TS1R1_MOUSE Loading...

Taste receptor type 1 member 1

Putative taste receptor. TAS1R1/TAS1R3 responds to the umami taste stimulus (the taste of monosodium glutamate) and also to most of the 20 standard L-amino acids, but not to their D-enantiomers or other compounds. Sequence differences within and between species can significantly influence the selectivity and specificity of taste responses.

AlphaFold DB , UniProt , Accession Q99PG6, Species MOUSE (Mus musculus, Mouse), Gene Tas1r1, Length 842 aa.

						>TS1R1_MOUSE|Q99PG6|Tas1r1
MLFWAAHLLLSLQLAVAYCWAFSCQRTESSPGFSLPGDFLLAGLFSLHADCLQVRHRPLVTSCDRSDSFNGHGYHLFQAMRFTVEEINNSTALLPNITLGYELYDVCSESSNVYATLRVLAQQGTGHLEMQRDLRNHSSKVVALIGPDNTDHAVTTAALLSPFLMPLVSYEASSVILSGKRKFPSFLRTIPSDKYQVEVIVRLLQSFGWVWISLVGSYGDYGQLGVQALEELATPRGICVAFKNVVPLSAQAGDPRMQRMMLRLARARTTVVVVFSNRHLDGVFFRSVVLANLTGKVWIASEDWAISTNIPNVSGIQGIGTVLGVAIQQRQVPGLKEFEESYVQAVMGAPRTCPEGSWCGTNQLCRECHAFTTWNMPELGAFSMSAAYNVYEAVYAVAHGLHQLLGCTSGTCARGPVHPWQLLQQIYKVNFLLHKKTVAFDDKGDPLGYYDIIAWDWNGPEWTFEVIGSASLSPVHLDINKTKIQWHGKNNQVPVSVCTRDCLEGHHRLVMGSHHCCFECMPCEAGTFLNTSELHTCQPCGTEEWAPEGSSACFSRTVEFLGWHEPISLVLLAANTLLLLLLIGTAGLFAWRLHTPVVRSAGGRLCFLMLGSLVAGSCSLYSFFGKPTVPACLLRQPLFSLGFAIFLSCLTIRSFQLVIIFKFSTKVPTFYHTWAQNHGAGIFVIVSSTVHLFLCLTWLAMWTPRPTREYQRFPHLVILECTEVNSVGFLVAFAHNILLSISTFVCSYLGKELPENYNEAKCVTFSLLLHFVSWIAFFTMSSIYQGSYLPAVNVLAGLATLSGGFSGYFLPKCYVILCRPELNNTEHFQASIQDYTRRCGTT
					

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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	63.2	Low	75.5	Confident	209 Å²	209	124.5 Å²	124.5	100%	1.03	64%	0.641	S	S	*	*				0	-47.3	0	-71.6	179	98.7	0	0	112.9	F3 W4 A5	M1-F3 PolarHBondContact O-N 3.48Å; M1-W4 PolarHBondContact O-N 3.02Å; M1-A5 PolarHBondContact O-N 3.01Å
2	L	68.4	Low	75.5	Confident	158 Å²	158	123.3 Å²	123.3	83%	0.827	64%	0.635	S	S	*	*	H	α-helix	trans	-56.3	-40.8	178	-85.3	145.4	0	0	0	115	W4 A5 A6	L2-W4 VanDerWaalsContact C-N 3.35Å; L2-W4 PolarHBondContact O-N 3.02Å; L2-A5 PolarHBondContact O-N 3.07Å; L2-A6 PolarHBondContact O-N 2.8Å; L2-A6 VanDerWaalsContact O-N 3.08Å
3	F	74.4	Confident	75.5	Confident	163 Å²	163	124.7 Å²	124.7	72%	0.715	64%	0.637	S	S	*	*	H	α-helix	trans	-62.8	-37.1	177	-106.7	-85.4	0	0	0	113.7	M1 H7	M1-F3 PolarHBondContact O-N 3.48Å; F3-H7 PolarHBondContact O-CD2 3.19Å; F3-H7 PolarHBondContact O-N 2.83Å; F3-H7 VanDerWaalsContact O-N 3.15Å
4	W	78	Confident	75.2	Confident	207 Å²	207	122.3 Å²	122.3	78%	0.784	63%	0.626	S	S	*	*	H	α-helix	trans	-73.1	-38.5	179.1	-79.5	86.6	0	0	0	111.8	M1 L2 H7 L8	M1-W4 PolarHBondContact O-N 3.02Å; L2-W4 VanDerWaalsContact C-N 3.35Å; L2-W4 PolarHBondContact O-N 3.02Å; W4-H7 PolarHBondContact O-N 3.32Å; W4-L8 WeakPolarHBondContact O-CB 2.95Å; W4-L8 PolarHBondContact O-N 3.04Å
5	A	78.9	Confident	74.5	Confident	53 Å²	53	117.5 Å²	117.5	44%	0.438	61%	0.611	S	S	.	*	H	α-helix	trans	-64.5	-40.7	175.2	0	0	0	0	0	112	M1 L2 L8 L9	M1-A5 PolarHBondContact O-N 3.01Å; L2-A5 PolarHBondContact O-N 3.07Å; A5-L8 PolarHBondContact O-N 3.47Å; A5-L9 WeakPolarHBondContact O-CB 3.3Å; A5-L9 PolarHBondContact O-N 3.28Å
6	A	79.5	Confident	73.8	Confident	58 Å²	58	114.6 Å²	114.6	48%	0.479	60%	0.6	S	S	.	*	H	α-helix	trans	-64.1	-43.6	176.4	0	0	0	0	0	112.1	L2 L8 L9 L10	L2-A6 PolarHBondContact O-N 2.8Å; L2-A6 VanDerWaalsContact O-N 3.08Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-L8 PolarHBondContact O-N 3.39Å; A6-L9 PolarHBondContact O-N 3.2Å; A6-L10 WeakPolarHBondContact O-CB 3.23Å; A6-L10 PolarHBondContact O-N 3.34Å
7	H	79.9	Confident	73	Confident	122 Å²	122	111.2 Å²	111.2	57%	0.565	59%	0.592	S	S	*	*	H	α-helix	trans	-63.4	-38.8	175.3	-91.3	-65.6	0	0	0	112.9	F3 W4 L10 S11	F3-H7 PolarHBondContact O-CD2 3.19Å; F3-H7 PolarHBondContact O-N 2.83Å; F3-H7 VanDerWaalsContact O-N 3.15Å; W4-H7 PolarHBondContact O-N 3.32Å; H7-L10 PolarHBondContact O-N 3.05Å; H7-S11 WeakPolarHBondContact O-CB 2.93Å; H7-S11 PolarHBondContact O-N 3.4Å; H7-S11 PolarHBondContact O-OG 2.93Å; H7-S11 VanDerWaalsContact O-OG 3.07Å
8	L	78.7	Confident	72.1	Confident	120 Å²	120	112.9 Å²	112.9	63%	0.628	59%	0.591	S	S	*	*	H	α-helix	trans	-69.2	-39	178.8	-143.4	105.5	0	0	0	112.1	W4 A5 A6 S11 L12	W4-L8 WeakPolarHBondContact O-CB 2.95Å; W4-L8 PolarHBondContact O-N 3.04Å; A5-L8 PolarHBondContact O-N 3.47Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-L8 PolarHBondContact O-N 3.39Å; L8-S11 WeakPolarHBondContact CA-OG 3.47Å; L8-S11 PolarHBondContact O-OG 3.23Å; L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.33Å; L8-L12 PolarHBondContact O-N 2.95Å
9	L	75.8	Confident	71.1	Confident	114 Å²	114	111.4 Å²	111.4	60%	0.597	59%	0.589	S	S	*	*	H	α-helix	trans	-66	-41.6	174.2	-87.4	155	0	0	0	111.5	A5 A6 L12 Q13	A5-L9 WeakPolarHBondContact O-CB 3.3Å; A5-L9 PolarHBondContact O-N 3.28Å; A6-L9 PolarHBondContact O-N 3.2Å; L9-L12 PolarHBondContact O-N 3.48Å; L9-Q13 WeakPolarHBondContact O-CB 3.07Å; L9-Q13 WeakPolarHBondContact O-CG 3.39Å; L9-Q13 PolarHBondContact O-N 3.33Å
10	L	76.8	Confident	70.1	Confident	101 Å²	101	115.3 Å²	115.3	53%	0.529	60%	0.596	S	S	.	*	H	α-helix	trans	-67.8	-41.8	178.4	-156.7	80.5	0	0	0	111.4	A6 H7 Q13 L14	A6-L10 WeakPolarHBondContact O-CB 3.23Å; A6-L10 PolarHBondContact O-N 3.34Å; H7-L10 PolarHBondContact O-N 3.05Å; L10-Q13 PolarHBondContact O-N 3.09Å; L10-L14 HydrophobicContact CG-CD1 4.35Å; L10-L14 WeakPolarHBondContact O-CB 3.29Å; L10-L14 PolarHBondContact O-N 2.69Å
11	S	77.1	Confident	69.2	Low	65 Å²	65	112.9 Å²	112.9	46%	0.455	59%	0.593	S	S	.	*	H	α-helix	trans	-68.8	-35.4	176.8	63.4	0	0	0	0	112.1	H7 L8 L14 A15	H7-S11 WeakPolarHBondContact O-CB 2.93Å; H7-S11 PolarHBondContact O-N 3.4Å; H7-S11 PolarHBondContact O-OG 2.93Å; H7-S11 VanDerWaalsContact O-OG 3.07Å; L8-S11 WeakPolarHBondContact CA-OG 3.47Å; L8-S11 PolarHBondContact O-OG 3.23Å; S11-L14 PolarHBondContact O-N 2.96Å; S11-A15 VanDerWaalsContact O-CB 3.23Å; S11-A15 WeakPolarHBondContact O-CB 3.43Å; S11-A15 PolarHBondContact O-N 3.18Å
12	L	75.4	Confident	68.3	Low	110 Å²	110	110.6 Å²	110.6	58%	0.576	58%	0.578	S	S	*	*	H	α-helix	trans	-67.5	-41.8	173.4	-158.8	81.4	0	0	0	111.2	L8 L9 A15 V16	L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.33Å; L8-L12 PolarHBondContact O-N 2.95Å; L9-L12 PolarHBondContact O-N 3.48Å; L12-A15 PolarHBondContact O-N 3.48Å; L12-V16 VanDerWaalsContact O-CB 3.3Å; L12-V16 WeakPolarHBondContact O-CB 3.38Å; L12-V16 WeakPolarHBondContact O-CG2 3.48Å; L12-V16 PolarHBondContact O-N 3.16Å
13	Q	74.6	Confident	67.2	Low	141 Å²	141	106.8 Å²	106.8	66%	0.659	56%	0.564	S	S	*	*	H	α-helix	trans	-65.1	-39.9	174.4	-76.4	-159.4	-12.5	0	0	112.3	L9 L10 A17	L9-Q13 WeakPolarHBondContact O-CB 3.07Å; L9-Q13 WeakPolarHBondContact O-CG 3.39Å; L9-Q13 PolarHBondContact O-N 3.33Å; L10-Q13 PolarHBondContact O-N 3.09Å; Q13-A17 WeakPolarHBondContact O-CB 3.46Å; Q13-A17 PolarHBondContact O-N 3.33Å
14	L	71.9	Confident	65.8	Low	91 Å²	91	104.1 Å²	104.1	48%	0.476	56%	0.564	S	S	.	*	H	α-helix	trans	-64.4	-44.6	173.2	-90.8	151.9	0	0	0	111.4	L10 S11 A17 Y18	L10-L14 HydrophobicContact CG-CD1 4.35Å; L10-L14 WeakPolarHBondContact O-CB 3.29Å; L10-L14 PolarHBondContact O-N 2.69Å; S11-L14 PolarHBondContact O-N 2.96Å; L14-A17 PolarHBondContact O-N 2.96Å; L14-Y18 HydrophobicContact CD2-CD2 4.31Å; L14-Y18 HydrophobicContact CD2-CE2 4.15Å; L14-Y18 VanDerWaalsContact O-CB 3.25Å; L14-Y18 WeakPolarHBondContact O-CB 3.31Å; L14-Y18 VanDerWaalsContact O-CD2 3.31Å; L14-Y18 WeakPolarHBondContact O-CD2 3.38Å; L14-Y18 PolarHBondContact O-N 3.27Å
15	A	64.3	Low	64.2	Low	50 Å²	50	99.7 Å²	99.7	41%	0.413	55%	0.553	S	S	.	*	H	α-helix	trans	-66.7	-39	179.1	0	0	0	0	0	112	S11 L12 Y18 C19	S11-A15 VanDerWaalsContact O-CB 3.23Å; S11-A15 WeakPolarHBondContact O-CB 3.43Å; S11-A15 PolarHBondContact O-N 3.18Å; L12-A15 PolarHBondContact O-N 3.48Å; A15-Y18 PolarHBondContact O-N 3.26Å; A15-C19 WeakPolarHBondContact O-CB 3.42Å; A15-C19 PolarHBondContact O-N 3.35Å; A15-C19 PolarHBondContact O-SG 3.47Å
16	V	63.8	Low	62.8	Low	71 Å²	71	108.1 Å²	108.1	43%	0.43	57%	0.573	S	S	.	*	H	α-helix	trans	-64.7	-50.2	173	171.1	0	0	0	0	109.2	L12 Y18 C19 W20	L12-V16 VanDerWaalsContact O-CB 3.3Å; L12-V16 WeakPolarHBondContact O-CB 3.38Å; L12-V16 WeakPolarHBondContact O-CG2 3.48Å; L12-V16 PolarHBondContact O-N 3.16Å; V16-Y18 VanDerWaalsContact C-N 3.31Å; V16-Y18 PolarHBondContact O-N 2.93Å; V16-C19 PolarHBondContact O-N 2.81Å; V16-C19 VanDerWaalsContact O-N 3.13Å; V16-W20 VanDerWaalsContact CG1-CD1 3.41Å; V16-W20 PolarHBondContact O-N 3Å
17	A	60.7	Low	61.6	Low	57 Å²	57	107.7 Å²	107.7	47%	0.471	57%	0.565	S	S	.	*	H	α-helix	trans	-59	-39.9	176.2	0	0	0	0	0	112.6	Q13 L14 W20 A21	Q13-A17 WeakPolarHBondContact O-CB 3.46Å; Q13-A17 PolarHBondContact O-N 3.33Å; L14-A17 PolarHBondContact O-N 2.96Å; A17-W20 PolarHBondContact O-N 3.29Å; A17-A21 VanDerWaalsContact O-CB 3.25Å; A17-A21 WeakPolarHBondContact O-CB 3.42Å; A17-A21 PolarHBondContact O-N 3.13Å
18	Y	56.7	Low	60.5	Low	142 Å²	142	107 Å²	107	56%	0.557	56%	0.562	S	S	*	*	H	α-helix	trans	-65.6	-43.9	173.6	-99.2	-100.5	0	0	0	111.3	L14 A15 V16 W20 A21 F22	L14-Y18 HydrophobicContact CD2-CD2 4.31Å; L14-Y18 HydrophobicContact CD2-CE2 4.15Å; L14-Y18 VanDerWaalsContact O-CB 3.25Å; L14-Y18 WeakPolarHBondContact O-CB 3.31Å; L14-Y18 VanDerWaalsContact O-CD2 3.31Å; L14-Y18 WeakPolarHBondContact O-CD2 3.38Å; L14-Y18 PolarHBondContact O-N 3.27Å; A15-Y18 PolarHBondContact O-N 3.26Å; V16-Y18 VanDerWaalsContact C-N 3.31Å; V16-Y18 PolarHBondContact O-N 2.93Å; Y18-W20 VanDerWaalsContact C-N 3.34Å; Y18-W20 PolarHBondContact O-N 3.48Å; Y18-A21 PolarHBondContact O-N 3.11Å; Y18-F22 AromaticContact CD1-CD2 3.87Å; Y18-F22 HydrophobicContact CD1-CD2 3.87Å; Y18-F22 AromaticContact CD1-CE2 3.49Å; Y18-F22 HydrophobicContact CD1-CE2 3.49Å; Y18-F22 VanDerWaalsContact CD1-CE2 3.49Å; Y18-F22 AromaticContact CE1-CE2 3.77Å; Y18-F22 HydrophobicContact CE1-CE2 3.77Å; Y18-F22 WeakPolarHBondContact O-CB 3.4Å; Y18-F22 WeakPolarHBondContact O-CD2 3.49Å; Y18-F22 PolarHBondContact O-N 3.01Å
19	C	52.7	Low	59.9	Low	84 Å²	84	103.3 Å²	103.3	57%	0.568	55%	0.546	S	S	*	.	H	α-helix	trans	-63.1	-40.1	175.9	-74.4	0	0	0	0	111.5	A15 V16 S23	A15-C19 WeakPolarHBondContact O-CB 3.42Å; A15-C19 PolarHBondContact O-N 3.35Å; A15-C19 PolarHBondContact O-SG 3.47Å; V16-C19 PolarHBondContact O-N 2.81Å; V16-C19 VanDerWaalsContact O-N 3.13Å; C19-S23 WeakPolarHBondContact O-CB 3.37Å; C19-S23 PolarHBondContact O-N 2.83Å; C19-S23 PolarHBondContact O-OG 3.46Å
20	W	51	Low	59.6	Low	190 Å²	190	98.2 Å²	98.2	72%	0.72	52%	0.52	S	S	*	.	H	α-helix	trans	-68.6	-36.5	174.1	-72.3	106.2	0	0	0	112.3	V16 A17 Y18	V16-W20 VanDerWaalsContact CG1-CD1 3.41Å; V16-W20 PolarHBondContact O-N 3Å; A17-W20 PolarHBondContact O-N 3.29Å; Y18-W20 VanDerWaalsContact C-N 3.34Å; Y18-W20 PolarHBondContact O-N 3.48Å
21	A	52	Low	59.4	Low	65 Å²	65	95.7 Å²	95.7	54%	0.537	51%	0.509	S	S	.	.	H	α-helix	trans	-69.7	-39	177.1	0	0	0	0	0	112.6	A17 Y18	A17-A21 VanDerWaalsContact O-CB 3.25Å; A17-A21 WeakPolarHBondContact O-CB 3.42Å; A17-A21 PolarHBondContact O-N 3.13Å; Y18-A21 PolarHBondContact O-N 3.11Å
22	F	44	Very low	59.7	Low	161 Å²	161	93.3 Å²	93.3	71%	0.706	50%	0.495	S	S	*	.	H	α-helix	trans	-84.2	-20.4	177.8	-80.5	-80.2	0	0	0	113.7	Y18 C24	Y18-F22 AromaticContact CD1-CD2 3.87Å; Y18-F22 HydrophobicContact CD1-CD2 3.87Å; Y18-F22 AromaticContact CD1-CE2 3.49Å; Y18-F22 HydrophobicContact CD1-CE2 3.49Å; Y18-F22 VanDerWaalsContact CD1-CE2 3.49Å; Y18-F22 AromaticContact CE1-CE2 3.77Å; Y18-F22 HydrophobicContact CE1-CE2 3.77Å; Y18-F22 WeakPolarHBondContact O-CB 3.4Å; Y18-F22 WeakPolarHBondContact O-CD2 3.49Å; Y18-F22 PolarHBondContact O-N 3.01Å; F22-C24 PolarHBondContact O-N 2.92Å
23	S	45.3	Very low	60.4	Low	78 Å²	78	88.2 Å²	88.2	55%	0.545	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-3.9	168.3	-92.9	0	0	0	0	113.8	C19 Q25	C19-S23 WeakPolarHBondContact O-CB 3.37Å; C19-S23 PolarHBondContact O-N 2.83Å; C19-S23 PolarHBondContact O-OG 3.46Å; S23-Q25 PolarHBondContact O-N 3.13Å
24	C	44.8	Very low	61.1	Low	106 Å²	106	84 Å²	84	72%	0.716	46%	0.455	S	S	*	.			trans	-72	68.8	164.3	-75.8	0	0	0	0	109.6	F22	F22-C24 PolarHBondContact O-N 2.92Å
25	Q	44	Very low	62.2	Low	115 Å²	115	82 Å²	82	54%	0.537	44%	0.444	S	S	.	.			trans	-55.2	139.5	172.9	-144.2	152.5	-12.4	0	0	108.7	S23 T27	S23-Q25 PolarHBondContact O-N 3.13Å; Q25-T27 PolarHBondContact O-N 3.33Å
26	R	50.5	Low	63.5	Low	229 Å²	229	85 Å²	85	86%	0.864	46%	0.459	S	S	*	.			trans	-59.2	109.1	178.1	-175.9	-179.7	-112.8	-174.7	-2.6	107.6	E28	R26-E28 PolarHBondContact O-N 3.45Å
27	T	53.8	Low	65	Low	50 Å²	50	83 Å²	83	31%	0.307	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-67	116.7	-176.1	52.2	0	0	0	0	109.7	Q25 W358	Q25-T27 PolarHBondContact O-N 3.33Å; T27-W358 WeakPolarHBondContact CA-O 3.45Å; T27-W358 WeakPolarHBondContact CB-O 3.12Å; T27-W358 HydrophobicContact CG2-CB 4.43Å; T27-W358 WeakPolarHBondContact CG2-O 3.04Å
28	E	56.8	Low	66.5	Low	107 Å²	107	84.1 Å²	84.1	50%	0.5	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-72.8	144.8	171	-75.3	-175.5	160.9	0	0	110.3	R26 P354 C359 G360	R26-E28 PolarHBondContact O-N 3.45Å; E28-P354 WeakPolarHBondContact OE2-CD 3.3Å; E28-P354 WeakPolarHBondContact OE2-CG 3.36Å; E28-C359 WeakPolarHBondContact O-CA 3.34Å; E28-C359 PolarHBondContact O-SG 2.97Å; E28-G360 PolarHBondContact O-N 3.33Å
29	S	66.5	Low	68.4	Low	42 Å²	42	78.3 Å²	78.3	29%	0.294	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-98.6	152.6	174.5	52.7	0	0	0	0	110.2
30	S	69.2	Low	70.4	Confident	8 Å²	8	75.3 Å²	75.3	6%	0.056	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-68.3	150.6	172.6	57.7	0	0	0	0	111.5	G32 F33 Q363	S30-G32 PolarHBondContact O-N 3.32Å; S30-F33 PolarHBondContact O-N 3.43Å; S30-F33 WeakPolarHBondContact OG-CD2 3.47Å; S30-F33 WeakPolarHBondContact OG-CE2 3.37Å; S30-Q363 PolarHBondContact N-O 3.37Å; S30-Q363 PolarHBondContact OG-O 2.97Å
31	P	73.2	Confident	72.6	Confident	48 Å²	48	66.3 Å²	66.3	31%	0.312	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	130	179.9	-25.7	33.3	0	0	0	112.4	Y342 R351	P31-Y342 PolarHBondContact O-OH 3.12Å; P31-R351 HydrophobicContact CG-CB 4.42Å
32	G	82.9	Confident	74.7	Confident	14 Å²	14	63.2 Å²	63.2	14%	0.144	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.8	-13.6	177.9	0	0	0	0	0	115	S30 S34 Y101	S30-G32 PolarHBondContact O-N 3.32Å; G32-S34 VanDerWaalsContact C-N 3.35Å; G32-Y101 WeakPolarHBondContact O-CE2 3.43Å; G32-Y101 PolarHBondContact O-OH 3.2Å
33	F	89.8	Confident	77.3	Confident	3 Å²	3	55.5 Å²	55.5	1%	0.013	31%	0.313	C	S	.	.	S	Bend	trans	-79.2	-15.4	175.5	-80.4	-98.7	0	0	0	114.1	S30 L47 F77 L103 Q363 C365	S30-F33 PolarHBondContact O-N 3.43Å; S30-F33 WeakPolarHBondContact OG-CD2 3.47Å; S30-F33 WeakPolarHBondContact OG-CE2 3.37Å; F33-L47 HydrophobicContact CE1-CD1 3.81Å; F33-L47 HydrophobicContact CE2-CD1 4.42Å; F33-L47 HydrophobicContact CZ-CD1 3.41Å; F33-L47 VanDerWaalsContact CZ-CD1 3.41Å; F33-F77 AromaticContact CD1-CE2 3.95Å; F33-F77 HydrophobicContact CD1-CE2 3.95Å; F33-F77 HydrophobicContact CD2-CE2 4.39Å; F33-F77 HydrophobicContact CD2-CZ 4.16Å; F33-F77 AromaticContact CE1-CE2 3.93Å; F33-F77 HydrophobicContact CE1-CE2 3.93Å; F33-F77 HydrophobicContact CE2-CE2 4.36Å; F33-F77 HydrophobicContact CE2-CZ 4.2Å; F33-F77 HydrophobicContact CG-CE2 4.22Å; F33-F77 HydrophobicContact CG-CZ 4.34Å; F33-F77 HydrophobicContact CZ-CE2 4.16Å; F33-F77 HydrophobicContact CZ-CZ 4.44Å; F33-L103 HydrophobicContact CD1-CB 4.21Å; F33-L103 WeakPolarHBondContact CD1-O 3.44Å; F33-L103 PolarHBondContact O-N 2.71Å; F33-Q363 HydrophobicContact CB-CB 4.25Å; F33-Q363 HydrophobicContact CD1-CB 3.77Å; F33-Q363 HydrophobicContact CD1-CG 4.03Å; F33-Q363 HydrophobicContact CE1-CB 4.3Å; F33-Q363 HydrophobicContact CG-CB 4.02Å; F33-C365 HydrophobicContact CE2-CB 4.24Å; F33-C365 HydrophobicContact CZ-CB 4.2Å
34	S	90.2	Very high	79.8	Confident	54 Å²	54	51.8 Å²	51.8	38%	0.378	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.5	178.6	58.9	0	0	0	0	111.3	G32 Y101	G32-S34 VanDerWaalsContact C-N 3.35Å; S34-Y101 VanDerWaalsContact CA-O 3.3Å; S34-Y101 WeakPolarHBondContact CA-O 3.49Å
35	L	93.5	Very high	82.3	Confident	49 Å²	49	46.8 Å²	46.8	26%	0.257	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	126.1	171.7	-177.9	75.4	0	0	0	108.2	V84 G100 Y101	L35-V84 HydrophobicContact CD2-CG1 3.85Å; L35-G100 CarbonylContact O-C 3.51Å; L35-G100 WeakPolarHBondContact O-CA 3.36Å; L35-Y101 HydrophobicContact CB-CD1 3.81Å; L35-Y101 HydrophobicContact CB-CD2 4.01Å; L35-Y101 HydrophobicContact CB-CE1 3.51Å; L35-Y101 HydrophobicContact CB-CE2 3.72Å; L35-Y101 HydrophobicContact CB-CG 4.06Å; L35-Y101 VanDerWaalsContact CB-CZ 3.48Å; L35-Y101 HydrophobicContact CD2-CD1 4.06Å; L35-Y101 HydrophobicContact CD2-CE1 3.65Å; L35-Y101 HydrophobicContact CG-CE1 4.2Å; L35-Y101 PolarHBondContact N-O 2.91Å; L35-Y101 PolarHBondContact O-N 3.09Å
36	P	93	Very high	84.7	Confident	112 Å²	112	41.8 Å²	41.8	73%	0.727	23%	0.231	S	C	*	.			trans	-68.6	149.1	174.3	29.9	-34.2	0	0	0	110.9
37	G	93.7	Very high	86.7	Confident	28 Å²	28	30.9 Å²	30.9	29%	0.289	19%	0.19	S	C	.	.			trans	-166.9	172.6	173.8	0	0	0	0	0	111	F39 T98	G37-F39 VanDerWaalsContact C-N 3.32Å; G37-T98 WeakPolarHBondContact CA-OG1 3.17Å
38	D	94	Very high	88.5	Confident	82 Å²	82	28.5 Å²	28.5	44%	0.439	18%	0.175	S	C	.	.	S	Bend	trans	-64.7	-37	177.5	-63.2	-65.5	0	0	0	111.7	I97 T98	D38-I97 HydrophobicContact CB-CG2 4.24Å; D38-T98 WeakPolarHBondContact CB-O 3.5Å; D38-T98 PolarHBondContact N-O 3.38Å; D38-T98 PolarHBondContact N-OG1 3.47Å; D38-T98 VanDerWaalsContact N-OG1 3.12Å; D38-T98 PolarHBondContact OD2-N 3.42Å; D38-T98 PolarHBondContact OD2-OG1 3.42Å
39	F	94.8	Very high	89.9	Confident	20 Å²	20	25.5 Å²	25.5	9%	0.088	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.9	172.1	-60.4	-78	0	0	0	110.4	G37 I97 T98 L99 G100 V142 L401 L405 V417	G37-F39 VanDerWaalsContact C-N 3.32Å; F39-I97 HydrophobicContact CD2-CG2 3.57Å; F39-I97 HydrophobicContact CE2-CG2 3.63Å; F39-T98 PolarHBondContact N-O 3.18Å; F39-L99 HydrophobicContact CB-CD2 4.21Å; F39-L99 WeakPolarHBondContact O-CA 3.31Å; F39-G100 PolarHBondContact O-N 2.87Å; F39-V142 HydrophobicContact CB-CG2 4.25Å; F39-V142 HydrophobicContact CD1-CG1 4.03Å; F39-L401 HydrophobicContact CB-CD1 4.33Å; F39-L405 HydrophobicContact CD2-CD1 4.35Å; F39-L405 HydrophobicContact CE2-CD1 3.52Å; F39-L405 HydrophobicContact CE2-CD2 4.34Å; F39-L405 HydrophobicContact CZ-CD1 3.95Å; F39-L405 HydrophobicContact CZ-CD2 3.9Å; F39-V417 HydrophobicContact CD1-CB 4.33Å; F39-V417 HydrophobicContact CD1-CG2 4.27Å; F39-V417 HydrophobicContact CE1-CB 3.84Å; F39-V417 HydrophobicContact CE1-CG2 3.45Å; F39-V417 VanDerWaalsContact CE1-CG2 3.45Å; F39-V417 HydrophobicContact CZ-CG2 3.87Å
