-I724 VanDerWaalsContact O-CD1 3.3Å; R720-I724 WeakPolarHBondContact O-CD1 3.44Å; R720-I724 VanDerWaalsContact O-CG1 3.25Å; R720-I724 WeakPolarHBondContact O-CG1 3.41Å; R720-I724 PolarHBondContact O-N 3.33Å
721	C	93.5	Very high	92.3	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-58.7	-49.8	177.4	-142.4	0	0	0	0	112	L685 V711 D717 A718 R719 I724 C725	L685-C721 HydrophobicContact CD2-CB 4.15Å; V711-C721 HydrophobicContact CB-CB 4.49Å; V711-C721 HydrophobicContact CG1-CB 4.05Å; V711-C721 HydrophobicContact CG2-CB 4.46Å; D717-C721 PolarHBondContact O-N 3.34Å; A718-C721 WeakPolarHBondContact O-CB 3.47Å; A718-C721 PolarHBondContact O-N 3.27Å; R719-C721 VanDerWaalsContact C-N 3.26Å; R719-C721 PolarHBondContact O-N 2.57Å; C721-I724 PolarHBondContact O-N 2.82Å; C721-C725 PolarHBondContact O-N 3.2Å; C721-C725 PolarHBondContact O-SG 2.97Å
722	L	92.8	Very high	92.1	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-39.6	178.4	-70.4	173	0	0	0	112.7	L494 V496 I689 R692 A718 R719 C725 R726	L494-L722 HydrophobicContact CD2-CD2 3.7Å; V496-L722 HydrophobicContact CG2-CB 4.44Å; I689-L722 HydrophobicContact CG1-CD2 4.4Å; R692-L722 HydrophobicContact CG-CD2 4.45Å; A718-L722 WeakPolarHBondContact O-CG 3.45Å; A718-L722 PolarHBondContact O-N 3.05Å; R719-L722 PolarHBondContact O-N 2.78Å; L722-C725 PolarHBondContact O-N 2.81Å; L722-R726 WeakPolarHBondContact O-CB 3.35Å; L722-R726 PolarHBondContact O-N 3.42Å
723	D	93.4	Very high	91.7	Very high	43 Å²	43	39.4 Å²	39.4	23%	0.23	19%	0.194	C	C	.	.	H	α-helix	trans	-67.2	-33.5	177.5	-82.8	-51.4	0	0	0	113	R719 R720 R726 R727 M756	R719-D723 PolarHBondContact O-N 3.41Å; R720-D723 PolarHBondContact O-N 3.16Å; D723-R726 PolarHBondContact O-N 2.86Å; D723-R726 IonicContact OD1-CZ 3.78Å; D723-R726 VanDerWaalsContact OD1-CZ 3.27Å; D723-R726 IonicContact OD1-NE 3.35Å; D723-R726 PolarHBondContact OD1-NE 2.85Å; D723-R726 IonicContact OD1-NH2 3.39Å; D723-R726 PolarHBondContact OD1-NH2 3.23Å; D723-R727 WeakPolarHBondContact O-CB 3.39Å; D723-R727 PolarHBondContact O-N 3.2Å; D723-M756 HydrophobicContact CB-CE 4.06Å
724	I	93.8	Very high	91.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-45.8	171.8	-66.9	156.6	0	0	0	110.6	V707 V711 R720 C721 R726 R727 A728 A752 I753 M756 F757	V707-I724 HydrophobicContact CG1-CB 4.11Å; V707-I724 HydrophobicContact CG1-CD1 4.41Å; V707-I724 HydrophobicContact CG1-CG2 3.92Å; V707-I724 HydrophobicContact CG2-CG2 4.02Å; V711-I724 HydrophobicContact CG2-CD1 3.42Å; V711-I724 VanDerWaalsContact CG2-CD1 3.42Å; R720-I724 VanDerWaalsContact O-CD1 3.3Å; R720-I724 WeakPolarHBondContact O-CD1 3.44Å; R720-I724 VanDerWaalsContact O-CG1 3.25Å; R720-I724 WeakPolarHBondContact O-CG1 3.41Å; R720-I724 PolarHBondContact O-N 3.33Å; C721-I724 PolarHBondContact O-N 2.82Å; I724-R726 VanDerWaalsContact C-N 3.29Å; I724-R726 PolarHBondContact O-N 3.13Å; I724-R727 PolarHBondContact O-N 2.81Å; I724-A728 WeakPolarHBondContact O-CB 3.21Å; I724-A728 PolarHBondContact O-N 3.43Å; I724-A752 HydrophobicContact CG2-CB 4.42Å; I724-I753 HydrophobicContact CG2-CG1 3.82Å; I724-M756 HydrophobicContact CB-SD 4.25Å; I724-M756 HydrophobicContact CG1-CE 3.78Å; I724-M756 HydrophobicContact CG1-SD 3.6Å; I724-F757 HydrophobicContact CD1-CE2 3.62Å; I724-F757 HydrophobicContact CD1-CZ 4.03Å; I724-F757 HydrophobicContact CG1-CE2 4.44Å
725	C	93	Very high	91.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.7	-40	174.5	-68.6	0	0	0	0	111.8	L494 F699 C721 L722 A728 T729	L494-C725 HydrophobicContact CD1-CB 3.88Å; L494-C725 HydrophobicContact CD2-CB 4.3Å; F699-C725 HydrophobicContact CE1-CB 3.94Å; F699-C725 HydrophobicContact CZ-CB 3.87Å; F699-C725 WeakPolarHBondContact CZ-O 3.31Å; C721-C725 PolarHBondContact O-N 3.2Å; C721-C725 PolarHBondContact O-SG 2.97Å; L722-C725 PolarHBondContact O-N 2.81Å; C725-A728 PolarHBondContact O-N 3.35Å; C725-T729 PolarHBondContact O-N 3.17Å; C725-T729 VanDerWaalsContact O-N 3.08Å
726	R	93.2	Very high	90.5	Very high	73 Å²	73	38.3 Å²	38.3	28%	0.275	18%	0.176	S	C	.	.	H	α-helix	trans	-64.6	-39.8	175.3	-171.9	178.1	61.5	78	-7	112.2	R491 L722 D723 I724 T729 E730	R491-R726 HydrophobicContact CG-CG 4.07Å; L722-R726 WeakPolarHBondContact O-CB 3.35Å; L722-R726 PolarHBondContact O-N 3.42Å; D723-R726 PolarHBondContact O-N 2.86Å; D723-R726 IonicContact OD1-CZ 3.78Å; D723-R726 VanDerWaalsContact OD1-CZ 3.27Å; D723-R726 IonicContact OD1-NE 3.35Å; D723-R726 PolarHBondContact OD1-NE 2.85Å; D723-R726 IonicContact OD1-NH2 3.39Å; D723-R726 PolarHBondContact OD1-NH2 3.23Å; I724-R726 VanDerWaalsContact C-N 3.29Å; I724-R726 PolarHBondContact O-N 3.13Å; R726-T729 PolarHBondContact O-N 2.69Å; R726-T729 PolarHBondContact O-OG1 3.44Å; R726-E730 IonicContact CZ-OE1 2.81Å; R726-E730 IonicContact NH1-OE1 2.69Å; R726-E730 PolarHBondContact NH1-OE1 2.86Å; R726-E730 WeakPolarHBondContact O-CG 3.32Å; R726-E730 PolarHBondContact O-N 2.82Å
727	R	93.6	Very high	89.5	Confident	75 Å²	75	45.1 Å²	45.1	28%	0.283	21%	0.208	S	C	.	.	H	α-helix	trans	-69.1	-38.2	176.3	-172.9	53.9	177.1	163.7	3.5	111.9	D723 I724 T729 E730 I731 A752 E755 M756	D723-R727 WeakPolarHBondContact O-CB 3.39Å; D723-R727 PolarHBondContact O-N 3.2Å; I724-R727 PolarHBondContact O-N 2.81Å; R727-T729 VanDerWaalsContact C-N 3.34Å; R727-T729 PolarHBondContact O-N 2.82Å; R727-E730 WeakPolarHBondContact CD-OE2 3.46Å; R727-E730 IonicContact CZ-OE2 2.7Å; R727-E730 IonicContact NE-OE2 3.67Å; R727-E730 IonicContact NH1-OE2 3.67Å; R727-E730 PolarHBondContact NH1-OE2 2.88Å; R727-E730 WeakPolarHBondContact O-CB 3.46Å; R727-E730 PolarHBondContact O-N 2.82Å; R727-I731 HydrophobicContact CG-CD1 4.19Å; R727-I731 WeakPolarHBondContact O-CG1 3.26Å; R727-I731 PolarHBondContact O-N 2.77Å; R727-A752 HydrophobicContact CB-CB 4.1Å; R727-A752 HydrophobicContact CG-CB 4.04Å; R727-E755 IonicContact CZ-OE1 3.89Å; R727-E755 IonicContact CZ-OE2 3.64Å; R727-E755 VanDerWaalsContact CZ-OE2 3.29Å; R727-E755 IonicContact NE-OE1 2.73Å; R727-E755 IonicContact NE-OE2 2.94Å; R727-E755 PolarHBondContact NE-OE2 2.9Å; R727-E755 VanDerWaalsContact NH2-CD 3.31Å; R727-E755 IonicContact NH2-OE1 2.67Å; R727-E755 PolarHBondContact NH2-OE1 2.89Å; R727-E755 IonicContact NH2-OE2 3.99Å; R727-E755 PolarHBondContact NH2-OE2 3.45Å; R727-M756 HydrophobicContact CB-SD 3.99Å; R727-M756 HydrophobicContact CG-SD 4.41Å
728	A	93.5	Very high	88.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.7	-30.6	175.2	0	0	0	0	0	113.5	I724 C725 C732 V744 I749 A752	I724-A728 WeakPolarHBondContact O-CB 3.21Å; I724-A728 PolarHBondContact O-N 3.43Å; C725-A728 PolarHBondContact O-N 3.35Å; A728-C732 WeakPolarHBondContact O-CB 3.46Å; A728-C732 PolarHBondContact O-N 2.8Å; A728-V744 HydrophobicContact CB-CG1 3.81Å; A728-I749 HydrophobicContact CB-CB 4.47Å; A728-I749 HydrophobicContact CB-CD1 4.49Å; A728-I749 HydrophobicContact CB-CG1 3.51Å; A728-A752 HydrophobicContact CB-CB 4.05Å
729	T	91.3	Very high	86.1	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-71.1	-36.6	170.2	53.6	0	0	0	0	112.5	L487 F699 C725 R726 R727 C732 E733 V744	L487-T729 HydrophobicContact CD2-CG2 4.3Å; F699-T729 HydrophobicContact CE2-CG2 3.58Å; F699-T729 HydrophobicContact CZ-CG2 3.48Å; F699-T729 VanDerWaalsContact CZ-CG2 3.48Å; C725-T729 PolarHBondContact O-N 3.17Å; C725-T729 VanDerWaalsContact O-N 3.08Å; R726-T729 PolarHBondContact O-N 2.69Å; R726-T729 PolarHBondContact O-OG1 3.44Å; R727-T729 VanDerWaalsContact C-N 3.34Å; R727-T729 PolarHBondContact O-N 2.82Å; T729-C732 PolarHBondContact O-N 2.73Å; T729-E733 VanDerWaalsContact O-CB 3.27Å; T729-E733 WeakPolarHBondContact O-CB 3.39Å; T729-E733 PolarHBondContact O-N 2.98Å; T729-V744 HydrophobicContact CG2-CG2 3.63Å
730	E	91	Very high	84.3	Confident	45 Å²	45	54.2 Å²	54.2	21%	0.21	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-43.3	174.6	-67.4	164.5	-164.4	0	0	112	R726 R727 E733 F734	R726-E730 IonicContact CZ-OE1 2.81Å; R726-E730 IonicContact NH1-OE1 2.69Å; R726-E730 PolarHBondContact NH1-OE1 2.86Å; R726-E730 WeakPolarHBondContact O-CG 3.32Å; R726-E730 PolarHBondContact O-N 2.82Å; R727-E730 WeakPolarHBondContact CD-OE2 3.46Å; R727-E730 IonicContact CZ-OE2 2.7Å; R727-E730 IonicContact NE-OE2 3.67Å; R727-E730 IonicContact NH1-OE2 3.67Å; R727-E730 PolarHBondContact NH1-OE2 2.88Å; R727-E730 WeakPolarHBondContact O-CB 3.46Å; R727-E730 PolarHBondContact O-N 2.82Å; E730-E733 PolarHBondContact O-N 2.94Å; E730-F734 PolarHBondContact O-N 2.94Å; E730-F734 VanDerWaalsContact O-N 3.09Å
731	I	91.6	Very high	82.6	Confident	15 Å²	15	51.5 Å²	51.5	8%	0.077	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-46	173.8	-68.6	167.7	0	0	0	110.5	R727 E733 F734 A735 H748 E751 A752	R727-I731 HydrophobicContact CG-CD1 4.19Å; R727-I731 WeakPolarHBondContact O-CG1 3.26Å; R727-I731 PolarHBondContact O-N 2.77Å; I731-E733 VanDerWaalsContact C-N 3.33Å; I731-E733 PolarHBondContact O-N 2.65Å; I731-F734 PolarHBondContact O-N 2.95Å; I731-A735 WeakPolarHBondContact O-CB 3.39Å; I731-A735 PolarHBondContact O-N 2.86Å; I731-H748 HydrophobicContact CG2-CB 4.09Å; I731-E751 HydrophobicContact CD1-CB 4.25Å; I731-E751 HydrophobicContact CD1-CG 4.07Å; I731-E751 HydrophobicContact CG2-CG 4.49Å; I731-E751 WeakPolarHBondContact CG2-OE2 3.42Å; I731-A752 HydrophobicContact CD1-CB 3.94Å
732	C	89.4	Confident	81.6	Confident	1 Å²	1	53 Å²	53	1%	0.007	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-39	177	-169.6	0	0	0	0	112.6	L487 A728 T729 A735 S736 I743 V744 H748	L487-C732 HydrophobicContact CD1-CB 4.42Å; A728-C732 WeakPolarHBondContact O-CB 3.46Å; A728-C732 PolarHBondContact O-N 2.8Å; T729-C732 PolarHBondContact O-N 2.73Å; C732-A735 PolarHBondContact O-N 3.49Å; C732-S736 VanDerWaalsContact O-CB 3.29Å; C732-S736 WeakPolarHBondContact O-CB 3.23Å; C732-S736 PolarHBondContact O-N 2.9Å; C732-I743 PolarHBondContact SG-O 2.97Å; C732-V744 HydrophobicContact CB-CG2 3.94Å; C732-H748 WeakPolarHBondContact CB-ND1 3.48Å; C732-H748 VanDerWaalsContact SG-CE1 3.57Å; C732-H748 PolarHBondContact SG-ND1 2.78Å; C732-H748 VanDerWaalsContact SG-ND1 3.4Å
733	E	87.3	Confident	81.3	Confident	50 Å²	50	56 Å²	56	23%	0.234	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-45.4	176	-178.2	174	-144.1	0	0	110.8	L487 R491 T729 E730 I731 S736 Q737	L487-E733 HydrophobicContact CD1-CB 4.38Å; R491-E733 IonicContact CZ-OE2 2.72Å; R491-E733 IonicContact NH1-OE1 2.71Å; R491-E733 IonicContact NH1-OE2 2.66Å; R491-E733 PolarHBondContact NH1-OE2 3.11Å; R491-E733 IonicContact NH2-OE1 2.69Å; R491-E733 IonicContact NH2-OE2 2.73Å; T729-E733 VanDerWaalsContact O-CB 3.27Å; T729-E733 WeakPolarHBondContact O-CB 3.39Å; T729-E733 PolarHBondContact O-N 2.98Å; E730-E733 PolarHBondContact O-N 2.94Å; I731-E733 VanDerWaalsContact C-N 3.33Å; I731-E733 PolarHBondContact O-N 2.65Å; E733-S736 PolarHBondContact O-N 2.89Å; E733-Q737 WeakPolarHBondContact O-CG 3.47Å; E733-Q737 PolarHBondContact O-N 2.84Å; E733-Q737 VanDerWaalsContact O-N 3.16Å
734	F	85.6	Confident	81.1	Confident	122 Å²	122	53.9 Å²	53.9	54%	0.535	28%	0.281	S	S	.	.	H	α-helix	trans	-68.1	-33.5	177.2	-171.8	-114.2	0	0	0	113.5	E730 I731 K738	E730-F734 PolarHBondContact O-N 2.94Å; E730-F734 VanDerWaalsContact O-N 3.09Å; I731-F734 PolarHBondContact O-N 2.95Å; F734-K738 VanDerWaalsContact CZ-NZ 3.32Å