40	L	94.9	Very high	90.3	Very high	21 Å²	21	26.1 Å²	26.1	11%	0.11	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.3	-178.4	-60.6	178.2	0	0	0	111.5	K140 V141 V142	L40-K140 HydrophobicContact CD1-CD 4.47Å; L40-K140 HydrophobicContact CD1-CG 3.85Å; L40-V141 HydrophobicContact CB-CB 4.44Å; L40-V141 HydrophobicContact CB-CG1 3.9Å; L40-V141 CarbonylContact O-C 3.56Å; L40-V141 WeakPolarHBondContact O-CA 3.32Å; L40-V141 VanDerWaalsContact O-CB 3.31Å; L40-V141 WeakPolarHBondContact O-CB 3.32Å; L40-V142 PolarHBondContact O-N 3.07Å
41	L	97.4	Very high	90.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	141.6	168.9	-54.6	-173.9	0	0	0	110.1	M80 L99 G100 Y101 E102 V142 A143 V394 V397	L41-M80 HydrophobicContact CB-CE 3.65Å; L41-M80 HydrophobicContact CD1-CE 4.45Å; L41-L99 HydrophobicContact CD1-CD1 4.47Å; L41-G100 PolarHBondContact N-O 2.97Å; L41-Y101 CarbonylContact O-C 3.47Å; L41-Y101 WeakPolarHBondContact O-CA 3.34Å; L41-E102 PolarHBondContact O-N 3.43Å; L41-V142 HydrophobicContact CD2-CG2 3.82Å; L41-A143 HydrophobicContact CD2-CB 4.22Å; L41-V394 HydrophobicContact CD1-CG1 4.15Å; L41-V397 HydrophobicContact CD1-CG1 4.37Å; L41-V397 HydrophobicContact CD2-CG1 3.61Å
42	A	97.2	Very high	89.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	145.3	167.7	0	0	0	0	0	111	E102 V119 V141 A143 L144 I145	A42-E102 CarbonylContact C-O 3.48Å; A42-E102 VanDerWaalsContact CA-O 3.26Å; A42-E102 WeakPolarHBondContact CA-O 3.42Å; A42-V119 HydrophobicContact CB-CB 4.3Å; A42-V119 HydrophobicContact CB-CG1 4.01Å; A42-V119 HydrophobicContact CB-CG2 3.35Å; A42-V141 HydrophobicContact CB-CB 4.34Å; A42-V141 HydrophobicContact CB-CG1 4.18Å; A42-V141 HydrophobicContact CB-CG2 4.01Å; A42-A143 PolarHBondContact N-O 3.31Å; A42-L144 HydrophobicContact CB-CB 4.25Å; A42-L144 HydrophobicContact CB-CD1 4.18Å; A42-L144 HydrophobicContact CB-CG 3.91Å; A42-L144 CarbonylContact O-C 3.51Å; A42-L144 WeakPolarHBondContact O-CA 3.43Å; A42-I145 PolarHBondContact O-N 3.02Å
43	G	98	Very high	88.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.3	173.7	0	0	0	0	0	111.8	E102 L103 Y104 I145	G43-E102 PolarHBondContact N-O 2.87Å; G43-L103 CarbonylContact O-C 3.55Å; G43-L103 WeakPolarHBondContact O-CA 3.35Å; G43-Y104 PolarHBondContact O-N 3.35Å; G43-I145 WeakPolarHBondContact CA-O 3.18Å
44	L	97.9	Very high	87.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.5	175.8	-56.8	-176.3	0	0	0	109.4	Y104 V106 A115 L144 I145 P147 T156 Y170	L44-Y104 HydrophobicContact CD2-CD2 4.1Å; L44-Y104 HydrophobicContact CD2-CG 4.4Å; L44-V106 HydrophobicContact CB-CG1 3.86Å; L44-V106 HydrophobicContact CB-CG2 3.92Å; L44-V106 HydrophobicContact CD1-CG1 4.37Å; L44-V106 HydrophobicContact CD2-CG1 3.75Å; L44-V106 HydrophobicContact CG-CG1 4.17Å; L44-A115 HydrophobicContact CD2-CB 3.53Å; L44-L144 HydrophobicContact CB-CD2 4.44Å; L44-L144 HydrophobicContact CD1-CD1 3.82Å; L44-L144 HydrophobicContact CD1-CD2 3.68Å; L44-L144 HydrophobicContact CD1-CG 4.32Å; L44-L144 HydrophobicContact CD2-CD1 4.41Å; L44-L144 HydrophobicContact CG-CD1 4Å; L44-L144 HydrophobicContact CG-CD2 3.69Å; L44-L144 HydrophobicContact CG-CG 4.19Å; L44-I145 PolarHBondContact N-O 2.91Å; L44-P147 HydrophobicContact CB-CB 4.02Å; L44-T156 HydrophobicContact CD1-CG2 3.96Å; L44-Y170 PolarHBondContact O-OH 3.44Å
45	F	97	Very high	86	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.5	-176.8	-59	-77.8	0	0	0	111.4	L47 L76 F77 M80 L103 Y104 D105 V106 Y170 V390	F45-L47 PolarHBondContact O-N 3.21Å; F45-L47 VanDerWaalsContact O-N 3.12Å; F45-L76 HydrophobicContact CD1-CB 3.68Å; F45-L76 HydrophobicContact CE1-CB 3.9Å; F45-L76 WeakPolarHBondContact CE1-O 3.49Å; F45-F77 HydrophobicContact CB-CB 4.19Å; F45-F77 HydrophobicContact CD1-CB 4.45Å; F45-F77 HydrophobicContact CD2-CB 4.13Å; F45-F77 HydrophobicContact CD2-CD2 4.03Å; F45-F77 HydrophobicContact CG-CB 3.99Å; F45-M80 HydrophobicContact CE2-CB 4.14Å; F45-M80 HydrophobicContact CE2-SD 3.63Å; F45-M80 HydrophobicContact CZ-CB 3.68Å; F45-M80 HydrophobicContact CZ-CG 4.27Å; F45-M80 HydrophobicContact CZ-SD 3.62Å; F45-L103 HydrophobicContact CE2-CD2 4.14Å; F45-Y104 PolarHBondContact N-O 3.31Å; F45-D105 CarbonylContact O-C 3.43Å; F45-D105 VanDerWaalsContact O-CA 3.23Å; F45-D105 WeakPolarHBondContact O-CA 3.19Å; F45-V106 PolarHBondContact O-N 3.22Å; F45-Y170 AromaticContact CD1-CE1 3.94Å; F45-Y170 HydrophobicContact CD1-CE1 3.94Å; F45-Y170 AromaticContact CD1-CZ 3.82Å; F45-Y170 VanDerWaalsContact CD1-OH 3.3Å; F45-Y170 WeakPolarHBondContact CD1-OH 3.39Å; F45-Y170 HydrophobicContact CE1-CD1 4.39Å; F45-Y170 AromaticContact CE1-CE1 3.57Å; F45-Y170 HydrophobicContact CE1-CE1 3.57Å; F45-Y170 AromaticContact CE1-CZ 3.9Å; F45-Y170 HydrophobicContact CZ-CE1 4.39Å; F45-V390 HydrophobicContact CE1-CG1 4.22Å; F45-V390 HydrophobicContact CE1-CG2 4.18Å; F45-V390 HydrophobicContact CZ-CG1 4.24Å
46	S	94.1	Very high	84.6	Confident	11 Å²	11	50.7 Å²	50.7	8%	0.077	28%	0.277	C	S	.	.			trans	-85	76.5	176.8	-59.5	0	0	0	0	110.5	H48 N70 D148	S46-H48 PolarHBondContact O-N 2.93Å; S46-N70 WeakPolarHBondContact O-CB 3.41Å; S46-N70 PolarHBondContact O-ND2 3.23Å; S46-D148 PolarHBondContact OG-OD1 2.86Å; S46-D148 PolarHBondContact OG-OD2 3.48Å
47	L	92.9	Very high	83.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.275	C	S	.	.			trans	-68.8	-22.6	179.7	-65.6	176.9	0	0	0	112.3	F33 F45 N70 F77 D105 C365	F33-L47 HydrophobicContact CE1-CD1 3.81Å; F33-L47 HydrophobicContact CE2-CD1 4.42Å; F33-L47 HydrophobicContact CZ-CD1 3.41Å; F33-L47 VanDerWaalsContact CZ-CD1 3.41Å; F45-L47 PolarHBondContact O-N 3.21Å; F45-L47 VanDerWaalsContact O-N 3.12Å; L47-N70 PolarHBondContact O-N 3.16Å; L47-F77 HydrophobicContact CD1-CD2 4.12Å; L47-F77 HydrophobicContact CD1-CE2 4.32Å; L47-F77 HydrophobicContact CD2-CB 3.68Å; L47-F77 HydrophobicContact CD2-CD2 4.27Å; L47-F77 HydrophobicContact CD2-CG 3.97Å; L47-D105 HydrophobicContact CD1-CB 4.46Å; L47-D105 PolarHBondContact N-OD1 2.97Å; L47-D105 VanDerWaalsContact N-OD1 3.11Å; L47-C365 HydrophobicContact CD1-CB 4.28Å
48	H	91.9	Very high	82.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-126.3	151.9	172.5	-58.7	88.5	0	0	0	111	S46 C63 D64 S68 D105 C107	S46-H48 PolarHBondContact O-N 2.93Å; H48-C63 HydrophobicContact CB-CB 4.3Å; H48-C63 WeakPolarHBondContact CB-O 3.46Å; H48-C63 VanDerWaalsContact CG-O 3.24Å; H48-D64 IonicContact CE1-OD1 3.38Å; H48-D64 IonicContact NE2-OD1 3.18Å; H48-S68 CarbonylContact C-O 3.55Å; H48-S68 WeakPolarHBondContact CA-O 3.32Å; H48-S68 WeakPolarHBondContact CB-O 3.43Å; H48-S68 PolarHBondContact CD2-OG 3.49Å; H48-D105 IonicContact CE1-OD2 3.88Å; H48-D105 IonicContact CG-OD2 3.99Å; H48-D105 IonicContact ND1-OD2 3.28Å; H48-D105 PolarHBondContact ND1-OD2 3.07Å; H48-C107 HydrophobicContact CB-CB 4.22Å; H48-C107 WeakPolarHBondContact O-CB 3.45Å
49	A	84.8	Confident	81.5	Confident	43 Å²	43	61 Å²	61	36%	0.355	31%	0.313	S	S	.	.			trans	-67.3	160.5	176.5	0	0	0	0	0	112.3	R65 S68	A49-R65 PolarHBondContact O-NH2 3.35Å; A49-S68 PolarHBondContact N-O 3.04Å
50	D	76.4	Confident	80.8	Confident	55 Å²	55	62.6 Å²	62.6	29%	0.294	32%	0.324	S	S	.	.			trans	-67.3	146.9	-177.3	-161.6	0.8	0	0	0	113.8	L52 C107	D50-L52 PolarHBondContact O-N 2.86Å; D50-C107 WeakPolarHBondContact CA-O 3.42Å
51	C	69.8	Low	80.2	Confident	36 Å²	36	61.7 Å²	61.7	24%	0.243	32%	0.319	C	S	.	.			trans	-87.4	95.5	174.7	178.3	0	0	0	0	110.2	Q53 T61	C51-Q53 PolarHBondContact O-N 2.91Å; C51-Q53 VanDerWaalsContact O-N 3.12Å; C51-T61 HydrophobicContact CB-CG2 4.41Å
52	L	63.2	Low	79.4	Confident	85 Å²	85	64.6 Å²	64.6	45%	0.445	34%	0.34	S	S	.	.			trans	-68.1	-7.3	179.6	-70.2	178.9	0	0	0	115.8	D50 L248 H279	D50-L52 PolarHBondContact O-N 2.86Å; L52-L248 HydrophobicContact CD2-CD1 3.82Å; L52-L248 HydrophobicContact CD2-CG 3.88Å; L52-H279 WeakPolarHBondContact CD1-NE2 3.35Å; L52-H279 WeakPolarHBondContact CD2-NE2 3.31Å
53	Q	63.4	Low	78.9	Confident	164 Å²	164	64.6 Å²	64.6	77%	0.766	34%	0.34	S	S	*	.	S	Bend	trans	-74.4	132.7	-178.3	-66.5	-158.9	-5.3	0	0	112.6	C51 R55	C51-Q53 PolarHBondContact O-N 2.91Å; C51-Q53 VanDerWaalsContact O-N 3.12Å; Q53-R55 PolarHBondContact O-N 3.4Å
54	V	56.6	Low	78.2	Confident	126 Å²	126	66 Å²	66	76%	0.764	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-60.9	123.6	175.4	-179.9	0	0	0	0	109.7
55	R	61.9	Low	77.5	Confident	102 Å²	102	69.1 Å²	69.1	39%	0.385	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-86.1	141.6	-179	-70.2	-163.5	174.7	156.9	20.5	113.1	Q53 L59 T61 S110	Q53-R55 PolarHBondContact O-N 3.4Å; R55-L59 PolarHBondContact NH1-O 3.49Å; R55-T61 PolarHBondContact NH1-OG1 2.94Å; R55-T61 VanDerWaalsContact NH2-CB 3.25Å; R55-T61 PolarHBondContact NH2-OG1 3.49Å; R55-S110 PolarHBondContact NH1-OG 3.5Å
56	H	63.2	Low	76.6	Confident	179 Å²	179	74.4 Å²	74.4	83%	0.829	40%	0.395	S	S	*	.	S	Bend	trans	-101.5	-3.1	172.8	-58.7	-58.5	0	0	0	113.5
57	R	68.2	Low	76	Confident	185 Å²	185	81.9 Å²	81.9	70%	0.698	44%	0.435	S	S	*	.	S	Bend	trans	-140	144	-177.9	-63.7	-173.6	-179.3	-171.6	0.5	112.1	L59	R57-L59 HydrophobicContact CB-CD1 4.12Å; R57-L59 HydrophobicContact CB-CG 4.21Å; R57-L59 PolarHBondContact O-N 3.36Å
58	P	71.8	Confident	75.7	Confident	141 Å²	141	82.5 Å²	82.5	92%	0.916	44%	0.439	S	S	*	.			trans	-80.5	62.3	178.3	35.3	-36.4	0	0	0	111.2
59	L	75.7	Confident	75.6	Confident	114 Å²	114	84.6 Å²	84.6	60%	0.597	45%	0.448	S	S	*	.			trans	-110.3	147.2	178.2	-66.9	169.7	0	0	0	110.4	R55 R57	R55-L59 PolarHBondContact NH1-O 3.49Å; R57-L59 HydrophobicContact CB-CD1 4.12Å; R57-L59 HydrophobicContact CB-CG 4.21Å; R57-L59 PolarHBondContact O-N 3.36Å
60	V	81	Confident	75.9	Confident	52 Å²	52	84.2 Å²	84.2	32%	0.315	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-62.2	138.8	172.7	-177.6	0	0	0	0	109.4	S62 Y114	V60-S62 PolarHBondContact O-N 2.93Å; V60-Y114 HydrophobicContact CG1-CD1 4.39Å; V60-Y114 HydrophobicContact CG1-CD2 4.44Å; V60-Y114 HydrophobicContact CG1-CG 3.97Å; V60-Y114 HydrophobicContact CG2-CD2 3.76Å; V60-Y114 HydrophobicContact CG2-CG 3.99Å
61	T	81.9	Confident	76.7	Confident	2 Å²	2	82.3 Å²	82.3	1%	0.012	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-63.2	130.6	176.8	-49.6	0	0	0	0	111.5	C51 R55 C107 S108 S110	C51-T61 HydrophobicContact CB-CG2 4.41Å; R55-T61 PolarHBondContact NH1-OG1 2.94Å; R55-T61 VanDerWaalsContact NH2-CB 3.25Å; R55-T61 PolarHBondContact NH2-OG1 3.49Å; T61-C107 WeakPolarHBondContact CG2-SG 3.45Å; T61-S108 VanDerWaalsContact CB-OG 3.23Å; T61-S108 WeakPolarHBondContact CB-OG 3.35Å; T61-S108 WeakPolarHBondContact OG1-CB 3.25Å; T61-S108 PolarHBondContact OG1-OG 3.28Å; T61-S110 PolarHBondContact N-OG 3.3Å; T61-S110 VanDerWaalsContact N-OG 3.08Å; T61-S110 PolarHBondContact OG1-OG 3.45Å
62	S	80.6	Confident	77.9	Confident	62 Å²	62	81.1 Å²	81.1	43%	0.434	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-79.9	118.2	158.4	-167.1	0	0	0	0	108.4	V60 R65	V60-S62 PolarHBondContact O-N 2.93Å; S62-R65 WeakPolarHBondContact O-CG 3.28Å; S62-R65 PolarHBondContact O-NH1 3.35Å
63	C	86.2	Confident	79.4	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.404	C	S	.	.			trans	-85.6	-38.3	-175	-65.5	0	0	0	0	113.1	H48 R65 D105 C107 T361	H48-C63 HydrophobicContact CB-CB 4.3Å; H48-C63 WeakPolarHBondContact CB-O 3.46Å; H48-C63 VanDerWaalsContact CG-O 3.24Å; C63-R65 VanDerWaalsContact C-N 3.32Å; C63-R65 PolarHBondContact O-N 2.8Å; C63-D105 HydrophobicContact CB-CB 4.15Å; C63-D105 VanDerWaalsContact CB-CG 3.44Å; C63-D105 WeakPolarHBondContact CB-OD2 3.39Å; C63-C107 WeakPolarHBondContact CA-SG 3.45Å; C63-C107 HydrophobicContact CB-CB 3.72Å; C63-C107 WeakPolarHBondContact CB-SG 3.31Å; C63-C107 WeakPolarHBondContact SG-CB 3.49Å; C63-C107 CovalentContact SG-SG 2.04Å; C63-C107 PolarHBondContact SG-SG 3.24Å; C63-T361 PolarHBondContact N-O 3.47Å
64	D	83.8	Confident	80.9	Confident	28 Å²	28	69.3 Å²	69.3	15%	0.15	37%	0.367	C	S	.	.			trans	-64.8	85.2	176.3	-171	57.1	0	0	0	110.7	H48 L364 R366	H48-D64 IonicContact CE1-OD1 3.38Å; H48-D64 IonicContact NE2-OD1 3.18Å; D64-L364 HydrophobicContact CB-CB 4.35Å; D64-L364 HydrophobicContact CB-CD2 4.09Å; D64-L364 HydrophobicContact CB-CG 4.14Å; D64-L364 WeakPolarHBondContact OD2-CD2 3.34Å; D64-R366 PolarHBondContact OD1-N 3.34Å; D64-R366 WeakPolarHBondContact OD2-CD 3.49Å; D64-R366 VanDerWaalsContact OD2-CG 3.28Å; D64-R366 WeakPolarHBondContact OD2-CG 3.47Å; D64-R366 IonicContact OD2-NE 3.33Å; D64-R366 PolarHBondContact OD2-NE 3.24Å
65	R	83	Confident	82.7	Confident	67 Å²	67	63.4 Å²	63.4	25%	0.253	33%	0.331	S	S	.	.			trans	-126.6	148.1	179.8	-56.7	-179.3	-59.6	-100.5	1.4	109.3	A49 S62 C63 S68	A49-R65 PolarHBondContact O-NH2 3.35Å; S62-R65 WeakPolarHBondContact O-CG 3.28Å; S62-R65 PolarHBondContact O-NH1 3.35Å; C63-R65 VanDerWaalsContact C-N 3.32Å; C63-R65 PolarHBondContact O-N 2.8Å; R65-S68 PolarHBondContact O-N 2.9Å; R65-S68 PolarHBondContact O-OG 3.07Å
66	S	78.7	Confident	84.4	Confident	110 Å²	110	58.6 Å²	58.6	77%	0.769	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	141.2	175.2	-53.6	0	0	0	0	112.1	S68	S66-S68 PolarHBondContact O-N 2.9Å
67	D	80.1	Confident	86	Confident	169 Å²	169	50.2 Å²	50.2	90%	0.904	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	27.9	176.4	-52.3	-44.2	0	0	0	114.4
68	S	87	Confident	87.4	Confident	12 Å²	12	41.4 Å²	41.4	8%	0.084	24%	0.241	C	C	.	.			trans	-118.7	-1.7	-179.7	72.7	0	0	0	0	114.2	H48 A49 R65 S66 N70	H48-S68 CarbonylContact C-O 3.55Å; H48-S68 WeakPolarHBondContact CA-O 3.32Å; H48-S68 WeakPolarHBondContact CB-O 3.43Å; H48-S68 PolarHBondContact CD2-OG 3.49Å; A49-S68 PolarHBondContact N-O 3.04Å; R65-S68 PolarHBondContact O-N 2.9Å; R65-S68 PolarHBondContact O-OG 3.07Å; S66-S68 PolarHBondContact O-N 2.9Å; S68-N70 PolarHBondContact O-N 3.1Å
69	F	90.6	Very high	88.6	Confident	44 Å²	44	34.7 Å²	34.7	19%	0.193	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-58.1	136.5	-179.8	177.4	-101.5	0	0	0	112.6	G71 Y74 E367 F371 P377	F69-G71 VanDerWaalsContact CE1-CA 3.43Å; F69-Y74 HydrophobicContact CE2-CD2 4.4Å; F69-Y74 HydrophobicContact CE2-CG 4.38Å; F69-Y74 HydrophobicContact CZ-CD2 4.3Å; F69-Y74 AromaticContact CZ-CG 3.93Å; F69-Y74 HydrophobicContact CZ-CG 3.93Å; F69-E367 WeakPolarHBondContact CB-OE2 3.43Å; F69-E367 HydrophobicContact CD2-CB 4.27Å; F69-E367 HydrophobicContact CG-CB 4.46Å; F69-F371 HydrophobicContact CD1-CZ 4.1Å; F69-F371 HydrophobicContact CD2-CZ 4.37Å; F69-F371 HydrophobicContact CE1-CE1 4.43Å; F69-F371 HydrophobicContact CE1-CE2 4.13Å; F69-F371 AromaticContact CE1-CZ 3.49Å; F69-F371 HydrophobicContact CE1-CZ 3.49Å; F69-F371 VanDerWaalsContact CE1-CZ 3.49Å; F69-F371 AromaticContact CE2-CE2 3.99Å; F69-F371 HydrophobicContact CE2-CE2 3.99Å; F69-F371 AromaticContact CE2-CZ 3.81Å; F69-F371 HydrophobicContact CE2-CZ 3.81Å; F69-F371 AromaticContact CZ-CE2 3.54Å; F69-F371 HydrophobicContact CZ-CE2 3.54Å; F69-F371 AromaticContact CZ-CZ 3.33Å; F69-F371 HydrophobicContact CZ-CZ 3.33Å; F69-P377 HydrophobicContact CE1-CB 4.22Å; F69-P377 HydrophobicContact CE1-CG 3.92Å; F69-P377 HydrophobicContact CZ-CG 4.06Å
70	N	91.8	Very high	89.7	Confident	36 Å²	36	29.3 Å²	29.3	19%	0.193	17%	0.169	C	C	.	.			trans	-116.4	98.3	179.2	178	15.6	0	0	0	109.6	S46 L47 S68 H72 G73 Y74	S46-N70 WeakPolarHBondContact O-CB 3.41Å; S46-N70 PolarHBondContact O-ND2 3.23Å; L47-N70 PolarHBondContact O-N 3.16Å; S68-N70 PolarHBondContact O-N 3.1Å; N70-H72 PolarHBondContact O-N 3.41Å; N70-H72 PolarHBondContact OD1-N 3.45Å; N70-G73 PolarHBondContact O-N 2.84Å; N70-G73 VanDerWaalsContact O-N 3.08Å; N70-Y74 PolarHBondContact O-N 3.27Å; N70-Y74 VanDerWaalsContact O-N 3.16Å
71	G	92.5	Very high	90.5	Very high	15 Å²	15	27.4 Å²	27.4	16%	0.155	16%	0.156	C	C	.	.	H	α-helix	trans	-57.8	-33.3	-178.8	0	0	0	0	0	113.8	F69 Y74 H75	F69-G71 VanDerWaalsContact CE1-CA 3.43Å; G71-Y74 WeakPolarHBondContact O-CB 3.34Å; G71-Y74 PolarHBondContact O-N 3.17Å; G71-H75 PolarHBondContact O-CD2 3.47Å; G71-H75 PolarHBondContact O-N 3.27Å; G71-H75 VanDerWaalsContact O-N 3.15Å
72	H	93.9	Very high	91.2	Very high	11 Å²	11	28.4 Å²	28.4	5%	0.051	16%	0.161	C	C	.	.	H	α-helix	trans	-63.4	-48.3	174.9	168.9	90.9	0	0	0	112.1	N70 Y74 H75 L76 E171 R278 F382 S383	N70-H72 PolarHBondContact O-N 3.41Å; N70-H72 PolarHBondContact OD1-N 3.45Å; H72-Y74 PolarHBondContact O-N 2.98Å; H72-H75 PolarHBondContact O-N 3.38Å; H72-H75 VanDerWaalsContact O-N 3.11Å; H72-L76 WeakPolarHBondContact NE2-CD1 3.49Å; H72-L76 WeakPolarHBondContact O-CG 3.24Å; H72-L76 PolarHBondContact O-N 2.93Å; H72-E171 IonicContact CE1-OE1 3.05Å; H72-E171 PolarHBondContact CE1-OE1 3.36Å; H72-E171 VanDerWaalsContact CE1-OE1 3.28Å; H72-E171 IonicContact CE1-OE2 3.38Å; H72-E171 IonicContact NE2-OE1 3.12Å; H72-E171 PolarHBondContact NE2-OE1 3.3Å; H72-E171 IonicContact NE2-OE2 3.41Å; H72-E171 PolarHBondContact NE2-OE2 3.34Å; H72-R278 VanDerWaalsContact CD2-CZ 3.48Å; H72-R278 PolarHBondContact CD2-NH1 3.46Å; H72-R278 PolarHBondContact CD2-NH2 3.08Å; H72-R278 PolarHBondContact NE2-NH1 2.67Å; H72-R278 PolarHBondContact NE2-NH2 3.23Å; H72-F382 AromaticContact CE1-CD1 3.75Å; H72-F382 AromaticContact CE1-CE1 3.23Å; H72-F382 WeakPolarHBondContact CE1-CE1 3.47Å; H72-F382 AromaticContact ND1-CD1 3.53Å; H72-F382 AromaticContact ND1-CE1 3.4Å; H72-F382 WeakPolarHBondContact ND1-CE1 3.3Å; H72-F382 AromaticContact NE2-CE1 3.97Å; H72-S383 PolarHBondContact ND1-OG 2.91Å
73	G	95	Very high	92.1	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-33.7	177.3	0	0	0	0	0	112.3	N70 L76 F77	N70-G73 PolarHBondContact O-N 2.84Å; N70-G73 VanDerWaalsContact O-N 3.08Å; G73-L76 PolarHBondContact O-N 3.14Å; G73-F77 WeakPolarHBondContact O-CB 3.36Å; G73-F77 PolarHBondContact O-N 3.26Å
74	Y	94.6	Very high	92.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.8	-46.7	173.4	172.9	-95.6	0	0	0	112.7	F69 N70 G71 H72 L76 F77 Q78 C368 F371 P377	F69-Y74 HydrophobicContact CE2-CD2 4.4Å; F69-Y74 HydrophobicContact CE2-CG 4.38Å; F69-Y74 HydrophobicContact CZ-CD2 4.3Å; F69-Y74 AromaticContact CZ-CG 3.93Å; F69-Y74 HydrophobicContact CZ-CG 3.93Å; N70-Y74 PolarHBondContact O-N 3.27Å; N70-Y74 VanDerWaalsContact O-N 3.16Å; G71-Y74 WeakPolarHBondContact O-CB 3.34Å; G71-Y74 PolarHBondContact O-N 3.17Å; H72-Y74 PolarHBondContact O-N 2.98Å; Y74-L76 VanDerWaalsContact C-N 3.31Å; Y74-L76 PolarHBondContact O-N 3.02Å; Y74-F77 WeakPolarHBondContact O-CB 3.4Å; Y74-F77 PolarHBondContact O-N 3.26Å; Y74-Q78 HydrophobicContact CD1-CG 4.26Å; Y74-Q78 HydrophobicContact CD2-CG 4.36Å; Y74-Q78 HydrophobicContact CE1-CG 3.85Å; Y74-Q78 HydrophobicContact CE2-CG 3.97Å; Y74-Q78 VanDerWaalsContact CZ-NE2 3.25Å; Y74-Q78 VanDerWaalsContact O-CG 3.32Å; Y74-Q78 WeakPolarHBondContact O-CG 3.47Å; Y74-Q78 PolarHBondContact O-N 2.98Å; Y74-Q78 PolarHBondContact OH-NE2 3.27Å; Y74-C368 HydrophobicContact CD2-CB 4.43Å; Y74-C368 HydrophobicContact CE2-CB 4.18Å; Y74-F371 HydrophobicContact CD2-CE2 4.37Å; Y74-F371 HydrophobicContact CE2-CD2 4.4Å; Y74-F371 HydrophobicContact CE2-CE2 4.24Å; Y74-P377 HydrophobicContact CD1-CG 3.78Å; Y74-P377 HydrophobicContact CE1-CG 4.28Å; Y74-P377 HydrophobicContact CG-CG 4.47Å
75	H	96.2	Very high	93.3	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-37.5	177.6	-63.2	-55.2	0	0	0	112.5	G71 H72 Q78 A79 E339 P377 E378 L379	G71-H75 PolarHBondContact O-CD2 3.47Å; G71-H75 PolarHBondContact O-N 3.27Å; G71-H75 VanDerWaalsContact O-N 3.15Å; H72-H75 PolarHBondContact O-N 3.38Å; H72-H75 VanDerWaalsContact O-N 3.11Å; H75-Q78 PolarHBondContact O-N 2.95Å; H75-A79 WeakPolarHBondContact O-CB 3.21Å; H75-A79 PolarHBondContact O-N 3.38Å; H75-E339 IonicContact CE1-OE1 2.52Å; H75-E339 IonicContact CE1-OE2 2.69Å; H75-E339 PolarHBondContact CE1-OE2 3.46Å; H75-E339 IonicContact CG-OE1 2.82Å; H75-E339 VanDerWaalsContact ND1-CD 3.35Å; H75-E339 IonicContact ND1-OE1 2.75Å; H75-E339 PolarHBondContact ND1-OE1 2.82Å; H75-E339 IonicContact ND1-OE2 3.67Å; H75-E339 PolarHBondContact ND1-OE2 2.75Å; H75-P377 PolarHBondContact CE1-O 3.28Å; H75-P377 VanDerWaalsContact CE1-O 3.29Å; H75-P377 PolarHBondContact NE2-O 3.23Å; H75-E378 PolarHBondContact NE2-O 3.09Å; H75-L379 HydrophobicContact CB-CD1 3.85Å
76	L	97.5	Very high	94	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-67.1	-41.5	175.9	-59.3	-163.6	0	0	0	112.2	F45 H72 G73 Y74 Q78 A79 M80 Y170 A386 A387 V390	F45-L76 HydrophobicContact CD1-CB 3.68Å; F45-L76 HydrophobicContact CE1-CB 3.9Å; F45-L76 WeakPolarHBondContact CE1-O 3.49Å; H72-L76 WeakPolarHBondContact NE2-CD1 3.49Å; H72-L76 WeakPolarHBondContact O-CG 3.24Å; H72-L76 PolarHBondContact O-N 2.93Å; G73-L76 PolarHBondContact O-N 3.14Å; Y74-L76 VanDerWaalsContact C-N 3.31Å; Y74-L76 PolarHBondContact O-N 3.02Å; L76-Q78 VanDerWaalsContact C-N 3.34Å; L76-A79 WeakPolarHBondContact O-CB 3.43Å; L76-A79 PolarHBondContact O-N 2.94Å; L76-M80 PolarHBondContact O-N 2.94Å; L76-Y170 HydrophobicContact CD1-CD2 3.7Å; L76-Y170 HydrophobicContact CD1-CE2 3.17Å; L76-Y170 HydrophobicContact CG-CE2 4.48Å; L76-A386 HydrophobicContact CD2-CB 3.7Å; L76-A387 VanDerWaalsContact CD2-CA 3.49Å; L76-A387 HydrophobicContact CD2-CB 4.03Å; L76-V390 HydrophobicContact CB-CG2 4.03Å; L76-V390 HydrophobicContact CD1-CG2 4.47Å; L76-V390 HydrophobicContact CD2-CG2 4.04Å; L76-V390 HydrophobicContact CG-CG2 4.42Å
77	F	96.9	Very high	94.9	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.018	12%	0.116	C	C	.	.	H	α-helix	trans	-58.7	-46	172.7	170	-85.9	0	0	0	111.3	F33 F45 L47 G73 Y74 M80 R81 L103	F33-F77 AromaticContact CD1-CE2 3.95Å; F33-F77 HydrophobicContact CD1-CE2 3.95Å; F33-F77 HydrophobicContact CD2-CE2 4.39Å; F33-F77 HydrophobicContact CD2-CZ 4.16Å; F33-F77 AromaticContact CE1-CE2 3.93Å; F33-F77 HydrophobicContact CE1-CE2 3.93Å; F33-F77 HydrophobicContact CE2-CE2 4.36Å; F33-F77 HydrophobicContact CE2-CZ 4.2Å; F33-F77 HydrophobicContact CG-CE2 4.22Å; F33-F77 HydrophobicContact CG-CZ 4.34Å; F33-F77 HydrophobicContact CZ-CE2 4.16Å; F33-F77 HydrophobicContact CZ-CZ 4.44Å; F45-F77 HydrophobicContact CB-CB 4.19Å; F45-F77 HydrophobicContact CD1-CB 4.45Å; F45-F77 HydrophobicContact CD2-CB 4.13Å; F45-F77 HydrophobicContact CD2-CD2 4.03Å; F45-F77 HydrophobicContact CG-CB 3.99Å; L47-F77 HydrophobicContact CD1-CD2 4.12Å; L47-F77 HydrophobicContact CD1-CE2 4.32Å; L47-F77 HydrophobicContact CD2-CB 3.68Å; L47-F77 HydrophobicContact CD2-CD2 4.27Å; L47-F77 HydrophobicContact CD2-CG 3.97Å; G73-F77 WeakPolarHBondContact O-CB 3.36Å; G73-F77 PolarHBondContact O-N 3.26Å; Y74-F77 WeakPolarHBondContact O-CB 3.4Å; Y74-F77 PolarHBondContact O-N 3.26Å; F77-M80 PolarHBondContact O-N 3.3Å; F77-R81 HydrophobicContact CE1-CG 4.44Å; F77-R81 WeakPolarHBondContact O-CG 3.42Å; F77-R81 PolarHBondContact O-N 3.13Å; F77-L103 HydrophobicContact CD2-CB 4.07Å; F77-L103 HydrophobicContact CD2-CD1 3.61Å; F77-L103 HydrophobicContact CD2-CG 4.46Å; F77-L103 HydrophobicContact CE1-CD1 4.46Å; F77-L103 HydrophobicContact CE2-CB 3.65Å; F77-L103 HydrophobicContact CE2-CD1 3.29Å; F77-L103 HydrophobicContact CE2-CG 4.07Å; F77-L103 HydrophobicContact CG-CD1 4.34Å; F77-L103 HydrophobicContact CZ-CD1 3.75Å
78	Q	96.3	Very high	95.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.8	-35.7	177.7	-66	-66.9	8	0	0	112.4	Y74 H75 L76 M80 R81 F82 L335 E339	Y74-Q78 HydrophobicContact CD1-CG 4.26Å; Y74-Q78 HydrophobicContact CD2-CG 4.36Å; Y74-Q78 HydrophobicContact CE1-CG 3.85Å; Y74-Q78 HydrophobicContact CE2-CG 3.97Å; Y74-Q78 VanDerWaalsContact CZ-NE2 3.25Å; Y74-Q78 VanDerWaalsContact O-CG 3.32Å; Y74-Q78 WeakPolarHBondContact O-CG 3.47Å; Y74-Q78 PolarHBondContact O-N 2.98Å; Y74-Q78 PolarHBondContact OH-NE2 3.27Å; H75-Q78 PolarHBondContact O-N 2.95Å; L76-Q78 VanDerWaalsContact C-N 3.34Å; Q78-M80 VanDerWaalsContact C-N 3.32Å; Q78-M80 PolarHBondContact O-N 3.4Å; Q78-R81 WeakPolarHBondContact O-CB 3.44Å; Q78-R81 PolarHBondContact O-N 3.18Å; Q78-R81 VanDerWaalsContact O-N 3.15Å; Q78-F82 WeakPolarHBondContact O-CB 3.24Å; Q78-F82 PolarHBondContact O-N 2.82Å; Q78-L335 HydrophobicContact CB-CD1 4.47Å; Q78-E339 HydrophobicContact CB-CG 3.82Å; Q78-E339 WeakPolarHBondContact CB-OE1 3.26Å; Q78-E339 HydrophobicContact CG-CG 3.93Å
79	A	98.2	Very high	96.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.4	-43.6	175.7	0	0	0	0	0	111.8	H75 L76 R81 T83 L335 A387 V390	H75-A79 WeakPolarHBondContact O-CB 3.21Å; H75-A79 PolarHBondContact O-N 3.38Å; L76-A79 WeakPolarHBondContact O-CB 3.43Å; L76-A79 PolarHBondContact O-N 2.94Å; A79-R81 PolarHBondContact O-N 3.24Å; A79-T83 WeakPolarHBondContact O-CB 3.39Å; A79-T83 PolarHBondContact O-N 3.43Å; A79-T83 PolarHBondContact O-OG1 2.75Å; A79-L335 HydrophobicContact CB-CD1 4.34Å; A79-L335 HydrophobicContact CB-CD2 4.21Å; A79-A387 HydrophobicContact CB-CB 3.69Å; A79-V390 HydrophobicContact CB-CB 4.17Å; A79-V390 HydrophobicContact CB-CG1 4.23Å
80	M	98.2	Very high	96.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.6	-42.7	175.7	-178.6	166.6	-179.2	0	0	112	L41 F45 L76 F77 Q78 T83 V84 L103 I145 V390 V394	L41-M80 HydrophobicContact CB-CE 3.65Å; L41-M80 HydrophobicContact CD1-CE 4.45Å; F45-M80 HydrophobicContact CE2-CB 4.14Å; F45-M80 HydrophobicContact CE2-SD 3.63Å; F45-M80 HydrophobicContact CZ-CB 3.68Å; F45-M80 HydrophobicContact CZ-CG 4.27Å; F45-M80 HydrophobicContact CZ-SD 3.62Å; L76-M80 PolarHBondContact O-N 2.94Å; F77-M80 PolarHBondContact O-N 3.3Å; Q78-M80 VanDerWaalsContact C-N 3.32Å; Q78-M80 PolarHBondContact O-N 3.4Å; M80-T83 PolarHBondContact O-N 3.16Å; M80-V84 WeakPolarHBondContact O-CG2 2.84Å; M80-V84 PolarHBondContact O-N 3.07Å; M80-L103 HydrophobicContact CE-CD2 3.85Å; M80-L103 HydrophobicContact CG-CD2 4.3Å; M80-L103 HydrophobicContact SD-CD2 3.52Å; M80-L103 VanDerWaalsContact SD-CD2 3.52Å; M80-I145 HydrophobicContact CE-CB 4.36Å; M80-I145 HydrophobicContact CE-CG1 4.02Å; M80-I145 HydrophobicContact SD-CB 4.11Å; M80-I145 HydrophobicContact SD-CG1 4.31Å; M80-V390 HydrophobicContact CB-CG1 3.79Å; M80-V394 HydrophobicContact CB-CG2 4.5Å; M80-V394 HydrophobicContact CG-CG2 3.96Å
81	R	97	Very high	96.4	Very high	13 Å²	13	27.5 Å²	27.5	5%	0.049	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-50.9	178.7	-65	179.4	56.1	-149.9	-4.3	111.6	F77 Q78 A79 T83 V84 E85 Y101 L103 F338 Y342	F77-R81 HydrophobicContact CE1-CG 4.44Å; F77-R81 WeakPolarHBondContact O-CG 3.42Å; F77-R81 PolarHBondContact O-N 3.13Å; Q78-R81 WeakPolarHBondContact O-CB 3.44Å; Q78-R81 PolarHBondContact O-N 3.18Å; Q78-R81 VanDerWaalsContact O-N 3.15Å; A79-R81 PolarHBondContact O-N 3.24Å; R81-T83 VanDerWaalsContact C-N 3.3Å; R81-T83 PolarHBondContact O-N 3.18Å; R81-V84 PolarHBondContact O-N 2.73Å; R81-E85 PolarHBondContact O-N 3.43Å; R81-Y101 HydrophobicContact CB-CE1 4.34Å; R81-Y101 HydrophobicContact CG-CE1 4.08Å; R81-Y101 HydrophobicContact CG-CE2 4.36Å; R81-Y101 WeakPolarHBondContact CG-OH 3.37Å; R81-Y101 PolarHBondContact NE-OH 3.22Å; R81-L103 HydrophobicContact CG-CD1 3.79Å; R81-F338 HydrophobicContact CB-CE1 4.07Å; R81-F338 HydrophobicContact CB-CZ 4.03Å; R81-Y342 VanDerWaalsContact NH1-CE2 3.26Å; R81-Y342 VanDerWaalsContact NH2-CD2 3.26Å
82	F	98	Very high	96.5	Very high	23 Å²	23	30.4 Å²	30.4	10%	0.101	17%	0.174	C	C	.	.	H	α-helix	trans	-53.2	-48.6	175.4	172	-104.2	0	0	0	111.2	Q78 V84 E85 E86 V332 P333 L335 F338 Y391	Q78-F82 WeakPolarHBondContact O-CB 3.24Å; Q78-F82 PolarHBondContact O-N 2.82Å; F82-V84 PolarHBondContact O-N 2.85Å; F82-E85 PolarHBondContact O-N 2.87Å; F82-E86 WeakPolarHBondContact O-CB 3.39Å; F82-E86 PolarHBondContact O-N 2.93Å; F82-V332 HydrophobicContact CD1-CG1 3.72Å; F82-V332 HydrophobicContact CE1-CG1 3.5Å; F82-P333 WeakPolarHBondContact CZ-O 3.16Å; F82-L335 HydrophobicContact CB-CD1 3.94Å; F82-L335 HydrophobicContact CD1-CD1 4.46Å; F82-L335 HydrophobicContact CG-CD1 4.21Å; F82-F338 HydrophobicContact CB-CD1 3.74Å; F82-F338 HydrophobicContact CB-CD2 4.41Å; F82-F338 HydrophobicContact CB-CE1 3.94Å; F82-F338 HydrophobicContact CB-CG 3.98Å; F82-F338 HydrophobicContact CB-CZ 4.37Å; F82-F338 HydrophobicContact CD2-CB 3.58Å; F82-F338 HydrophobicContact CD2-CD1 4.27Å; F82-F338 AromaticContact CD2-CD2 3.85Å; F82-F338 HydrophobicContact CD2-CD2 3.85Å; F82-F338 AromaticContact CD2-CG 3.64Å; F82-F338 HydrophobicContact CD2-CG 3.64Å; F82-F338 HydrophobicContact CE2-CB 4.22Å; F82-F338 HydrophobicContact CG-CB 4.38Å; F82-F338 HydrophobicContact CG-CD1 4.44Å; F82-F338 HydrophobicContact CG-CG 4.25Å; F82-Y391 HydrophobicContact CD1-CD2 4.34Å; F82-Y391 HydrophobicContact CD1-CE2 4.26Å; F82-Y391 HydrophobicContact CE1-CD2 4.39Å; F82-Y391 AromaticContact CE1-CE2 3.93Å; F82-Y391 HydrophobicContact CE1-CE2 3.93Å
83	T	98.5	Very high	96.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-41.6	-178.1	-47	0	0	0	0	112.1	A79 M80 R81 E86 I87 Y391 V394 Y395	A79-T83 WeakPolarHBondContact O-CB 3.39Å; A79-T83 PolarHBondContact O-N 3.43Å; A79-T83 PolarHBondContact O-OG1 2.75Å; M80-T83 PolarHBondContact O-N 3.16Å; R81-T83 VanDerWaalsContact C-N 3.3Å; R81-T83 PolarHBondContact O-N 3.18Å; T83-E86 PolarHBondContact O-N 2.95Å; T83-I87 HydrophobicContact CG2-CD1 3.88Å; T83-I87 HydrophobicContact CG2-CG1 4.49Å; T83-I87 VanDerWaalsContact O-CG1 3.25Å; T83-I87 WeakPolarHBondContact O-CG1 3.25Å; T83-I87 PolarHBondContact O-N 3.49Å; T83-Y391 HydrophobicContact CG2-CD2 3.7Å; T83-Y391 HydrophobicContact CG2-CE2 3.94Å; T83-Y391 HydrophobicContact CG2-CG 4.36Å; T83-Y391 WeakPolarHBondContact OG1-CD2 3.25Å; T83-V394 HydrophobicContact CG2-CB 3.68Å; T83-V394 HydrophobicContact CG2-CG1 3.59Å; T83-V394 HydrophobicContact CG2-CG2 4.5Å; T83-Y395 HydrophobicContact CG2-CD2 3.51Å; T83-Y395 HydrophobicContact CG2-CE2 3.57Å
84	V	98.4	Very high	96.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.9	-42.4	178.4	167.7	0	0	0	0	111.3	L35 M80 R81 F82 I87 N88 L99 Y101 V394	L35-V84 HydrophobicContact CD2-CG1 3.85Å; M80-V84 WeakPolarHBondContact O-CG2 2.84Å; M80-V84 PolarHBondContact O-N 3.07Å; R81-V84 PolarHBondContact O-N 2.73Å; F82-V84 PolarHBondContact O-N 2.85Å; V84-I87 PolarHBondContact O-N 2.91Å; V84-N88 WeakPolarHBondContact O-CB 3.49Å; V84-N88 VanDerWaalsContact O-CG 3.22Å; V84-N88 PolarHBondContact O-N 3.1Å; V84-N88 PolarHBondContact O-ND2 3.4Å; V84-L99 HydrophobicContact CG1-CB 3.99Å; V84-L99 VanDerWaalsContact CG1-O 3.28Å; V84-L99 WeakPolarHBondContact CG1-O 3.48Å; V84-Y101 HydrophobicContact CB-CD1 4.01Å; V84-Y101 HydrophobicContact CB-CE1 4.36Å; V84-Y101 HydrophobicContact CG1-CD1 3.9Å; V84-Y101 HydrophobicContact CG1-CE1 4.29Å; V84-Y101 HydrophobicContact CG2-CD1 4.05Å; V84-V394 HydrophobicContact CG2-CG1 4.08Å
85	E	96.8	Very high	96.6	Very high	85 Å²	85	31.3 Å²	31.3	40%	0.397	18%	0.18	S	C	.	.	H	α-helix	trans	-63.8	-41.8	175.7	-71.7	-173.9	-151	0	0	112	R81 F82 N88 N89 F338	R81-E85 PolarHBondContact O-N 3.43Å; F82-E85 PolarHBondContact O-N 2.87Å; E85-N88 PolarHBondContact O-N 2.85Å; E85-N89 PolarHBondContact O-N 3.25Å; E85-N89 VanDerWaalsContact O-N 3.08Å; E85-F338 WeakPolarHBondContact OE2-CE2 3.31Å
86	E	97.4	Very high	96.5	Very high	58 Å²	58	37.5 Å²	37.5	27%	0.271	21%	0.213	S	C	.	.	H	α-helix	trans	-60.9	-45.7	176.3	-173.3	-176.8	71.1	0	0	112	F82 T83 N89 S90 Y391 Y395	F82-E86 WeakPolarHBondContact O-CB 3.39Å; F82-E86 PolarHBondContact O-N 2.93Å; T83-E86 PolarHBondContact O-N 2.95Å; E86-N89 PolarHBondContact O-N 3.04Å; E86-S90 PolarHBondContact O-N 2.84Å; E86-Y391 VanDerWaalsContact OE1-CE2 3.23Å; E86-Y391 WeakPolarHBondContact OE1-CE2 3.22Å; E86-Y391 VanDerWaalsContact OE1-CZ 3.26Å; E86-Y391 PolarHBondContact OE1-OH 3.33Å; E86-Y395 WeakPolarHBondContact OE1-CE2 3.45Å; E86-Y395 PolarHBondContact OE1-OH 3.48Å
87	I	97.9	Very high	96.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-41.7	178.1	-67.8	167.4	0	0	0	111	T83 V84 N89 S90 L93 L94 L99 V394 Y395 A398	T83-I87 HydrophobicContact CG2-CD1 3.88Å; T83-I87 HydrophobicContact CG2-CG1 4.49Å; T83-I87 VanDerWaalsContact O-CG1 3.25Å; T83-I87 WeakPolarHBondContact O-CG1 3.25Å; T83-I87 PolarHBondContact O-N 3.49Å; V84-I87 PolarHBondContact O-N 2.91Å; I87-N89 PolarHBondContact O-N 2.98Å; I87-S90 WeakPolarHBondContact O-CB 3.35Å; I87-S90 PolarHBondContact O-N 3.27Å; I87-L93 HydrophobicContact CD1-CD2 4.42Å; I87-L93 HydrophobicContact CG1-CD2 4.11Å; I87-L93 HydrophobicContact CG2-CD2 4.18Å; I87-L93 HydrophobicContact CG2-CG 4.28Å; I87-L94 HydrophobicContact CG2-CD1 4.17Å; I87-L99 HydrophobicContact CB-CD1 4.44Å; I87-L99 HydrophobicContact CD1-CD1 4.28Å; I87-L99 HydrophobicContact CG2-CD1 3.82Å; I87-L99 HydrophobicContact CG2-CG 4.45Å; I87-V394 HydrophobicContact CD1-CG1 3.88Å; I87-Y395 HydrophobicContact CD1-CD2 4.28Å; I87-Y395 HydrophobicContact CD1-CE2 4.25Å; I87-Y395 HydrophobicContact CD1-CG 4.41Å; I87-Y395 HydrophobicContact CG1-CE1 4.24Å; I87-Y395 HydrophobicContact CG1-CE2 4.21Å; I87-A398 HydrophobicContact CD1-CB 3.73Å; I87-A398 HydrophobicContact CG2-CB 4.32Å
88	N	97.8	Very high	96.4	Very high	53 Å²	53	40.3 Å²	40.3	28%	0.283	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-26.8	176.7	-75.9	-15.9	0	0	0	113	V84 E85 S90 T98 L99	V84-N88 WeakPolarHBondContact O-CB 3.49Å; V84-N88 VanDerWaalsContact O-CG 3.22Å; V84-N88 PolarHBondContact O-N 3.1Å; V84-N88 PolarHBondContact O-ND2 3.4Å; E85-N88 PolarHBondContact O-N 2.85Å; N88-S90 VanDerWaalsContact C-N 3.34Å; N88-T98 WeakPolarHBondContact OD1-CA 3.49Å; N88-L99 PolarHBondContact ND2-O 3.2Å; N88-L99 PolarHBondContact OD1-N 3.25Å; N88-L99 PolarHBondContact OD1-O 2.84Å
89	N	96.4	Very high	96.4	Very high	142 Å²	142	40.3 Å²	40.3	76%	0.759	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.3	175.1	-162.8	35.9	0	0	0	113	E85 E86 I87	E85-N89 PolarHBondContact O-N 3.25Å; E85-N89 VanDerWaalsContact O-N 3.08Å; E86-N89 PolarHBondContact O-N 3.04Å; I87-N89 PolarHBondContact O-N 2.98Å
90	S	95.1	Very high	96.4	Very high	38 Å²	38	40.3 Å²	40.3	27%	0.266	23%	0.23	S	C	.	.			trans	-77.6	133.1	179.7	-170.6	0	0	0	0	111.8	E86 I87 N88 A92 L93	E86-S90 PolarHBondContact O-N 2.84Å; I87-S90 WeakPolarHBondContact O-CB 3.35Å; I87-S90 PolarHBondContact O-N 3.27Å; N88-S90 VanDerWaalsContact C-N 3.34Å; S90-A92 PolarHBondContact OG-N 3.46Å; S90-L93 PolarHBondContact OG-N 3.33Å; S90-L93 VanDerWaalsContact OG-N 3.12Å
91	T	92.6	Very high	96.3	Very high	131 Å²	131	40.6 Å²	40.6	80%	0.804	23%	0.231	S	C	*	.	S	Bend	trans	-88.8	-13.8	170	60.7	0	0	0	0	112.7
92	A	93.2	Very high	96.1	Very high	76 Å²	76	41.3 Å²	41.3	63%	0.628	24%	0.235	S	C	*	.	S	Bend	trans	-97.8	-36.2	-176	0	0	0	0	0	112.3	S90 H402	S90-A92 PolarHBondContact OG-N 3.46Å; A92-H402 PolarHBondContact O-CE1 3.48Å
93	L	96.1	Very high	96	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.058	23%	0.23	C	C	.	.	S	Bend	trans	-106.1	114.1	-179.6	-177.4	61.4	0	0	0	109.4	I87 S90 Y395 A398 H402	I87-L93 HydrophobicContact CD1-CD2 4.42Å; I87-L93 HydrophobicContact CG1-CD2 4.11Å; I87-L93 HydrophobicContact CG2-CD2 4.18Å; I87-L93 HydrophobicContact CG2-CG 4.28Å; S90-L93 PolarHBondContact OG-N 3.33Å; S90-L93 VanDerWaalsContact OG-N 3.12Å; L93-Y395 HydrophobicContact CD2-CD1 3.83Å; L93-Y395 HydrophobicContact CD2-CE1 3.7Å; L93-A398 HydrophobicContact CD2-CB 3.99Å; L93-A398 HydrophobicContact CG-CB 4.41Å; L93-H402 HydrophobicContact CD1-CB 3.81Å
94	L	95.9	Very high	95.8	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	23%	0.232	C	C	.	.	S	Bend	trans	63.5	51.7	179.4	-61.2	174.9	0	0	0	113.5	I87 N96 I97 L99 A398 L401 H402 L405	I87-L94 HydrophobicContact CG2-CD1 4.17Å; L94-N96 PolarHBondContact O-N 2.93Å; L94-I97 HydrophobicContact CB-CB 4.2Å; L94-I97 PolarHBondContact O-N 2.84Å; L94-I97 VanDerWaalsContact O-O 3.06Å; L94-L99 HydrophobicContact CD1-CD1 3.92Å; L94-L99 HydrophobicContact CD1-CD2 3.84Å; L94-L99 HydrophobicContact CD1-CG 3.86Å; L94-A398 HydrophobicContact CD1-CB 4.04Å; L94-L401 HydrophobicContact CD1-CB 4.48Å; L94-L401 HydrophobicContact CD2-CB 3.99Å; L94-H402 HydrophobicContact CD2-CB 4.05Å; L94-H402 PolarHBondContact N-ND1 3.31Å; L94-L405 HydrophobicContact CD2-CD1 4.25Å
95	P	95.2	Very high	95.6	Very high	16 Å²	16	40.6 Å²	40.6	10%	0.104	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	127.9	-179.3	25.4	-35.7	0	0	0	112.2	I97 C412	P95-I97 PolarHBondContact O-N 2.93Å; P95-C412 VanDerWaalsContact CD-SG 3.57Å
96	N	92.8	Very high	95.4	Very high	132 Å²	132	36.6 Å²	36.6	71%	0.706	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	20.1	-178.2	-55	-49.2	0	0	0	115.3	L94 R414	L94-N96 PolarHBondContact O-N 2.93Å; N96-R414 PolarHBondContact O-NH2 3.38Å
97	I	95.4	Very high	95	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.036	20%	0.201	C	C	.	.			trans	-123.4	124.2	172.6	-63.4	-63.6	0	0	0	107.8	D38 F39 L94 P95 L405 C412 R414	D38-I97 HydrophobicContact CB-CG2 4.24Å; F39-I97 HydrophobicContact CD2-CG2 3.57Å; F39-I97 HydrophobicContact CE2-CG2 3.63Å; L94-I97 HydrophobicContact CB-CB 4.2Å; L94-I97 PolarHBondContact O-N 2.84Å; L94-I97 VanDerWaalsContact O-O 3.06Å; P95-I97 PolarHBondContact O-N 2.93Å; I97-L405 HydrophobicContact CG1-CD1 4.49Å; I97-L405 HydrophobicContact CG2-CD1 4.35Å; I97-C412 HydrophobicContact CD1-CB 4.23Å; I97-C412 HydrophobicContact CG1-CB 3.5Å; I97-C412 VanDerWaalsContact CG1-CB 3.5Å; I97-R414 HydrophobicContact CD1-CG 3.82Å
98	T	96.6	Very high	94.6	Very high	57 Å²	57	34.1 Å²	34.1	35%	0.35	20%	0.202	S	C	.	.			trans	-98.4	134.6	179.8	56.2	0	0	0	0	111	G37 D38 F39 N88	G37-T98 WeakPolarHBondContact CA-OG1 3.17Å; D38-T98 WeakPolarHBondContact CB-O 3.5Å; D38-T98 PolarHBondContact N-O 3.38Å; D38-T98 PolarHBondContact N-OG1 3.47Å; D38-T98 VanDerWaalsContact N-OG1 3.12Å; D38-T98 PolarHBondContact OD2-N 3.42Å; D38-T98 PolarHBondContact OD2-OG1 3.42Å; F39-T98 PolarHBondContact N-O 3.18Å; N88-T98 WeakPolarHBondContact OD1-CA 3.49Å