735	A	82.9	Confident	81	Confident	36 Å²	36	59.3 Å²	59.3	30%	0.298	30%	0.301	S	S	.	.	H	α-helix	trans	-70.7	-42.8	173.4	0	0	0	0	0	111.9	I731 C732 Q737 K738 N739	I731-A735 WeakPolarHBondContact O-CB 3.39Å; I731-A735 PolarHBondContact O-N 2.86Å; C732-A735 PolarHBondContact O-N 3.49Å; A735-Q737 VanDerWaalsContact C-N 3.29Å; A735-Q737 PolarHBondContact O-N 2.85Å; A735-K738 WeakPolarHBondContact O-CA 3.15Å; A735-K738 WeakPolarHBondContact O-CB 3.32Å; A735-K738 PolarHBondContact O-N 2.82Å; A735-N739 PolarHBondContact O-N 2.86Å
736	S	73.8	Confident	80.9	Confident	43 Å²	43	62.1 Å²	62.1	30%	0.301	32%	0.315	S	S	.	.	H	α-helix	trans	-68.5	-26.9	-178.1	-148.1	0	0	0	0	112.8	C732 E733 K738 T740 G742	C732-S736 VanDerWaalsContact O-CB 3.29Å; C732-S736 WeakPolarHBondContact O-CB 3.23Å; C732-S736 PolarHBondContact O-N 2.9Å; E733-S736 PolarHBondContact O-N 2.89Å; S736-K738 PolarHBondContact O-N 2.88Å; S736-T740 WeakPolarHBondContact CB-O 3.39Å; S736-T740 PolarHBondContact OG-O 3.45Å; S736-G742 PolarHBondContact OG-N 3.48Å
737	Q	69.4	Low	80.8	Confident	144 Å²	144	61.4 Å²	61.4	67%	0.673	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.7	166.9	-73.6	174.8	19.1	0	0	114	E733 A735	E733-Q737 WeakPolarHBondContact O-CG 3.47Å; E733-Q737 PolarHBondContact O-N 2.84Å; E733-Q737 VanDerWaalsContact O-N 3.16Å; A735-Q737 VanDerWaalsContact C-N 3.29Å; A735-Q737 PolarHBondContact O-N 2.85Å
738	K	64.1	Low	80.8	Confident	136 Å²	136	59 Å²	59	59%	0.591	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-38.6	-176.8	-65.4	179.9	-177	175.4	0	113.3	F734 A735 S736	F734-K738 VanDerWaalsContact CZ-NZ 3.32Å; A735-K738 WeakPolarHBondContact O-CA 3.15Å; A735-K738 WeakPolarHBondContact O-CB 3.32Å; A735-K738 PolarHBondContact O-N 2.82Å; S736-K738 PolarHBondContact O-N 2.88Å
739	N	50.3	Low	80.9	Confident	134 Å²	134	59 Å²	59	72%	0.717	32%	0.316	S	S	*	.	S	Bend	trans	-178.5	147.4	154.1	-103.3	-48.2	0	0	0	113.1	A735	A735-N739 PolarHBondContact O-N 2.86Å
740	T	54.5	Low	80.9	Confident	90 Å²	90	61.7 Å²	61.7	55%	0.552	33%	0.333	S	S	*	.	S	Bend	trans	76	143.5	171.3	78.4	0	0	0	0	119.4	S736	S736-T740 WeakPolarHBondContact CB-O 3.39Å; S736-T740 PolarHBondContact OG-O 3.45Å
741	C	57.3	Low	81.1	Confident	64 Å²	64	64.9 Å²	64.9	43%	0.432	35%	0.348	S	S	.	.			trans	27.3	109	158.1	-155.7	0	0	0	0	119.5	I743	C741-I743 PolarHBondContact O-N 2.78Å
742	G	72.6	Confident	81.2	Confident	34 Å²	34	64.2 Å²	64.2	35%	0.351	35%	0.345	S	S	.	.	S	Bend	trans	-77.5	52.4	172.2	0	0	0	0	0	114.9	S736	S736-G742 PolarHBondContact OG-N 3.48Å
743	I	85.5	Confident	81.4	Confident	69 Å²	69	64.4 Å²	64.4	35%	0.354	35%	0.346	S	S	.	.	S	Bend	trans	-124.9	130.2	172	-59.9	176.5	0	0	0	108.5	C732 C741 R745	C732-I743 PolarHBondContact SG-O 2.97Å; C741-I743 PolarHBondContact O-N 2.78Å; I743-R745 PolarHBondContact O-N 2.99Å; I743-R745 VanDerWaalsContact O-N 3.15Å
744	V	89.8	Confident	81.5	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-70.7	109.8	178.1	-174.8	0	0	0	0	110	L487 A698 F699 E700 A728 T729 C732 H748 I749	L487-V744 HydrophobicContact CD2-CG2 4.14Å; A698-V744 PolarHBondContact O-N 3.45Å; F699-V744 HydrophobicContact CD1-CB 3.65Å; F699-V744 HydrophobicContact CD1-CG1 3.79Å; F699-V744 HydrophobicContact CD1-CG2 4.15Å; F699-V744 HydrophobicContact CD2-CB 4.48Å; F699-V744 HydrophobicContact CD2-CG2 4.34Å; F699-V744 HydrophobicContact CE1-CB 3.9Å; F699-V744 HydrophobicContact CE1-CG1 3.77Å; F699-V744 HydrophobicContact CE1-CG2 4Å; F699-V744 HydrophobicContact CE2-CG2 4.19Å; F699-V744 HydrophobicContact CG-CB 3.98Å; F699-V744 HydrophobicContact CG-CG2 4.32Å; F699-V744 HydrophobicContact CZ-CB 4.42Å; F699-V744 HydrophobicContact CZ-CG2 4.04Å; E700-V744 WeakPolarHBondContact CB-O 3.06Å; E700-V744 PolarHBondContact N-O 3.31Å; A728-V744 HydrophobicContact CB-CG1 3.81Å; T729-V744 HydrophobicContact CG2-CG2 3.63Å; C732-V744 HydrophobicContact CB-CG2 3.94Å; V744-H748 HydrophobicContact CG1-CB 4.31Å; V744-I749 HydrophobicContact CG1-CD1 4.05Å; V744-I749 HydrophobicContact CG1-CG1 3.84Å
745	R	91.4	Very high	81.7	Confident	113 Å²	113	65.8 Å²	65.8	43%	0.426	36%	0.357	S	S	.	.			trans	-89	165.2	173.3	-64.3	179.4	-179.9	136.3	-2.7	111.7	E700 I743 A747 H748	E700-R745 WeakPolarHBondContact OE2-CA 3.31Å; I743-R745 PolarHBondContact O-N 2.99Å; I743-R745 VanDerWaalsContact O-N 3.15Å; R745-A747 PolarHBondContact O-N 3.49Å; R745-A747 VanDerWaalsContact O-N 3.14Å; R745-H748 PolarHBondContact O-N 3.16Å
746	M	91.3	Very high	82	Confident	59 Å²	59	68.1 Å²	68.1	29%	0.291	36%	0.363	S	S	.	.	H	α-helix	trans	-44.1	-43.9	171.8	-164.2	69	72.6	0	0	114.6	E700 D702 A703 L706 H748 I749 T750	E700-M746 PolarHBondContact OE2-N 3.38Å; D702-M746 VanDerWaalsContact C-CE 3.42Å; D702-M746 HydrophobicContact CB-CE 3.63Å; D702-M746 WeakPolarHBondContact O-CE 3.41Å; A703-M746 HydrophobicContact CB-SD 4.44Å; L706-M746 HydrophobicContact CB-CE 4.18Å; L706-M746 HydrophobicContact CB-SD 3.46Å; L706-M746 WeakPolarHBondContact CB-SD 3.4Å; L706-M746 HydrophobicContact CD1-SD 3.59Å; L706-M746 VanDerWaalsContact CD1-SD 3.59Å; L706-M746 HydrophobicContact CD2-SD 4.07Å; L706-M746 HydrophobicContact CG-SD 3.86Å; M746-H748 PolarHBondContact O-N 2.91Å; M746-I749 WeakPolarHBondContact O-CB 3.43Å; M746-I749 PolarHBondContact O-N 3.45Å; M746-I749 VanDerWaalsContact O-N 3.09Å; M746-T750 PolarHBondContact O-N 3.14Å; M746-T750 PolarHBondContact O-OG1 2.78Å
747	A	91.6	Very high	82.6	Confident	58 Å²	58	69.9 Å²	69.9	48%	0.479	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-42.3	-175.4	0	0	0	0	0	113.5	R745 I749 T750 E751	R745-A747 PolarHBondContact O-N 3.49Å; R745-A747 VanDerWaalsContact O-N 3.14Å; A747-I749 PolarHBondContact O-N 3.27Å; A747-T750 WeakPolarHBondContact CA-OG1 3.24Å; A747-T750 PolarHBondContact O-N 3.47Å; A747-T750 PolarHBondContact O-OG1 3.36Å; A747-E751 WeakPolarHBondContact O-CB 3.29Å; A747-E751 PolarHBondContact O-N 3.4Å
748	H	93.1	Very high	83.4	Confident	24 Å²	24	65.4 Å²	65.4	11%	0.111	35%	0.35	C	S	.	.	H	α-helix	trans	-68	-25.9	178.6	-45.1	155.6	0	0	0	111.2	I731 C732 V744 R745 M746 A752	I731-H748 HydrophobicContact CG2-CB 4.09Å; C732-H748 WeakPolarHBondContact CB-ND1 3.48Å; C732-H748 VanDerWaalsContact SG-CE1 3.57Å; C732-H748 PolarHBondContact SG-ND1 2.78Å; C732-H748 VanDerWaalsContact SG-ND1 3.4Å; V744-H748 HydrophobicContact CG1-CB 4.31Å; R745-H748 PolarHBondContact O-N 3.16Å; M746-H748 PolarHBondContact O-N 2.91Å; H748-A752 WeakPolarHBondContact O-CB 3.48Å; H748-A752 PolarHBondContact O-N 3.4Å
749	I	94.1	Very high	84.5	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-79.4	-39.5	175.8	-74.3	-175.1	0	0	0	111.6	F699 A703 L706 V707 A728 V744 M746 A747 E751 A752 I753	F699-I749 HydrophobicContact CD1-CD1 4.22Å; F699-I749 HydrophobicContact CE1-CD1 4.3Å; A703-I749 HydrophobicContact CB-CD1 3.55Å; A703-I749 WeakPolarHBondContact O-CD1 3.4Å; L706-I749 HydrophobicContact CD2-CG2 3.67Å; V707-I749 HydrophobicContact CG2-CB 4.41Å; V707-I749 HydrophobicContact CG2-CD1 3.66Å; V707-I749 HydrophobicContact CG2-CG1 4.23Å; V707-I749 HydrophobicContact CG2-CG2 3.37Å; A728-I749 HydrophobicContact CB-CB 4.47Å; A728-I749 HydrophobicContact CB-CD1 4.49Å; A728-I749 HydrophobicContact CB-CG1 3.51Å; V744-I749 HydrophobicContact CG1-CD1 4.05Å; V744-I749 HydrophobicContact CG1-CG1 3.84Å; M746-I749 WeakPolarHBondContact O-CB 3.43Å; M746-I749 PolarHBondContact O-N 3.45Å; M746-I749 VanDerWaalsContact O-N 3.09Å; A747-I749 PolarHBondContact O-N 3.27Å; I749-E751 VanDerWaalsContact C-N 3.33Å; I749-A752 PolarHBondContact O-N 3.48Å; I749-I753 HydrophobicContact CG2-CD1 3.71Å; I749-I753 HydrophobicContact CG2-CG1 4.42Å; I749-I753 WeakPolarHBondContact O-CB 3.34Å; I749-I753 WeakPolarHBondContact O-CD1 3.35Å; I749-I753 WeakPolarHBondContact O-CG1 3.49Å; I749-I753 PolarHBondContact O-N 2.97Å
750	T	93.4	Very high	86.4	Confident	58 Å²	58	59 Å²	59	36%	0.356	33%	0.331	S	S	.	.	H	α-helix	trans	-62.7	-41.9	171.7	42.9	0	0	0	0	111.1	L706 M746 A747 I753 D754	L706-T750 HydrophobicContact CD2-CG2 4.39Å; M746-T750 PolarHBondContact O-N 3.14Å; M746-T750 PolarHBondContact O-OG1 2.78Å; A747-T750 WeakPolarHBondContact CA-OG1 3.24Å; A747-T750 PolarHBondContact O-N 3.47Å; A747-T750 PolarHBondContact O-OG1 3.36Å; T750-I753 PolarHBondContact O-N 2.88Å; T750-D754 PolarHBondContact O-N 3.4Å
751	E	93.3	Very high	88.1	Confident	113 Å²	113	59.3 Å²	59.3	53%	0.528	32%	0.322	S	S	.	.	H	α-helix	trans	-60.7	-46.5	174.2	-167.5	179.7	167.9	0	0	112	I731 A747 I749 I753 D754 E755	I731-E751 HydrophobicContact CD1-CB 4.25Å; I731-E751 HydrophobicContact CD1-CG 4.07Å; I731-E751 HydrophobicContact CG2-CG 4.49Å; I731-E751 WeakPolarHBondContact CG2-OE2 3.42Å; A747-E751 WeakPolarHBondContact O-CB 3.29Å; A747-E751 PolarHBondContact O-N 3.4Å; I749-E751 VanDerWaalsContact C-N 3.33Å; E751-I753 VanDerWaalsContact C-N 3.34Å; E751-I753 PolarHBondContact O-N 2.83Å; E751-D754 PolarHBondContact O-N 3.42Å; E751-E755 WeakPolarHBondContact O-CB 3.49Å; E751-E755 PolarHBondContact O-N 2.9Å
752	A	94.7	Very high	89.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-38	174.4	0	0	0	0	0	113.3	I724 R727 A728 I731 H748 I749 M756	I724-A752 HydrophobicContact CG2-CB 4.42Å; R727-A752 HydrophobicContact CB-CB 4.1Å; R727-A752 HydrophobicContact CG-CB 4.04Å; A728-A752 HydrophobicContact CB-CB 4.05Å; I731-A752 HydrophobicContact CD1-CB 3.94Å; H748-A752 WeakPolarHBondContact O-CB 3.48Å; H748-A752 PolarHBondContact O-N 3.4Å; I749-A752 PolarHBondContact O-N 3.48Å; A752-M756 VanDerWaalsContact O-CB 3.3Å; A752-M756 WeakPolarHBondContact O-CB 2.99Å; A752-M756 VanDerWaalsContact O-CG 3.26Å; A752-M756 WeakPolarHBondContact O-CG 3.48Å; A752-M756 PolarHBondContact O-N 3.31Å
753	I	92.8	Very high	90.5	Very high	6 Å²	6	59.2 Å²	59.2	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-66.9	-45.1	176.5	-76.5	166.7	0	0	0	110.1	L706 K710 I724 I749 T750 E751 M756 F757	L706-I753 HydrophobicContact CD2-CD1 3.55Å; K710-I753 HydrophobicContact CB-CD1 4.36Å; K710-I753 HydrophobicContact CD-CG2 4.44Å; K710-I753 HydrophobicContact CG-CD1 4.19Å; K710-I753 HydrophobicContact CG-CG2 4.31Å; I724-I753 HydrophobicContact CG2-CG1 3.82Å; I749-I753 HydrophobicContact CG2-CD1 3.71Å; I749-I753 HydrophobicContact CG2-CG1 4.42Å; I749-I753 WeakPolarHBondContact O-CB 3.34Å; I749-I753 WeakPolarHBondContact O-CD1 3.35Å; I749-I753 WeakPolarHBondContact O-CG1 3.49Å; I749-I753 PolarHBondContact O-N 2.97Å; T750-I753 PolarHBondContact O-N 2.88Å; E751-I753 VanDerWaalsContact C-N 3.34Å; E751-I753 PolarHBondContact O-N 2.83Å; I753-M756 PolarHBondContact O-N 3.43Å; I753-F757 HydrophobicContact CB-CD2 4.41Å; I753-F757 HydrophobicContact CG2-CD2 3.88Å; I753-F757 HydrophobicContact CG2-CE2 4.46Å; I753-F757 VanDerWaalsContact O-CB 3.31Å; I753-F757 WeakPolarHBondContact O-CB 3.18Å; I753-F757 VanDerWaalsContact O-CD2 3.31Å; I753-F757 WeakPolarHBondContact O-CD2 3.45Å; I753-F757 PolarHBondContact O-N 2.87Å
754	D	90.6	Very high	90.8	Very high	102 Å²	102	57.7 Å²	57.7	55%	0.545	31%	0.307	S	S	.	.	H	α-helix	trans	-71.7	-34.2	-178.7	-66.1	-26.1	0	0	0	111.4	T750 E751 S758	T750-D754 PolarHBondContact O-N 3.4Å; E751-D754 PolarHBondContact O-N 3.42Å; D754-S758 WeakPolarHBondContact O-CA 3.44Å; D754-S758 WeakPolarHBondContact O-CB 3.44Å; D754-S758 PolarHBondContact O-N 3.05Å; D754-S758 PolarHBondContact O-OG 3.09Å
755	E	90	Very high	91	Very high	98 Å²	98	57.7 Å²	57.7	46%	0.458	31%	0.307	S	S	.	.	H	α-helix	trans	-63.5	-43.7	169.5	-170.7	-178.8	-168.3	0	0	112.2	R727 E751	R727-E755 IonicContact CZ-OE1 3.89Å; R727-E755 IonicContact CZ-OE2 3.64Å; R727-E755 VanDerWaalsContact CZ-OE2 3.29Å; R727-E755 IonicContact NE-OE1 2.73Å; R727-E755 IonicContact NE-OE2 2.94Å; R727-E755 PolarHBondContact NE-OE2 2.9Å; R727-E755 VanDerWaalsContact NH2-CD 3.31Å; R727-E755 IonicContact NH2-OE1 2.67Å; R727-E755 PolarHBondContact NH2-OE1 2.89Å; R727-E755 IonicContact NH2-OE2 3.99Å; R727-E755 PolarHBondContact NH2-OE2 3.45Å; E751-E755 WeakPolarHBondContact O-CB 3.49Å; E751-E755 PolarHBondContact O-N 2.9Å
756	M	88.4	Confident	90.9	Very high	85 Å²	85	57.1 Å²	57.1	42%	0.419	31%	0.305	S	S	.	.	H	α-helix	trans	-83.2	-21.5	-175.8	-69.8	-178.4	65.9	0	0	115.1	D723 I724 R727 A752 I753	D723-M756 HydrophobicContact CB-CE 4.06Å; I724-M756 HydrophobicContact CB-SD 4.25Å; I724-M756 HydrophobicContact CG1-CE 3.78Å; I724-M756 HydrophobicContact CG1-SD 3.6Å; R727-M756 HydrophobicContact CB-SD 3.99Å; R727-M756 HydrophobicContact CG-SD 4.41Å; A752-M756 VanDerWaalsContact O-CB 3.3Å; A752-M756 WeakPolarHBondContact O-CB 2.99Å; A752-M756 VanDerWaalsContact O-CG 3.26Å; A752-M756 WeakPolarHBondContact O-CG 3.48Å; A752-M756 PolarHBondContact O-N 3.31Å; I753-M756 PolarHBondContact O-N 3.43Å
757	F	85.5	Confident	90.9	Very high	81 Å²	81	59 Å²	59	36%	0.355	32%	0.323	S	S	.	.	H	α-helix	trans	-115.7	-6.2	-178.8	-68	-78.5	0	0	0	114.6	L714 I724 I753	L714-F757 HydrophobicContact CD1-CD1 4.07Å; L714-F757 HydrophobicContact CD1-CE1 3.67Å; L714-F757 HydrophobicContact CD1-CE2 4.42Å; L714-F757 HydrophobicContact CD1-CZ 3.86Å; I724-F757 HydrophobicContact CD1-CE2 3.62Å; I724-F757 HydrophobicContact CD1-CZ 4.03Å; I724-F757 HydrophobicContact CG1-CE2 4.44Å; I753-F757 HydrophobicContact CB-CD2 4.41Å; I753-F757 HydrophobicContact CG2-CD2 3.88Å; I753-F757 HydrophobicContact CG2-CE2 4.46Å; I753-F757 VanDerWaalsContact O-CB 3.31Å; I753-F757 WeakPolarHBondContact O-CB 3.18Å; I753-F757 VanDerWaalsContact O-CD2 3.31Å; I753-F757 WeakPolarHBondContact O-CD2 3.45Å; I753-F757 PolarHBondContact O-N 2.87Å
758	S	86.8	Confident	90.9	Very high	50 Å²	50	57 Å²	57	35%	0.35	31%	0.307	S	S	.	.	S	Bend	trans	-62.8	140.7	171.6	56.8	0	0	0	0	111.1	D754 P760 N763	D754-S758 WeakPolarHBondContact O-CA 3.44Å; D754-S758 WeakPolarHBondContact O-CB 3.44Å; D754-S758 PolarHBondContact O-N 3.05Å; D754-S758 PolarHBondContact O-OG 3.09Å; S758-P760 VanDerWaalsContact O-CD 3.29Å; S758-P760 WeakPolarHBondContact O-CD 3.31Å; S758-N763 PolarHBondContact OG-ND2 3.23Å
759	S	87.9	Confident	90.8	Very high	46 Å²	46	58.3 Å²	58.3	32%	0.322	32%	0.319	S	S	.	.			trans	-70.9	115.6	178.3	-179.2	0	0	0	0	109.3	Y761 I762 N763	S759-Y761 PolarHBondContact O-N 3.33Å; S759-Y761 VanDerWaalsContact O-N 3.14Å; S759-I762 PolarHBondContact O-N 2.93Å; S759-I762 VanDerWaalsContact O-N 3.1Å; S759-N763 PolarHBondContact O-N 2.83Å
760	P	89.4	Confident	90.6	Very high	90 Å²	90	62.2 Å²	62.2	58%	0.584	34%	0.339	S	S	*	.	H	α-helix	trans	-62.7	-25.1	-179.7	26.7	-34.8	0	0	0	111.4	S758 A764	S758-P760 VanDerWaalsContact O-CD 3.29Å; S758-P760 WeakPolarHBondContact O-CD 3.31Å; P760-A764 VanDerWaalsContact O-CB 3.22Å; P760-A764 WeakPolarHBondContact O-CB 3.47Å; P760-A764 PolarHBondContact O-N 2.88Å
761	Y	91.5	Very high	90.5	Very high	96 Å²	96	62 Å²	62	38%	0.376	33%	0.334	S	S	.	.	H	α-helix	trans	-65.6	-41	175.4	-60.4	-57.4	0	0	0	113.1	S759 A764 I765 L829 I847	S759-Y761 PolarHBondContact O-N 3.33Å; S759-Y761 VanDerWaalsContact O-N 3.14Å; Y761-A764 PolarHBondContact O-N 3.2Å; Y761-I765 WeakPolarHBondContact O-CD1 3.31Å; Y761-I765 VanDerWaalsContact O-CG1 3.28Å; Y761-I765 WeakPolarHBondContact O-CG1 3.21Å; Y761-I765 PolarHBondContact O-N 2.72Å; Y761-L829 HydrophobicContact CD1-CD2 3.81Å; Y761-I847 HydrophobicContact CD1-CD1 4.06Å; Y761-I847 HydrophobicContact CD1-CG1 4.4Å; Y761-I847 HydrophobicContact CD2-CG1 4.47Å; Y761-I847 HydrophobicContact CG-CD1 3.98Å; Y761-I847 HydrophobicContact CG-CG1 4.1Å
762	I	90.6	Very high	90.5	Very high	23 Å²	23	57.8 Å²	57.8	12%	0.118	31%	0.314	C	S	.	.	H	α-helix	trans	-67.3	-43.9	177.6	-66.8	176.1	0	0	0	109.8	S759 A764 I765 R766 Y854 A855	S759-I762 PolarHBondContact O-N 2.93Å; S759-I762 VanDerWaalsContact O-N 3.1Å; I762-A764 VanDerWaalsContact C-N 3.32Å; I762-A764 PolarHBondContact O-N 3.45Å; I762-I765 PolarHBondContact O-N 3.46Å; I762-R766 PolarHBondContact O-N 2.87Å; I762-Y854 HydrophobicContact CD1-CD1 4.27Å; I762-Y854 HydrophobicContact CD1-CE1 4.46Å; I762-Y854 HydrophobicContact CG2-CE1 4.4Å; I762-A855 HydrophobicContact CG2-CB 4.05Å
763	N	89.4	Confident	90.5	Very high	73 Å²	73	59.8 Å²	59.8	39%	0.39	32%	0.324	S	S	.	.	H	α-helix	trans	-65.2	-36.1	177	-65.2	-14.6	0	0	0	111.7	S758 S759 S767	S758-N763 PolarHBondContact OG-ND2 3.23Å; S759-N763 PolarHBondContact O-N 2.83Å; N763-S767 WeakPolarHBondContact O-CB 3.33Å; N763-S767 PolarHBondContact O-N 3.22Å; N763-S767 PolarHBondContact O-OG 3.36Å
764	A	92.2	Very high	90.5	Very high	36 Å²	36	59.5 Å²	59.5	30%	0.298	32%	0.322	S	S	.	.	H	α-helix	trans	-67.1	-35.5	174.4	0	0	0	0	0	113.2	P760 Y761 I762 S767 A768 L829	P760-A764 VanDerWaalsContact O-CB 3.22Å; P760-A764 WeakPolarHBondContact O-CB 3.47Å; P760-A764 PolarHBondContact O-N 2.88Å; Y761-A764 PolarHBondContact O-N 3.2Å; I762-A764 VanDerWaalsContact C-N 3.32Å; I762-A764 PolarHBondContact O-N 3.45Å; A764-S767 PolarHBondContact O-OG 3.44Å; A764-A768 WeakPolarHBondContact O-CB 3.33Å; A764-A768 PolarHBondContact O-N 3.4Å; A764-L829 HydrophobicContact CB-CD1 4.49Å; A764-L829 HydrophobicContact CB-CD2 4.27Å
765	I	92.5	Very high	90.6	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-72.1	-43.7	175.7	-67.1	162.6	0	0	0	111	Y761 I762 S767 A768 Q773 L776 L829 I847 V852 A855 L856	Y761-I765 WeakPolarHBondContact O-CD1 3.31Å; Y761-I765 VanDerWaalsContact O-CG1 3.28Å; Y761-I765 WeakPolarHBondContact O-CG1 3.21Å; Y761-I765 PolarHBondContact O-N 2.72Å; I762-I765 PolarHBondContact O-N 3.46Å; I765-S767 PolarHBondContact O-N 3.14Å; I765-A768 WeakPolarHBondContact O-CB 3.36Å; I765-A768 PolarHBondContact O-N 2.87Å; I765-Q773 PolarHBondContact O-NE2 2.99Å; I765-Q773 VanDerWaalsContact O-NE2 3.09Å; I765-L776 HydrophobicContact CG1-CD1 3.96Å; I765-L776 HydrophobicContact CG2-CD1 4Å; I765-L829 HydrophobicContact CG1-CD1 4.15Å; I765-L829 HydrophobicContact CG1-CD2 4.36Å; I765-I847 HydrophobicContact CD1-CD1 4.14Å; I765-V852 HydrophobicContact CD1-CB 4.47Å; I765-V852 HydrophobicContact CD1-CG1 4.35Å; I765-V852 HydrophobicContact CD1-CG2 3.97Å; I765-A855 HydrophobicContact CB-CB 3.88Å; I765-A855 HydrophobicContact CD1-CB 4.32Å; I765-A855 HydrophobicContact CG2-CB 3.6Å; I765-L856 HydrophobicContact CG2-CD2 3.63Å; I765-L856 HydrophobicContact CG2-CG 3.87Å
766	R	90.3	Very high	90.8	Very high	101 Å²	101	50 Å²	50	38%	0.381	28%	0.275	S	S	.	.	H	α-helix	trans	-62.4	-28.4	174.9	-76	-178.4	172.8	144	-3.6	113.3	I762 Y854 D858	I762-R766 PolarHBondContact O-N 2.87Å; R766-Y854 PolarHBondContact NH2-OH 2.82Å; R766-Y854 VanDerWaalsContact NH2-OH 3.14Å; R766-D858 IonicContact CZ-OD2 4Å; R766-D858 IonicContact NE-OD2 3.82Å; R766-D858 PolarHBondContact NE-OD2 3.25Å; R766-D858 IonicContact NH2-OD2 2.7Å; R766-D858 PolarHBondContact NH2-OD2 2.85Å
767	S	90.3	Very high	91.1	Very high	97 Å²	97	49.2 Å²	49.2	68%	0.678	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	3	176.3	56.6	0	0	0	0	114.8	N763 A764 I765	N763-S767 WeakPolarHBondContact O-CB 3.33Å; N763-S767 PolarHBondContact O-N 3.22Å; N763-S767 PolarHBondContact O-OG 3.36Å; A764-S767 PolarHBondContact O-OG 3.44Å; I765-S767 PolarHBondContact O-N 3.14Å
768	A	91.7	Very high	91.5	Very high	17 Å²	17	45.4 Å²	45.4	14%	0.14	25%	0.252	C	S	.	.	S	Bend	trans	-71.2	155.5	174.4	0	0	0	0	0	111.6	A764 I765 E772 Q773	A764-A768 WeakPolarHBondContact O-CB 3.33Å; A764-A768 PolarHBondContact O-N 3.4Å; I765-A768 WeakPolarHBondContact O-CB 3.36Å; I765-A768 PolarHBondContact O-N 2.87Å; A768-E772 HydrophobicContact CB-CB 3.86Å; A768-Q773 HydrophobicContact CB-CG 4.2Å
769	S	92.3	Very high	91.8	Very high	51 Å²	51	43 Å²	43	36%	0.357	24%	0.235	S	C	.	.			trans	-67.6	158	176.2	65.8	0	0	0	0	112.2	H771 E772 Q773	S769-H771 PolarHBondContact O-N 3.48Å; S769-H771 VanDerWaalsContact O-N 3.17Å; S769-E772 VanDerWaalsContact CB-OE2 3.3Å; S769-E772 WeakPolarHBondContact CB-OE2 3.46Å; S769-E772 PolarHBondContact N-OE2 3.44Å; S769-E772 WeakPolarHBondContact O-CA 3.3Å; S769-E772 WeakPolarHBondContact O-CB 3.25Å; S769-E772 PolarHBondContact O-N 3.31Å; S769-E772 WeakPolarHBondContact OG-CG 3.37Å; S769-E772 PolarHBondContact OG-OE2 3.33Å; S769-Q773 PolarHBondContact O-N 3.13Å
770	L	90.2	Very high	92.1	Very high	82 Å²	82	41 Å²	41	43%	0.429	22%	0.221	S	C	.	.	H	α-helix	trans	-54.6	-38	-179.4	-176.3	61.4	0	0	0	112.9	Q773 I774 M809	L770-Q773 PolarHBondContact O-N 2.97Å; L770-I774 HydrophobicContact CD1-CD1 4.03Å; L770-I774 HydrophobicContact CD1-CG1 4.29Å; L770-I774 HydrophobicContact CG-CD1 3.85Å; L770-I774 HydrophobicContact CG-CG1 4.49Å; L770-I774 WeakPolarHBondContact O-CB 3.15Å; L770-I774 VanDerWaalsContact O-CG1 3.23Å; L770-I774 WeakPolarHBondContact O-CG1 3.46Å; L770-I774 PolarHBondContact O-N 3.34Å; L770-M809 HydrophobicContact CD2-CE 4.08Å; L770-M809 HydrophobicContact CD2-CG 4.25Å; L770-M809 HydrophobicContact CD2-SD 3.92Å
771	H	90.7	Very high	92.3	Very high	55 Å²	55	38.5 Å²	38.5	26%	0.255	21%	0.208	S	C	.	.	H	α-helix	trans	-68.8	-34.1	174.1	-75.3	-76.4	0	0	0	113	S769 F775 H800 M809 V820	S769-H771 PolarHBondContact O-N 3.48Å; S769-H771 VanDerWaalsContact O-N 3.17Å; H771-F775 VanDerWaalsContact O-CB 3.25Å; H771-F775 WeakPolarHBondContact O-CB 3.41Å; H771-F775 PolarHBondContact O-N 3.18Å; H771-H800 AromaticContact ND1-NE2 3.62Å; H771-H800 PolarHBondContact O-CE1 2.94Å; H771-M809 VanDerWaalsContact NE2-CE 3.29Å; H771-M809 WeakPolarHBondContact NE2-CE 3.33Å; H771-V820 HydrophobicContact CB-CG2 4.27Å
772	E	93.1	Very high	92.3	Very high	24 Å²	24	34 Å²	34	11%	0.112	19%	0.191	C	C	.	.	H	α-helix	trans	-68.7	-40.9	174	-77.7	151.6	172.8	0	0	111.3	A768 S769 F775 L776 V820 R823 L824	A768-E772 HydrophobicContact CB-CB 3.86Å; S769-E772 VanDerWaalsContact CB-OE2 3.3Å; S769-E772 WeakPolarHBondContact CB-OE2 3.46Å; S769-E772 PolarHBondContact N-OE2 3.44Å; S769-E772 WeakPolarHBondContact O-CA 3.3Å; S769-E772 WeakPolarHBondContact O-CB 3.25Å; S769-E772 PolarHBondContact O-N 3.31Å; S769-E772 WeakPolarHBondContact OG-CG 3.37Å; S769-E772 PolarHBondContact OG-OE2 3.33Å; E772-F775 PolarHBondContact O-N 3.4Å; E772-L776 WeakPolarHBondContact O-CG 3.44Å; E772-L776 PolarHBondContact O-N 2.98Å; E772-V820 HydrophobicContact CB-CG1 4.49Å; E772-V820 HydrophobicContact CG-CB 4.43Å; E772-V820 HydrophobicContact CG-CG1 3.78Å; E772-V820 HydrophobicContact CG-CG2 4.26Å; E772-R823 IonicContact OE1-CZ 2.68Å; E772-R823 IonicContact OE1-NE 3.75Å; E772-R823 PolarHBondContact OE1-NE 3.25Å; E772-R823 IonicContact OE1-NH2 3.71Å; E772-R823 PolarHBondContact OE1-NH2 3.25Å; E772-L824 HydrophobicContact CB-CD1 4.29Å; E772-L824 HydrophobicContact CB-CD2 4.06Å; E772-L824 HydrophobicContact CB-CG 4.38Å; E772-L824 HydrophobicContact CG-CD1 4.23Å; E772-L824 HydrophobicContact CG-CD2 4.12Å; E772-L824 HydrophobicContact CG-CG 4.06Å