99	L	97.6	Very high	94.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.1	164.9	-62.5	-177.3	0	0	0	109.2	F39 L41 V84 I87 N88 L94 A398 L401	F39-L99 HydrophobicContact CB-CD2 4.21Å; F39-L99 WeakPolarHBondContact O-CA 3.31Å; L41-L99 HydrophobicContact CD1-CD1 4.47Å; V84-L99 HydrophobicContact CG1-CB 3.99Å; V84-L99 VanDerWaalsContact CG1-O 3.28Å; V84-L99 WeakPolarHBondContact CG1-O 3.48Å; I87-L99 HydrophobicContact CB-CD1 4.44Å; I87-L99 HydrophobicContact CD1-CD1 4.28Å; I87-L99 HydrophobicContact CG2-CD1 3.82Å; I87-L99 HydrophobicContact CG2-CG 4.45Å; N88-L99 PolarHBondContact ND2-O 3.2Å; N88-L99 PolarHBondContact OD1-N 3.25Å; N88-L99 PolarHBondContact OD1-O 2.84Å; L94-L99 HydrophobicContact CD1-CD1 3.92Å; L94-L99 HydrophobicContact CD1-CD2 3.84Å; L94-L99 HydrophobicContact CD1-CG 3.86Å; L99-A398 HydrophobicContact CD1-CB 4Å; L99-L401 HydrophobicContact CD2-CD1 3.68Å
100	G	97.3	Very high	93.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	178.9	166.5	0	0	0	0	0	110.3	L35 F39 L41	L35-G100 CarbonylContact O-C 3.51Å; L35-G100 WeakPolarHBondContact O-CA 3.36Å; F39-G100 PolarHBondContact O-N 2.87Å; L41-G100 PolarHBondContact N-O 2.97Å
101	Y	96.6	Very high	93.5	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.02	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	158.2	179.6	57.6	-112.1	0	0	0	113.9	G32 S34 L35 L41 R81 V84 L103	G32-Y101 WeakPolarHBondContact O-CE2 3.43Å; G32-Y101 PolarHBondContact O-OH 3.2Å; S34-Y101 VanDerWaalsContact CA-O 3.3Å; S34-Y101 WeakPolarHBondContact CA-O 3.49Å; L35-Y101 HydrophobicContact CB-CD1 3.81Å; L35-Y101 HydrophobicContact CB-CD2 4.01Å; L35-Y101 HydrophobicContact CB-CE1 3.51Å; L35-Y101 HydrophobicContact CB-CE2 3.72Å; L35-Y101 HydrophobicContact CB-CG 4.06Å; L35-Y101 VanDerWaalsContact CB-CZ 3.48Å; L35-Y101 HydrophobicContact CD2-CD1 4.06Å; L35-Y101 HydrophobicContact CD2-CE1 3.65Å; L35-Y101 HydrophobicContact CG-CE1 4.2Å; L35-Y101 PolarHBondContact N-O 2.91Å; L35-Y101 PolarHBondContact O-N 3.09Å; L41-Y101 CarbonylContact O-C 3.47Å; L41-Y101 WeakPolarHBondContact O-CA 3.34Å; R81-Y101 HydrophobicContact CB-CE1 4.34Å; R81-Y101 HydrophobicContact CG-CE1 4.08Å; R81-Y101 HydrophobicContact CG-CE2 4.36Å; R81-Y101 WeakPolarHBondContact CG-OH 3.37Å; R81-Y101 PolarHBondContact NE-OH 3.22Å; V84-Y101 HydrophobicContact CB-CD1 4.01Å; V84-Y101 HydrophobicContact CB-CE1 4.36Å; V84-Y101 HydrophobicContact CG1-CD1 3.9Å; V84-Y101 HydrophobicContact CG1-CE1 4.29Å; V84-Y101 HydrophobicContact CG2-CD1 4.05Å; Y101-L103 HydrophobicContact CD2-CD1 3.84Å; Y101-L103 HydrophobicContact CD2-CD2 3.79Å; Y101-L103 HydrophobicContact CD2-CG 3.52Å; Y101-L103 HydrophobicContact CE2-CD1 3.82Å; Y101-L103 HydrophobicContact CE2-CG 3.97Å; Y101-L103 HydrophobicContact CG-CD2 3.98Å; Y101-L103 HydrophobicContact CG-CG 4.22Å
102	E	93.5	Very high	93.6	Very high	28 Å²	28	21.7 Å²	21.7	13%	0.131	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	113.6	163.4	-59.2	-149.6	131.5	0	0	109.9	L41 A42 G43 Y104 K140	L41-E102 PolarHBondContact O-N 3.43Å; A42-E102 CarbonylContact C-O 3.48Å; A42-E102 VanDerWaalsContact CA-O 3.26Å; A42-E102 WeakPolarHBondContact CA-O 3.42Å; G43-E102 PolarHBondContact N-O 2.87Å; E102-Y104 HydrophobicContact CB-CE2 4.06Å; E102-Y104 PolarHBondContact OE2-OH 2.91Å; E102-K140 VanDerWaalsContact OE1-CE 3.25Å; E102-K140 WeakPolarHBondContact OE1-CE 3.49Å; E102-K140 IonicContact OE1-NZ 3.19Å; E102-K140 PolarHBondContact OE1-NZ 2.98Å; E102-K140 WeakPolarHBondContact OE2-CD 3.35Å; E102-K140 WeakPolarHBondContact OE2-CE 3.43Å; E102-K140 IonicContact OE2-NZ 3.89Å; E102-K140 PolarHBondContact OE2-NZ 3.4Å
103	L	95.3	Very high	93.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	149.1	-175	-46.4	-175.6	0	0	0	109.3	F33 G43 F45 F77 M80 R81 Y101 Q363	F33-L103 HydrophobicContact CD1-CB 4.21Å; F33-L103 WeakPolarHBondContact CD1-O 3.44Å; F33-L103 PolarHBondContact O-N 2.71Å; G43-L103 CarbonylContact O-C 3.55Å; G43-L103 WeakPolarHBondContact O-CA 3.35Å; F45-L103 HydrophobicContact CE2-CD2 4.14Å; F77-L103 HydrophobicContact CD2-CB 4.07Å; F77-L103 HydrophobicContact CD2-CD1 3.61Å; F77-L103 HydrophobicContact CD2-CG 4.46Å; F77-L103 HydrophobicContact CE1-CD1 4.46Å; F77-L103 HydrophobicContact CE2-CB 3.65Å; F77-L103 HydrophobicContact CE2-CD1 3.29Å; F77-L103 HydrophobicContact CE2-CG 4.07Å; F77-L103 HydrophobicContact CG-CD1 4.34Å; F77-L103 HydrophobicContact CZ-CD1 3.75Å; M80-L103 HydrophobicContact CE-CD2 3.85Å; M80-L103 HydrophobicContact CG-CD2 4.3Å; M80-L103 HydrophobicContact SD-CD2 3.52Å; M80-L103 VanDerWaalsContact SD-CD2 3.52Å; R81-L103 HydrophobicContact CG-CD1 3.79Å; Y101-L103 HydrophobicContact CD2-CD1 3.84Å; Y101-L103 HydrophobicContact CD2-CD2 3.79Å; Y101-L103 HydrophobicContact CD2-CG 3.52Å; Y101-L103 HydrophobicContact CE2-CD1 3.82Å; Y101-L103 HydrophobicContact CE2-CG 3.97Å; Y101-L103 HydrophobicContact CG-CD2 3.98Å; Y101-L103 HydrophobicContact CG-CG 4.22Å; L103-Q363 WeakPolarHBondContact O-CG 3.49Å; L103-Q363 PolarHBondContact O-NE2 3.06Å
104	Y	94.3	Very high	93.2	Very high	9 Å²	9	22.4 Å²	22.4	4%	0.035	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	139.1	179.3	-62.3	-85.1	0	0	0	110.6	G43 L44 F45 E102 A115 R118 V119 N362 Q363	G43-Y104 PolarHBondContact O-N 3.35Å; L44-Y104 HydrophobicContact CD2-CD2 4.1Å; L44-Y104 HydrophobicContact CD2-CG 4.4Å; F45-Y104 PolarHBondContact N-O 3.31Å; E102-Y104 HydrophobicContact CB-CE2 4.06Å; E102-Y104 PolarHBondContact OE2-OH 2.91Å; Y104-A115 HydrophobicContact CD1-CB 4.08Å; Y104-A115 HydrophobicContact CD2-CB 4.09Å; Y104-A115 HydrophobicContact CG-CB 3.66Å; Y104-R118 HydrophobicContact CE1-CB 4.34Å; Y104-V119 HydrophobicContact CD2-CG2 4.43Å; Y104-V119 HydrophobicContact CE2-CG2 3.93Å; Y104-N362 WeakPolarHBondContact CD1-ND2 3.03Å; Y104-Q363 HydrophobicContact CD1-CG 3.68Å; Y104-Q363 HydrophobicContact CE1-CG 3.99Å
105	D	93.4	Very high	93.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	121.6	166.9	-168.4	-6.7	0	0	0	110.1	F45 L47 H48 C63 C107 N362	F45-D105 CarbonylContact O-C 3.43Å; F45-D105 VanDerWaalsContact O-CA 3.23Å; F45-D105 WeakPolarHBondContact O-CA 3.19Å; L47-D105 HydrophobicContact CD1-CB 4.46Å; L47-D105 PolarHBondContact N-OD1 2.97Å; L47-D105 VanDerWaalsContact N-OD1 3.11Å; H48-D105 IonicContact CE1-OD2 3.88Å; H48-D105 IonicContact CG-OD2 3.99Å; H48-D105 IonicContact ND1-OD2 3.28Å; H48-D105 PolarHBondContact ND1-OD2 3.07Å; C63-D105 HydrophobicContact CB-CB 4.15Å; C63-D105 VanDerWaalsContact CB-CG 3.44Å; C63-D105 WeakPolarHBondContact CB-OD2 3.39Å; D105-C107 PolarHBondContact OD1-N 3.14Å; D105-N362 HydrophobicContact CB-CB 4.48Å; D105-N362 WeakPolarHBondContact CB-O 3.37Å; D105-N362 PolarHBondContact N-O 3.03Å; D105-N362 WeakPolarHBondContact O-CB 3.02Å
106	V	93	Very high	93	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.			trans	-117.2	45.9	-177.7	-65.3	0	0	0	0	112.5	L44 F45 S108 N112 A115 P147 H152	L44-V106 HydrophobicContact CB-CG1 3.86Å; L44-V106 HydrophobicContact CB-CG2 3.92Å; L44-V106 HydrophobicContact CD1-CG1 4.37Å; L44-V106 HydrophobicContact CD2-CG1 3.75Å; L44-V106 HydrophobicContact CG-CG1 4.17Å; F45-V106 PolarHBondContact O-N 3.22Å; V106-S108 PolarHBondContact O-N 3.45Å; V106-N112 HydrophobicContact CB-CB 4.22Å; V106-N112 HydrophobicContact CG1-CB 4.3Å; V106-A115 HydrophobicContact CG1-CB 4.09Å; V106-P147 HydrophobicContact CG2-CB 4.13Å; V106-H152 PolarHBondContact O-CD2 3.5Å; V106-H152 PolarHBondContact O-NE2 2.94Å
107	C	89.6	Confident	92.9	Very high	2 Å²	2	19 Å²	19	1%	0.014	10%	0.101	C	C	.	.	S	Bend	trans	-57.3	4.3	176.4	75	0	0	0	0	116.8	H48 D50 T61 C63 D105	H48-C107 HydrophobicContact CB-CB 4.22Å; H48-C107 WeakPolarHBondContact O-CB 3.45Å; D50-C107 WeakPolarHBondContact CA-O 3.42Å; T61-C107 WeakPolarHBondContact CG2-SG 3.45Å; C63-C107 WeakPolarHBondContact CA-SG 3.45Å; C63-C107 HydrophobicContact CB-CB 3.72Å; C63-C107 WeakPolarHBondContact CB-SG 3.31Å; C63-C107 WeakPolarHBondContact SG-CB 3.49Å; C63-C107 CovalentContact SG-SG 2.04Å; C63-C107 PolarHBondContact SG-SG 3.24Å; D105-C107 PolarHBondContact OD1-N 3.14Å
108	S	88.6	Confident	92.6	Very high	6 Å²	6	23.5 Å²	23.5	4%	0.042	12%	0.117	C	C	.	.	S	Bend	trans	-170.2	166.2	-179.5	69.5	0	0	0	0	111.1	T61 V106 S110 S111 N112 H152	T61-S108 VanDerWaalsContact CB-OG 3.23Å; T61-S108 WeakPolarHBondContact CB-OG 3.35Å; T61-S108 WeakPolarHBondContact OG1-CB 3.25Å; T61-S108 PolarHBondContact OG1-OG 3.28Å; V106-S108 PolarHBondContact O-N 3.45Å; S108-S110 VanDerWaalsContact C-N 3.32Å; S108-S110 PolarHBondContact O-N 2.88Å; S108-S110 PolarHBondContact OG-N 3.22Å; S108-S110 PolarHBondContact OG-OG 2.95Å; S108-S111 PolarHBondContact N-OG 3.19Å; S108-S111 PolarHBondContact O-N 3.14Å; S108-S111 PolarHBondContact O-OG 2.92Å; S108-S111 PolarHBondContact OG-N 3.46Å; S108-S111 PolarHBondContact OG-OG 3.21Å; S108-N112 VanDerWaalsContact O-CB 3.25Å; S108-N112 WeakPolarHBondContact O-CB 3.21Å; S108-N112 PolarHBondContact O-N 3.08Å; S108-H152 VanDerWaalsContact C-CE1 3.48Å
109	E	88.6	Confident	92.3	Very high	65 Å²	65	20.8 Å²	20.8	30%	0.304	10%	0.101	S	C	.	.	H	α-helix	trans	-57.1	-39.8	174	-76.8	-61.1	150.6	0	0	113.7	N112 V113 H152 T155	E109-N112 WeakPolarHBondContact O-CB 3.19Å; E109-N112 PolarHBondContact O-N 2.96Å; E109-V113 WeakPolarHBondContact O-CG2 3.37Å; E109-V113 PolarHBondContact O-N 3.36Å; E109-H152 VanDerWaalsContact CD-ND1 3.27Å; E109-H152 PolarHBondContact N-CE1 2.78Å; E109-H152 WeakPolarHBondContact OE1-CA 3.5Å; E109-H152 IonicContact OE1-CE1 2.72Å; E109-H152 PolarHBondContact OE1-CE1 3.02Å; E109-H152 IonicContact OE1-CG 2.72Å; E109-H152 PolarHBondContact OE1-N 2.91Å; E109-H152 IonicContact OE1-ND1 2.79Å; E109-H152 PolarHBondContact OE1-ND1 3.23Å; E109-H152 IonicContact OE2-ND1 2.59Å; E109-T155 WeakPolarHBondContact OE2-CB 3.4Å; E109-T155 PolarHBondContact OE2-OG1 3.47Å
110	S	88.9	Confident	91.9	Very high	38 Å²	38	20.9 Å²	20.9	27%	0.266	10%	0.101	S	C	.	.	H	α-helix	trans	-71.2	-36	-177.6	69.9	0	0	0	0	113.2	R55 T61 S108 Y114	R55-S110 PolarHBondContact NH1-OG 3.5Å; T61-S110 PolarHBondContact N-OG 3.3Å; T61-S110 VanDerWaalsContact N-OG 3.08Å; T61-S110 PolarHBondContact OG1-OG 3.45Å; S108-S110 VanDerWaalsContact C-N 3.32Å; S108-S110 PolarHBondContact O-N 2.88Å; S108-S110 PolarHBondContact OG-N 3.22Å; S108-S110 PolarHBondContact OG-OG 2.95Å; S110-Y114 WeakPolarHBondContact O-CB 3.38Å; S110-Y114 PolarHBondContact O-N 3.34Å
111	S	89.9	Confident	91.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-70.8	-35.2	172.7	45.2	0	0	0	0	111.3	S108 Y114 A115	S108-S111 PolarHBondContact N-OG 3.19Å; S108-S111 PolarHBondContact O-N 3.14Å; S108-S111 PolarHBondContact O-OG 2.92Å; S108-S111 PolarHBondContact OG-N 3.46Å; S108-S111 PolarHBondContact OG-OG 3.21Å; S111-Y114 PolarHBondContact O-N 2.89Å; S111-A115 VanDerWaalsContact O-CB 3.32Å; S111-A115 WeakPolarHBondContact O-CB 3.23Å; S111-A115 PolarHBondContact O-N 3.27Å
112	N	93.1	Very high	90.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-49.5	173.9	-178.5	55.9	0	0	0	112.3	V106 S108 E109 Y114 A115 T116 H152 T156	V106-N112 HydrophobicContact CB-CB 4.22Å; V106-N112 HydrophobicContact CG1-CB 4.3Å; S108-N112 VanDerWaalsContact O-CB 3.25Å; S108-N112 WeakPolarHBondContact O-CB 3.21Å; S108-N112 PolarHBondContact O-N 3.08Å; E109-N112 WeakPolarHBondContact O-CB 3.19Å; E109-N112 PolarHBondContact O-N 2.96Å; N112-Y114 PolarHBondContact O-N 3.48Å; N112-A115 PolarHBondContact O-N 3.48Å; N112-T116 WeakPolarHBondContact O-CB 3.11Å; N112-T116 PolarHBondContact O-N 3.12Å; N112-T116 PolarHBondContact O-OG1 3.07Å; N112-H152 HydrophobicContact CB-CB 4.38Å; N112-H152 WeakPolarHBondContact ND2-CA 3.3Å; N112-H152 PolarHBondContact ND2-O 2.84Å; N112-T156 PolarHBondContact ND2-OG1 2.86Å; N112-T156 PolarHBondContact OD1-OG1 3.43Å
113	V	92.6	Very high	89.7	Confident	49 Å²	49	28.3 Å²	28.3	30%	0.297	14%	0.138	S	C	.	.	H	α-helix	trans	-61	-45.5	174.8	171.7	0	0	0	0	110.9	E109 A115 T116 L117 T155 L159	E109-V113 WeakPolarHBondContact O-CG2 3.37Å; E109-V113 PolarHBondContact O-N 3.36Å; V113-A115 PolarHBondContact O-N 3.29Å; V113-T116 PolarHBondContact O-N 3.29Å; V113-L117 HydrophobicContact CG1-CD1 3.94Å; V113-L117 HydrophobicContact CG1-CG 4.37Å; V113-L117 WeakPolarHBondContact O-CG 3.13Å; V113-L117 PolarHBondContact O-N 3.45Å; V113-T155 HydrophobicContact CG2-CG2 3.55Å; V113-L159 HydrophobicContact CG1-CD1 4.33Å; V113-L159 HydrophobicContact CG2-CD1 4.45Å
114	Y	89.7	Confident	88.5	Confident	53 Å²	53	31.9 Å²	31.9	21%	0.208	17%	0.174	C	C	.	.	H	α-helix	trans	-58.2	-48.6	177.6	171.8	-91.8	0	0	0	112.1	V60 S110 S111 N112 T116 L117 R118 N362	V60-Y114 HydrophobicContact CG1-CD1 4.39Å; V60-Y114 HydrophobicContact CG1-CD2 4.44Å; V60-Y114 HydrophobicContact CG1-CG 3.97Å; V60-Y114 HydrophobicContact CG2-CD2 3.76Å; V60-Y114 HydrophobicContact CG2-CG 3.99Å; S110-Y114 WeakPolarHBondContact O-CB 3.38Å; S110-Y114 PolarHBondContact O-N 3.34Å; S111-Y114 PolarHBondContact O-N 2.89Å; N112-Y114 PolarHBondContact O-N 3.48Å; Y114-T116 PolarHBondContact O-N 3.02Å; Y114-L117 PolarHBondContact O-N 2.9Å; Y114-R118 HydrophobicContact CD1-CG 4.28Å; Y114-R118 HydrophobicContact CE1-CG 3.83Å; Y114-R118 HydrophobicContact CE2-CG 4.27Å; Y114-R118 WeakPolarHBondContact O-CG 3.16Å; Y114-R118 PolarHBondContact O-N 2.87Å; Y114-R118 PolarHBondContact OH-NE 2.83Å; Y114-R118 VanDerWaalsContact OH-NE 3.1Å; Y114-R118 PolarHBondContact OH-NH2 3.45Å; Y114-R118 VanDerWaalsContact OH-NH2 3.08Å; Y114-N362 WeakPolarHBondContact CD1-ND2 3.28Å; Y114-N362 VanDerWaalsContact CE1-OD1 3.31Å; Y114-N362 WeakPolarHBondContact CE1-OD1 3.33Å
115	A	91.9	Very high	87.5	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-45.7	178.3	0	0	0	0	0	111	L44 Y104 V106 S111 N112 V113 L117 R118 V119	L44-A115 HydrophobicContact CD2-CB 3.53Å; Y104-A115 HydrophobicContact CD1-CB 4.08Å; Y104-A115 HydrophobicContact CD2-CB 4.09Å; Y104-A115 HydrophobicContact CG-CB 3.66Å; V106-A115 HydrophobicContact CG1-CB 4.09Å; S111-A115 VanDerWaalsContact O-CB 3.32Å; S111-A115 WeakPolarHBondContact O-CB 3.23Å; S111-A115 PolarHBondContact O-N 3.27Å; N112-A115 PolarHBondContact O-N 3.48Å; V113-A115 PolarHBondContact O-N 3.29Å; A115-L117 VanDerWaalsContact C-N 3.33Å; A115-L117 PolarHBondContact O-N 2.86Å; A115-R118 WeakPolarHBondContact O-CB 3.34Å; A115-R118 PolarHBondContact O-N 3.36Å; A115-R118 VanDerWaalsContact O-N 3.11Å; A115-V119 VanDerWaalsContact O-CG2 3.29Å; A115-V119 WeakPolarHBondContact O-CG2 3.34Å; A115-V119 PolarHBondContact O-N 3.37Å
116	T	94.1	Very high	86.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-42	178.3	-55.1	0	0	0	0	112.4	N112 V113 Y114 V119 L120 T156 L159 L160	N112-T116 WeakPolarHBondContact O-CB 3.11Å; N112-T116 PolarHBondContact O-N 3.12Å; N112-T116 PolarHBondContact O-OG1 3.07Å; V113-T116 PolarHBondContact O-N 3.29Å; Y114-T116 PolarHBondContact O-N 3.02Å; T116-V119 WeakPolarHBondContact O-CB 3.14Å; T116-V119 PolarHBondContact O-N 3.45Å; T116-L120 PolarHBondContact O-N 3.33Å; T116-L120 VanDerWaalsContact O-N 3.11Å; T116-T156 HydrophobicContact CG2-CG2 4Å; T116-T156 PolarHBondContact OG1-OG1 3.03Å; T116-L159 HydrophobicContact CG2-CB 3.73Å; T116-L159 HydrophobicContact CG2-CD1 3.86Å; T116-L159 HydrophobicContact CG2-CG 4.47Å; T116-L160 HydrophobicContact CG2-CD2 3.94Å; T116-L160 HydrophobicContact CG2-CG 4.08Å
117	L	90.7	Very high	85.9	Confident	80 Å²	80	43.1 Å²	43.1	42%	0.419	24%	0.243	S	C	.	.	H	α-helix	trans	-68.6	-34.8	176.5	-68.1	174.9	0	0	0	112.3	V113 Y114 A115 L120 A121 L128	V113-L117 HydrophobicContact CG1-CD1 3.94Å; V113-L117 HydrophobicContact CG1-CG 4.37Å; V113-L117 WeakPolarHBondContact O-CG 3.13Å; V113-L117 PolarHBondContact O-N 3.45Å; Y114-L117 PolarHBondContact O-N 2.9Å; A115-L117 VanDerWaalsContact C-N 3.33Å; A115-L117 PolarHBondContact O-N 2.86Å; L117-L120 PolarHBondContact O-N 2.93Å; L117-A121 PolarHBondContact O-N 3.27Å; L117-L128 HydrophobicContact CD2-CD2 4.42Å
118	R	88.3	Confident	85.5	Confident	101 Å²	101	45.8 Å²	45.8	38%	0.381	26%	0.256	S	S	.	.	H	α-helix	trans	-65.9	-40.5	173.8	-77.4	-70.1	-167.9	157.9	0.3	112.2	Y104 Y114 A115 L120 A121	Y104-R118 HydrophobicContact CE1-CB 4.34Å; Y114-R118 HydrophobicContact CD1-CG 4.28Å; Y114-R118 HydrophobicContact CE1-CG 3.83Å; Y114-R118 HydrophobicContact CE2-CG 4.27Å; Y114-R118 WeakPolarHBondContact O-CG 3.16Å; Y114-R118 PolarHBondContact O-N 2.87Å; Y114-R118 PolarHBondContact OH-NE 2.83Å; Y114-R118 VanDerWaalsContact OH-NE 3.1Å; Y114-R118 PolarHBondContact OH-NH2 3.45Å; Y114-R118 VanDerWaalsContact OH-NH2 3.08Å; A115-R118 WeakPolarHBondContact O-CB 3.34Å; A115-R118 PolarHBondContact O-N 3.36Å; A115-R118 VanDerWaalsContact O-N 3.11Å; R118-L120 VanDerWaalsContact C-N 3.31Å; R118-L120 PolarHBondContact O-N 2.77Å; R118-A121 VanDerWaalsContact O-CB 3.28Å; R118-A121 WeakPolarHBondContact O-CB 3.31Å; R118-A121 PolarHBondContact O-N 2.85Å; R118-A121 VanDerWaalsContact O-N 3.13Å
119	V	90	Very high	84.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-42.4	174.1	161.2	0	0	0	0	111.2	A42 Y104 A115 T116 A121 V141 L144	A42-V119 HydrophobicContact CB-CB 4.3Å; A42-V119 HydrophobicContact CB-CG1 4.01Å; A42-V119 HydrophobicContact CB-CG2 3.35Å; Y104-V119 HydrophobicContact CD2-CG2 4.43Å; Y104-V119 HydrophobicContact CE2-CG2 3.93Å; A115-V119 VanDerWaalsContact O-CG2 3.29Å; A115-V119 WeakPolarHBondContact O-CG2 3.34Å; A115-V119 PolarHBondContact O-N 3.37Å; T116-V119 WeakPolarHBondContact O-CB 3.14Å; T116-V119 PolarHBondContact O-N 3.45Å; V119-A121 VanDerWaalsContact C-N 3.28Å; V119-A121 PolarHBondContact O-N 2.84Å; V119-V141 HydrophobicContact CB-CG2 4.17Å; V119-V141 HydrophobicContact CG1-CG2 3.31Å; V119-L144 HydrophobicContact CB-CD1 4.34Å; V119-L144 HydrophobicContact CG1-CD1 3.87Å; V119-L144 HydrophobicContact CG2-CD1 4.04Å
120	L	89.8	Confident	84.4	Confident	2 Å²	2	54 Å²	54	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-73.7	-15.3	177.4	-73.2	172.7	0	0	0	113.6	T116 L117 R118 L128 H137 L160 F163 M165	T116-L120 PolarHBondContact O-N 3.33Å; T116-L120 VanDerWaalsContact O-N 3.11Å; L117-L120 PolarHBondContact O-N 2.93Å; R118-L120 VanDerWaalsContact C-N 3.31Å; R118-L120 PolarHBondContact O-N 2.77Å; L120-L128 HydrophobicContact CB-CD1 3.87Å; L120-L128 HydrophobicContact CB-CD2 4.38Å; L120-L128 WeakPolarHBondContact O-CD1 3.32Å; L120-H137 PolarHBondContact O-NE2 3.26Å; L120-L160 HydrophobicContact CD1-CD2 4.03Å; L120-L160 HydrophobicContact CD2-CD2 3.65Å; L120-L160 HydrophobicContact CG-CD2 3.72Å; L120-F163 HydrophobicContact CD1-CD2 3.92Å; L120-F163 HydrophobicContact CD1-CE2 3.7Å; L120-F163 HydrophobicContact CD1-CZ 4.39Å; L120-F163 HydrophobicContact CD2-CB 4.11Å; L120-F163 HydrophobicContact CD2-CD1 4.21Å; L120-F163 HydrophobicContact CD2-CD2 3.57Å; L120-F163 HydrophobicContact CD2-CE2 4.02Å; L120-F163 HydrophobicContact CD2-CG 3.69Å; L120-F163 HydrophobicContact CD2-CZ 4.5Å; L120-F163 HydrophobicContact CG-CD2 4.41Å; L120-F163 HydrophobicContact CG-CE2 4.46Å; L120-M165 HydrophobicContact CD2-CE 4.09Å
121	A	86.8	Confident	83.8	Confident	8 Å²	8	55.2 Å²	55.2	7%	0.066	30%	0.297	C	S	.	.	S	Bend	trans	-61.4	144	-178.4	0	0	0	0	0	112	L117 R118 V119 K140	L117-A121 PolarHBondContact O-N 3.27Å; R118-A121 VanDerWaalsContact O-CB 3.28Å; R118-A121 WeakPolarHBondContact O-CB 3.31Å; R118-A121 PolarHBondContact O-N 2.85Å; R118-A121 VanDerWaalsContact O-N 3.13Å; V119-A121 VanDerWaalsContact C-N 3.28Å; V119-A121 PolarHBondContact O-N 2.84Å; A121-K140 PolarHBondContact O-N 3.19Å