773	Q	93.6	Very high	92.5	Very high	41 Å²	41	33.3 Å²	33.3	19%	0.192	19%	0.187	C	C	.	.	H	α-helix	trans	-63.4	-47.1	173.7	-68.3	-177.7	-16.1	0	0	112	I765 A768 S769 L770 F775 L776 K777 L856	I765-Q773 PolarHBondContact O-NE2 2.99Å; I765-Q773 VanDerWaalsContact O-NE2 3.09Å; A768-Q773 HydrophobicContact CB-CG 4.2Å; S769-Q773 PolarHBondContact O-N 3.13Å; L770-Q773 PolarHBondContact O-N 2.97Å; Q773-F775 VanDerWaalsContact C-N 3.27Å; Q773-F775 PolarHBondContact O-N 3.25Å; Q773-L776 PolarHBondContact O-N 2.88Å; Q773-K777 WeakPolarHBondContact O-CG 3.22Å; Q773-K777 PolarHBondContact O-N 3.25Å; Q773-L856 HydrophobicContact CB-CD2 3.71Å; Q773-L856 HydrophobicContact CG-CD2 3.71Å
774	I	93	Very high	92.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65	-30.8	175.4	-64.4	166.8	0	0	0	111.2	L770 K777 A778 L803 E807	L770-I774 HydrophobicContact CD1-CD1 4.03Å; L770-I774 HydrophobicContact CD1-CG1 4.29Å; L770-I774 HydrophobicContact CG-CD1 3.85Å; L770-I774 HydrophobicContact CG-CG1 4.49Å; L770-I774 WeakPolarHBondContact O-CB 3.15Å; L770-I774 VanDerWaalsContact O-CG1 3.23Å; L770-I774 WeakPolarHBondContact O-CG1 3.46Å; L770-I774 PolarHBondContact O-N 3.34Å; I774-K777 PolarHBondContact O-N 3.31Å; I774-A778 VanDerWaalsContact O-CB 3.29Å; I774-A778 WeakPolarHBondContact O-CB 3.37Å; I774-A778 PolarHBondContact O-N 3.34Å; I774-L803 HydrophobicContact CG2-CB 3.65Å; I774-L803 HydrophobicContact CG2-CD1 4.34Å; I774-E807 HydrophobicContact CD1-CB 4.19Å; I774-E807 HydrophobicContact CD1-CG 4.01Å; I774-E807 HydrophobicContact CG1-CG 4.41Å
775	F	93.9	Very high	92.6	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.8	-39	173	-167.3	-101.8	0	0	0	112.2	H771 E772 Q773 A778 I779 V796 H800 I817 V820 C821 L824 L830	H771-F775 VanDerWaalsContact O-CB 3.25Å; H771-F775 WeakPolarHBondContact O-CB 3.41Å; H771-F775 PolarHBondContact O-N 3.18Å; E772-F775 PolarHBondContact O-N 3.4Å; Q773-F775 VanDerWaalsContact C-N 3.27Å; Q773-F775 PolarHBondContact O-N 3.25Å; F775-A778 WeakPolarHBondContact O-CB 3.34Å; F775-A778 PolarHBondContact O-N 2.9Å; F775-I779 HydrophobicContact CD1-CD1 3.84Å; F775-I779 HydrophobicContact CD1-CG1 4.47Å; F775-I779 HydrophobicContact CE1-CD1 3.73Å; F775-I779 HydrophobicContact CE1-CG1 4.38Å; F775-I779 WeakPolarHBondContact O-CG1 3.27Å; F775-I779 PolarHBondContact O-N 3.06Å; F775-V796 HydrophobicContact CD2-CG1 3.82Å; F775-V796 HydrophobicContact CE1-CG1 4.29Å; F775-V796 HydrophobicContact CE2-CB 4.26Å; F775-V796 HydrophobicContact CE2-CG1 3.4Å; F775-V796 HydrophobicContact CG-CG1 4.41Å; F775-V796 HydrophobicContact CZ-CB 4.42Å; F775-V796 HydrophobicContact CZ-CG1 3.68Å; F775-H800 VanDerWaalsContact CA-ND1 3.33Å; F775-H800 WeakPolarHBondContact CA-ND1 3.47Å; F775-H800 HydrophobicContact CD2-CB 4.49Å; F775-H800 AromaticContact CD2-ND1 3.91Å; F775-H800 PolarHBondContact N-ND1 3.41Å; F775-I817 HydrophobicContact CD2-CG2 4.2Å; F775-I817 HydrophobicContact CE2-CG2 3.59Å; F775-I817 HydrophobicContact CZ-CG2 4.4Å; F775-V820 HydrophobicContact CB-CG1 3.71Å; F775-V820 HydrophobicContact CD1-CG1 4.03Å; F775-V820 HydrophobicContact CD2-CG1 4.34Å; F775-V820 HydrophobicContact CG-CG1 3.78Å; F775-C821 HydrophobicContact CE1-CB 3.94Å; F775-C821 HydrophobicContact CZ-CB 3.81Å; F775-L824 HydrophobicContact CB-CD1 4.35Å; F775-L824 HydrophobicContact CD1-CD1 3.57Å; F775-L824 HydrophobicContact CE1-CD1 4.33Å; F775-L824 HydrophobicContact CG-CD1 4.36Å; F775-L830 HydrophobicContact CD1-CD1 4.23Å; F775-L830 HydrophobicContact CE1-CD1 3.8Å
776	L	94.3	Very high	92.5	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-66	-41.8	171.1	-67.5	169.5	0	0	0	112	I765 E772 Q773 A778 I779 L780 L824 L830 L845 V852 L856	I765-L776 HydrophobicContact CG1-CD1 3.96Å; I765-L776 HydrophobicContact CG2-CD1 4Å; E772-L776 WeakPolarHBondContact O-CG 3.44Å; E772-L776 PolarHBondContact O-N 2.98Å; Q773-L776 PolarHBondContact O-N 2.88Å; L776-A778 VanDerWaalsContact C-N 3.28Å; L776-A778 PolarHBondContact O-N 3.12Å; L776-I779 PolarHBondContact O-N 2.91Å; L776-L780 WeakPolarHBondContact O-CG 3.37Å; L776-L780 PolarHBondContact O-N 2.79Å; L776-L780 VanDerWaalsContact O-N 3.07Å; L776-L824 HydrophobicContact CD1-CD2 4.44Å; L776-L824 HydrophobicContact CD2-CD1 4.48Å; L776-L824 HydrophobicContact CG-CD1 4.37Å; L776-L830 HydrophobicContact CD2-CD2 4.05Å; L776-L845 HydrophobicContact CD2-CD2 4.12Å; L776-V852 HydrophobicContact CB-CG1 4.07Å; L776-V852 HydrophobicContact CD1-CG1 4.45Å; L776-V852 HydrophobicContact CD2-CG1 4.48Å; L776-L856 HydrophobicContact CB-CD1 3.78Å
777	K	93.3	Very high	92.5	Very high	69 Å²	69	43.6 Å²	43.6	30%	0.3	24%	0.244	S	C	.	.	H	α-helix	trans	-56.8	-41.4	170.1	-66.5	-177.7	-170.6	-177.9	0	111.3	Q773 I774 L780 A781 L803 E807 L856	Q773-K777 WeakPolarHBondContact O-CG 3.22Å; Q773-K777 PolarHBondContact O-N 3.25Å; I774-K777 PolarHBondContact O-N 3.31Å; K777-L780 PolarHBondContact O-N 3.48Å; K777-A781 WeakPolarHBondContact O-CB 3.42Å; K777-A781 PolarHBondContact O-N 3.24Å; K777-L803 HydrophobicContact CB-CD1 3.78Å; K777-E807 IonicContact NZ-OE1 3.58Å; K777-E807 PolarHBondContact NZ-OE1 3.37Å; K777-L856 HydrophobicContact CG-CD1 4.09Å
778	A	93.9	Very high	92.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.4	-40.9	179.1	0	0	0	0	0	113.1	I774 F775 L776 A781 E782 V796 Q799 H800 L803	I774-A778 VanDerWaalsContact O-CB 3.29Å; I774-A778 WeakPolarHBondContact O-CB 3.37Å; I774-A778 PolarHBondContact O-N 3.34Å; F775-A778 WeakPolarHBondContact O-CB 3.34Å; F775-A778 PolarHBondContact O-N 2.9Å; L776-A778 VanDerWaalsContact C-N 3.28Å; L776-A778 PolarHBondContact O-N 3.12Å; A778-A781 PolarHBondContact O-N 3.48Å; A778-E782 WeakPolarHBondContact O-CB 3.22Å; A778-E782 PolarHBondContact O-N 3.45Å; A778-V796 HydrophobicContact CB-CG1 3.97Å; A778-Q799 HydrophobicContact CB-CB 3.93Å; A778-H800 HydrophobicContact CB-CB 3.88Å; A778-L803 HydrophobicContact CB-CD1 4.04Å
779	I	94.3	Very high	92.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-47.2	173.7	-67.4	168.2	0	0	0	110.3	F775 L776 A781 E782 F783 V796 L830 V843 L845	F775-I779 HydrophobicContact CD1-CD1 3.84Å; F775-I779 HydrophobicContact CD1-CG1 4.47Å; F775-I779 HydrophobicContact CE1-CD1 3.73Å; F775-I779 HydrophobicContact CE1-CG1 4.38Å; F775-I779 WeakPolarHBondContact O-CG1 3.27Å; F775-I779 PolarHBondContact O-N 3.06Å; L776-I779 PolarHBondContact O-N 2.91Å; I779-A781 VanDerWaalsContact C-N 3.33Å; I779-A781 PolarHBondContact O-N 3.35Å; I779-E782 PolarHBondContact O-N 2.93Å; I779-F783 HydrophobicContact CG2-CD1 4.01Å; I779-F783 HydrophobicContact CG2-CD2 4.24Å; I779-F783 HydrophobicContact CG2-CE1 3.58Å; I779-F783 HydrophobicContact CG2-CE2 3.85Å; I779-F783 HydrophobicContact CG2-CG 4.32Å; I779-F783 HydrophobicContact CG2-CZ 3.48Å; I779-F783 VanDerWaalsContact CG2-CZ 3.48Å; I779-F783 WeakPolarHBondContact O-CD1 3.32Å; I779-F783 WeakPolarHBondContact O-CG 3.33Å; I779-F783 PolarHBondContact O-N 2.78Å; I779-V796 HydrophobicContact CG1-CB 4.42Å; I779-V796 HydrophobicContact CG1-CG1 3.57Å; I779-V796 HydrophobicContact CG1-CG2 3.89Å; I779-L830 HydrophobicContact CD1-CD1 3.84Å; I779-L830 HydrophobicContact CD1-CD2 3.54Å; I779-L830 HydrophobicContact CD1-CG 4.35Å; I779-V843 HydrophobicContact CD1-CG1 3.83Å; I779-L845 HydrophobicContact CG2-CD1 4.25Å; I779-L845 HydrophobicContact CG2-CD2 4.03Å; I779-L845 HydrophobicContact CG2-CG 3.92Å
780	L	94.1	Very high	92.4	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	25%	0.25	C	C	.	.	H	α-helix	trans	-64	-37	178.8	-71.4	167	0	0	0	112.6	L776 K777 R784 L845 Q849 V852 M853 L856	L776-L780 WeakPolarHBondContact O-CG 3.37Å; L776-L780 PolarHBondContact O-N 2.79Å; L776-L780 VanDerWaalsContact O-N 3.07Å; K777-L780 PolarHBondContact O-N 3.48Å; L780-R784 WeakPolarHBondContact O-CB 3.29Å; L780-R784 VanDerWaalsContact O-CG 3.26Å; L780-R784 WeakPolarHBondContact O-CG 3.45Å; L780-R784 PolarHBondContact O-N 2.77Å; L780-R784 VanDerWaalsContact O-N 3.16Å; L780-L845 HydrophobicContact CD2-CD1 3.71Å; L780-L845 HydrophobicContact CG-CD1 4.36Å; L780-Q849 HydrophobicContact CD2-CB 3.8Å; L780-Q849 HydrophobicContact CD2-CG 4.02Å; L780-V852 HydrophobicContact CD1-CB 4.07Å; L780-V852 HydrophobicContact CD1-CG1 3.66Å; L780-V852 HydrophobicContact CG-CG1 4.49Å; L780-M853 HydrophobicContact CD1-CG 4Å; L780-M853 HydrophobicContact CD1-SD 3.86Å; L780-L856 HydrophobicContact CD1-CD1 4.43Å
781	A	92.9	Very high	92.5	Very high	39 Å²	39	44.1 Å²	44.1	32%	0.322	23%	0.231	S	C	.	.	H	α-helix	trans	-63.9	-44.6	172.4	0	0	0	0	0	111.6	K777 A778 I779 R784 R785	K777-A781 WeakPolarHBondContact O-CB 3.42Å; K777-A781 PolarHBondContact O-N 3.24Å; A778-A781 PolarHBondContact O-N 3.48Å; I779-A781 VanDerWaalsContact C-N 3.33Å; I779-A781 PolarHBondContact O-N 3.35Å; A781-R784 PolarHBondContact O-N 3.09Å; A781-R785 WeakPolarHBondContact O-CB 3.26Å; A781-R785 PolarHBondContact O-N 3.02Å
782	E	92.7	Very high	92.6	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	23%	0.227	C	C	.	.	H	α-helix	trans	-68.6	-40.3	179.6	-171.4	58.6	-168	0	0	112.5	A778 I779 R784 R785 A786 A791 Q795 Q799	A778-E782 WeakPolarHBondContact O-CB 3.22Å; A778-E782 PolarHBondContact O-N 3.45Å; I779-E782 PolarHBondContact O-N 2.93Å; E782-R784 VanDerWaalsContact C-N 3.32Å; E782-R784 PolarHBondContact O-N 3.48Å; E782-R785 PolarHBondContact O-N 3.35Å; E782-R785 VanDerWaalsContact O-N 3.13Å; E782-R785 IonicContact OE1-CZ 3.69Å; E782-R785 IonicContact OE1-NE 3.12Å; E782-R785 PolarHBondContact OE1-NE 3.15Å; E782-R785 IonicContact OE1-NH2 3.65Å; E782-R785 PolarHBondContact OE1-NH2 2.85Å; E782-R785 IonicContact OE2-CZ 3.66Å; E782-R785 IonicContact OE2-NE 2.77Å; E782-R785 PolarHBondContact OE2-NE 3.34Å; E782-R785 IonicContact OE2-NH2 3.79Å; E782-A786 VanDerWaalsContact O-CB 3.32Å; E782-A786 WeakPolarHBondContact O-CB 3.46Å; E782-A786 PolarHBondContact O-N 2.92Å; E782-A791 HydrophobicContact CB-CB 4.47Å; E782-A791 HydrophobicContact CG-CB 3.81Å; E782-Q795 HydrophobicContact CG-CB 3.96Å; E782-Q795 WeakPolarHBondContact OE1-CB 3.4Å; E782-Q799 HydrophobicContact CB-CG 4.07Å; E782-Q799 WeakPolarHBondContact OE2-CG 3.36Å; E782-Q799 PolarHBondContact OE2-NE2 2.75Å