122	Q	80.6	Confident	83.3	Confident	42 Å²	42	67.9 Å²	67.9	20%	0.196	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-64	145.8	174.1	-72.2	175.2	-10.6	0	0	110.3	G124 T125 G126 H127 E129	Q122-G124 PolarHBondContact O-N 3.32Å; Q122-T125 WeakPolarHBondContact CB-OG1 3.31Å; Q122-T125 PolarHBondContact O-N 3.43Å; Q122-T125 PolarHBondContact O-OG1 3.39Å; Q122-G126 PolarHBondContact O-N 2.96Å; Q122-H127 PolarHBondContact N-O 3.04Å; Q122-E129 PolarHBondContact NE2-OE2 2.9Å
123	Q	73.6	Confident	82.8	Confident	140 Å²	140	70.6 Å²	70.6	65%	0.654	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	126.2	179.9	-169.2	173.5	7.5	0	0	110.9	T125 K140	Q123-T125 VanDerWaalsContact C-N 3.28Å; Q123-T125 PolarHBondContact O-N 2.93Å; Q123-K140 HydrophobicContact CB-CB 4.25Å; Q123-K140 HydrophobicContact CB-CG 4.44Å; Q123-K140 HydrophobicContact CG-CG 4.32Å
124	G	70.6	Confident	82.3	Confident	74 Å²	74	69.7 Å²	69.7	76%	0.763	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-21.5	175.7	0	0	0	0	0	116.2	Q122	Q122-G124 PolarHBondContact O-N 3.32Å
125	T	74.5	Confident	81.8	Confident	67 Å²	67	73 Å²	73	41%	0.411	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-30.7	-178	69.7	0	0	0	0	112.9	Q122 Q123 H127	Q122-T125 WeakPolarHBondContact CB-OG1 3.31Å; Q122-T125 PolarHBondContact O-N 3.43Å; Q122-T125 PolarHBondContact O-OG1 3.39Å; Q123-T125 VanDerWaalsContact C-N 3.28Å; Q123-T125 PolarHBondContact O-N 2.93Å; T125-H127 PolarHBondContact O-N 3.41Å; T125-H127 PolarHBondContact O-ND1 3.32Å; T125-H127 PolarHBondContact OG1-N 2.86Å; T125-H127 VanDerWaalsContact OG1-N 3.12Å
126	G	71.7	Confident	81.1	Confident	42 Å²	42	77.4 Å²	77.4	43%	0.433	39%	0.389	S	S	.	.			trans	66.4	16.4	-171	0	0	0	0	0	113.2	Q122	Q122-G126 PolarHBondContact O-N 2.96Å
127	H	79.9	Confident	80.5	Confident	136 Å²	136	77.6 Å²	77.6	63%	0.63	39%	0.39	S	S	*	.			trans	-115.2	146.5	-179.5	-60.8	-14	0	0	0	110.5	Q122 T125	Q122-H127 PolarHBondContact N-O 3.04Å; T125-H127 PolarHBondContact O-N 3.41Å; T125-H127 PolarHBondContact O-ND1 3.32Å; T125-H127 PolarHBondContact OG1-N 2.86Å; T125-H127 VanDerWaalsContact OG1-N 3.12Å
128	L	80.6	Confident	80	Confident	58 Å²	58	77.2 Å²	77.2	30%	0.304	39%	0.393	S	S	.	.			trans	-102.4	106.7	172	-179.4	61.6	0	0	0	108.4	L117 L120 M130 F163	L117-L128 HydrophobicContact CD2-CD2 4.42Å; L120-L128 HydrophobicContact CB-CD1 3.87Å; L120-L128 HydrophobicContact CB-CD2 4.38Å; L120-L128 WeakPolarHBondContact O-CD1 3.32Å; L128-M130 HydrophobicContact CD2-SD 4.43Å; L128-M130 HydrophobicContact CG-SD 4.43Å; L128-F163 HydrophobicContact CD1-CE1 4.04Å; L128-F163 HydrophobicContact CD1-CZ 3.9Å; L128-F163 HydrophobicContact CD2-CZ 4.28Å; L128-F163 HydrophobicContact CG-CZ 4.49Å
129	E	76.7	Confident	79.7	Confident	107 Å²	107	73.2 Å²	73.2	50%	0.5	38%	0.381	S	S	.	.			trans	-85.9	123.9	176.7	-167.5	-178.2	-174.5	0	0	110.2	Q122 Q131	Q122-E129 PolarHBondContact NE2-OE2 2.9Å; E129-Q131 PolarHBondContact O-N 2.99Å; E129-Q131 VanDerWaalsContact O-N 3.11Å
130	M	78.2	Confident	79.5	Confident	136 Å²	136	76.4 Å²	76.4	67%	0.67	40%	0.395	S	S	*	.			trans	-83	89.7	178.8	-65.8	-59.2	-65.9	0	0	110.4	L128 L134	L128-M130 HydrophobicContact CD2-SD 4.43Å; L128-M130 HydrophobicContact CG-SD 4.43Å; M130-L134 HydrophobicContact CE-CD1 4.27Å; M130-L134 HydrophobicContact CE-CD2 4.17Å; M130-L134 HydrophobicContact SD-CD2 4.49Å
131	Q	77	Confident	79.6	Confident	64 Å²	64	76.3 Å²	76.3	30%	0.299	39%	0.394	S	S	.	.			trans	-76.1	157.9	175.8	-62.9	-176.5	-13.6	0	0	111.9	E129 L134	E129-Q131 PolarHBondContact O-N 2.99Å; E129-Q131 VanDerWaalsContact O-N 3.11Å; Q131-L134 VanDerWaalsContact O-CD2 3.27Å; Q131-L134 WeakPolarHBondContact O-CD2 3.5Å
132	R	79	Confident	80	Confident	267 Å²	267	76.4 Å²	76.4	100%	1.008	39%	0.394	S	S	*	.	S	Bend	trans	-62.4	-43.5	175.6	-106.2	-172.3	-171.5	165.5	3.4	112.7
133	D	82.3	Confident	80.7	Confident	56 Å²	56	74.4 Å²	74.4	30%	0.299	39%	0.385	S	S	.	.	S	Bend	trans	-110.4	101	171.4	-168.9	-13.9	0	0	0	108.4	R135 N136	D133-R135 PolarHBondContact O-N 3.39Å; D133-R135 VanDerWaalsContact O-N 3.13Å; D133-R135 VanDerWaalsContact OD1-CB 3.27Å; D133-R135 WeakPolarHBondContact OD1-CB 3.32Å; D133-R135 WeakPolarHBondContact OD1-CG 3.36Å; D133-R135 IonicContact OD1-CZ 3.06Å; D133-R135 PolarHBondContact OD1-N 2.87Å; D133-R135 VanDerWaalsContact OD1-N 3.07Å; D133-R135 IonicContact OD1-NE 3.73Å; D133-R135 PolarHBondContact OD1-NE 3.44Å; D133-R135 IonicContact OD1-NH2 2.73Å; D133-R135 IonicContact OD2-CZ 3.66Å; D133-R135 IonicContact OD2-NE 3.07Å; D133-R135 PolarHBondContact OD2-NE 3.09Å; D133-R135 IonicContact OD2-NH2 2.66Å; D133-R135 PolarHBondContact OD2-NH2 3.42Å; D133-N136 PolarHBondContact O-N 3.39Å
134	L	82	Confident	81.9	Confident	31 Å²	31	67.8 Å²	67.8	16%	0.162	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-66.5	-10.8	-177.9	-61.9	174.5	0	0	0	112.8	M130 Q131 N136 H137 P162 F163	M130-L134 HydrophobicContact CE-CD1 4.27Å; M130-L134 HydrophobicContact CE-CD2 4.17Å; M130-L134 HydrophobicContact SD-CD2 4.49Å; Q131-L134 VanDerWaalsContact O-CD2 3.27Å; Q131-L134 WeakPolarHBondContact O-CD2 3.5Å; L134-N136 VanDerWaalsContact C-N 3.29Å; L134-N136 PolarHBondContact O-N 3.42Å; L134-H137 WeakPolarHBondContact O-CB 3.48Å; L134-H137 PolarHBondContact O-N 2.94Å; L134-P162 WeakPolarHBondContact CB-O 3.3Å; L134-P162 HydrophobicContact CD1-CB 3.58Å; L134-F163 HydrophobicContact CB-CD1 3.96Å; L134-F163 HydrophobicContact CB-CE1 4.08Å; L134-F163 HydrophobicContact CD1-CE1 4.47Å; L134-F163 HydrophobicContact CD1-CZ 4.33Å; L134-F163 HydrophobicContact CD2-CD1 4.5Å; L134-F163 HydrophobicContact CD2-CE1 3.77Å; L134-F163 HydrophobicContact CD2-CZ 4.12Å; L134-F163 HydrophobicContact CG-CE1 4.32Å
135	R	79.1	Confident	83.3	Confident	122 Å²	122	64.2 Å²	64.2	46%	0.46	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-72.6	-22.6	174.3	-61.1	176	-67.1	-171	3.9	113.2	D133 L164 W420	D133-R135 PolarHBondContact O-N 3.39Å; D133-R135 VanDerWaalsContact O-N 3.13Å; D133-R135 VanDerWaalsContact OD1-CB 3.27Å; D133-R135 WeakPolarHBondContact OD1-CB 3.32Å; D133-R135 WeakPolarHBondContact OD1-CG 3.36Å; D133-R135 IonicContact OD1-CZ 3.06Å; D133-R135 PolarHBondContact OD1-N 2.87Å; D133-R135 VanDerWaalsContact OD1-N 3.07Å; D133-R135 IonicContact OD1-NE 3.73Å; D133-R135 PolarHBondContact OD1-NE 3.44Å; D133-R135 IonicContact OD1-NH2 2.73Å; D133-R135 IonicContact OD2-CZ 3.66Å; D133-R135 IonicContact OD2-NE 3.07Å; D133-R135 PolarHBondContact OD2-NE 3.09Å; D133-R135 IonicContact OD2-NH2 2.66Å; D133-R135 PolarHBondContact OD2-NH2 3.42Å; R135-L164 HydrophobicContact CG-CD1 4.02Å; R135-W420 VanDerWaalsContact O-CD1 3.26Å
136	N	78.5	Confident	84.4	Confident	93 Å²	93	61 Å²	61	50%	0.497	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-84.5	-2.7	175.9	-67.4	-15.4	0	0	0	112.3	D133 L134 S138	D133-N136 PolarHBondContact O-N 3.39Å; L134-N136 VanDerWaalsContact C-N 3.29Å; L134-N136 PolarHBondContact O-N 3.42Å; N136-S138 PolarHBondContact O-N 2.9Å
137	H	80.5	Confident	85.6	Confident	4 Å²	4	59 Å²	59	2%	0.019	28%	0.277	C	S	.	.			trans	-60.1	129.8	177.7	-175	65.1	0	0	0	110.7	L120 L134 F163	L120-H137 PolarHBondContact O-NE2 3.26Å; L134-H137 WeakPolarHBondContact O-CB 3.48Å; L134-H137 PolarHBondContact O-N 2.94Å; H137-F163 HydrophobicContact CB-CD1 3.79Å; H137-F163 HydrophobicContact CB-CE1 4.14Å; H137-F163 AromaticContact CD2-CD1 3.71Å; H137-F163 AromaticContact CD2-CE1 3.89Å; H137-F163 AromaticContact CG-CD1 3.85Å; H137-F163 AromaticContact CG-CE1 3.9Å
138	S	79.9	Confident	86.2	Confident	71 Å²	71	53.5 Å²	53.5	50%	0.497	25%	0.252	S	S	.	.			trans	-100.6	89.4	177.3	-61.6	0	0	0	0	108.6	N136	N136-S138 PolarHBondContact O-N 2.9Å
139	S	83	Confident	86.8	Confident	18 Å²	18	53 Å²	53	13%	0.126	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-74	154	174.5	50.3	0	0	0	0	111.2	V141 M165 P419	S139-V141 VanDerWaalsContact C-N 3.28Å; S139-V141 WeakPolarHBondContact CB-O 3.35Å; S139-V141 PolarHBondContact O-N 3.23Å; S139-V141 PolarHBondContact OG-O 3.46Å; S139-M165 VanDerWaalsContact CB-CE 3.47Å; S139-M165 WeakPolarHBondContact OG-CE 3.44Å; S139-P419 WeakPolarHBondContact OG-CG 3.2Å
140	K	84.6	Confident	87.7	Confident	66 Å²	66	48.1 Å²	48.1	29%	0.287	23%	0.227	S	C	.	.	S	Bend	trans	-63.3	-33.9	174.5	179.8	178.2	179.6	-172.1	0	113.3	L40 E102 A121 Q123	L40-K140 HydrophobicContact CD1-CD 4.47Å; L40-K140 HydrophobicContact CD1-CG 3.85Å; E102-K140 VanDerWaalsContact OE1-CE 3.25Å; E102-K140 WeakPolarHBondContact OE1-CE 3.49Å; E102-K140 IonicContact OE1-NZ 3.19Å; E102-K140 PolarHBondContact OE1-NZ 2.98Å; E102-K140 WeakPolarHBondContact OE2-CD 3.35Å; E102-K140 WeakPolarHBondContact OE2-CE 3.43Å; E102-K140 IonicContact OE2-NZ 3.89Å; E102-K140 PolarHBondContact OE2-NZ 3.4Å; A121-K140 PolarHBondContact O-N 3.19Å; Q123-K140 HydrophobicContact CB-CB 4.25Å; Q123-K140 HydrophobicContact CB-CG 4.44Å; Q123-K140 HydrophobicContact CG-CG 4.32Å
141	V	92.6	Very high	88.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.205	C	C	.	.			trans	-111.1	152.7	179.2	-57.1	0	0	0	0	110.6	L40 A42 V119 S139 M165	L40-V141 HydrophobicContact CB-CB 4.44Å; L40-V141 HydrophobicContact CB-CG1 3.9Å; L40-V141 CarbonylContact O-C 3.56Å; L40-V141 WeakPolarHBondContact O-CA 3.32Å; L40-V141 VanDerWaalsContact O-CB 3.31Å; L40-V141 WeakPolarHBondContact O-CB 3.32Å; A42-V141 HydrophobicContact CB-CB 4.34Å; A42-V141 HydrophobicContact CB-CG1 4.18Å; A42-V141 HydrophobicContact CB-CG2 4.01Å; V119-V141 HydrophobicContact CB-CG2 4.17Å; V119-V141 HydrophobicContact CG1-CG2 3.31Å; S139-V141 VanDerWaalsContact C-N 3.28Å; S139-V141 WeakPolarHBondContact CB-O 3.35Å; S139-V141 PolarHBondContact O-N 3.23Å; S139-V141 PolarHBondContact OG-O 3.46Å; V141-M165 HydrophobicContact CG2-CE 4.45Å
142	V	94.1	Very high	89.3	Confident	11 Å²	11	40.7 Å²	40.7	7%	0.067	19%	0.192	C	C	.	.	S	Bend	trans	-98.9	-21.3	-176.8	-63	0	0	0	0	113.9	F39 L40 L41 P166 L401 V417 L422	F39-V142 HydrophobicContact CB-CG2 4.25Å; F39-V142 HydrophobicContact CD1-CG1 4.03Å; L40-V142 PolarHBondContact O-N 3.07Å; L41-V142 HydrophobicContact CD2-CG2 3.82Å; V142-P166 WeakPolarHBondContact O-CD 3.47Å; V142-L401 HydrophobicContact CG2-CD1 4.33Å; V142-V417 HydrophobicContact CG1-CB 4.34Å; V142-V417 HydrophobicContact CG1-CG1 4.18Å; V142-L422 HydrophobicContact CB-CD2 3.83Å; V142-L422 HydrophobicContact CG2-CD2 3.77Å
143	A	97.3	Very high	90.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	161.1	175.8	0	0	0	0	0	110.7	L41 A42 P166 V397 L422	L41-A143 HydrophobicContact CD2-CB 4.22Å; A42-A143 PolarHBondContact N-O 3.31Å; A143-P166 WeakPolarHBondContact CA-O 3.42Å; A143-P166 HydrophobicContact CB-CB 4.07Å; A143-P166 HydrophobicContact CB-CG 4.25Å; A143-V397 HydrophobicContact CB-CG1 3.84Å; A143-V397 HydrophobicContact CB-CG2 3.95Å; A143-L422 HydrophobicContact CB-CD2 4.23Å
144	L	98.3	Very high	91	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.2	176.6	-167.2	155.3	0	0	0	110.6	A42 L44 V119 T156 L160 P166 L167 V168	A42-L144 HydrophobicContact CB-CB 4.25Å; A42-L144 HydrophobicContact CB-CD1 4.18Å; A42-L144 HydrophobicContact CB-CG 3.91Å; A42-L144 CarbonylContact O-C 3.51Å; A42-L144 WeakPolarHBondContact O-CA 3.43Å; L44-L144 HydrophobicContact CB-CD2 4.44Å; L44-L144 HydrophobicContact CD1-CD1 3.82Å; L44-L144 HydrophobicContact CD1-CD2 3.68Å; L44-L144 HydrophobicContact CD1-CG 4.32Å; L44-L144 HydrophobicContact CD2-CD1 4.41Å; L44-L144 HydrophobicContact CG-CD1 4Å; L44-L144 HydrophobicContact CG-CD2 3.69Å; L44-L144 HydrophobicContact CG-CG 4.19Å; V119-L144 HydrophobicContact CB-CD1 4.34Å; V119-L144 HydrophobicContact CG1-CD1 3.87Å; V119-L144 HydrophobicContact CG2-CD1 4.04Å; L144-T156 HydrophobicContact CD1-CG2 4.12Å; L144-T156 HydrophobicContact CD2-CG2 4.46Å; L144-L160 HydrophobicContact CB-CD1 4.15Å; L144-L160 HydrophobicContact CD1-CD1 4.09Å; L144-P166 PolarHBondContact N-O 3.46Å; L144-L167 HydrophobicContact CB-CD1 4Å; L144-L167 HydrophobicContact CD2-CD1 3.19Å; L144-L167 HydrophobicContact CG-CD1 4.08Å; L144-L167 CarbonylContact O-C 3.57Å; L144-L167 WeakPolarHBondContact O-CA 3.36Å; L144-V168 PolarHBondContact O-N 3.11Å
145	I	98.7	Very high	91.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.4	174.1	-51.8	-58.9	0	0	0	109.5	A42 G43 L44 M80 V168 Y170 V390 A393 V394 V397	A42-I145 PolarHBondContact O-N 3.02Å; G43-I145 WeakPolarHBondContact CA-O 3.18Å; L44-I145 PolarHBondContact N-O 2.91Å; M80-I145 HydrophobicContact CE-CB 4.36Å; M80-I145 HydrophobicContact CE-CG1 4.02Å; M80-I145 HydrophobicContact SD-CB 4.11Å; M80-I145 HydrophobicContact SD-CG1 4.31Å; I145-V168 WeakPolarHBondContact CA-O 3.41Å; I145-V168 HydrophobicContact CD1-CB 4.18Å; I145-Y170 HydrophobicContact CG2-CD1 4.04Å; I145-V390 HydrophobicContact CG2-CG1 4.29Å; I145-A393 HydrophobicContact CD1-CB 3.98Å; I145-A393 HydrophobicContact CG2-CB 3.99Å; I145-V394 HydrophobicContact CG1-CG2 4.16Å; I145-V397 HydrophobicContact CD1-CG2 3.87Å
146	G	97.7	Very high	92.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.12	C	C	.	.			trans	99.6	-163.6	-176.1	0	0	0	0	0	113.7	L167 V168	G146-L167 WeakPolarHBondContact O-CD1 3.31Å; G146-V168 PolarHBondContact N-O 3.28Å
147	P	97.2	Very high	93.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.			cis	-75	-176.8	-12	34.3	-34.2	0	0	0	112.2	L44 V106 H152 A153 S169	L44-P147 HydrophobicContact CB-CB 4.02Å; V106-P147 HydrophobicContact CG2-CB 4.13Å; P147-H152 HydrophobicContact CB-CB 4.02Å; P147-H152 HydrophobicContact CG-CB 3.5Å; P147-H152 VanDerWaalsContact CG-CB 3.5Å; P147-A153 HydrophobicContact CG-CB 4Å; P147-S169 PolarHBondContact O-OG 3.47Å
148	D	93.9	Very high	94.3	Very high	20 Å²	20	19 Å²	19	11%	0.107	12%	0.116	C	C	.	.	S	Bend	trans	-77.1	-45.6	176	59.6	-27.2	0	0	0	112.7	S46 Y170 E171 A172 R278	S46-D148 PolarHBondContact OG-OD1 2.86Å; S46-D148 PolarHBondContact OG-OD2 3.48Å; D148-Y170 HydrophobicContact CB-CD2 4.5Å; D148-Y170 HydrophobicContact CB-CE2 3.51Å; D148-Y170 PolarHBondContact N-OH 3.29Å; D148-E171 HydrophobicContact CB-CB 4.18Å; D148-E171 WeakPolarHBondContact CB-OE2 3.39Å; D148-E171 CarbonylContact O-C 3.57Å; D148-E171 VanDerWaalsContact O-C 3.27Å; D148-A172 PolarHBondContact O-N 2.95Å; D148-R278 IonicContact OD2-NH2 3.43Å
149	N	91.9	Very high	95	Very high	46 Å²	46	18.5 Å²	18.5	25%	0.246	11%	0.107	C	C	.	.	S	Bend	trans	-77.1	133.1	-175.6	-176.2	-30.9	0	0	0	112	D151 H152 A153	N149-D151 PolarHBondContact O-N 2.8Å; N149-D151 WeakPolarHBondContact OD1-CB 3.36Å; N149-D151 PolarHBondContact OD1-N 2.75Å; N149-H152 HydrophobicContact CB-CB 4.13Å; N149-H152 PolarHBondContact O-N 3.47Å; N149-A153 WeakPolarHBondContact O-CB 3.45Å; N149-A153 PolarHBondContact O-N 3.25Å
150	T	95.7	Very high	95.6	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.031	10%	0.101	C	C	.	.	H	α-helix	trans	-55.4	-45.5	175.1	-73.9	0	0	0	0	113.2	H152 A153 V154 L177 D220	T150-H152 VanDerWaalsContact C-N 3.33Å; T150-H152 PolarHBondContact O-N 3Å; T150-A153 PolarHBondContact O-N 2.71Å; T150-V154 HydrophobicContact CG2-CG2 4.32Å; T150-V154 WeakPolarHBondContact O-CG2 3.42Å; T150-V154 PolarHBondContact O-N 3.37Å; T150-L177 HydrophobicContact CG2-CD1 4.44Å; T150-D220 HydrophobicContact CG2-CB 3.72Å
151	D	94.1	Very high	96.1	Very high	36 Å²	36	15.1 Å²	15.1	19%	0.193	9%	0.092	C	C	.	.	H	α-helix	trans	-63	-44.4	-177.7	-60.6	-41.8	0	0	0	109.8	N149 A153 V154 T155 G219 D220	N149-D151 PolarHBondContact O-N 2.8Å; N149-D151 WeakPolarHBondContact OD1-CB 3.36Å; N149-D151 PolarHBondContact OD1-N 2.75Å; D151-A153 VanDerWaalsContact C-N 3.32Å; D151-A153 PolarHBondContact O-N 3.44Å; D151-V154 PolarHBondContact O-N 2.95Å; D151-T155 PolarHBondContact O-N 2.93Å; D151-T155 VanDerWaalsContact O-N 3.07Å; D151-T155 PolarHBondContact O-OG1 3.47Å; D151-G219 WeakPolarHBondContact OD2-CA 3.26Å; D151-D220 WeakPolarHBondContact OD1-CB 3.39Å; D151-D220 PolarHBondContact OD1-N 3.43Å
152	H	95.2	Very high	96	Very high	8 Å²	8	18.4 Å²	18.4	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-39.4	175.5	-64.8	3.1	0	0	0	111.3	V106 S108 E109 N112 P147 N149 T150 T156	V106-H152 PolarHBondContact O-CD2 3.5Å; V106-H152 PolarHBondContact O-NE2 2.94Å; S108-H152 VanDerWaalsContact C-CE1 3.48Å; E109-H152 VanDerWaalsContact CD-ND1 3.27Å; E109-H152 PolarHBondContact N-CE1 2.78Å; E109-H152 WeakPolarHBondContact OE1-CA 3.5Å; E109-H152 IonicContact OE1-CE1 2.72Å; E109-H152 PolarHBondContact OE1-CE1 3.02Å; E109-H152 IonicContact OE1-CG 2.72Å; E109-H152 PolarHBondContact OE1-N 2.91Å; E109-H152 IonicContact OE1-ND1 2.79Å; E109-H152 PolarHBondContact OE1-ND1 3.23Å; E109-H152 IonicContact OE2-ND1 2.59Å; N112-H152 HydrophobicContact CB-CB 4.38Å; N112-H152 WeakPolarHBondContact ND2-CA 3.3Å; N112-H152 PolarHBondContact ND2-O 2.84Å; P147-H152 HydrophobicContact CB-CB 4.02Å; P147-H152 HydrophobicContact CG-CB 3.5Å; P147-H152 VanDerWaalsContact CG-CB 3.5Å; N149-H152 HydrophobicContact CB-CB 4.13Å; N149-H152 PolarHBondContact O-N 3.47Å; T150-H152 VanDerWaalsContact C-N 3.33Å; T150-H152 PolarHBondContact O-N 3Å; H152-T156 VanDerWaalsContact O-CB 3.3Å; H152-T156 WeakPolarHBondContact O-CB 3.49Å; H152-T156 PolarHBondContact O-N 2.8Å; H152-T156 PolarHBondContact O-OG1 3.13Å
153	A	98	Very high	95.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.6	-38.5	178	0	0	0	0	0	112	P147 N149 T150 D151 T156 A157 A172 L177 F186	P147-A153 HydrophobicContact CG-CB 4Å; N149-A153 WeakPolarHBondContact O-CB 3.45Å; N149-A153 PolarHBondContact O-N 3.25Å; T150-A153 PolarHBondContact O-N 2.71Å; D151-A153 VanDerWaalsContact C-N 3.32Å; D151-A153 PolarHBondContact O-N 3.44Å; A153-T156 PolarHBondContact O-N 2.93Å; A153-A157 WeakPolarHBondContact O-CB 3.33Å; A153-A157 PolarHBondContact O-N 3.45Å; A153-A172 HydrophobicContact CB-CB 3.41Å; A153-A172 VanDerWaalsContact CB-CB 3.41Å; A153-L177 HydrophobicContact CB-CD1 4.03Å; A153-L177 HydrophobicContact CB-CD2 4.42Å; A153-F186 HydrophobicContact CB-CE2 4.28Å
154	V	97.9	Very high	95.7	Very high	26 Å²	26	20.6 Å²	20.6	16%	0.158	12%	0.123	C	C	.	.	H	α-helix	trans	-61.9	-49.2	175	166.1	0	0	0	0	110.4	T150 D151 A158 I176 L177 F183	T150-V154 HydrophobicContact CG2-CG2 4.32Å; T150-V154 WeakPolarHBondContact O-CG2 3.42Å; T150-V154 PolarHBondContact O-N 3.37Å; D151-V154 PolarHBondContact O-N 2.95Å; V154-A158 WeakPolarHBondContact O-CB 3.13Å; V154-A158 PolarHBondContact O-N 2.68Å; V154-I176 HydrophobicContact CG2-CG2 3.73Å; V154-L177 HydrophobicContact CB-CD2 4.48Å; V154-L177 HydrophobicContact CG2-CD2 3.75Å; V154-L177 HydrophobicContact CG2-CG 4.09Å; V154-F183 HydrophobicContact CG1-CE1 4.45Å; V154-F183 HydrophobicContact CG1-CZ 4.09Å