783	F	93.7	Very high	92.5	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-41.4	174.9	-74.6	9.4	0	0	0	111.4	I779 R785 G787 V788 E789 A791 L845	I779-F783 HydrophobicContact CG2-CD1 4.01Å; I779-F783 HydrophobicContact CG2-CD2 4.24Å; I779-F783 HydrophobicContact CG2-CE1 3.58Å; I779-F783 HydrophobicContact CG2-CE2 3.85Å; I779-F783 HydrophobicContact CG2-CG 4.32Å; I779-F783 HydrophobicContact CG2-CZ 3.48Å; I779-F783 VanDerWaalsContact CG2-CZ 3.48Å; I779-F783 WeakPolarHBondContact O-CD1 3.32Å; I779-F783 WeakPolarHBondContact O-CG 3.33Å; I779-F783 PolarHBondContact O-N 2.78Å; F783-R785 VanDerWaalsContact C-N 3.35Å; F783-G787 WeakPolarHBondContact O-CA 3.24Å; F783-G787 PolarHBondContact O-N 3Å; F783-V788 WeakPolarHBondContact CD1-O 3.22Å; F783-V788 WeakPolarHBondContact CG-O 3.48Å; F783-E789 WeakPolarHBondContact CE2-O 3.27Å; F783-E789 VanDerWaalsContact CZ-C 3.45Å; F783-E789 WeakPolarHBondContact CZ-O 3.3Å; F783-A791 HydrophobicContact CD1-CB 4.16Å; F783-A791 HydrophobicContact CE1-CB 3.83Å; F783-L845 HydrophobicContact CD2-CD1 3.98Å; F783-L845 HydrophobicContact CD2-CG 4.48Å; F783-L845 HydrophobicContact CE2-CB 4.2Å; F783-L845 HydrophobicContact CE2-CD1 3.64Å; F783-L845 HydrophobicContact CE2-CG 3.67Å; F783-L845 HydrophobicContact CZ-CG 4.23Å
784	R	91.7	Very high	92.4	Very high	160 Å²	160	43.4 Å²	43.4	60%	0.604	23%	0.23	S	C	*	.	H	α-helix	trans	-68.1	-31.8	174.4	-72.2	172.9	178.6	-163	-1.3	113.2	L780 A781 E782	L780-R784 WeakPolarHBondContact O-CB 3.29Å; L780-R784 VanDerWaalsContact O-CG 3.26Å; L780-R784 WeakPolarHBondContact O-CG 3.45Å; L780-R784 PolarHBondContact O-N 2.77Å; L780-R784 VanDerWaalsContact O-N 3.16Å; A781-R784 PolarHBondContact O-N 3.09Å; E782-R784 VanDerWaalsContact C-N 3.32Å; E782-R784 PolarHBondContact O-N 3.48Å
785	R	92.3	Very high	92.4	Very high	152 Å²	152	46.9 Å²	46.9	57%	0.574	25%	0.246	S	C	*	.	H	α-helix	trans	-77.4	-37.4	178.4	-166.4	-162.7	70.5	72.9	2.1	112.7	A781 E782 F783	A781-R785 WeakPolarHBondContact O-CB 3.26Å; A781-R785 PolarHBondContact O-N 3.02Å; E782-R785 PolarHBondContact O-N 3.35Å; E782-R785 VanDerWaalsContact O-N 3.13Å; E782-R785 IonicContact OE1-CZ 3.69Å; E782-R785 IonicContact OE1-NE 3.12Å; E782-R785 PolarHBondContact OE1-NE 3.15Å; E782-R785 IonicContact OE1-NH2 3.65Å; E782-R785 PolarHBondContact OE1-NH2 2.85Å; E782-R785 IonicContact OE2-CZ 3.66Å; E782-R785 IonicContact OE2-NE 2.77Å; E782-R785 PolarHBondContact OE2-NE 3.34Å; E782-R785 IonicContact OE2-NH2 3.79Å; F783-R785 VanDerWaalsContact C-N 3.35Å
786	A	90.1	Very high	92.4	Very high	47 Å²	47	46.9 Å²	46.9	39%	0.388	25%	0.246	S	C	.	.	H	α-helix	trans	-90.5	-26.8	-177.5	0	0	0	0	0	113.4	E782 V788	E782-A786 VanDerWaalsContact O-CB 3.32Å; E782-A786 WeakPolarHBondContact O-CB 3.46Å; E782-A786 PolarHBondContact O-N 2.92Å; A786-V788 VanDerWaalsContact C-N 3.33Å
787	G	90.3	Very high	92.3	Very high	69 Å²	69	49.5 Å²	49.5	71%	0.711	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	18	-173.3	0	0	0	0	0	114.2	F783	F783-G787 WeakPolarHBondContact O-CA 3.24Å; F783-G787 PolarHBondContact O-N 3Å
788	V	91.3	Very high	92.2	Very high	82 Å²	82	51.7 Å²	51.7	50%	0.497	27%	0.267	S	S	.	.	S	Bend	trans	-130.9	144.2	-173.3	-170.8	0	0	0	0	110	F783 A786 E790	F783-V788 WeakPolarHBondContact CD1-O 3.22Å; F783-V788 WeakPolarHBondContact CG-O 3.48Å; A786-V788 VanDerWaalsContact C-N 3.33Å; V788-E790 HydrophobicContact CG1-CB 4.39Å; V788-E790 PolarHBondContact O-N 3.12Å
789	E	89.7	Confident	92.2	Very high	99 Å²	99	54 Å²	54	46%	0.463	28%	0.278	S	S	.	.	S	Bend	trans	-79.7	8.9	178.1	-59.2	-172.1	173.1	0	0	114.6	F783 R844	F783-E789 WeakPolarHBondContact CE2-O 3.27Å; F783-E789 VanDerWaalsContact CZ-C 3.45Å; F783-E789 WeakPolarHBondContact CZ-O 3.3Å; E789-R844 VanDerWaalsContact O-CG 3.3Å; E789-R844 WeakPolarHBondContact O-CG 3.36Å; E789-R844 IonicContact OE2-CZ 2.75Å; E789-R844 IonicContact OE2-NE 3.99Å; E789-R844 PolarHBondContact OE2-NE 2.91Å; E789-R844 IonicContact OE2-NH2 3.16Å; E789-R844 PolarHBondContact OE2-NH2 3.08Å
790	E	91.9	Very high	92.1	Very high	73 Å²	73	54 Å²	54	34%	0.341	28%	0.278	S	S	.	.			trans	-130.3	134.2	178.3	-69.1	-176.8	-171.2	0	0	109.2	V788 R842 R844	V788-E790 HydrophobicContact CG1-CB 4.39Å; V788-E790 PolarHBondContact O-N 3.12Å; E790-R842 WeakPolarHBondContact OE2-CD 3.14Å; E790-R842 IonicContact OE2-CZ 3.53Å; E790-R842 IonicContact OE2-NE 3.28Å; E790-R842 IonicContact OE2-NH1 2.58Å; E790-R842 PolarHBondContact OE2-NH1 2.97Å; E790-R844 HydrophobicContact CG-CB 4.4Å
791	A	92.4	Very high	92.1	Very high	3 Å²	3	54.7 Å²	54.7	3%	0.025	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.9	173.2	0	0	0	0	0	110.3	E782 F783 V796 R842 V843	E782-A791 HydrophobicContact CB-CB 4.47Å; E782-A791 HydrophobicContact CG-CB 3.81Å; F783-A791 HydrophobicContact CD1-CB 4.16Å; F783-A791 HydrophobicContact CE1-CB 3.83Å; A791-V796 HydrophobicContact CB-CG2 3.81Å; A791-R842 WeakPolarHBondContact O-CA 3.2Å; A791-V843 PolarHBondContact N-O 3.38Å; A791-V843 VanDerWaalsContact N-O 3.1Å; A791-V843 PolarHBondContact O-N 3.33Å
792	T	92.1	Very high	92.1	Very high	30 Å²	30	54.8 Å²	54.8	18%	0.184	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	149.8	170.5	61.7	0	0	0	0	110.7	Q794 Q795 V796 M841	T792-Q794 PolarHBondContact O-N 3.29Å; T792-Q795 PolarHBondContact O-N 2.82Å; T792-Q795 VanDerWaalsContact OG1-CD 3.24Å; T792-Q795 WeakPolarHBondContact OG1-CG 3.3Å; T792-Q795 PolarHBondContact OG1-N 2.87Å; T792-Q795 PolarHBondContact OG1-OE1 2.99Å; T792-V796 PolarHBondContact O-N 2.98Å; T792-V796 VanDerWaalsContact O-N 3.11Å; T792-M841 WeakPolarHBondContact CA-O 3.43Å
793	V	91.6	Very high	92.1	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-55.7	-35.5	173.9	174.9	0	0	0	0	111.7	Q795 V796 Y797 I817 M818 M841 V843	V793-Q795 PolarHBondContact O-N 3.03Å; V793-V796 PolarHBondContact O-N 2.87Å; V793-Y797 WeakPolarHBondContact O-CB 3.48Å; V793-Y797 PolarHBondContact O-N 2.8Å; V793-I817 HydrophobicContact CG1-CG2 4.26Å; V793-M818 HydrophobicContact CG1-SD 3.9Å; V793-M841 HydrophobicContact CG2-CB 4.35Å; V793-M841 HydrophobicContact CG2-CE 3.58Å; V793-M841 PolarHBondContact N-O 2.93Å; V793-V843 HydrophobicContact CG2-CG2 3.57Å
794	Q	91.5	Very high	92	Very high	75 Å²	75	56.3 Å²	56.3	35%	0.35	29%	0.291	S	S	.	.	H	α-helix	trans	-58.1	-43.3	174.3	-173	179.2	10.3	0	0	112.8	T792 H798 L839 H840	T792-Q794 PolarHBondContact O-N 3.29Å; Q794-H798 PolarHBondContact O-N 3.25Å; Q794-H798 PolarHBondContact O-ND1 2.92Å; Q794-L839 HydrophobicContact CB-CB 4.34Å; Q794-L839 WeakPolarHBondContact CB-O 3.36Å; Q794-L839 PolarHBondContact N-O 2.85Å; Q794-H840 PolarHBondContact OE1-CE1 2.7Å; Q794-H840 PolarHBondContact OE1-ND1 2.86Å
795	Q	91.9	Very high	92	Very high	73 Å²	73	57.3 Å²	57.3	34%	0.341	30%	0.295	S	S	.	.	H	α-helix	trans	-67	-47.7	177.3	-74.8	157.8	-42.7	0	0	111.3	E782 T792 V793 Y797 H798 Q799	E782-Q795 HydrophobicContact CG-CB 3.96Å; E782-Q795 WeakPolarHBondContact OE1-CB 3.4Å; T792-Q795 PolarHBondContact O-N 2.82Å; T792-Q795 VanDerWaalsContact OG1-CD 3.24Å; T792-Q795 WeakPolarHBondContact OG1-CG 3.3Å; T792-Q795 PolarHBondContact OG1-N 2.87Å; T792-Q795 PolarHBondContact OG1-OE1 2.99Å; V793-Q795 PolarHBondContact O-N 3.03Å; Q795-Y797 VanDerWaalsContact C-N 3.29Å; Q795-Y797 PolarHBondContact O-N 2.85Å; Q795-H798 PolarHBondContact O-N 2.82Å; Q795-Q799 PolarHBondContact O-N 2.88Å
796	V	93.5	Very high	91.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.6	-37.4	178.2	-178.7	0	0	0	0	111.5	F775 A778 I779 A791 T792 V793 H798 Q799 H800	F775-V796 HydrophobicContact CD2-CG1 3.82Å; F775-V796 HydrophobicContact CE1-CG1 4.29Å; F775-V796 HydrophobicContact CE2-CB 4.26Å; F775-V796 HydrophobicContact CE2-CG1 3.4Å; F775-V796 HydrophobicContact CG-CG1 4.41Å; F775-V796 HydrophobicContact CZ-CB 4.42Å; F775-V796 HydrophobicContact CZ-CG1 3.68Å; A778-V796 HydrophobicContact CB-CG1 3.97Å; I779-V796 HydrophobicContact CG1-CB 4.42Å; I779-V796 HydrophobicContact CG1-CG1 3.57Å; I779-V796 HydrophobicContact CG1-CG2 3.89Å; A791-V796 HydrophobicContact CB-CG2 3.81Å; T792-V796 PolarHBondContact O-N 2.98Å; T792-V796 VanDerWaalsContact O-N 3.11Å; V793-V796 PolarHBondContact O-N 2.87Å; V796-H798 PolarHBondContact O-N 2.8Å; V796-Q799 PolarHBondContact O-N 2.86Å; V796-H800 WeakPolarHBondContact O-CB 3.4Å; V796-H800 PolarHBondContact O-N 2.81Å
797	Y	92.9	Very high	91.8	Very high	55 Å²	55	58.4 Å²	58.4	22%	0.216	30%	0.302	C	S	.	.	H	α-helix	trans	-58	-45.4	175.6	177.7	-84.1	0	0	0	111.8	V793 Q795 H800 V801 V814 I817	V793-Y797 WeakPolarHBondContact O-CB 3.48Å; V793-Y797 PolarHBondContact O-N 2.8Å; Q795-Y797 VanDerWaalsContact C-N 3.29Å; Q795-Y797 PolarHBondContact O-N 2.85Å; Y797-H800 PolarHBondContact O-N 2.92Å; Y797-V801 HydrophobicContact CD1-CG2 4.23Å; Y797-V801 HydrophobicContact CE1-CG2 3.84Å; Y797-V801 HydrophobicContact CE2-CG2 4.46Å; Y797-V801 WeakPolarHBondContact O-CG2 3.45Å; Y797-V801 PolarHBondContact O-N 2.65Å; Y797-V814 HydrophobicContact CD2-CG2 4.29Å; Y797-V814 HydrophobicContact CE2-CB 4.24Å; Y797-V814 HydrophobicContact CE2-CG2 3.59Å; Y797-I817 HydrophobicContact CD2-CB 4.13Å; Y797-I817 HydrophobicContact CD2-CD1 3.26Å; Y797-I817 HydrophobicContact CD2-CG1 4.28Å; Y797-I817 HydrophobicContact CD2-CG2 4.06Å; Y797-I817 HydrophobicContact CE2-CD1 3.55Å; Y797-I817 HydrophobicContact CG-CD1 4.13Å
798	H	92.1	Very high	91.8	Very high	115 Å²	115	58.5 Å²	58.5	53%	0.532	30%	0.303	S	S	.	.	H	α-helix	trans	-63.2	-43.5	177.6	-70.6	96.1	0	0	0	111.9	Q794 Q795 V796 V801 A802	Q794-H798 PolarHBondContact O-N 3.25Å; Q794-H798 PolarHBondContact O-ND1 2.92Å; Q795-H798 PolarHBondContact O-N 2.82Å; V796-H798 PolarHBondContact O-N 2.8Å; H798-V801 PolarHBondContact O-N 3.02Å; H798-A802 PolarHBondContact O-N 2.9Å
799	Q	92.6	Very high	91.6	Very high	48 Å²	48	57.6 Å²	57.6	22%	0.224	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-38.9	175	-56.9	-55.7	-8.9	0	0	112	A778 E782 Q795 V796 A802 L803	A778-Q799 HydrophobicContact CB-CB 3.93Å; E782-Q799 HydrophobicContact CB-CG 4.07Å; E782-Q799 WeakPolarHBondContact OE2-CG 3.36Å; E782-Q799 PolarHBondContact OE2-NE2 2.75Å; Q795-Q799 PolarHBondContact O-N 2.88Å; V796-Q799 PolarHBondContact O-N 2.86Å; Q799-A802 PolarHBondContact O-N 3.25Å; Q799-L803 WeakPolarHBondContact O-CG 3.31Å; Q799-L803 PolarHBondContact O-N 3.49Å
800	H	93.3	Very high	91.4	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-65.2	-42.1	178.5	-173.5	92.9	0	0	0	112.1	H771 F775 A778 V796 Y797 A802 L803 C804 I817	H771-H800 AromaticContact ND1-NE2 3.62Å; H771-H800 PolarHBondContact O-CE1 2.94Å; F775-H800 VanDerWaalsContact CA-ND1 3.33Å; F775-H800 WeakPolarHBondContact CA-ND1 3.47Å; F775-H800 HydrophobicContact CD2-CB 4.49Å; F775-H800 AromaticContact CD2-ND1 3.91Å; F775-H800 PolarHBondContact N-ND1 3.41Å; A778-H800 HydrophobicContact CB-CB 3.88Å; V796-H800 WeakPolarHBondContact O-CB 3.4Å; V796-H800 PolarHBondContact O-N 2.81Å; Y797-H800 PolarHBondContact O-N 2.92Å; H800-A802 VanDerWaalsContact C-N 3.33Å; H800-L803 PolarHBondContact O-N 3.17Å; H800-C804 VanDerWaalsContact CD2-SG 3.5Å; H800-C804 PolarHBondContact NE2-SG 3.42Å; H800-C804 WeakPolarHBondContact O-CB 3.5Å; H800-C804 PolarHBondContact O-N 3.4Å; H800-C804 PolarHBondContact O-SG 3.3Å; H800-I817 HydrophobicContact CB-CD1 4.24Å
801	V	93.3	Very high	91	Very high	17 Å²	17	61.4 Å²	61.4	10%	0.103	32%	0.32	C	S	.	.	H	α-helix	trans	-65.8	-36.3	174.7	172.4	0	0	0	0	111.2	Y797 H798 R805	Y797-V801 HydrophobicContact CD1-CG2 4.23Å; Y797-V801 HydrophobicContact CE1-CG2 3.84Å; Y797-V801 HydrophobicContact CE2-CG2 4.46Å; Y797-V801 WeakPolarHBondContact O-CG2 3.45Å; Y797-V801 PolarHBondContact O-N 2.65Å; H798-V801 PolarHBondContact O-N 3.02Å; V801-R805 VanDerWaalsContact O-CG 3.3Å; V801-R805 WeakPolarHBondContact O-CG 3.39Å; V801-R805 PolarHBondContact O-N 3.23Å