155	T	96.9	Very high	95.6	Very high	42 Å²	42	20.6 Å²	20.6	26%	0.258	12%	0.123	S	C	.	.	H	α-helix	trans	-60.1	-48.8	177	-60.8	0	0	0	0	111.3	E109 V113 D151 A158 L159	E109-T155 WeakPolarHBondContact OE2-CB 3.4Å; E109-T155 PolarHBondContact OE2-OG1 3.47Å; V113-T155 HydrophobicContact CG2-CG2 3.55Å; D151-T155 PolarHBondContact O-N 2.93Å; D151-T155 VanDerWaalsContact O-N 3.07Å; D151-T155 PolarHBondContact O-OG1 3.47Å; T155-A158 PolarHBondContact O-N 2.85Å; T155-L159 HydrophobicContact CG2-CD1 4.34Å; T155-L159 WeakPolarHBondContact O-CG 3.46Å; T155-L159 PolarHBondContact O-N 3.4Å; T155-L159 VanDerWaalsContact O-N 3.16Å
156	T	97.9	Very high	95.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.6	-48.2	-179.6	-56.7	0	0	0	0	111.2	L44 N112 T116 L144 H152 A153 A158 L159 L160 L167	L44-T156 HydrophobicContact CD1-CG2 3.96Å; N112-T156 PolarHBondContact ND2-OG1 2.86Å; N112-T156 PolarHBondContact OD1-OG1 3.43Å; T116-T156 HydrophobicContact CG2-CG2 4Å; T116-T156 PolarHBondContact OG1-OG1 3.03Å; L144-T156 HydrophobicContact CD1-CG2 4.12Å; L144-T156 HydrophobicContact CD2-CG2 4.46Å; H152-T156 VanDerWaalsContact O-CB 3.3Å; H152-T156 WeakPolarHBondContact O-CB 3.49Å; H152-T156 PolarHBondContact O-N 2.8Å; H152-T156 PolarHBondContact O-OG1 3.13Å; A153-T156 PolarHBondContact O-N 2.93Å; T156-A158 VanDerWaalsContact C-N 3.31Å; T156-A158 PolarHBondContact O-N 3.39Å; T156-L159 PolarHBondContact O-N 2.9Å; T156-L160 HydrophobicContact CG2-CD1 3.89Å; T156-L160 HydrophobicContact CG2-CG 4.26Å; T156-L160 WeakPolarHBondContact O-CB 3.45Å; T156-L160 WeakPolarHBondContact O-CG 3.21Å; T156-L160 PolarHBondContact O-N 2.89Å; T156-L167 HydrophobicContact CG2-CD1 4.02Å; T156-L167 HydrophobicContact CG2-CD2 3.93Å
157	A	98.1	Very high	95.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60	-42.5	179.7	0	0	0	0	0	111.3	A153 L159 L160 S161 L167 L177 F183 F186	A153-A157 WeakPolarHBondContact O-CB 3.33Å; A153-A157 PolarHBondContact O-N 3.45Å; A157-L159 VanDerWaalsContact C-N 3.35Å; A157-L159 PolarHBondContact O-N 3.3Å; A157-L160 PolarHBondContact O-N 3.49Å; A157-S161 WeakPolarHBondContact O-CB 3.36Å; A157-S161 PolarHBondContact O-N 3.02Å; A157-S161 PolarHBondContact O-OG 2.83Å; A157-L167 VanDerWaalsContact CA-CD2 3.49Å; A157-L167 HydrophobicContact CB-CD2 3.62Å; A157-L177 HydrophobicContact CB-CD2 4.28Å; A157-F183 HydrophobicContact CB-CB 4.35Å; A157-F183 HydrophobicContact CB-CD1 3.46Å; A157-F183 VanDerWaalsContact CB-CD1 3.46Å; A157-F183 HydrophobicContact CB-CE1 4.05Å; A157-F183 HydrophobicContact CB-CG 4.15Å; A157-F186 HydrophobicContact CB-CB 4.4Å; A157-F186 HydrophobicContact CB-CD2 4.14Å
158	A	97.1	Very high	95.6	Very high	51 Å²	51	20.6 Å²	20.6	42%	0.421	12%	0.123	S	C	.	.	H	α-helix	trans	-61	-42.8	177.6	0	0	0	0	0	112.1	V154 T155 T156 P162 F183	V154-A158 WeakPolarHBondContact O-CB 3.13Å; V154-A158 PolarHBondContact O-N 2.68Å; T155-A158 PolarHBondContact O-N 2.85Å; T156-A158 VanDerWaalsContact C-N 3.31Å; T156-A158 PolarHBondContact O-N 3.39Å; A158-P162 WeakPolarHBondContact O-CD 3.48Å; A158-F183 HydrophobicContact CB-CE1 4.22Å
159	L	94.8	Very high	95.8	Very high	60 Å²	60	19.6 Å²	19.6	31%	0.314	12%	0.118	S	C	.	.	H	α-helix	trans	-69.7	-35.1	178.8	-69.5	174	0	0	0	112.9	V113 T116 T155 T156 A157	V113-L159 HydrophobicContact CG1-CD1 4.33Å; V113-L159 HydrophobicContact CG2-CD1 4.45Å; T116-L159 HydrophobicContact CG2-CB 3.73Å; T116-L159 HydrophobicContact CG2-CD1 3.86Å; T116-L159 HydrophobicContact CG2-CG 4.47Å; T155-L159 HydrophobicContact CG2-CD1 4.34Å; T155-L159 WeakPolarHBondContact O-CG 3.46Å; T155-L159 PolarHBondContact O-N 3.4Å; T155-L159 VanDerWaalsContact O-N 3.16Å; T156-L159 PolarHBondContact O-N 2.9Å; A157-L159 VanDerWaalsContact C-N 3.35Å; A157-L159 PolarHBondContact O-N 3.3Å
160	L	95	Very high	96.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-80.6	-25.7	-179.5	-70.4	-171.6	0	0	0	113.8	T116 L120 L144 T156 A157 F163 L164 M165 L167	T116-L160 HydrophobicContact CG2-CD2 3.94Å; T116-L160 HydrophobicContact CG2-CG 4.08Å; L120-L160 HydrophobicContact CD1-CD2 4.03Å; L120-L160 HydrophobicContact CD2-CD2 3.65Å; L120-L160 HydrophobicContact CG-CD2 3.72Å; L144-L160 HydrophobicContact CB-CD1 4.15Å; L144-L160 HydrophobicContact CD1-CD1 4.09Å; T156-L160 HydrophobicContact CG2-CD1 3.89Å; T156-L160 HydrophobicContact CG2-CG 4.26Å; T156-L160 WeakPolarHBondContact O-CB 3.45Å; T156-L160 WeakPolarHBondContact O-CG 3.21Å; T156-L160 PolarHBondContact O-N 2.89Å; A157-L160 PolarHBondContact O-N 3.49Å; L160-F163 PolarHBondContact O-N 3.46Å; L160-L164 PolarHBondContact O-N 2.86Å; L160-M165 HydrophobicContact CB-CB 4.11Å; L160-M165 HydrophobicContact CD1-CB 4.34Å; L160-M165 HydrophobicContact CD1-CG 4.09Å; L160-M165 HydrophobicContact CD2-CB 4.02Å; L160-M165 HydrophobicContact CD2-CG 4.05Å; L160-M165 HydrophobicContact CG-CB 4.38Å; L160-M165 PolarHBondContact O-N 3.37Å; L160-L167 HydrophobicContact CD1-CB 4.02Å; L160-L167 HydrophobicContact CD1-CD1 4.17Å; L160-L167 HydrophobicContact CD1-CD2 4.31Å; L160-L167 HydrophobicContact CD1-CG 4.43Å
161	S	94.5	Very high	96.1	Very high	13 Å²	13	17.7 Å²	17.7	9%	0.091	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-56.1	-42.5	-173.2	-71.9	0	0	0	0	114.9	A157 F163 L164 K182 P184	A157-S161 WeakPolarHBondContact O-CB 3.36Å; A157-S161 PolarHBondContact O-N 3.02Å; A157-S161 PolarHBondContact O-OG 2.83Å; S161-F163 PolarHBondContact O-N 2.86Å; S161-L164 PolarHBondContact O-N 3.33Å; S161-L164 VanDerWaalsContact O-N 3.08Å; S161-K182 PolarHBondContact OG-O 3.14Å; S161-P184 WeakPolarHBondContact OG-CD 3.29Å
162	P	91.1	Very high	96.3	Very high	68 Å²	68	16 Å²	16	44%	0.442	10%	0.098	S	C	.	.	G	3₁₀ helix	trans	-61.8	-26.6	177.3	-24	35.1	0	0	0	114.1	L134 A158	L134-P162 WeakPolarHBondContact CB-O 3.3Å; L134-P162 HydrophobicContact CD1-CB 3.58Å; A158-P162 WeakPolarHBondContact O-CD 3.48Å
163	F	91.7	Very high	96.3	Very high	12 Å²	12	15.6 Å²	15.6	5%	0.053	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-91.3	-6.3	179.3	-57.8	-88.7	0	0	0	112.6	L120 L128 L134 H137 L160 S161 M165	L120-F163 HydrophobicContact CD1-CD2 3.92Å; L120-F163 HydrophobicContact CD1-CE2 3.7Å; L120-F163 HydrophobicContact CD1-CZ 4.39Å; L120-F163 HydrophobicContact CD2-CB 4.11Å; L120-F163 HydrophobicContact CD2-CD1 4.21Å; L120-F163 HydrophobicContact CD2-CD2 3.57Å; L120-F163 HydrophobicContact CD2-CE2 4.02Å; L120-F163 HydrophobicContact CD2-CG 3.69Å; L120-F163 HydrophobicContact CD2-CZ 4.5Å; L120-F163 HydrophobicContact CG-CD2 4.41Å; L120-F163 HydrophobicContact CG-CE2 4.46Å; L128-F163 HydrophobicContact CD1-CE1 4.04Å; L128-F163 HydrophobicContact CD1-CZ 3.9Å; L128-F163 HydrophobicContact CD2-CZ 4.28Å; L128-F163 HydrophobicContact CG-CZ 4.49Å; L134-F163 HydrophobicContact CB-CD1 3.96Å; L134-F163 HydrophobicContact CB-CE1 4.08Å; L134-F163 HydrophobicContact CD1-CE1 4.47Å; L134-F163 HydrophobicContact CD1-CZ 4.33Å; L134-F163 HydrophobicContact CD2-CD1 4.5Å; L134-F163 HydrophobicContact CD2-CE1 3.77Å; L134-F163 HydrophobicContact CD2-CZ 4.12Å; L134-F163 HydrophobicContact CG-CE1 4.32Å; H137-F163 HydrophobicContact CB-CD1 3.79Å; H137-F163 HydrophobicContact CB-CE1 4.14Å; H137-F163 AromaticContact CD2-CD1 3.71Å; H137-F163 AromaticContact CD2-CE1 3.89Å; H137-F163 AromaticContact CG-CD1 3.85Å; H137-F163 AromaticContact CG-CE1 3.9Å; L160-F163 PolarHBondContact O-N 3.46Å; S161-F163 PolarHBondContact O-N 2.86Å; F163-M165 PolarHBondContact O-N 3.34Å
164	L	94.4	Very high	96.2	Very high	45 Å²	45	15.6 Å²	15.6	24%	0.236	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	34.9	-171.1	-61	176.2	0	0	0	112.6	R135 L160 S161 P166 P184 P419 W420 L423	R135-L164 HydrophobicContact CG-CD1 4.02Å; L160-L164 PolarHBondContact O-N 2.86Å; S161-L164 PolarHBondContact O-N 3.33Å; S161-L164 VanDerWaalsContact O-N 3.08Å; L164-P166 WeakPolarHBondContact O-CD 3.48Å; L164-P184 HydrophobicContact CD2-CB 3.98Å; L164-P184 HydrophobicContact CD2-CG 3.82Å; L164-P419 CarbonylContact O-C 3.51Å; L164-W420 HydrophobicContact CB-CB 3.75Å; L164-W420 HydrophobicContact CD1-CB 3.94Å; L164-L423 HydrophobicContact CB-CD2 4.22Å
165	M	95	Very high	96.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.108	C	C	.	.			trans	-71.2	122.5	176.4	179.2	82.4	65.6	0	0	109.5	L120 S139 V141 L160 F163 L167 S185 P419	L120-M165 HydrophobicContact CD2-CE 4.09Å; S139-M165 VanDerWaalsContact CB-CE 3.47Å; S139-M165 WeakPolarHBondContact OG-CE 3.44Å; V141-M165 HydrophobicContact CG2-CE 4.45Å; L160-M165 HydrophobicContact CB-CB 4.11Å; L160-M165 HydrophobicContact CD1-CB 4.34Å; L160-M165 HydrophobicContact CD1-CG 4.09Å; L160-M165 HydrophobicContact CD2-CB 4.02Å; L160-M165 HydrophobicContact CD2-CG 4.05Å; L160-M165 HydrophobicContact CG-CB 4.38Å; L160-M165 PolarHBondContact O-N 3.37Å; F163-M165 PolarHBondContact O-N 3.34Å; M165-L167 PolarHBondContact O-N 2.87Å; M165-S185 WeakPolarHBondContact O-CB 3.19Å; M165-S185 PolarHBondContact O-OG 3.26Å; M165-P419 HydrophobicContact CB-CB 4.27Å; M165-P419 HydrophobicContact CE-CB 4.27Å; M165-P419 HydrophobicContact CE-CG 3.8Å; M165-P419 HydrophobicContact SD-CB 3.7Å; M165-P419 HydrophobicContact SD-CG 3.76Å
166	P	97.7	Very high	96	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.109	C	C	.	.			trans	-59.2	125.7	176.1	-12.9	22	0	0	0	110.9	V142 A143 L144 L164 P419 L422 L423 I426	V142-P166 WeakPolarHBondContact O-CD 3.47Å; A143-P166 WeakPolarHBondContact CA-O 3.42Å; A143-P166 HydrophobicContact CB-CB 4.07Å; A143-P166 HydrophobicContact CB-CG 4.25Å; L144-P166 PolarHBondContact N-O 3.46Å; L164-P166 WeakPolarHBondContact O-CD 3.48Å; P166-P419 WeakPolarHBondContact CD-O 3.25Å; P166-P419 WeakPolarHBondContact CG-O 3.07Å; P166-L422 HydrophobicContact CG-CB 4.4Å; P166-L422 HydrophobicContact CG-CG 4.29Å; P166-L423 HydrophobicContact CB-CD1 4.03Å; P166-L423 HydrophobicContact CG-CB 3.92Å; P166-L423 HydrophobicContact CG-CD1 4.3Å; P166-I426 HydrophobicContact CB-CD1 3.62Å; P166-I426 HydrophobicContact CG-CD1 3.93Å
167	L	98.3	Very high	96	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	113.1	174.9	174.5	61	0	0	0	107.8	L144 G146 T156 A157 L160 M165 S185 F186 L187	L144-L167 HydrophobicContact CB-CD1 4Å; L144-L167 HydrophobicContact CD2-CD1 3.19Å; L144-L167 HydrophobicContact CG-CD1 4.08Å; L144-L167 CarbonylContact O-C 3.57Å; L144-L167 WeakPolarHBondContact O-CA 3.36Å; G146-L167 WeakPolarHBondContact O-CD1 3.31Å; T156-L167 HydrophobicContact CG2-CD1 4.02Å; T156-L167 HydrophobicContact CG2-CD2 3.93Å; A157-L167 VanDerWaalsContact CA-CD2 3.49Å; A157-L167 HydrophobicContact CB-CD2 3.62Å; L160-L167 HydrophobicContact CD1-CB 4.02Å; L160-L167 HydrophobicContact CD1-CD1 4.17Å; L160-L167 HydrophobicContact CD1-CD2 4.31Å; L160-L167 HydrophobicContact CD1-CG 4.43Å; M165-L167 PolarHBondContact O-N 2.87Å; L167-S185 PolarHBondContact N-O 3.37Å; L167-F186 HydrophobicContact CD2-CD2 3.77Å; L167-F186 HydrophobicContact CD2-CE2 4.38Å; L167-F186 HydrophobicContact CG-CD2 4Å; L167-F186 HydrophobicContact CG-CE2 4.5Å; L167-F186 CarbonylContact O-C 3.4Å; L167-F186 WeakPolarHBondContact O-CA 3.46Å; L167-L187 PolarHBondContact O-N 3.23Å; L167-L187 VanDerWaalsContact O-O 3.07Å
168	V	98.6	Very high	95.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	98.3	178	-167.4	0	0	0	0	109	L144 I145 G146 L187 T189 A393 V397	L144-V168 PolarHBondContact O-N 3.11Å; I145-V168 WeakPolarHBondContact CA-O 3.41Å; I145-V168 HydrophobicContact CD1-CB 4.18Å; G146-V168 PolarHBondContact N-O 3.28Å; V168-L187 WeakPolarHBondContact CA-O 3.37Å; V168-L187 HydrophobicContact CG2-CB 4.35Å; V168-L187 HydrophobicContact CG2-CD1 4.48Å; V168-T189 HydrophobicContact CG1-CG2 4.12Å; V168-A393 HydrophobicContact CB-CB 4.05Å; V168-A393 HydrophobicContact CG1-CB 3.56Å; V168-V397 HydrophobicContact CG2-CG2 4.21Å
169	S	98.4	Very high	95.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	140.5	177.2	174	0	0	0	0	111.2	P147 E171 A172 L187 R188 T189	P147-S169 PolarHBondContact O-OG 3.47Å; S169-E171 PolarHBondContact OG-N 3.44Å; S169-A172 WeakPolarHBondContact OG-CB 3.42Å; S169-A172 PolarHBondContact OG-N 2.8Å; S169-L187 PolarHBondContact N-O 3.17Å; S169-R188 CarbonylContact O-C 3.59Å; S169-R188 WeakPolarHBondContact O-CA 3.33Å; S169-R188 WeakPolarHBondContact O-CB 3.34Å; S169-T189 PolarHBondContact O-N 3.42Å
170	Y	97.3	Very high	95.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-95.8	-13.2	-178.1	50.8	-102.2	0	0	0	113.8	L44 F45 L76 I145 D148 T189 I190 N389 V390	L44-Y170 PolarHBondContact O-OH 3.44Å; F45-Y170 AromaticContact CD1-CE1 3.94Å; F45-Y170 HydrophobicContact CD1-CE1 3.94Å; F45-Y170 AromaticContact CD1-CZ 3.82Å; F45-Y170 VanDerWaalsContact CD1-OH 3.3Å; F45-Y170 WeakPolarHBondContact CD1-OH 3.39Å; F45-Y170 HydrophobicContact CE1-CD1 4.39Å; F45-Y170 AromaticContact CE1-CE1 3.57Å; F45-Y170 HydrophobicContact CE1-CE1 3.57Å; F45-Y170 AromaticContact CE1-CZ 3.9Å; F45-Y170 HydrophobicContact CZ-CE1 4.39Å; L76-Y170 HydrophobicContact CD1-CD2 3.7Å; L76-Y170 HydrophobicContact CD1-CE2 3.17Å; L76-Y170 HydrophobicContact CG-CE2 4.48Å; I145-Y170 HydrophobicContact CG2-CD1 4.04Å; D148-Y170 HydrophobicContact CB-CD2 4.5Å; D148-Y170 HydrophobicContact CB-CE2 3.51Å; D148-Y170 PolarHBondContact N-OH 3.29Å; Y170-T189 WeakPolarHBondContact CA-OG1 3.32Å; Y170-I190 WeakPolarHBondContact O-CB 3.41Å; Y170-N389 WeakPolarHBondContact O-CB 3.34Å; Y170-N389 PolarHBondContact O-ND2 2.96Å; Y170-V390 HydrophobicContact CD1-CG2 3.66Å; Y170-V390 HydrophobicContact CD2-CG2 4Å; Y170-V390 HydrophobicContact CE1-CG2 4.17Å; Y170-V390 HydrophobicContact CE2-CG2 4.49Å; Y170-V390 HydrophobicContact CG-CG2 3.56Å
171	E	96.5	Very high	95.7	Very high	10 Å²	10	29.6 Å²	29.6	5%	0.047	15%	0.151	C	C	.	.	S	Bend	trans	-144	-4.3	-177.7	-83.2	177.8	147.6	0	0	115.5	H72 D148 S169 S173 I190 R278 A386	H72-E171 IonicContact CE1-OE1 3.05Å; H72-E171 PolarHBondContact CE1-OE1 3.36Å; H72-E171 VanDerWaalsContact CE1-OE1 3.28Å; H72-E171 IonicContact CE1-OE2 3.38Å; H72-E171 IonicContact NE2-OE1 3.12Å; H72-E171 PolarHBondContact NE2-OE1 3.3Å; H72-E171 IonicContact NE2-OE2 3.41Å; H72-E171 PolarHBondContact NE2-OE2 3.34Å; D148-E171 HydrophobicContact CB-CB 4.18Å; D148-E171 WeakPolarHBondContact CB-OE2 3.39Å; D148-E171 CarbonylContact O-C 3.57Å; D148-E171 VanDerWaalsContact O-C 3.27Å; S169-E171 PolarHBondContact OG-N 3.44Å; E171-S173 PolarHBondContact O-N 3.05Å; E171-I190 HydrophobicContact CB-CD1 4.4Å; E171-I190 HydrophobicContact CG-CD1 4.31Å; E171-R278 IonicContact OE2-NH2 2.75Å; E171-A386 HydrophobicContact CG-CB 4.44Å; E171-A386 WeakPolarHBondContact OE1-CB 3.49Å
172	A	97.4	Very high	95.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.			trans	-79.6	91.6	176.3	0	0	0	0	0	112.9	D148 A153 S169 L177 F186 R188	D148-A172 PolarHBondContact O-N 2.95Å; A153-A172 HydrophobicContact CB-CB 3.41Å; A153-A172 VanDerWaalsContact CB-CB 3.41Å; S169-A172 WeakPolarHBondContact OG-CB 3.42Å; S169-A172 PolarHBondContact OG-N 2.8Å; A172-L177 HydrophobicContact CB-CD1 3.63Å; A172-F186 HydrophobicContact CB-CZ 4.42Å; A172-R188 WeakPolarHBondContact O-CD 3.32Å; A172-R188 PolarHBondContact O-NH1 3.5Å; A172-R188 VanDerWaalsContact O-NH1 3.07Å
173	S	96.1	Very high	96.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.			trans	-88.4	-10.4	-171.5	65	0	0	0	0	115.7	E171 R188 P191 D193 Y221 E302	E171-S173 PolarHBondContact O-N 3.05Å; S173-R188 PolarHBondContact O-NH1 2.95Å; S173-P191 WeakPolarHBondContact CB-O 3.3Å; S173-D193 WeakPolarHBondContact CB-OD1 3.44Å; S173-D193 PolarHBondContact O-N 3.43Å; S173-D193 PolarHBondContact OG-OD1 3.26Å; S173-D193 PolarHBondContact OG-OD2 3.06Å; S173-Y221 WeakPolarHBondContact OG-CD2 3.31Å; S173-Y221 VanDerWaalsContact OG-CE2 3.32Å; S173-Y221 WeakPolarHBondContact OG-CE2 3.15Å; S173-E302 PolarHBondContact OG-OE1 2.92Å
174	S	96.4	Very high	96.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	17%	0.169	C	C	.	.			trans	-57.4	141.7	-174.3	-178.4	0	0	0	0	114.2	I176 L177 R188 D193	S174-I176 PolarHBondContact O-N 2.75Å; S174-I176 WeakPolarHBondContact OG-CG2 3.42Å; S174-L177 PolarHBondContact O-N 3.32Å; S174-R188 PolarHBondContact O-NH1 3.49Å; S174-D193 VanDerWaalsContact CA-OD2 3.26Å; S174-D193 WeakPolarHBondContact CA-OD2 3.31Å; S174-D193 PolarHBondContact N-OD2 3.44Å
175	V	94.6	Very high	96.4	Very high	65 Å²	65	32.7 Å²	32.7	39%	0.394	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-65	-23.8	-178.2	-175.2	0	0	0	0	112.1	L177 S178 D193 K194	V175-L177 PolarHBondContact O-N 2.75Å; V175-S178 WeakPolarHBondContact O-CB 3.23Å; V175-S178 PolarHBondContact O-N 2.81Å; V175-S178 VanDerWaalsContact O-N 3.11Å; V175-D193 HydrophobicContact CG2-CB 3.95Å; V175-K194 HydrophobicContact CG2-CB 4.03Å
176	I	95.3	Very high	96.6	Very high	55 Å²	55	32.7 Å²	32.7	28%	0.282	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-58.3	-34.6	179.8	-162.4	173.5	0	0	0	112	V154 S174 S178 G179 F183 L224	V154-I176 HydrophobicContact CG2-CG2 3.73Å; S174-I176 PolarHBondContact O-N 2.75Å; S174-I176 WeakPolarHBondContact OG-CG2 3.42Å; I176-S178 VanDerWaalsContact C-N 3.29Å; I176-S178 PolarHBondContact O-N 3.36Å; I176-G179 PolarHBondContact O-N 3.17Å; I176-F183 HydrophobicContact CG1-CE2 4.28Å; I176-F183 WeakPolarHBondContact O-CD2 3.3Å; I176-F183 VanDerWaalsContact O-CE2 3.3Å; I176-F183 WeakPolarHBondContact O-CE2 3.21Å; I176-L224 HydrophobicContact CB-CD1 4.07Å; I176-L224 HydrophobicContact CD1-CD1 4.34Å; I176-L224 HydrophobicContact CG2-CD1 4.38Å
177	L	97.1	Very high	96.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-72.7	-18.4	-178.3	-68.3	163	0	0	0	113.5	T150 A153 V154 A157 A172 S174 V175 G179 F183 F186	T150-L177 HydrophobicContact CG2-CD1 4.44Å; A153-L177 HydrophobicContact CB-CD1 4.03Å; A153-L177 HydrophobicContact CB-CD2 4.42Å; V154-L177 HydrophobicContact CB-CD2 4.48Å; V154-L177 HydrophobicContact CG2-CD2 3.75Å; V154-L177 HydrophobicContact CG2-CG 4.09Å; A157-L177 HydrophobicContact CB-CD2 4.28Å; A172-L177 HydrophobicContact CB-CD1 3.63Å; S174-L177 PolarHBondContact O-N 3.32Å; V175-L177 PolarHBondContact O-N 2.75Å; L177-G179 PolarHBondContact O-N 3.3Å; L177-F183 HydrophobicContact CD2-CD2 4.47Å; L177-F186 HydrophobicContact CB-CD1 3.77Å; L177-F186 HydrophobicContact CB-CE1 3.5Å; L177-F186 VanDerWaalsContact CB-CE1 3.5Å; L177-F186 HydrophobicContact CB-CE2 4.32Å; L177-F186 HydrophobicContact CB-CG 4.31Å; L177-F186 HydrophobicContact CB-CZ 3.8Å; L177-F186 HydrophobicContact CD1-CE1 4.22Å; L177-F186 HydrophobicContact CD1-CE2 3.95Å; L177-F186 HydrophobicContact CD1-CZ 3.63Å; L177-F186 HydrophobicContact CD2-CD2 3.97Å; L177-F186 HydrophobicContact CD2-CE2 3.91Å; L177-F186 HydrophobicContact CD2-CG 4.34Å; L177-F186 HydrophobicContact CD2-CZ 4.22Å; L177-F186 HydrophobicContact CG-CE1 4.29Å; L177-F186 HydrophobicContact CG-CE2 4.28Å; L177-F186 HydrophobicContact CG-CZ 4.08Å
178	S	94.4	Very high	96.6	Very high	13 Å²	13	32.7 Å²	32.7	9%	0.091	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-72.1	-9.6	173.6	-59.6	0	0	0	0	112.9	V175 I176 K180 R188 D445	V175-S178 WeakPolarHBondContact O-CB 3.23Å; V175-S178 PolarHBondContact O-N 2.81Å; V175-S178 VanDerWaalsContact O-N 3.11Å; I176-S178 VanDerWaalsContact C-N 3.29Å; I176-S178 PolarHBondContact O-N 3.36Å; S178-K180 PolarHBondContact O-N 3.4Å; S178-R188 PolarHBondContact OG-NH2 2.87Å; S178-D445 PolarHBondContact OG-OD1 3.39Å; S178-D445 PolarHBondContact OG-OD2 3.45Å
179	G	95.3	Very high	96.5	Very high	33 Å²	33	32.8 Å²	32.8	34%	0.34	16%	0.159	S	C	.	.			trans	-74.6	84	-178.4	0	0	0	0	0	113.8	I176 L177 R181 K182 F183	I176-G179 PolarHBondContact O-N 3.17Å; L177-G179 PolarHBondContact O-N 3.3Å; G179-R181 PolarHBondContact O-N 3.08Å; G179-K182 PolarHBondContact O-N 3.42Å; G179-F183 PolarHBondContact O-N 2.85Å
180	K	95.9	Very high	96.4	Very high	50 Å²	50	32.8 Å²	32.8	22%	0.217	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-19	-176.7	-59.9	-55.4	175.6	-165	0	116.8	S178 K182 P184 F186 Y427 K443	S178-K180 PolarHBondContact O-N 3.4Å; K180-K182 VanDerWaalsContact C-N 3.32Å; K180-P184 WeakPolarHBondContact O-CA 3.49Å; K180-P184 WeakPolarHBondContact O-CB 3.14Å; K180-P184 WeakPolarHBondContact O-CD 3.49Å; K180-F186 PolarHBondContact NZ-O 2.99Å; K180-Y427 WeakPolarHBondContact CE-OH 3.28Å; K180-Y427 PolarHBondContact NZ-OH 3.22Å; K180-K443 WeakPolarHBondContact CE-O 3.44Å; K180-K443 PolarHBondContact NZ-O 2.94Å
181	R	94.7	Very high	96.3	Very high	257 Å²	257	33.3 Å²	33.3	97%	0.97	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-33.7	170.8	-70.3	-173.3	179.3	-167	0.4	112.5	G179	G179-R181 PolarHBondContact O-N 3.08Å
182	K	95.3	Very high	96.2	Very high	149 Å²	149	32.9 Å²	32.9	65%	0.648	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-38.2	178.1	-67.4	-174.7	178.5	-177.8	0	111.7	S161 G179 K180 P184	S161-K182 PolarHBondContact OG-O 3.14Å; G179-K182 PolarHBondContact O-N 3.42Å; K180-K182 VanDerWaalsContact C-N 3.32Å; K182-P184 VanDerWaalsContact C-CD 3.42Å; K182-P184 WeakPolarHBondContact O-CD 3.35Å
183	F	97.2	Very high	96.1	Very high	11 Å²	11	33 Å²	33	5%	0.048	16%	0.161	C	C	.	.			trans	-125.8	63.8	-175.1	-47.7	-66.9	0	0	0	111.4	V154 A157 A158 I176 L177 G179 S185 F186	V154-F183 HydrophobicContact CG1-CE1 4.45Å; V154-F183 HydrophobicContact CG1-CZ 4.09Å; A157-F183 HydrophobicContact CB-CB 4.35Å; A157-F183 HydrophobicContact CB-CD1 3.46Å; A157-F183 VanDerWaalsContact CB-CD1 3.46Å; A157-F183 HydrophobicContact CB-CE1 4.05Å; A157-F183 HydrophobicContact CB-CG 4.15Å; A158-F183 HydrophobicContact CB-CE1 4.22Å; I176-F183 HydrophobicContact CG1-CE2 4.28Å; I176-F183 WeakPolarHBondContact O-CD2 3.3Å; I176-F183 VanDerWaalsContact O-CE2 3.3Å; I176-F183 WeakPolarHBondContact O-CE2 3.21Å; L177-F183 HydrophobicContact CD2-CD2 4.47Å; G179-F183 PolarHBondContact O-N 2.85Å; F183-S185 PolarHBondContact O-N 2.86Å; F183-F186 HydrophobicContact CB-CB 3.87Å; F183-F186 PolarHBondContact O-N 3.47Å
184	P	96.8	Very high	96	Very high	42 Å²	42	37.9 Å²	37.9	27%	0.273	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-27.9	-175.6	23.7	-35.7	0	0	0	114.1	S161 L164 K180 K182	S161-P184 WeakPolarHBondContact OG-CD 3.29Å; L164-P184 HydrophobicContact CD2-CB 3.98Å; L164-P184 HydrophobicContact CD2-CG 3.82Å; K180-P184 WeakPolarHBondContact O-CA 3.49Å; K180-P184 WeakPolarHBondContact O-CB 3.14Å; K180-P184 WeakPolarHBondContact O-CD 3.49Å; K182-P184 VanDerWaalsContact C-CD 3.42Å; K182-P184 WeakPolarHBondContact O-CD 3.35Å
185	S	96.8	Very high	96	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	3.6	-175.4	66.9	0	0	0	0	115.1	M165 L167 F183	M165-S185 WeakPolarHBondContact O-CB 3.19Å; M165-S185 PolarHBondContact O-OG 3.26Å; L167-S185 PolarHBondContact N-O 3.37Å; F183-S185 PolarHBondContact O-N 2.86Å
186	F	98.4	Very high	96	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	137.9	175	-179.3	-90.1	0	0	0	110.8	A153 A157 L167 A172 L177 K180 F183 R188	A153-F186 HydrophobicContact CB-CE2 4.28Å; A157-F186 HydrophobicContact CB-CB 4.4Å; A157-F186 HydrophobicContact CB-CD2 4.14Å; L167-F186 HydrophobicContact CD2-CD2 3.77Å; L167-F186 HydrophobicContact CD2-CE2 4.38Å; L167-F186 HydrophobicContact CG-CD2 4Å; L167-F186 HydrophobicContact CG-CE2 4.5Å; L167-F186 CarbonylContact O-C 3.4Å; L167-F186 WeakPolarHBondContact O-CA 3.46Å; A172-F186 HydrophobicContact CB-CZ 4.42Å; L177-F186 HydrophobicContact CB-CD1 3.77Å; L177-F186 HydrophobicContact CB-CE1 3.5Å; L177-F186 VanDerWaalsContact CB-CE1 3.5Å; L177-F186 HydrophobicContact CB-CE2 4.32Å; L177-F186 HydrophobicContact CB-CG 4.31Å; L177-F186 HydrophobicContact CB-CZ 3.8Å; L177-F186 HydrophobicContact CD1-CE1 4.22Å; L177-F186 HydrophobicContact CD1-CE2 3.95Å; L177-F186 HydrophobicContact CD1-CZ 3.63Å; L177-F186 HydrophobicContact CD2-CD2 3.97Å; L177-F186 HydrophobicContact CD2-CE2 3.91Å; L177-F186 HydrophobicContact CD2-CG 4.34Å; L177-F186 HydrophobicContact CD2-CZ 4.22Å; L177-F186 HydrophobicContact CG-CE1 4.29Å; L177-F186 HydrophobicContact CG-CE2 4.28Å; L177-F186 HydrophobicContact CG-CZ 4.08Å; K180-F186 PolarHBondContact NZ-O 2.99Å; F183-F186 HydrophobicContact CB-CB 3.87Å; F183-F186 PolarHBondContact O-N 3.47Å; F186-R188 HydrophobicContact CE1-CB 3.94Å; F186-R188 HydrophobicContact CE1-CG 3.99Å; F186-R188 HydrophobicContact CZ-CB 3.97Å; F186-R188 HydrophobicContact CZ-CG 4.44Å
187	L	98.5	Very high	96.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	169.1	165.8	-56.7	96.6	0	0	0	108	L167 V168 S169 L423 I426 Y427 F440 G444	L167-L187 PolarHBondContact O-N 3.23Å; L167-L187 VanDerWaalsContact O-O 3.07Å; V168-L187 WeakPolarHBondContact CA-O 3.37Å; V168-L187 HydrophobicContact CG2-CB 4.35Å; V168-L187 HydrophobicContact CG2-CD1 4.48Å; S169-L187 PolarHBondContact N-O 3.17Å; L187-L423 HydrophobicContact CD1-CD1 3.66Å; L187-I426 HydrophobicContact CD1-CG2 4.31Å; L187-I426 HydrophobicContact CD2-CG2 3.81Å; L187-Y427 HydrophobicContact CD1-CE2 4.31Å; L187-Y427 HydrophobicContact CD2-CD1 4.25Å; L187-Y427 HydrophobicContact CD2-CD2 4.33Å; L187-Y427 HydrophobicContact CD2-CE1 4.1Å; L187-Y427 HydrophobicContact CD2-CE2 4.18Å; L187-Y427 HydrophobicContact CD2-CG 4.37Å; L187-Y427 HydrophobicContact CG-CE2 4.33Å; L187-F440 HydrophobicContact CB-CD1 4.33Å; L187-F440 HydrophobicContact CB-CE1 4.35Å; L187-F440 HydrophobicContact CD2-CB 4.08Å; L187-F440 HydrophobicContact CD2-CD1 4.05Å; L187-F440 HydrophobicContact CD2-CD2 3.81Å; L187-F440 HydrophobicContact CD2-CE1 4.47Å; L187-F440 HydrophobicContact CD2-CE2 4.25Å; L187-F440 HydrophobicContact CD2-CG 3.7Å; L187-G444 WeakPolarHBondContact CA-O 3.26Å
188	R	97.6	Very high	96.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	154.9	175.2	57	177.3	170.6	-147.1	-5.2	113.7	S169 A172 S173 S174 S178 F186 I190 S192 F440 G444 D445 P446	S169-R188 CarbonylContact O-C 3.59Å; S169-R188 WeakPolarHBondContact O-CA 3.33Å; S169-R188 WeakPolarHBondContact O-CB 3.34Å; A172-R188 WeakPolarHBondContact O-CD 3.32Å; A172-R188 PolarHBondContact O-NH1 3.5Å; A172-R188 VanDerWaalsContact O-NH1 3.07Å; S173-R188 PolarHBondContact O-NH1 2.95Å; S174-R188 PolarHBondContact O-NH1 3.49Å; S178-R188 PolarHBondContact OG-NH2 2.87Å; F186-R188 HydrophobicContact CE1-CB 3.94Å; F186-R188 HydrophobicContact CE1-CG 3.99Å; F186-R188 HydrophobicContact CZ-CB 3.97Å; F186-R188 HydrophobicContact CZ-CG 4.44Å; R188-I190 HydrophobicContact CB-CG2 4.3Å; R188-I190 WeakPolarHBondContact CD-O 3.39Å; R188-I190 VanDerWaalsContact CG-O 3.31Å; R188-I190 WeakPolarHBondContact CG-O 3.27Å; R188-S192 PolarHBondContact NH2-OG 2.93Å; R188-F440 VanDerWaalsContact O-CE1 3.28Å; R188-F440 WeakPolarHBondContact O-CE1 3.25Å; R188-G444 PolarHBondContact N-O 3.36Å; R188-D445 IonicContact CZ-OD1 2.94Å; R188-D445 IonicContact NE-OD1 4Å; R188-D445 PolarHBondContact NE-OD1 2.7Å; R188-D445 IonicContact NH2-OD1 3.83Å; R188-D445 PolarHBondContact NH2-OD1 3.07Å; R188-D445 IonicContact NH2-OD2 3.31Å; R188-P446 WeakPolarHBondContact O-CD 3.14Å
189	T	96.9	Very high	96.2	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.018	16%	0.156	C	C	.	.	S	Bend	trans	-102.5	-10.6	174.1	46.4	0	0	0	0	113.3	V168 S169 Y170 N389 E392 A393 F440	V168-T189 HydrophobicContact CG1-CG2 4.12Å; S169-T189 PolarHBondContact O-N 3.42Å; Y170-T189 WeakPolarHBondContact CA-OG1 3.32Å; T189-N389 WeakPolarHBondContact CB-O 3.42Å; T189-N389 WeakPolarHBondContact OG1-CB 3.48Å; T189-N389 PolarHBondContact OG1-O 2.74Å; T189-E392 HydrophobicContact CG2-CB 3.73Å; T189-A393 HydrophobicContact CG2-CB 4.01Å; T189-F440 HydrophobicContact CG2-CE1 4.31Å; T189-F440 HydrophobicContact CG2-CZ 4.41Å
190	I	96	Very high	96.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-82.3	142.4	162.7	-165.1	161.3	0	0	0	110.9	Y170 E171 R188 E302 I327 P446	Y170-I190 WeakPolarHBondContact O-CB 3.41Å; E171-I190 HydrophobicContact CB-CD1 4.4Å; E171-I190 HydrophobicContact CG-CD1 4.31Å; R188-I190 HydrophobicContact CB-CG2 4.3Å; R188-I190 WeakPolarHBondContact CD-O 3.39Å; R188-I190 VanDerWaalsContact CG-O 3.31Å; R188-I190 WeakPolarHBondContact CG-O 3.27Å; I190-E302 HydrophobicContact CD1-CG 4.03Å; I190-I327 HydrophobicContact CD1-CD1 3.81Å; I190-I327 HydrophobicContact CD1-CG1 4.37Å; I190-I327 HydrophobicContact CG1-CD1 4.42Å; I190-P446 VanDerWaalsContact O-CD 3.31Å; I190-P446 WeakPolarHBondContact O-CD 3.39Å; I190-P446 WeakPolarHBondContact O-CG 3.39Å
191	P	94.9	Very high	96.4	Very high	11 Å²	11	29.9 Å²	29.9	7%	0.071	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-68.4	155.5	175.2	-15.1	28.6	0	0	0	113.5	S173 Y450 L472	S173-P191 WeakPolarHBondContact CB-O 3.3Å; P191-Y450 HydrophobicContact CB-CE1 4.35Å; P191-Y450 HydrophobicContact CB-CE2 3.99Å; P191-Y450 WeakPolarHBondContact CB-OH 3.37Å; P191-Y450 HydrophobicContact CG-CE1 4Å; P191-Y450 HydrophobicContact CG-CE2 4.38Å; P191-Y450 PolarHBondContact O-OH 3.39Å; P191-L472 HydrophobicContact CB-CD1 3.56Å; P191-L472 HydrophobicContact CG-CD1 3.83Å
192	S	95	Very high	96.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-64.5	144	177.9	-172.1	0	0	0	0	113.4	R188 K194 Y195 Q196	R188-S192 PolarHBondContact NH2-OG 2.93Å; S192-K194 PolarHBondContact O-N 2.81Å; S192-K194 VanDerWaalsContact O-N 3.11Å; S192-K194 WeakPolarHBondContact OG-CB 3.12Å; S192-K194 PolarHBondContact OG-N 2.74Å; S192-Y195 PolarHBondContact O-N 3.2Å; S192-Q196 PolarHBondContact O-N 3.01Å
193	D	95.4	Very high	96.6	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.011	7%	0.068	C	C	.	.	H	α-helix	trans	-56.8	-24	168.1	-77.2	-17.3	0	0	0	113	S173 S174 V175 Y195 Q196 V197 F275	S173-D193 WeakPolarHBondContact CB-OD1 3.44Å; S173-D193 PolarHBondContact O-N 3.43Å; S173-D193 PolarHBondContact OG-OD1 3.26Å; S173-D193 PolarHBondContact OG-OD2 3.06Å; S174-D193 VanDerWaalsContact CA-OD2 3.26Å; S174-D193 WeakPolarHBondContact CA-OD2 3.31Å; S174-D193 PolarHBondContact N-OD2 3.44Å; V175-D193 HydrophobicContact CG2-CB 3.95Å; D193-Y195 PolarHBondContact O-N 2.92Å; D193-Q196 PolarHBondContact O-N 2.64Å; D193-Q196 PolarHBondContact OD1-NE2 2.94Å; D193-V197 VanDerWaalsContact O-CB 3.28Å; D193-V197 WeakPolarHBondContact O-CB 3.18Å; D193-V197 WeakPolarHBondContact O-CG2 3.4Å; D193-V197 PolarHBondContact O-N 2.86Å; D193-F275 HydrophobicContact CB-CZ 4.28Å
194	K	94.5	Very high	96.7	Very high	104 Å²	104	14.3 Å²	14.3	45%	0.452	7%	0.066	S	C	.	.	H	α-helix	trans	-50.6	-44.9	170.7	178.7	-163.6	169.9	-157.2	0	111	V175 S192 E198	V175-K194 HydrophobicContact CG2-CB 4.03Å; S192-K194 PolarHBondContact O-N 2.81Å; S192-K194 VanDerWaalsContact O-N 3.11Å; S192-K194 WeakPolarHBondContact OG-CB 3.12Å; S192-K194 PolarHBondContact OG-N 2.74Å; K194-E198 PolarHBondContact O-N 3.44Å
195	Y	94.6	Very high	96.6	Very high	16 Å²	16	16.3 Å²	16.3	6%	0.063	7%	0.072	C	C	.	.	H	α-helix	trans	-78.6	-39.3	-178.9	-55.7	-67.7	0	0	0	111.3	S192 D193 V197 E198 V199 L472 V475	S192-Y195 PolarHBondContact O-N 3.2Å; D193-Y195 PolarHBondContact O-N 2.92Å; Y195-V197 PolarHBondContact O-N 3.17Å; Y195-E198 PolarHBondContact O-N 2.91Å; Y195-V199 WeakPolarHBondContact O-CB 3.45Å; Y195-V199 VanDerWaalsContact O-CG2 3.25Å; Y195-V199 WeakPolarHBondContact O-CG2 3.45Å; Y195-V199 PolarHBondContact O-N 2.95Å; Y195-L472 HydrophobicContact CD1-CB 3.94Å; Y195-L472 WeakPolarHBondContact CD1-O 3.4Å; Y195-L472 HydrophobicContact CD2-CB 4.3Å; Y195-L472 HydrophobicContact CD2-CD1 4.41Å; Y195-L472 HydrophobicContact CE1-CB 4.27Å; Y195-L472 WeakPolarHBondContact CE1-O 3.39Å; Y195-L472 HydrophobicContact CG-CB 3.96Å; Y195-L472 HydrophobicContact CG-CD2 4.03Å; Y195-L472 HydrophobicContact CG-CG 4.39Å; Y195-V475 HydrophobicContact CD1-CG2 3.87Å
196	Q	95.5	Very high	96.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-58.3	-47.1	176.1	179.8	168.9	-167.2	0	0	112	S192 D193 E198 V199 I200 F275 E302 V325 Y450	S192-Q196 PolarHBondContact O-N 3.01Å; D193-Q196 PolarHBondContact O-N 2.64Å; D193-Q196 PolarHBondContact OD1-NE2 2.94Å; Q196-E198 PolarHBondContact O-N 2.77Å; Q196-V199 WeakPolarHBondContact O-CB 3.25Å; Q196-V199 PolarHBondContact O-N 2.97Å; Q196-I200 HydrophobicContact CG-CD1 4.03Å; Q196-I200 WeakPolarHBondContact O-CG1 3.34Å; Q196-I200 PolarHBondContact O-N 3.35Å; Q196-F275 HydrophobicContact CG-CE2 3.94Å; Q196-F275 HydrophobicContact CG-CZ 4.32Å; Q196-E302 VanDerWaalsContact CD-OE2 3.3Å; Q196-E302 PolarHBondContact NE2-OE2 3.03Å; Q196-E302 PolarHBondContact OE1-OE2 2.87Å; Q196-E302 VanDerWaalsContact OE1-OE2 3.08Å; Q196-V325 HydrophobicContact CG-CB 4.4Å; Q196-V325 HydrophobicContact CG-CG1 4.27Å; Q196-V325 HydrophobicContact CG-CG2 4.48Å; Q196-Y450 HydrophobicContact CB-CE2 3.94Å
197	V	97.1	Very high	96.4	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.024	9%	0.089	C	C	.	.	H	α-helix	trans	-59.8	-45.8	176.7	169.6	0	0	0	0	111	D193 Y195 V199 I200 V201 A228 L229 L232 F275	D193-V197 VanDerWaalsContact O-CB 3.28Å; D193-V197 WeakPolarHBondContact O-CB 3.18Å; D193-V197 WeakPolarHBondContact O-CG2 3.4Å; D193-V197 PolarHBondContact O-N 2.86Å; Y195-V197 PolarHBondContact O-N 3.17Å; V197-V199 VanDerWaalsContact C-N 3.35Å; V197-V199 PolarHBondContact O-N 2.84Å; V197-I200 PolarHBondContact O-N 3.48Å; V197-V201 WeakPolarHBondContact O-CG2 3.27Å; V197-V201 PolarHBondContact O-N 3.18Å; V197-A228 HydrophobicContact CG1-CB 4.13Å; V197-A228 HydrophobicContact CG2-CB 3.92Å; V197-L229 HydrophobicContact CB-CD2 4.42Å; V197-L229 HydrophobicContact CG1-CD2 4Å; V197-L229 HydrophobicContact CG1-CG 4.15Å; V197-L229 HydrophobicContact CG2-CD2 4.49Å; V197-L229 HydrophobicContact CG2-CG 4.17Å; V197-L232 HydrophobicContact CG1-CB 4.22Å; V197-L232 HydrophobicContact CG1-CD2 3.82Å; V197-F275 HydrophobicContact CG2-CE2 4.33Å
198	E	96.6	Very high	96.1	Very high	28 Å²	28	21.3 Å²	21.3	13%	0.131	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-40.6	176.3	179.1	70.4	-151.1	0	0	112.1	K194 Y195 Q196 V201 R202 L232 R236 V475	K194-E198 PolarHBondContact O-N 3.44Å; Y195-E198 PolarHBondContact O-N 2.91Å; Q196-E198 PolarHBondContact O-N 2.77Å; E198-V201 PolarHBondContact O-N 3.2Å; E198-R202 WeakPolarHBondContact O-CB 3.46Å; E198-R202 WeakPolarHBondContact O-CG 3.24Å; E198-R202 PolarHBondContact O-N 3.41Å; E198-R202 IonicContact OE1-CZ 3.91Å; E198-R202 IonicContact OE1-NE 3.36Å; E198-R202 PolarHBondContact OE1-NE 3.02Å; E198-R202 IonicContact OE1-NH2 3.77Å; E198-R202 PolarHBondContact OE1-NH2 3.12Å; E198-R202 VanDerWaalsContact OE1-NH2 3.12Å; E198-L232 HydrophobicContact CB-CD2 4.23Å; E198-L232 WeakPolarHBondContact OE2-CD2 3.32Å; E198-R236 VanDerWaalsContact CD-NH1 3.35Å; E198-R236 VanDerWaalsContact CD-NH2 3.3Å; E198-R236 IonicContact OE1-CZ 3.75Å; E198-R236 IonicContact OE1-NH1 3.11Å; E198-R236 PolarHBondContact OE1-NH1 3.11Å; E198-R236 IonicContact OE1-NH2 2.77Å; E198-R236 PolarHBondContact OE1-NH2 3.47Å; E198-R236 IonicContact OE2-CZ 3.35Å; E198-R236 IonicContact OE2-NH1 3.74Å; E198-R236 PolarHBondContact OE2-NH1 2.93Å; E198-R236 IonicContact OE2-NH2 2.66Å; E198-R236 PolarHBondContact OE2-NH2 3.32Å; E198-V475 HydrophobicContact CB-CG1 4.43Å; E198-V475 HydrophobicContact CB-CG2 4.17Å; E198-V475 HydrophobicContact CG-CB 3.6Å; E198-V475 HydrophobicContact CG-CG1 3.72Å; E198-V475 HydrophobicContact CG-CG2 3.66Å
199	V	97.3	Very high	96.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.2	-47.6	175.9	168.6	0	0	0	0	111.1	Y195 Q196 V197 V201 R202 L203 V325 Y450 I452 A470 V475 L477	Y195-V199 WeakPolarHBondContact O-CB 3.45Å; Y195-V199 VanDerWaalsContact O-CG2 3.25Å; Y195-V199 WeakPolarHBondContact O-CG2 3.45Å; Y195-V199 PolarHBondContact O-N 2.95Å; Q196-V199 WeakPolarHBondContact O-CB 3.25Å; Q196-V199 PolarHBondContact O-N 2.97Å; V197-V199 VanDerWaalsContact C-N 3.35Å; V197-V199 PolarHBondContact O-N 2.84Å; V199-V201 PolarHBondContact O-N 3.41Å; V199-R202 PolarHBondContact O-N 3.41Å; V199-L203 WeakPolarHBondContact O-CB 3.26Å; V199-L203 PolarHBondContact O-N 2.83Å; V199-V325 HydrophobicContact CB-CG2 4.45Å; V199-V325 HydrophobicContact CG1-CG1 4.43Å; V199-V325 HydrophobicContact CG1-CG2 3.73Å; V199-Y450 HydrophobicContact CG2-CD2 4.48Å; V199-I452 HydrophobicContact CG1-CD1 3.46Å; V199-I452 VanDerWaalsContact CG1-CD1 3.46Å; V199-A470 HydrophobicContact CB-CB 4.41Å; V199-A470 HydrophobicContact CG1-CB 4.04Å; V199-A470 HydrophobicContact CG2-CB 3.42Å; V199-A470 VanDerWaalsContact CG2-CB 3.42Å; V199-V475 HydrophobicContact CG2-CG1 3.72Å; V199-L477 HydrophobicContact CG1-CD1 4.36Å
200	I	98.2	Very high	96	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.9	-46.5	177.1	-69.9	168.9	0	0	0	110.3	Q196 V197 R202 L203 L204 L229 V273 F275 I299 V325	Q196-I200 HydrophobicContact CG-CD1 4.03Å; Q196-I200 WeakPolarHBondContact O-CG1 3.34Å; Q196-I200 PolarHBondContact O-N 3.35Å; V197-I200 PolarHBondContact O-N 3.48Å; I200-R202 VanDerWaalsContact C-N 3.34Å; I200-R202 PolarHBondContact O-N 2.96Å; I200-L203 WeakPolarHBondContact O-CB 3.41Å; I200-L203 PolarHBondContact O-N 2.83Å; I200-L203 VanDerWaalsContact O-N 3.13Å; I200-L204 HydrophobicContact CG2-CD1 4.33Å; I200-L204 HydrophobicContact CG2-CG 4.45Å; I200-L204 WeakPolarHBondContact O-CG 3.38Å; I200-L204 PolarHBondContact O-N 3.32Å; I200-L229 HydrophobicContact CB-CD2 3.85Å; I200-L229 HydrophobicContact CD1-CD2 4.33Å; I200-L229 HydrophobicContact CG2-CD2 3.53Å; I200-V273 HydrophobicContact CD1-CG1 4.29Å; I200-V273 HydrophobicContact CG2-CG1 3.95Å; I200-V273 HydrophobicContact CG2-CG2 4.16Å; I200-F275 HydrophobicContact CD1-CD2 4.15Å; I200-F275 HydrophobicContact CD1-CE2 4.17Å; I200-I299 HydrophobicContact CG1-CG2 4.23Å; I200-I299 HydrophobicContact CG2-CG2 4.08Å; I200-V325 HydrophobicContact CD1-CG2 4.37Å; I200-V325 HydrophobicContact CG1-CG2 3.7Å