802	A	92.8	Very high	90.7	Very high	42 Å²	42	61.9 Å²	61.9	35%	0.347	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-46.9	173.3	0	0	0	0	0	112	H798 Q799 H800 R805 I806	H798-A802 PolarHBondContact O-N 2.9Å; Q799-A802 PolarHBondContact O-N 3.25Å; H800-A802 VanDerWaalsContact C-N 3.33Å; A802-R805 PolarHBondContact O-N 3.14Å; A802-I806 WeakPolarHBondContact O-CG1 3.34Å; A802-I806 PolarHBondContact O-N 2.72Å
803	L	92.8	Very high	90.6	Very high	40 Å²	40	63.8 Å²	63.8	21%	0.209	33%	0.334	C	S	.	.	H	α-helix	trans	-65.8	-41.8	177.8	-69.7	175.3	0	0	0	112.5	I774 K777 A778 Q799 H800 R805 I806 E807	I774-L803 HydrophobicContact CG2-CB 3.65Å; I774-L803 HydrophobicContact CG2-CD1 4.34Å; K777-L803 HydrophobicContact CB-CD1 3.78Å; A778-L803 HydrophobicContact CB-CD1 4.04Å; Q799-L803 WeakPolarHBondContact O-CG 3.31Å; Q799-L803 PolarHBondContact O-N 3.49Å; H800-L803 PolarHBondContact O-N 3.17Å; L803-R805 VanDerWaalsContact C-N 3.27Å; L803-R805 PolarHBondContact O-N 2.95Å; L803-I806 PolarHBondContact O-N 2.95Å; L803-E807 VanDerWaalsContact O-CG 3.25Å; L803-E807 WeakPolarHBondContact O-CG 3.44Å; L803-E807 PolarHBondContact O-N 3.15Å
804	C	92.8	Very high	90.4	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-57.5	-40.4	175.1	-74.9	0	0	0	0	112.1	H800 I806 E807 G808 M809	H800-C804 VanDerWaalsContact CD2-SG 3.5Å; H800-C804 PolarHBondContact NE2-SG 3.42Å; H800-C804 WeakPolarHBondContact O-CB 3.5Å; H800-C804 PolarHBondContact O-N 3.4Å; H800-C804 PolarHBondContact O-SG 3.3Å; C804-I806 VanDerWaalsContact C-N 3.31Å; C804-I806 PolarHBondContact O-N 3.04Å; C804-E807 CarbonylContact O-C 3.58Å; C804-E807 PolarHBondContact O-N 3Å; C804-G808 PolarHBondContact O-N 2.83Å; C804-G808 VanDerWaalsContact O-N 3.14Å; C804-M809 HydrophobicContact CB-CB 4.06Å; C804-M809 PolarHBondContact O-N 3.14Å
805	R	91.4	Very high	90.3	Very high	182 Å²	182	67.5 Å²	67.5	69%	0.687	37%	0.366	S	S	*	.	H	α-helix	trans	-64.6	-33.9	176.1	-71.4	169.3	-179.7	-177.1	0.8	112.9	V801 A802 L803	V801-R805 VanDerWaalsContact O-CG 3.3Å; V801-R805 WeakPolarHBondContact O-CG 3.39Å; V801-R805 PolarHBondContact O-N 3.23Å; A802-R805 PolarHBondContact O-N 3.14Å; L803-R805 VanDerWaalsContact C-N 3.27Å; L803-R805 PolarHBondContact O-N 2.95Å
806	I	90.5	Very high	90.2	Very high	136 Å²	136	69.1 Å²	69.1	70%	0.697	37%	0.373	S	S	*	.	H	α-helix	trans	-72.9	-41.9	176.5	-65.6	164.3	0	0	0	110.5	A802 L803 C804 G808	A802-I806 WeakPolarHBondContact O-CG1 3.34Å; A802-I806 PolarHBondContact O-N 2.72Å; L803-I806 PolarHBondContact O-N 2.95Å; C804-I806 VanDerWaalsContact C-N 3.31Å; C804-I806 PolarHBondContact O-N 3.04Å; I806-G808 PolarHBondContact O-N 2.91Å
807	E	87.9	Confident	90.1	Very high	86 Å²	86	69.2 Å²	69.2	40%	0.402	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	7.9	177.5	-55.4	-90.5	-147.3	0	0	112.6	I774 K777 L803 C804 M809	I774-E807 HydrophobicContact CD1-CB 4.19Å; I774-E807 HydrophobicContact CD1-CG 4.01Å; I774-E807 HydrophobicContact CG1-CG 4.41Å; K777-E807 IonicContact NZ-OE1 3.58Å; K777-E807 PolarHBondContact NZ-OE1 3.37Å; L803-E807 VanDerWaalsContact O-CG 3.25Å; L803-E807 WeakPolarHBondContact O-CG 3.44Å; L803-E807 PolarHBondContact O-N 3.15Å; C804-E807 CarbonylContact O-C 3.58Å; C804-E807 PolarHBondContact O-N 3Å; E807-M809 HydrophobicContact CB-CG 4.43Å; E807-M809 PolarHBondContact O-N 3.44Å
808	G	88.4	Confident	89.9	Confident	71 Å²	71	68.3 Å²	68.3	73%	0.732	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	7.9	178.8	0	0	0	0	0	116	C804 I806	C804-G808 PolarHBondContact O-N 2.83Å; C804-G808 VanDerWaalsContact O-N 3.14Å; I806-G808 PolarHBondContact O-N 2.91Å
809	M	87.2	Confident	89.9	Confident	63 Å²	63	64.7 Å²	64.7	31%	0.31	36%	0.362	S	S	.	.			trans	-83.4	150.6	-175.9	-70.6	-69.6	-71.9	0	0	112.5	L770 H771 C804 E807	L770-M809 HydrophobicContact CD2-CE 4.08Å; L770-M809 HydrophobicContact CD2-CG 4.25Å; L770-M809 HydrophobicContact CD2-SD 3.92Å; H771-M809 VanDerWaalsContact NE2-CE 3.29Å; H771-M809 WeakPolarHBondContact NE2-CE 3.33Å; C804-M809 HydrophobicContact CB-CB 4.06Å; C804-M809 PolarHBondContact O-N 3.14Å; E807-M809 HydrophobicContact CB-CG 4.43Å; E807-M809 PolarHBondContact O-N 3.44Å
810	Q	85.7	Confident	89.9	Confident	181 Å²	181	62.8 Å²	62.8	85%	0.846	35%	0.354	S	S	*	.			trans	-61.3	140	168.8	-64.9	-174.3	1.6	0	0	110.2	P812	Q810-P812 VanDerWaalsContact O-CD 3.27Å; Q810-P812 WeakPolarHBondContact O-CD 3.31Å
811	S	83.6	Confident	89.8	Confident	71 Å²	71	62.8 Å²	62.8	50%	0.497	35%	0.354	S	S	.	.			trans	-70.5	114	177.2	53.9	0	0	0	0	110.2
812	P	86.7	Confident	89.7	Confident	12 Å²	12	65.8 Å²	65.8	8%	0.078	38%	0.375	C	S	.	.			trans	-70.6	155.8	-177.5	30.4	-35.9	0	0	0	111.6	Q810 E816 I817	Q810-P812 VanDerWaalsContact O-CD 3.27Å; Q810-P812 WeakPolarHBondContact O-CD 3.31Å; P812-E816 HydrophobicContact CB-CB 4.16Å; P812-I817 HydrophobicContact CB-CG1 4.5Å; P812-I817 HydrophobicContact CG-CD1 3.79Å; P812-I817 HydrophobicContact CG-CG1 3.95Å
813	T	89.9	Confident	89.7	Confident	71 Å²	71	69.2 Å²	69.2	44%	0.436	38%	0.379	S	S	.	.			trans	-70.5	160.8	176.1	64.2	0	0	0	0	112.1	S815 E816 I817	T813-S815 PolarHBondContact O-N 3.3Å; T813-E816 VanDerWaalsContact CB-OE2 3.3Å; T813-E816 WeakPolarHBondContact CB-OE2 3.46Å; T813-E816 WeakPolarHBondContact CG2-OE2 3.33Å; T813-E816 PolarHBondContact N-OE2 3.31Å; T813-E816 PolarHBondContact O-N 3.39Å; T813-E816 VanDerWaalsContact O-N 3.15Å; T813-E816 VanDerWaalsContact OG1-CD 3.31Å; T813-E816 WeakPolarHBondContact OG1-CG 3.15Å; T813-E816 PolarHBondContact OG1-N 3.21Å; T813-E816 PolarHBondContact OG1-OE2 3.09Å; T813-I817 PolarHBondContact O-N 3.23Å
814	V	88.2	Confident	89.7	Confident	61 Å²	61	67.5 Å²	67.5	37%	0.37	37%	0.371	S	S	.	.	H	α-helix	trans	-54.5	-40.2	171.4	179.4	0	0	0	0	110.9	Y797 E816 I817 M818 L839	Y797-V814 HydrophobicContact CD2-CG2 4.29Å; Y797-V814 HydrophobicContact CE2-CB 4.24Å; Y797-V814 HydrophobicContact CE2-CG2 3.59Å; V814-E816 PolarHBondContact O-N 2.95Å; V814-I817 PolarHBondContact O-N 2.66Å; V814-M818 HydrophobicContact CG1-CG 4.27Å; V814-M818 WeakPolarHBondContact O-CB 3.38Å; V814-M818 VanDerWaalsContact O-CG 3.24Å; V814-M818 WeakPolarHBondContact O-CG 3.46Å; V814-M818 PolarHBondContact O-N 3.14Å; V814-L839 HydrophobicContact CG1-CD2 3.85Å
815	S	88.9	Confident	89.7	Confident	93 Å²	93	68.2 Å²	68.2	65%	0.65	38%	0.378	S	S	*	.	H	α-helix	trans	-62.1	-40.8	178.1	-55.9	0	0	0	0	112.9	T813 M818 A819	T813-S815 PolarHBondContact O-N 3.3Å; S815-M818 PolarHBondContact O-N 2.88Å; S815-A819 WeakPolarHBondContact O-CB 3.43Å; S815-A819 PolarHBondContact O-N 3.43Å
816	E	90.3	Very high	89.7	Confident	106 Å²	106	63.5 Å²	63.5	50%	0.495	38%	0.378	S	S	.	.	H	α-helix	trans	-71	-40.3	177.8	-71.5	159.4	132.4	0	0	111.9	P812 T813 V814 A819 V820	P812-E816 HydrophobicContact CB-CB 4.16Å; T813-E816 VanDerWaalsContact CB-OE2 3.3Å; T813-E816 WeakPolarHBondContact CB-OE2 3.46Å; T813-E816 WeakPolarHBondContact CG2-OE2 3.33Å; T813-E816 PolarHBondContact N-OE2 3.31Å; T813-E816 PolarHBondContact O-N 3.39Å; T813-E816 VanDerWaalsContact O-N 3.15Å; T813-E816 VanDerWaalsContact OG1-CD 3.31Å; T813-E816 WeakPolarHBondContact OG1-CG 3.15Å; T813-E816 PolarHBondContact OG1-N 3.21Å; T813-E816 PolarHBondContact OG1-OE2 3.09Å; V814-E816 PolarHBondContact O-N 2.95Å; E816-A819 WeakPolarHBondContact O-CB 3.31Å; E816-A819 PolarHBondContact O-N 3.27Å; E816-V820 WeakPolarHBondContact O-CG2 3.33Å; E816-V820 PolarHBondContact O-N 2.77Å
817	I	90.5	Very high	89.7	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	37%	0.371	C	S	.	.	H	α-helix	trans	-65.7	-38.9	173.5	-82	167.6	0	0	0	111.7	F775 V793 Y797 H800 P812 T813 V814 A819 V820 C821	F775-I817 HydrophobicContact CD2-CG2 4.2Å; F775-I817 HydrophobicContact CE2-CG2 3.59Å; F775-I817 HydrophobicContact CZ-CG2 4.4Å; V793-I817 HydrophobicContact CG1-CG2 4.26Å; Y797-I817 HydrophobicContact CD2-CB 4.13Å; Y797-I817 HydrophobicContact CD2-CD1 3.26Å; Y797-I817 HydrophobicContact CD2-CG1 4.28Å; Y797-I817 HydrophobicContact CD2-CG2 4.06Å; Y797-I817 HydrophobicContact CE2-CD1 3.55Å; Y797-I817 HydrophobicContact CG-CD1 4.13Å; H800-I817 HydrophobicContact CB-CD1 4.24Å; P812-I817 HydrophobicContact CB-CG1 4.5Å; P812-I817 HydrophobicContact CG-CD1 3.79Å; P812-I817 HydrophobicContact CG-CG1 3.95Å; T813-I817 PolarHBondContact O-N 3.23Å; V814-I817 PolarHBondContact O-N 2.66Å; I817-A819 VanDerWaalsContact C-N 3.31Å; I817-A819 PolarHBondContact O-N 3.13Å; I817-V820 PolarHBondContact O-N 2.88Å; I817-C821 VanDerWaalsContact O-CB 3.31Å; I817-C821 WeakPolarHBondContact O-CB 3.41Å; I817-C821 PolarHBondContact O-N 3.25Å
818	M	89.6	Confident	89.9	Confident	36 Å²	36	64.2 Å²	64.2	18%	0.177	38%	0.379	C	S	.	.	H	α-helix	trans	-63.6	-37.6	172.8	-72.6	-61.9	-58.8	0	0	111.6	V793 V814 S815 S822 Y838 M841	V793-M818 HydrophobicContact CG1-SD 3.9Å; V814-M818 HydrophobicContact CG1-CG 4.27Å; V814-M818 WeakPolarHBondContact O-CB 3.38Å; V814-M818 VanDerWaalsContact O-CG 3.24Å; V814-M818 WeakPolarHBondContact O-CG 3.46Å; V814-M818 PolarHBondContact O-N 3.14Å; S815-M818 PolarHBondContact O-N 2.88Å; M818-S822 WeakPolarHBondContact O-CB 3.31Å; M818-S822 PolarHBondContact O-N 2.7Å; M818-Y838 HydrophobicContact CE-CD1 3.85Å; M818-Y838 HydrophobicContact CE-CG 4.47Å; M818-M841 HydrophobicContact CE-CE 3.49Å; M818-M841 VanDerWaalsContact CE-CE 3.49Å; M818-M841 HydrophobicContact CE-SD 4.37Å; M818-M841 HydrophobicContact SD-CE 4.08Å
819	A	90.8	Very high	90.1	Very high	40 Å²	40	61.1 Å²	61.1	33%	0.331	35%	0.346	S	S	.	.	H	α-helix	trans	-67	-41.6	173.5	0	0	0	0	0	112.4	S815 E816 I817 S822 R823	S815-A819 WeakPolarHBondContact O-CB 3.43Å; S815-A819 PolarHBondContact O-N 3.43Å; E816-A819 WeakPolarHBondContact O-CB 3.31Å; E816-A819 PolarHBondContact O-N 3.27Å; I817-A819 VanDerWaalsContact C-N 3.31Å; I817-A819 PolarHBondContact O-N 3.13Å; A819-S822 PolarHBondContact O-N 2.95Å; A819-R823 WeakPolarHBondContact O-CG 3.42Å; A819-R823 PolarHBondContact O-N 2.89Å
820	V	92.6	Very high	90.4	Very high	8 Å²	8	58.1 Å²	58.1	5%	0.048	33%	0.332	C	S	.	.	H	α-helix	trans	-59.5	-51.3	172.5	162.5	0	0	0	0	110.9	H771 E772 F775 E816 I817 S822 R823 L824	H771-V820 HydrophobicContact CB-CG2 4.27Å; E772-V820 HydrophobicContact CB-CG1 4.49Å; E772-V820 HydrophobicContact CG-CB 4.43Å; E772-V820 HydrophobicContact CG-CG1 3.78Å; E772-V820 HydrophobicContact CG-CG2 4.26Å; F775-V820 HydrophobicContact CB-CG1 3.71Å; F775-V820 HydrophobicContact CD1-CG1 4.03Å; F775-V820 HydrophobicContact CD2-CG1 4.34Å; F775-V820 HydrophobicContact CG-CG1 3.78Å; E816-V820 WeakPolarHBondContact O-CG2 3.33Å; E816-V820 PolarHBondContact O-N 2.77Å; I817-V820 PolarHBondContact O-N 2.88Å; V820-S822 VanDerWaalsContact C-N 3.31Å; V820-S822 PolarHBondContact O-N 3.04Å; V820-R823 PolarHBondContact O-N 3.13Å; V820-L824 HydrophobicContact CG1-CD1 3.81Å; V820-L824 WeakPolarHBondContact O-CB 3.42Å; V820-L824 WeakPolarHBondContact O-CG 3.42Å; V820-L824 PolarHBondContact O-N 3.23Å
821	C	92.1	Very high	90.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-42	178.2	-172	0	0	0	0	111.7	F775 I817 G825	F775-C821 HydrophobicContact CE1-CB 3.94Å; F775-C821 HydrophobicContact CZ-CB 3.81Å; I817-C821 VanDerWaalsContact O-CB 3.31Å; I817-C821 WeakPolarHBondContact O-CB 3.41Å; I817-C821 PolarHBondContact O-N 3.25Å; C821-G825 PolarHBondContact O-N 3.27Å
822	S	90.8	Very high	91.1	Very high	80 Å²	80	51.6 Å²	51.6	56%	0.559	30%	0.298	S	S	*	.	H	α-helix	trans	-64	-43.8	176.4	-177.1	0	0	0	0	112.4	M818 A819 V820 G825 A826	M818-S822 WeakPolarHBondContact O-CB 3.31Å; M818-S822 PolarHBondContact O-N 2.7Å; A819-S822 PolarHBondContact O-N 2.95Å; V820-S822 VanDerWaalsContact C-N 3.31Å; V820-S822 PolarHBondContact O-N 3.04Å; S822-G825 PolarHBondContact O-N 3.12Å; S822-A826 WeakPolarHBondContact O-CB 3.22Å; S822-A826 PolarHBondContact O-N 3.06Å
823	R	92.6	Very high	91.2	Very high	114 Å²	114	55.1 Å²	55.1	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-65	-44.8	176	-70.4	-170.6	-49.9	-100.1	4.7	112.1	E772 A819 V820 G825 A826 C827	E772-R823 IonicContact OE1-CZ 2.68Å; E772-R823 IonicContact OE1-NE 3.75Å; E772-R823 PolarHBondContact OE1-NE 3.25Å; E772-R823 IonicContact OE1-NH2 3.71Å; E772-R823 PolarHBondContact OE1-NH2 3.25Å; A819-R823 WeakPolarHBondContact O-CG 3.42Å; A819-R823 PolarHBondContact O-N 2.89Å; V820-R823 PolarHBondContact O-N 3.13Å; R823-G825 VanDerWaalsContact C-N 3.31Å; R823-G825 PolarHBondContact O-N 2.9Å; R823-A826 PolarHBondContact O-N 2.94Å; R823-C827 PolarHBondContact O-N 2.87Å; R823-C827 PolarHBondContact O-SG 3.14Å; R823-C827 VanDerWaalsContact O-SG 3.39Å
824	L	93.1	Very high	90.7	Very high	5 Å²	5	58 Å²	58	3%	0.026	34%	0.337	C	S	.	.	H	α-helix	trans	-64.2	-34.6	176.9	-70	172.8	0	0	0	112.8	E772 F775 L776 V820 R828 L829 L830	E772-L824 HydrophobicContact CB-CD1 4.29Å; E772-L824 HydrophobicContact CB-CD2 4.06Å; E772-L824 HydrophobicContact CB-CG 4.38Å; E772-L824 HydrophobicContact CG-CD1 4.23Å; E772-L824 HydrophobicContact CG-CD2 4.12Å; E772-L824 HydrophobicContact CG-CG 4.06Å; F775-L824 HydrophobicContact CB-CD1 4.35Å; F775-L824 HydrophobicContact CD1-CD1 3.57Å; F775-L824 HydrophobicContact CE1-CD1 4.33Å; F775-L824 HydrophobicContact CG-CD1 4.36Å; L776-L824 HydrophobicContact CD1-CD2 4.44Å; L776-L824 HydrophobicContact CD2-CD1 4.48Å; L776-L824 HydrophobicContact CG-CD1 4.37Å; V820-L824 HydrophobicContact CG1-CD1 3.81Å; V820-L824 WeakPolarHBondContact O-CB 3.42Å; V820-L824 WeakPolarHBondContact O-CG 3.42Å; V820-L824 PolarHBondContact O-N 3.23Å; L824-R828 PolarHBondContact O-N 2.87Å; L824-L829 HydrophobicContact CD2-CB 4.47Å; L824-L829 HydrophobicContact CD2-CD1 3.64Å; L824-L829 PolarHBondContact O-N 3.13Å; L824-L830 HydrophobicContact CB-CD1 3.56Å; L824-L830 HydrophobicContact CB-CG 3.85Å; L824-L830 HydrophobicContact CD1-CD1 4.01Å; L824-L830 HydrophobicContact CG-CD1 4.44Å; L824-L830 PolarHBondContact O-N 3.12Å
825	G	92.2	Very high	89.8	Confident	15 Å²	15	57.1 Å²	57.1	16%	0.155	33%	0.333	C	S	.	.	H	α-helix	trans	-69.3	-41.3	170.9	0	0	0	0	0	113.2	C821 S822 R823 C827 R828	C821-G825 PolarHBondContact O-N 3.27Å; S822-G825 PolarHBondContact O-N 3.12Å; R823-G825 VanDerWaalsContact C-N 3.31Å; R823-G825 PolarHBondContact O-N 2.9Å; G825-C827 VanDerWaalsContact C-N 3.34Å; G825-C827 PolarHBondContact O-N 2.85Å; G825-R828 WeakPolarHBondContact O-CA 3.37Å; G825-R828 PolarHBondContact O-N 3.47Å
826	A	91.6	Very high	88.6	Confident	82 Å²	82	59.9 Å²	59.9	68%	0.678	34%	0.34	S	S	*	.	H	α-helix	trans	-63.3	-39.5	175.6	0	0	0	0	0	112.1	S822 R823 R828	S822-A826 WeakPolarHBondContact O-CB 3.22Å; S822-A826 PolarHBondContact O-N 3.06Å; R823-A826 PolarHBondContact O-N 2.94Å; A826-R828 PolarHBondContact O-N 3.34Å
827	C	90.8	Very high	87.6	Confident	82 Å²	82	61.9 Å²	61.9	55%	0.554	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	0.2	171.6	-66.4	0	0	0	0	114	R823 G825 L829	R823-C827 PolarHBondContact O-N 2.87Å; R823-C827 PolarHBondContact O-SG 3.14Å; R823-C827 VanDerWaalsContact O-SG 3.39Å; G825-C827 VanDerWaalsContact C-N 3.34Å; G825-C827 PolarHBondContact O-N 2.85Å; C827-L829 HydrophobicContact CB-CD1 4.34Å; C827-L829 HydrophobicContact CB-CG 4.03Å; C827-L829 PolarHBondContact O-N 2.82Å; C827-L829 VanDerWaalsContact O-N 3.13Å
828	R	92.2	Very high	86.9	Confident	155 Å²	155	69.6 Å²	69.6	59%	0.585	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	28.3	-176.3	-60.8	-65.6	-169.6	162.6	1	114	L824 G825 A826 N846	L824-R828 PolarHBondContact O-N 2.87Å; G825-R828 WeakPolarHBondContact O-CA 3.37Å; G825-R828 PolarHBondContact O-N 3.47Å; A826-R828 PolarHBondContact O-N 3.34Å; R828-N846 VanDerWaalsContact O-CB 3.28Å; R828-N846 WeakPolarHBondContact O-CB 3.41Å; R828-N846 PolarHBondContact O-ND2 3.02Å
829	L	93.1	Very high	86.4	Confident	6 Å²	6	71 Å²	71	3%	0.031	39%	0.386	C	S	.	.	S	Bend	trans	-76.1	-34.2	165.6	-55.5	-179.6	0	0	0	109.7	Y761 A764 I765 L824 C827 N846 I847	Y761-L829 HydrophobicContact CD1-CD2 3.81Å; A764-L829 HydrophobicContact CB-CD1 4.49Å; A764-L829 HydrophobicContact CB-CD2 4.27Å; I765-L829 HydrophobicContact CG1-CD1 4.15Å; I765-L829 HydrophobicContact CG1-CD2 4.36Å; L824-L829 HydrophobicContact CD2-CB 4.47Å; L824-L829 HydrophobicContact CD2-CD1 3.64Å; L824-L829 PolarHBondContact O-N 3.13Å; C827-L829 HydrophobicContact CB-CD1 4.34Å; C827-L829 HydrophobicContact CB-CG 4.03Å; C827-L829 PolarHBondContact O-N 2.82Å; C827-L829 VanDerWaalsContact O-N 3.13Å; L829-N846 WeakPolarHBondContact O-CB 3.36Å; L829-N846 PolarHBondContact O-N 3.24Å; L829-I847 HydrophobicContact CB-CD1 4.17Å; L829-I847 HydrophobicContact CD2-CD1 3.53Å; L829-I847 HydrophobicContact CG-CD1 4.46Å
830	L	93.9	Very high	86.2	Confident	1 Å²	1	74.2 Å²	74.2	1%	0.005	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	148.1	173.6	-57.2	178.9	0	0	0	111.3	F775 L776 I779 L824 V832 V843 R844 L845	F775-L830 HydrophobicContact CD1-CD1 4.23Å; F775-L830 HydrophobicContact CE1-CD1 3.8Å; L776-L830 HydrophobicContact CD2-CD2 4.05Å; I779-L830 HydrophobicContact CD1-CD1 3.84Å; I779-L830 HydrophobicContact CD1-CD2 3.54Å; I779-L830 HydrophobicContact CD1-CG 4.35Å; L824-L830 HydrophobicContact CB-CD1 3.56Å; L824-L830 HydrophobicContact CB-CG 3.85Å; L824-L830 HydrophobicContact CD1-CD1 4.01Å; L824-L830 HydrophobicContact CG-CD1 4.44Å; L824-L830 PolarHBondContact O-N 3.12Å; L830-V832 HydrophobicContact CB-CG2 3.75Å; L830-V843 HydrophobicContact CB-CG1 4.26Å; L830-V843 HydrophobicContact CD1-CG1 3.84Å; L830-V843 HydrophobicContact CD2-CG1 3.97Å; L830-V843 HydrophobicContact CG-CG1 4.24Å; L830-R844 WeakPolarHBondContact CA-O 3.39Å; L830-L845 HydrophobicContact CD2-CD2 3.71Å
831	L	93.3	Very high	86	Confident	66 Å²	66	74.6 Å²	74.6	35%	0.346	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124	157.8	-57.5	-179.6	0	0	0	106.9	V843 R844 N846	L831-V843 WeakPolarHBondContact O-CA 3.3Å; L831-R844 HydrophobicContact CB-CB 4.38Å; L831-R844 PolarHBondContact N-O 3.37Å; L831-R844 PolarHBondContact O-N 3.01Å; L831-N846 HydrophobicContact CD2-CB 4.18Å; L831-N846 HydrophobicContact CG-CB 4Å
832	V	90.8	Very high	85.9	Confident	48 Å²	48	80.5 Å²	80.5	29%	0.291	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.1	-172.1	-177.2	0	0	0	0	107.8	L830 M841 V843	L830-V832 HydrophobicContact CB-CG2 3.75Å; V832-M841 HydrophobicContact CG1-CE 3.51Å; V832-M841 HydrophobicContact CG1-CG 3.83Å; V832-M841 HydrophobicContact CG1-SD 3.42Å; V832-M841 WeakPolarHBondContact CG1-SD 3.47Å; V832-V843 HydrophobicContact CG2-CG2 4.49Å
833	E	88.8	Confident	86	Confident	86 Å²	86	76.7 Å²	76.7	40%	0.402	39%	0.391	S	S	.	.			trans	-69.6	144.3	180	-69.7	179	150.3	0	0	112.7	S835 M841 R842	E833-S835 PolarHBondContact O-N 3.2Å; E833-M841 HydrophobicContact CB-CG 4.17Å; E833-M841 VanDerWaalsContact O-CG 3.3Å; E833-M841 WeakPolarHBondContact O-CG 3.39Å; E833-R842 VanDerWaalsContact CD-CB 3.47Å; E833-R842 HydrophobicContact CG-CB 4Å; E833-R842 PolarHBondContact N-O 3.47Å; E833-R842 WeakPolarHBondContact OE1-CD 3.37Å; E833-R842 IonicContact OE1-NE 2.67Å; E833-R842 WeakPolarHBondContact OE2-CB 3.44Å; E833-R842 WeakPolarHBondContact OE2-CG 3.17Å; E833-R842 PolarHBondContact OE2-N 3.39Å
834	S	78.8	Confident	86.1	Confident	133 Å²	133	76.3 Å²	76.3	93%	0.93	39%	0.389	S	S	*	.			trans	-76.2	42.8	173.4	-51.1	0	0	0	0	112.9
835	S	68.9	Low	86.1	Confident	41 Å²	41	76.9 Å²	76.9	29%	0.287	39%	0.392	S	S	.	.			trans	-90.3	128.7	-170	-174.1	0	0	0	0	112.8	E833 K837	E833-S835 PolarHBondContact O-N 3.2Å; S835-K837 PolarHBondContact O-N 2.84Å; S835-K837 VanDerWaalsContact O-N 3.1Å; S835-K837 PolarHBondContact OG-N 3.23Å
836	N	64	Low	86.2	Confident	151 Å²	151	79.4 Å²	79.4	81%	0.807	40%	0.402	S	S	*	.	S	Bend	trans	-61.9	-14.3	170.9	-71.5	-19.9	0	0	0	113.1	Y838	N836-Y838 PolarHBondContact O-N 2.92Å
837	K	70.6	Confident	86.2	Confident	148 Å²	148	76.6 Å²	76.6	64%	0.643	38%	0.375	S	S	*	.			trans	-88.4	70.8	178.4	-61.5	-179.7	-178.1	176.8	0	110.4	S835 L839 H840 M841	S835-K837 PolarHBondContact O-N 2.84Å; S835-K837 VanDerWaalsContact O-N 3.1Å; S835-K837 PolarHBondContact OG-N 3.23Å; K837-L839 VanDerWaalsContact C-N 3.29Å; K837-L839 PolarHBondContact O-N 3.4Å; K837-H840 HydrophobicContact CB-CB 4.26Å; K837-H840 PolarHBondContact O-N 3.44Å; K837-M841 PolarHBondContact O-N 2.68Å
838	Y	75.8	Confident	86.3	Confident	164 Å²	164	75.2 Å²	75.2	64%	0.643	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-35.8	-48.6	-171.3	-62.6	-69.9	0	0	0	116.4	M818 N836 M841	M818-Y838 HydrophobicContact CE-CD1 3.85Å; M818-Y838 HydrophobicContact CE-CG 4.47Å; N836-Y838 PolarHBondContact O-N 2.92Å; Y838-M841 WeakPolarHBondContact O-CB 3.32Å
839	L	79.1	Confident	86.3	Confident	67 Å²	67	70.9 Å²	70.9	35%	0.351	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-27.4	-177.6	-70	174.9	0	0	0	114.2	Q794 V814 K837	Q794-L839 HydrophobicContact CB-CB 4.34Å; Q794-L839 WeakPolarHBondContact CB-O 3.36Å; Q794-L839 PolarHBondContact N-O 2.85Å; V814-L839 HydrophobicContact CG1-CD2 3.85Å; K837-L839 VanDerWaalsContact C-N 3.29Å; K837-L839 PolarHBondContact O-N 3.4Å
840	H	85.6	Confident	86.2	Confident	107 Å²	107	76.5 Å²	76.5	50%	0.495	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-3.3	-178.5	-57.8	-52.3	0	0	0	113.3	Q794 K837 R842	Q794-H840 PolarHBondContact OE1-CE1 2.7Å; Q794-H840 PolarHBondContact OE1-ND1 2.86Å; K837-H840 HydrophobicContact CB-CB 4.26Å; K837-H840 PolarHBondContact O-N 3.44Å; H840-R842 PolarHBondContact O-N 3.06Å
841	M	88.5	Confident	86.1	Confident	15 Å²	15	79.6 Å²	79.6	7%	0.074	40%	0.4	C	S	.	.			trans	-48	124.9	167.9	-174.1	172.8	70	0	0	110.4	T792 V793 M818 V832 E833 K837 Y838	T792-M841 WeakPolarHBondContact CA-O 3.43Å; V793-M841 HydrophobicContact CG2-CB 4.35Å; V793-M841 HydrophobicContact CG2-CE 3.58Å; V793-M841 PolarHBondContact N-O 2.93Å; M818-M841 HydrophobicContact CE-CE 3.49Å; M818-M841 VanDerWaalsContact CE-CE 3.49Å; M818-M841 HydrophobicContact CE-SD 4.37Å; M818-M841 HydrophobicContact SD-CE 4.08Å; V832-M841 HydrophobicContact CG1-CE 3.51Å; V832-M841 HydrophobicContact CG1-CG 3.83Å; V832-M841 HydrophobicContact CG1-SD 3.42Å; V832-M841 WeakPolarHBondContact CG1-SD 3.47Å; E833-M841 HydrophobicContact CB-CG 4.17Å; E833-M841 VanDerWaalsContact O-CG 3.3Å; E833-M841 WeakPolarHBondContact O-CG 3.39Å; K837-M841 PolarHBondContact O-N 2.68Å; Y838-M841 WeakPolarHBondContact O-CB 3.32Å
842	R	90.3	Very high	86	Confident	125 Å²	125	76.5 Å²	76.5	47%	0.472	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	150.4	176.1	-56.9	-177.3	-172.6	-159	3.7	111.8	E790 A791 E833 H840	E790-R842 WeakPolarHBondContact OE2-CD 3.14Å; E790-R842 IonicContact OE2-CZ 3.53Å; E790-R842 IonicContact OE2-NE 3.28Å; E790-R842 IonicContact OE2-NH1 2.58Å; E790-R842 PolarHBondContact OE2-NH1 2.97Å; A791-R842 WeakPolarHBondContact O-CA 3.2Å; E833-R842 VanDerWaalsContact CD-CB 3.47Å; E833-R842 HydrophobicContact CG-CB 4Å; E833-R842 PolarHBondContact N-O 3.47Å; E833-R842 WeakPolarHBondContact OE1-CD 3.37Å; E833-R842 IonicContact OE1-NE 2.67Å; E833-R842 WeakPolarHBondContact OE2-CB 3.44Å; E833-R842 WeakPolarHBondContact OE2-CG 3.17Å; E833-R842 PolarHBondContact OE2-N 3.39Å; H840-R842 PolarHBondContact O-N 3.06Å
843	V	92.8	Very high	86	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131	178.2	-179.8	0	0	0	0	108.8	I779 A791 V793 L830 L831 V832	I779-V843 HydrophobicContact CD1-CG1 3.83Å; A791-V843 PolarHBondContact N-O 3.38Å; A791-V843 VanDerWaalsContact N-O 3.1Å; A791-V843 PolarHBondContact O-N 3.33Å; V793-V843 HydrophobicContact CG2-CG2 3.57Å; L830-V843 HydrophobicContact CB-CG1 4.26Å; L830-V843 HydrophobicContact CD1-CG1 3.84Å; L830-V843 HydrophobicContact CD2-CG1 3.97Å; L830-V843 HydrophobicContact CG-CG1 4.24Å; L831-V843 WeakPolarHBondContact O-CA 3.3Å; V832-V843 HydrophobicContact CG2-CG2 4.49Å
844	R	93.3	Very high	86.2	Confident	106 Å²	106	78 Å²	78	40%	0.4	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.6	172.3	-178.7	158.6	-174.3	-163.4	1.2	109.9	E789 E790 L830 L831	E789-R844 VanDerWaalsContact O-CG 3.3Å; E789-R844 WeakPolarHBondContact O-CG 3.36Å; E789-R844 IonicContact OE2-CZ 2.75Å; E789-R844 IonicContact OE2-NE 3.99Å; E789-R844 PolarHBondContact OE2-NE 2.91Å; E789-R844 IonicContact OE2-NH2 3.16Å; E789-R844 PolarHBondContact OE2-NH2 3.08Å; E790-R844 HydrophobicContact CG-CB 4.4Å; L830-R844 WeakPolarHBondContact CA-O 3.39Å; L831-R844 HydrophobicContact CB-CB 4.38Å; L831-R844 PolarHBondContact N-O 3.37Å; L831-R844 PolarHBondContact O-N 3.01Å
845	L	93.7	Very high	86.7	Confident	17 Å²	17	71.7 Å²	71.7	9%	0.089	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.8	171.6	-67.9	170	0	0	0	109.6	L776 I779 L780 F783 L830 I847 Q849 V852	L776-L845 HydrophobicContact CD2-CD2 4.12Å; I779-L845 HydrophobicContact CG2-CD1 4.25Å; I779-L845 HydrophobicContact CG2-CD2 4.03Å; I779-L845 HydrophobicContact CG2-CG 3.92Å; L780-L845 HydrophobicContact CD2-CD1 3.71Å; L780-L845 HydrophobicContact CG-CD1 4.36Å; F783-L845 HydrophobicContact CD2-CD1 3.98Å; F783-L845 HydrophobicContact CD2-CG 4.48Å; F783-L845 HydrophobicContact CE2-CB 4.2Å; F783-L845 HydrophobicContact CE2-CD1 3.64Å; F783-L845 HydrophobicContact CE2-CG 3.67Å; F783-L845 HydrophobicContact CZ-CG 4.23Å; L830-L845 HydrophobicContact CD2-CD2 3.71Å; L845-I847 VanDerWaalsContact C-N 3.28Å; L845-I847 WeakPolarHBondContact CB-O 3.26Å; L845-Q849 HydrophobicContact CD1-CG 4.1Å; L845-V852 HydrophobicContact CD2-CG2 4.49Å
846	N	94	Very high	87.6	Confident	68 Å²	68	70.8 Å²	70.8	36%	0.364	33%	0.332	S	S	.	.	S	Bend	trans	-87.8	-0.1	172.3	-166.8	44.8	0	0	0	112.6	R828 L829 L831	R828-N846 VanDerWaalsContact O-CB 3.28Å; R828-N846 WeakPolarHBondContact O-CB 3.41Å; R828-N846 PolarHBondContact O-ND2 3.02Å; L829-N846 WeakPolarHBondContact O-CB 3.36Å; L829-N846 PolarHBondContact O-N 3.24Å; L831-N846 HydrophobicContact CD2-CB 4.18Å; L831-N846 HydrophobicContact CG-CB 4Å
847	I	92.4	Very high	88.2	Confident	22 Å²	22	71.1 Å²	71.1	11%	0.113	33%	0.326	C	S	.	.	S	Bend	trans	-130.9	153.7	-169.9	-61.9	155	0	0	0	107.3	Y761 I765 L829 L845 D851 V852	Y761-I847 HydrophobicContact CD1-CD1 4.06Å; Y761-I847 HydrophobicContact CD1-CG1 4.4Å; Y761-I847 HydrophobicContact CD2-CG1 4.47Å; Y761-I847 HydrophobicContact CG-CD1 3.98Å; Y761-I847 HydrophobicContact CG-CG1 4.1Å; I765-I847 HydrophobicContact CD1-CD1 4.14Å; L829-I847 HydrophobicContact CB-CD1 4.17Å; L829-I847 HydrophobicContact CD2-CD1 3.53Å; L829-I847 HydrophobicContact CG-CD1 4.46Å; L845-I847 VanDerWaalsContact C-N 3.28Å; L845-I847 WeakPolarHBondContact CB-O 3.26Å; I847-D851 HydrophobicContact CG2-CB 3.68Å; I847-V852 HydrophobicContact CB-CG2 4.02Å; I847-V852 HydrophobicContact CG2-CG2 3.78Å
848	S	92.8	Very high	87.2	Confident	54 Å²	54	71.5 Å²	71.5	38%	0.378	34%	0.335	S	S	.	.			trans	-62.2	147.8	178.6	86.9	0	0	0	0	111.6	D850 D851 V852	S848-D850 PolarHBondContact O-N 3.43Å; S848-D851 WeakPolarHBondContact CB-OD2 3.5Å; S848-D851 PolarHBondContact O-N 2.98Å; S848-D851 WeakPolarHBondContact OG-CB 3.34Å; S848-D851 PolarHBondContact OG-N 2.63Å; S848-D851 PolarHBondContact OG-OD2 3.44Å; S848-V852 WeakPolarHBondContact O-CG2 3.35Å; S848-V852 PolarHBondContact O-N 3.44Å
849	Q	91.9	Very high	87.8	Confident	63 Å²	63	66.9 Å²	66.9	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-32.3	178.6	-61.2	-172.4	31.7	0	0	111.6	L780 L845 M853	L780-Q849 HydrophobicContact CD2-CB 3.8Å; L780-Q849 HydrophobicContact CD2-CG 4.02Å; L845-Q849 HydrophobicContact CD1-CG 4.1Å; Q849-M853 WeakPolarHBondContact O-CB 3.3Å; Q849-M853 WeakPolarHBondContact O-CG 3.08Å; Q849-M853 PolarHBondContact O-N 2.92Å
850	D	91.6	Very high	88.3	Confident	124 Å²	124	66.9 Å²	66.9	66%	0.663	32%	0.318	S	S	*	.	H	α-helix	trans	-74.7	-37.6	-179.8	-66.6	-49.6	0	0	0	112.9	S848 V852 M853 Y854	S848-D850 PolarHBondContact O-N 3.43Å; D850-V852 VanDerWaalsContact C-N 3.35Å; D850-M853 CarbonylContact O-C 3.54Å; D850-M853 PolarHBondContact O-N 3.48Å; D850-Y854 VanDerWaalsContact O-CB 3.27Å; D850-Y854 WeakPolarHBondContact O-CB 3.33Å; D850-Y854 PolarHBondContact O-N 3.12Å
851	D	91.1	Very high	88.4	Confident	67 Å²	67	64.7 Å²	64.7	36%	0.358	31%	0.308	S	S	.	.	H	α-helix	trans	-63.4	-40.8	173.3	-68.2	-55	0	0	0	111.4	I847 S848 Y854 A855	I847-D851 HydrophobicContact CG2-CB 3.68Å; S848-D851 WeakPolarHBondContact CB-OD2 3.5Å; S848-D851 PolarHBondContact O-N 2.98Å; S848-D851 WeakPolarHBondContact OG-CB 3.34Å; S848-D851 PolarHBondContact OG-N 2.63Å; S848-D851 PolarHBondContact OG-OD2 3.44Å; D851-Y854 PolarHBondContact O-N 3.16Å; D851-A855 WeakPolarHBondContact O-CB 3.44Å; D851-A855 PolarHBondContact O-N 2.77Å
852	V	91.9	Very high	88.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-70.6	-39.6	176.9	-174.3	0	0	0	0	110.6	I765 L776 L780 L845 I847 S848 D850 Y854 A855 L856	I765-V852 HydrophobicContact CD1-CB 4.47Å; I765-V852 HydrophobicContact CD1-CG1 4.35Å; I765-V852 HydrophobicContact CD1-CG2 3.97Å; L776-V852 HydrophobicContact CB-CG1 4.07Å; L776-V852 HydrophobicContact CD1-CG1 4.45Å; L776-V852 HydrophobicContact CD2-CG1 4.48Å; L780-V852 HydrophobicContact CD1-CB 4.07Å; L780-V852 HydrophobicContact CD1-CG1 3.66Å; L780-V852 HydrophobicContact CG-CG1 4.49Å; L845-V852 HydrophobicContact CD2-CG2 4.49Å; I847-V852 HydrophobicContact CB-CG2 4.02Å; I847-V852 HydrophobicContact CG2-CG2 3.78Å; S848-V852 WeakPolarHBondContact O-CG2 3.35Å; S848-V852 PolarHBondContact O-N 3.44Å; D850-V852 VanDerWaalsContact C-N 3.35Å; V852-Y854 VanDerWaalsContact C-N 3.3Å; V852-Y854 PolarHBondContact O-N 3.27Å; V852-A855 PolarHBondContact O-N 3.12Å; V852-L856 HydrophobicContact CG1-CD1 3.72Å; V852-L856 HydrophobicContact CG1-CG 4.46Å; V852-L856 WeakPolarHBondContact O-CB 3.44Å; V852-L856 WeakPolarHBondContact O-CD1 3.48Å; V852-L856 WeakPolarHBondContact O-CG 3.17Å; V852-L856 PolarHBondContact O-N 2.7Å
853	M	91.1	Very high	88.3	Confident	41 Å²	41	64 Å²	64	20%	0.202	31%	0.312	C	S	.	.	H	α-helix	trans	-64.5	-31.5	171.7	-78.7	-66.9	-36.9	0	0	112.9	L780 Q849 D850 K857	L780-M853 HydrophobicContact CD1-CG 4Å; L780-M853 HydrophobicContact CD1-SD 3.86Å; Q849-M853 WeakPolarHBondContact O-CB 3.3Å; Q849-M853 WeakPolarHBondContact O-CG 3.08Å; Q849-M853 PolarHBondContact O-N 2.92Å; D850-M853 CarbonylContact O-C 3.54Å; D850-M853 PolarHBondContact O-N 3.48Å; M853-K857 WeakPolarHBondContact O-CB 3.3Å; M853-K857 VanDerWaalsContact O-CD 3.31Å; M853-K857 WeakPolarHBondContact O-CD 3.44Å; M853-K857 WeakPolarHBondContact O-CG 3.48Å
854	Y	91.6	Very high	88	Confident	124 Å²	124	68.3 Å²	68.3	49%	0.486	33%	0.333	S	S	.	.	H	α-helix	trans	-72.6	-47.8	175.5	170.6	-110.1	0	0	0	110.8	I762 R766 D850 D851 V852 L856 K857	I762-Y854 HydrophobicContact CD1-CD1 4.27Å; I762-Y854 HydrophobicContact CD1-CE1 4.46Å; I762-Y854 HydrophobicContact CG2-CE1 4.4Å; R766-Y854 PolarHBondContact NH2-OH 2.82Å; R766-Y854 VanDerWaalsContact NH2-OH 3.14Å; D850-Y854 VanDerWaalsContact O-CB 3.27Å; D850-Y854 WeakPolarHBondContact O-CB 3.33Å; D850-Y854 PolarHBondContact O-N 3.12Å; D851-Y854 PolarHBondContact O-N 3.16Å; V852-Y854 VanDerWaalsContact C-N 3.3Å; V852-Y854 PolarHBondContact O-N 3.27Å; Y854-L856 PolarHBondContact O-N 3.3Å; Y854-L856 VanDerWaalsContact O-N 3.12Å; Y854-K857 PolarHBondContact O-N 2.93Å
855	A	90.7	Very high	87.6	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-68.1	-7.5	179.3	0	0	0	0	0	115	I762 I765 D851 V852	I762-A855 HydrophobicContact CG2-CB 4.05Å; I765-A855 HydrophobicContact CB-CB 3.88Å; I765-A855 HydrophobicContact CD1-CB 4.32Å; I765-A855 HydrophobicContact CG2-CB 3.6Å; D851-A855 WeakPolarHBondContact O-CB 3.44Å; D851-A855 PolarHBondContact O-N 2.77Å; V852-A855 PolarHBondContact O-N 3.12Å
856	L	87.4	Confident	87.2	Confident	23 Å²	23	69.3 Å²	69.3	12%	0.12	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120	14.3	179.8	-63.1	174.1	0	0	0	113.3	I765 Q773 L776 K777 L780 V852 Y854	I765-L856 HydrophobicContact CG2-CD2 3.63Å; I765-L856 HydrophobicContact CG2-CG 3.87Å; Q773-L856 HydrophobicContact CB-CD2 3.71Å; Q773-L856 HydrophobicContact CG-CD2 3.71Å; L776-L856 HydrophobicContact CB-CD1 3.78Å; K777-L856 HydrophobicContact CG-CD1 4.09Å; L780-L856 HydrophobicContact CD1-CD1 4.43Å; V852-L856 HydrophobicContact CG1-CD1 3.72Å; V852-L856 HydrophobicContact CG1-CG 4.46Å; V852-L856 WeakPolarHBondContact O-CB 3.44Å; V852-L856 WeakPolarHBondContact O-CD1 3.48Å; V852-L856 WeakPolarHBondContact O-CG 3.17Å; V852-L856 PolarHBondContact O-N 2.7Å; Y854-L856 PolarHBondContact O-N 3.3Å; Y854-L856 VanDerWaalsContact O-N 3.12Å
857	K	76.1	Confident	86.6	Confident	157 Å²	157	69.4 Å²	69.4	68%	0.683	35%	0.345	S	S	*	.			trans	-108.3	-14.9	178.2	-95.1	176.4	-179.6	178.6	0	114.2	M853 Y854	M853-K857 WeakPolarHBondContact O-CB 3.3Å; M853-K857 VanDerWaalsContact O-CD 3.31Å; M853-K857 WeakPolarHBondContact O-CD 3.44Å; M853-K857 WeakPolarHBondContact O-CG 3.48Å; Y854-K857 PolarHBondContact O-N 2.93Å
858	D	50.6	Low	86.1	Confident	157 Å²	157	73.7 Å²	73.7	84%	0.84	37%	0.367	S	S	*	.			trans	-89.9	0	164.4	-49.6	-49.2	0	0	0	109.2	R766	R766-D858 IonicContact CZ-OD2 4Å; R766-D858 IonicContact NE-OD2 3.82Å; R766-D858 PolarHBondContact NE-OD2 3.25Å; R766-D858 IonicContact NH2-OD2 2.7Å; R766-D858 PolarHBondContact NH2-OD2 2.85Å

Retrieved 858 of 858 residues in 223.3 ms (Link to these results)

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