201	V	98	Very high	96	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-41.3	179.1	171.8	0	0	0	0	111.5	V197 E198 V199 L203 L204 Q205 L229 L232 A233 I238	V197-V201 WeakPolarHBondContact O-CG2 3.27Å; V197-V201 PolarHBondContact O-N 3.18Å; E198-V201 PolarHBondContact O-N 3.2Å; V199-V201 PolarHBondContact O-N 3.41Å; V201-L203 VanDerWaalsContact C-N 3.32Å; V201-L203 PolarHBondContact O-N 3.46Å; V201-L204 PolarHBondContact O-N 2.97Å; V201-Q205 WeakPolarHBondContact O-CG 3.41Å; V201-Q205 PolarHBondContact O-N 3.41Å; V201-L229 HydrophobicContact CG2-CD2 4.19Å; V201-L232 HydrophobicContact CB-CD2 4.13Å; V201-L232 HydrophobicContact CB-CG 4.49Å; V201-L232 HydrophobicContact CG1-CG 4.43Å; V201-L232 HydrophobicContact CG2-CB 4.27Å; V201-L232 HydrophobicContact CG2-CD2 3.9Å; V201-L232 HydrophobicContact CG2-CG 4.11Å; V201-A233 HydrophobicContact CG2-CB 4.06Å; V201-I238 HydrophobicContact CG1-CD1 4.32Å
202	R	96.9	Very high	96.1	Very high	90 Å²	90	24.6 Å²	24.6	34%	0.34	13%	0.126	S	C	.	.	H	α-helix	trans	-64.4	-37.3	174	-74.7	179.4	-178	-102.2	-3.7	112.5	E198 V199 I200 Q205 S206 V475 L477	E198-R202 WeakPolarHBondContact O-CB 3.46Å; E198-R202 WeakPolarHBondContact O-CG 3.24Å; E198-R202 PolarHBondContact O-N 3.41Å; E198-R202 IonicContact OE1-CZ 3.91Å; E198-R202 IonicContact OE1-NE 3.36Å; E198-R202 PolarHBondContact OE1-NE 3.02Å; E198-R202 IonicContact OE1-NH2 3.77Å; E198-R202 PolarHBondContact OE1-NH2 3.12Å; E198-R202 VanDerWaalsContact OE1-NH2 3.12Å; V199-R202 PolarHBondContact O-N 3.41Å; I200-R202 VanDerWaalsContact C-N 3.34Å; I200-R202 PolarHBondContact O-N 2.96Å; R202-Q205 PolarHBondContact O-N 2.92Å; R202-S206 WeakPolarHBondContact O-CB 3.23Å; R202-S206 PolarHBondContact O-N 2.69Å; R202-V475 PolarHBondContact NE-O 3.39Å; R202-V475 PolarHBondContact NH1-O 2.87Å; R202-L477 HydrophobicContact CB-CB 4.23Å; R202-L477 HydrophobicContact CB-CD2 3.85Å
203	L	97	Very high	96.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61	-47.4	174.9	-173.4	66.1	0	0	0	110.2	V199 I200 V201 Q205 S206 F207 I299 L323 I452 L477 I479	V199-L203 WeakPolarHBondContact O-CB 3.26Å; V199-L203 PolarHBondContact O-N 2.83Å; I200-L203 WeakPolarHBondContact O-CB 3.41Å; I200-L203 PolarHBondContact O-N 2.83Å; I200-L203 VanDerWaalsContact O-N 3.13Å; V201-L203 VanDerWaalsContact C-N 3.32Å; V201-L203 PolarHBondContact O-N 3.46Å; L203-Q205 PolarHBondContact O-N 3.18Å; L203-S206 WeakPolarHBondContact O-CB 3.43Å; L203-S206 PolarHBondContact O-N 3.42Å; L203-S206 PolarHBondContact O-OG 2.99Å; L203-F207 HydrophobicContact CD1-CD2 4.37Å; L203-F207 HydrophobicContact CD1-CE2 3.75Å; L203-F207 HydrophobicContact CG-CE2 4.36Å; L203-F207 VanDerWaalsContact O-CD2 3.3Å; L203-F207 WeakPolarHBondContact O-CD2 3.39Å; L203-F207 PolarHBondContact O-N 3.25Å; L203-I299 HydrophobicContact CD2-CD1 4.19Å; L203-I299 HydrophobicContact CD2-CG2 4.18Å; L203-L323 HydrophobicContact CD2-CB 4.44Å; L203-I452 HydrophobicContact CD1-CG2 4.37Å; L203-L477 HydrophobicContact CB-CD2 4.1Å; L203-L477 HydrophobicContact CD1-CD2 4.25Å; L203-I479 HydrophobicContact CD1-CD1 3.85Å
204	L	97.9	Very high	96.4	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-59.2	-46.1	175.6	-63.5	174.6	0	0	0	112.2	I200 V201 S206 F207 G208 W209 I212 I238 V271 V273 I299	I200-L204 HydrophobicContact CG2-CD1 4.33Å; I200-L204 HydrophobicContact CG2-CG 4.45Å; I200-L204 WeakPolarHBondContact O-CG 3.38Å; I200-L204 PolarHBondContact O-N 3.32Å; V201-L204 PolarHBondContact O-N 2.97Å; L204-S206 VanDerWaalsContact C-N 3.32Å; L204-S206 PolarHBondContact O-N 3.04Å; L204-F207 PolarHBondContact O-N 2.88Å; L204-G208 PolarHBondContact O-N 2.92Å; L204-W209 HydrophobicContact CD2-CB 4.47Å; L204-W209 HydrophobicContact CD2-CE3 3.77Å; L204-W209 HydrophobicContact CD2-CZ3 4.47Å; L204-W209 PolarHBondContact O-N 3.45Å; L204-I212 HydrophobicContact CD1-CD1 3.69Å; L204-I212 HydrophobicContact CD1-CG2 4.31Å; L204-I212 HydrophobicContact CD2-CG2 4.08Å; L204-I238 HydrophobicContact CB-CD1 3.81Å; L204-I238 HydrophobicContact CD1-CD1 4.18Å; L204-V271 HydrophobicContact CD2-CG1 3.7Å; L204-V273 HydrophobicContact CD1-CG2 4.3Å; L204-V273 HydrophobicContact CD2-CG2 4.34Å; L204-I299 HydrophobicContact CD2-CG1 4.31Å
205	Q	95.8	Very high	96.6	Very high	84 Å²	84	19.7 Å²	19.7	39%	0.393	11%	0.105	S	C	.	.	H	α-helix	trans	-62.5	-38.4	176.9	-71	-178	-56.5	0	0	112.1	V201 R202 L203 F207 G208 I238	V201-Q205 WeakPolarHBondContact O-CG 3.41Å; V201-Q205 PolarHBondContact O-N 3.41Å; R202-Q205 PolarHBondContact O-N 2.92Å; L203-Q205 PolarHBondContact O-N 3.18Å; Q205-F207 PolarHBondContact O-N 3.4Å; Q205-F207 VanDerWaalsContact O-N 3.15Å; Q205-G208 PolarHBondContact O-N 2.79Å; Q205-I238 HydrophobicContact CG-CD1 4.01Å
206	S	95.2	Very high	96.7	Very high	37 Å²	37	18.9 Å²	18.9	26%	0.259	10%	0.102	S	C	.	.	H	α-helix	trans	-62.2	-24	-178.7	81.3	0	0	0	0	113.5	R202 L203 L204 K481	R202-S206 WeakPolarHBondContact O-CB 3.23Å; R202-S206 PolarHBondContact O-N 2.69Å; L203-S206 WeakPolarHBondContact O-CB 3.43Å; L203-S206 PolarHBondContact O-N 3.42Å; L203-S206 PolarHBondContact O-OG 2.99Å; L204-S206 VanDerWaalsContact C-N 3.32Å; L204-S206 PolarHBondContact O-N 3.04Å; S206-K481 PolarHBondContact O-NZ 2.84Å
207	F	95.1	Very high	96.8	Very high	23 Å²	23	18.9 Å²	18.9	10%	0.101	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	2.9	176.7	-66.4	-69.1	0	0	0	113.6	L203 L204 Q205 W209 L323 I479 K481 I484 W486 V493	L203-F207 HydrophobicContact CD1-CD2 4.37Å; L203-F207 HydrophobicContact CD1-CE2 3.75Å; L203-F207 HydrophobicContact CG-CE2 4.36Å; L203-F207 VanDerWaalsContact O-CD2 3.3Å; L203-F207 WeakPolarHBondContact O-CD2 3.39Å; L203-F207 PolarHBondContact O-N 3.25Å; L204-F207 PolarHBondContact O-N 2.88Å; Q205-F207 PolarHBondContact O-N 3.4Å; Q205-F207 VanDerWaalsContact O-N 3.15Å; F207-W209 VanDerWaalsContact C-N 3.26Å; F207-W209 HydrophobicContact CB-CD2 3.52Å; F207-W209 VanDerWaalsContact CB-CE2 3.45Å; F207-W209 HydrophobicContact CB-CE3 3.85Å; F207-W209 HydrophobicContact CB-CG 4.04Å; F207-W209 HydrophobicContact CB-CH2 4.04Å; F207-W209 HydrophobicContact CB-CZ2 3.74Å; F207-W209 HydrophobicContact CB-CZ3 4.09Å; F207-W209 HydrophobicContact CD1-CZ2 4.43Å; F207-W209 HydrophobicContact CD2-CE3 4.1Å; F207-W209 AromaticContact CD2-CH2 3.57Å; F207-W209 HydrophobicContact CD2-CH2 3.57Å; F207-W209 HydrophobicContact CD2-CZ2 4.08Å; F207-W209 AromaticContact CD2-CZ3 3.57Å; F207-W209 HydrophobicContact CD2-CZ3 3.57Å; F207-W209 HydrophobicContact CE2-CH2 4.18Å; F207-W209 HydrophobicContact CE2-CZ3 4.36Å; F207-W209 HydrophobicContact CG-CD2 4.36Å; F207-W209 HydrophobicContact CG-CE3 4.35Å; F207-W209 AromaticContact CG-CH2 3.83Å; F207-W209 HydrophobicContact CG-CH2 3.83Å; F207-W209 AromaticContact CG-CZ2 3.84Å; F207-W209 HydrophobicContact CG-CZ2 3.84Å; F207-W209 HydrophobicContact CG-CZ3 4.08Å; F207-W209 PolarHBondContact O-N 2.95Å; F207-L323 HydrophobicContact CE2-CD1 4.19Å; F207-I479 HydrophobicContact CE2-CD1 3.86Å; F207-I479 HydrophobicContact CZ-CD1 3.82Å; F207-K481 HydrophobicContact CE1-CD 3.88Å; F207-K481 HydrophobicContact CE1-CG 3.93Å; F207-K481 HydrophobicContact CZ-CD 4.43Å; F207-K481 HydrophobicContact CZ-CG 4.09Å; F207-I484 HydrophobicContact CE1-CD1 4.21Å; F207-I484 HydrophobicContact CE2-CD1 4.4Å; F207-I484 HydrophobicContact CZ-CD1 3.51Å; F207-W486 HydrophobicContact CD1-CH2 4.37Å; F207-W486 HydrophobicContact CD1-CZ2 4.17Å; F207-W486 HydrophobicContact CE1-CH2 4.07Å; F207-W486 AromaticContact CE1-CZ2 3.63Å; F207-W486 HydrophobicContact CE1-CZ2 3.63Å; F207-W486 HydrophobicContact CE2-CH2 4.45Å; F207-W486 HydrophobicContact CZ-CH2 4.12Å; F207-W486 AromaticContact CZ-CZ2 3.96Å; F207-W486 HydrophobicContact CZ-CZ2 3.96Å; F207-V493 HydrophobicContact CB-CG1 4.21Å; F207-V493 HydrophobicContact CD1-CG1 3.64Å; F207-V493 HydrophobicContact CD1-CG2 4.13Å; F207-V493 HydrophobicContact CE1-CG1 4.45Å; F207-V493 HydrophobicContact CE1-CG2 4.28Å; F207-V493 HydrophobicContact CG-CG1 4.25Å
208	G	93.8	Very high	96.6	Very high	44 Å²	44	24.2 Å²	24.2	45%	0.454	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	26.1	-179.2	0	0	0	0	0	113.8	L204 Q205 V210	L204-G208 PolarHBondContact O-N 2.92Å; Q205-G208 PolarHBondContact O-N 2.79Å; G208-V210 PolarHBondContact O-N 2.98Å
209	W	96	Very high	96.4	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.008	12%	0.119	C	C	.	.			trans	-83.6	101.7	179.7	-63.3	-30.9	0	0	0	110.9	L204 F207 V271 V297 I299 L323 W486 V493 P494	L204-W209 HydrophobicContact CD2-CB 4.47Å; L204-W209 HydrophobicContact CD2-CE3 3.77Å; L204-W209 HydrophobicContact CD2-CZ3 4.47Å; L204-W209 PolarHBondContact O-N 3.45Å; F207-W209 VanDerWaalsContact C-N 3.26Å; F207-W209 HydrophobicContact CB-CD2 3.52Å; F207-W209 VanDerWaalsContact CB-CE2 3.45Å; F207-W209 HydrophobicContact CB-CE3 3.85Å; F207-W209 HydrophobicContact CB-CG 4.04Å; F207-W209 HydrophobicContact CB-CH2 4.04Å; F207-W209 HydrophobicContact CB-CZ2 3.74Å; F207-W209 HydrophobicContact CB-CZ3 4.09Å; F207-W209 HydrophobicContact CD1-CZ2 4.43Å; F207-W209 HydrophobicContact CD2-CE3 4.1Å; F207-W209 AromaticContact CD2-CH2 3.57Å; F207-W209 HydrophobicContact CD2-CH2 3.57Å; F207-W209 HydrophobicContact CD2-CZ2 4.08Å; F207-W209 AromaticContact CD2-CZ3 3.57Å; F207-W209 HydrophobicContact CD2-CZ3 3.57Å; F207-W209 HydrophobicContact CE2-CH2 4.18Å; F207-W209 HydrophobicContact CE2-CZ3 4.36Å; F207-W209 HydrophobicContact CG-CD2 4.36Å; F207-W209 HydrophobicContact CG-CE3 4.35Å; F207-W209 AromaticContact CG-CH2 3.83Å; F207-W209 HydrophobicContact CG-CH2 3.83Å; F207-W209 AromaticContact CG-CZ2 3.84Å; F207-W209 HydrophobicContact CG-CZ2 3.84Å; F207-W209 HydrophobicContact CG-CZ3 4.08Å; F207-W209 PolarHBondContact O-N 2.95Å; W209-V271 HydrophobicContact CB-CG2 4.18Å; W209-V271 HydrophobicContact CD2-CG1 4.47Å; W209-V271 HydrophobicContact CD2-CG2 3.41Å; W209-V271 VanDerWaalsContact CD2-CG2 3.41Å; W209-V271 HydrophobicContact CE3-CG1 4.01Å; W209-V271 HydrophobicContact CE3-CG2 3.75Å; W209-V271 HydrophobicContact CG-CG2 3.63Å; W209-V271 HydrophobicContact CZ2-CG2 4.23Å; W209-V271 HydrophobicContact CZ3-CG1 4.43Å; W209-V271 HydrophobicContact CZ3-CG2 4.29Å; W209-V297 HydrophobicContact CH2-CG1 3.74Å; W209-V297 HydrophobicContact CZ2-CG1 4.32Å; W209-V297 HydrophobicContact CZ2-CG2 4.4Å; W209-V297 HydrophobicContact CZ3-CG1 4.27Å; W209-I299 HydrophobicContact CZ3-CD1 3.94Å; W209-L323 HydrophobicContact CH2-CD1 4.1Å; W209-W486 AromaticContact CH2-CH2 3.59Å; W209-W486 HydrophobicContact CH2-CH2 3.59Å; W209-W486 AromaticContact CH2-CZ3 3.87Å; W209-W486 HydrophobicContact CH2-CZ3 3.87Å; W209-W486 AromaticContact CZ2-CH2 3.65Å; W209-W486 HydrophobicContact CZ2-CH2 3.65Å; W209-W486 AromaticContact CZ2-CZ3 3.83Å; W209-W486 HydrophobicContact CZ2-CZ3 3.83Å; W209-V493 HydrophobicContact CZ2-CG1 4.07Å; W209-P494 PolarHBondContact NE1-O 3.49Å
210	V	94.7	Very high	96.3	Very high	46 Å²	46	25.2 Å²	25.2	28%	0.279	13%	0.13	S	C	.	.			trans	-103.4	-7.8	-177.8	-60.9	0	0	0	0	113.7	G208 I238 C239 S496 V497	G208-V210 PolarHBondContact O-N 2.98Å; V210-I238 CarbonylContact O-C 3.51Å; V210-C239 PolarHBondContact O-N 3.31Å; V210-S496 PolarHBondContact N-O 2.92Å; V210-S496 VanDerWaalsContact N-O 3.16Å; V210-V497 HydrophobicContact CG2-CB 4.19Å; V210-V497 HydrophobicContact CG2-CG1 3.96Å
211	W	96	Very high	96.2	Very high	35 Å²	35	25.7 Å²	25.7	13%	0.133	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	105	178.1	-170.2	-117.1	0	0	0	110.2	C239 A241 A267 T269 S496 C498 H514 C517	W211-C239 HydrophobicContact CE3-CB 3.72Å; W211-C239 HydrophobicContact CZ3-CB 3.64Å; W211-A241 HydrophobicContact CD2-CB 3.8Å; W211-A241 HydrophobicContact CE3-CB 4.27Å; W211-A241 HydrophobicContact CG-CB 4.49Å; W211-A241 HydrophobicContact CH2-CB 3.68Å; W211-A241 HydrophobicContact CZ2-CB 3.14Å; W211-A241 HydrophobicContact CZ3-CB 4.21Å; W211-A267 PolarHBondContact NE1-O 2.8Å; W211-T269 HydrophobicContact CG-CG2 4.17Å; W211-S496 PolarHBondContact N-O 3.21Å; W211-S496 WeakPolarHBondContact O-CB 3.47Å; W211-S496 PolarHBondContact O-OG 2.94Å; W211-C498 HydrophobicContact CB-CB 4.37Å; W211-C498 HydrophobicContact CD2-CB 3.62Å; W211-C498 HydrophobicContact CE3-CB 3.7Å; W211-C498 HydrophobicContact CG-CB 3.94Å; W211-C498 HydrophobicContact CZ2-CB 4.46Å; W211-C498 HydrophobicContact CZ3-CB 4.2Å; W211-H514 HydrophobicContact CZ3-CB 4.41Å; W211-C517 WeakPolarHBondContact CZ3-SG 3.03Å
212	I	98	Very high	96.1	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	163.9	-171.9	68.8	171.7	0	0	0	112.4	L204 L214 I238 C239 V240 A241 T269 V271 V273	L204-I212 HydrophobicContact CD1-CD1 3.69Å; L204-I212 HydrophobicContact CD1-CG2 4.31Å; L204-I212 HydrophobicContact CD2-CG2 4.08Å; I212-L214 HydrophobicContact CD1-CD2 3.61Å; I212-L214 HydrophobicContact CD1-CG 4.29Å; I212-L214 HydrophobicContact CG1-CD2 4.37Å; I212-I238 HydrophobicContact CD1-CG2 3.79Å; I212-I238 HydrophobicContact CG1-CG2 3.91Å; I212-I238 HydrophobicContact CG2-CG2 4.08Å; I212-C239 PolarHBondContact N-O 3.45Å; I212-C239 VanDerWaalsContact N-O 3.08Å; I212-V240 HydrophobicContact CG1-CG2 4.36Å; I212-A241 WeakPolarHBondContact O-CB 3.41Å; I212-A241 PolarHBondContact O-N 3.4Å; I212-T269 VanDerWaalsContact C-CG2 3.45Å; I212-V271 HydrophobicContact CG2-CB 4.19Å; I212-V271 HydrophobicContact CG2-CG1 4.11Å; I212-V273 HydrophobicContact CD1-CG2 4.32Å
213	S	98.3	Very high	96	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	146.1	163.9	-68.6	0	0	0	0	111.1	F242 T269 V271 V272 V273	S213-F242 CarbonylContact C-O 3.27Å; S213-F242 VanDerWaalsContact CA-O 3.26Å; S213-F242 WeakPolarHBondContact CA-O 3.17Å; S213-T269 WeakPolarHBondContact OG-CB 3.42Å; S213-T269 WeakPolarHBondContact OG-CG2 3.47Å; S213-T269 PolarHBondContact OG-OG1 3.42Å; S213-V271 PolarHBondContact N-O 3.24Å; S213-V272 CarbonylContact O-C 3.51Å; S213-V272 WeakPolarHBondContact O-CA 3.33Å; S213-V273 PolarHBondContact O-N 2.96Å
214	L	98.4	Very high	96	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128	176.6	-57.5	-178	0	0	0	109.8	I212 V226 L229 E230 V240 F242 K243 N244 V273	I212-L214 HydrophobicContact CD1-CD2 3.61Å; I212-L214 HydrophobicContact CD1-CG 4.29Å; I212-L214 HydrophobicContact CG1-CD2 4.37Å; L214-V226 HydrophobicContact CB-CG1 3.86Å; L214-V226 HydrophobicContact CB-CG2 4.46Å; L214-V226 HydrophobicContact CD1-CG1 4.1Å; L214-L229 HydrophobicContact CD1-CB 4.08Å; L214-L229 HydrophobicContact CD2-CB 4.36Å; L214-L229 HydrophobicContact CD2-CD1 4.33Å; L214-E230 HydrophobicContact CD1-CB 4Å; L214-V240 HydrophobicContact CB-CG1 4.36Å; L214-V240 HydrophobicContact CD1-CG1 4.01Å; L214-V240 HydrophobicContact CD1-CG2 3.64Å; L214-V240 HydrophobicContact CG-CG1 3.88Å; L214-V240 HydrophobicContact CG-CG2 4.05Å; L214-F242 PolarHBondContact N-O 2.91Å; L214-K243 VanDerWaalsContact O-CA 3.27Å; L214-K243 WeakPolarHBondContact O-CA 3.49Å; L214-N244 PolarHBondContact O-N 2.97Å; L214-N244 VanDerWaalsContact O-N 3.07Å; L214-V273 WeakPolarHBondContact CA-O 3.22Å; L214-V273 HydrophobicContact CD2-CB 3.66Å; L214-V273 HydrophobicContact CD2-CG1 4.44Å; L214-V273 HydrophobicContact CD2-CG2 3.86Å
215	V	98.3	Very high	96	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.4	172.2	-178.8	0	0	0	0	108.9	F242 N244 V246 M260 V272 V273 V274 F275 F284	V215-F242 HydrophobicContact CG2-CE1 4.18Å; V215-N244 WeakPolarHBondContact CA-O 3.47Å; V215-V246 HydrophobicContact CG1-CG2 3.88Å; V215-M260 HydrophobicContact CG1-SD 4.4Å; V215-V272 HydrophobicContact CG2-CG1 4.1Å; V215-V273 PolarHBondContact N-O 3.1Å; V215-V274 CarbonylContact O-C 3.59Å; V215-V274 WeakPolarHBondContact O-CA 3.45Å; V215-F275 PolarHBondContact O-N 2.82Å; V215-F284 HydrophobicContact CB-CE2 4.14Å; V215-F284 HydrophobicContact CB-CZ 4.22Å; V215-F284 HydrophobicContact CG1-CD2 3.87Å; V215-F284 HydrophobicContact CG1-CE2 3.58Å; V215-F284 HydrophobicContact CG1-CZ 4.11Å; V215-F284 HydrophobicContact CG2-CE2 3.91Å; V215-F284 HydrophobicContact CG2-CZ 3.95Å
216	G	97.9	Very high	96	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	161.4	176.2	0	0	0	0	0	112.1	V226 N244 V245 V246 F275	G216-V226 VanDerWaalsContact CA-CG2 3.46Å; G216-N244 PolarHBondContact N-O 3.43Å; G216-V245 CarbonylContact O-C 3.6Å; G216-V245 VanDerWaalsContact O-CA 3.29Å; G216-V245 WeakPolarHBondContact O-CA 3.24Å; G216-V246 PolarHBondContact O-N 3.31Å; G216-F275 VanDerWaalsContact CA-O 3.25Å; G216-F275 WeakPolarHBondContact CA-O 3.39Å
217	S	95.9	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	159.3	162.5	62.4	0	0	0	0	111.8	G222 Q223 V245 F275 S276 N277	S217-G222 CarbonylContact O-C 3.59Å; S217-G222 WeakPolarHBondContact O-CA 3.31Å; S217-Q223 PolarHBondContact O-N 3.18Å; S217-V245 VanDerWaalsContact C-CG1 3.49Å; S217-V245 WeakPolarHBondContact O-CG1 3.49Å; S217-F275 PolarHBondContact N-O 3.31Å; S217-S276 WeakPolarHBondContact CB-OG 3.35Å; S217-N277 PolarHBondContact OG-N 3Å; S217-N277 PolarHBondContact OG-ND2 2.99Å
218	Y	94.4	Very high	96.2	Very high	115 Å²	115	26.2 Å²	26.2	45%	0.451	14%	0.14	S	C	.	.	S	Bend	trans	-60.4	147.9	165.8	178.6	-91.5	0	0	0	110.3	V246 L248 N277	Y218-V246 WeakPolarHBondContact CB-O 3.34Å; Y218-V246 PolarHBondContact N-O 2.91Å; Y218-L248 HydrophobicContact CD1-CB 3.69Å; Y218-L248 HydrophobicContact CD1-CD1 4.35Å; Y218-L248 HydrophobicContact CD1-CD2 4.25Å; Y218-L248 HydrophobicContact CD1-CG 4.32Å; Y218-L248 HydrophobicContact CE1-CB 4.2Å; Y218-L248 HydrophobicContact CE1-CD2 4.1Å; Y218-L248 HydrophobicContact CG-CB 3.97Å; Y218-N277 PolarHBondContact O-ND2 2.89Å
219	G	91.8	Very high	96.4	Very high	5 Å²	5	24.2 Å²	24.2	5%	0.052	12%	0.12	C	C	.	.	S	Bend	trans	104.3	165.9	-175.6	0	0	0	0	0	112.8	D151 Y221 G222 Q223	D151-G219 WeakPolarHBondContact OD2-CA 3.26Å; G219-Y221 VanDerWaalsContact C-N 3.26Å; G219-Y221 PolarHBondContact O-N 2.79Å; G219-G222 PolarHBondContact O-N 2.74Å; G219-Q223 WeakPolarHBondContact O-CB 3.15Å; G219-Q223 WeakPolarHBondContact O-CG 3.44Å; G219-Q223 PolarHBondContact O-N 3.41Å
220	D	94.3	Very high	96.4	Very high	45 Å²	45	27.2 Å²	27.2	24%	0.241	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-31.3	-174.3	-82	-11.9	0	0	0	112.2	T150 D151 L224	T150-D220 HydrophobicContact CG2-CB 3.72Å; D151-D220 WeakPolarHBondContact OD1-CB 3.39Å; D151-D220 PolarHBondContact OD1-N 3.43Å; D220-L224 HydrophobicContact CB-CD1 4.03Å; D220-L224 WeakPolarHBondContact O-CB 3.4Å; D220-L224 WeakPolarHBondContact O-CG 3.35Å; D220-L224 PolarHBondContact O-N 3.48Å; D220-L224 VanDerWaalsContact O-N 3.17Å
221	Y	96.1	Very high	96.5	Very high	10 Å²	10	30.8 Å²	30.8	4%	0.039	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-59.4	175.8	172	-103.5	0	0	0	111.8	S173 G219 G225 F275 N277 S301 E302 D303	S173-Y221 WeakPolarHBondContact OG-CD2 3.31Å; S173-Y221 VanDerWaalsContact OG-CE2 3.32Å; S173-Y221 WeakPolarHBondContact OG-CE2 3.15Å; G219-Y221 VanDerWaalsContact C-N 3.26Å; G219-Y221 PolarHBondContact O-N 2.79Å; Y221-G225 WeakPolarHBondContact O-CA 3.26Å; Y221-G225 PolarHBondContact O-N 3.4Å; Y221-F275 HydrophobicContact CD1-CD1 4.27Å; Y221-F275 HydrophobicContact CD1-CE1 4.29Å; Y221-F275 AromaticContact CD2-CE1 3.76Å; Y221-F275 HydrophobicContact CD2-CE1 3.76Å; Y221-F275 AromaticContact CE1-CD1 3.88Å; Y221-F275 HydrophobicContact CE1-CD1 3.88Å; Y221-F275 AromaticContact CE1-CE1 3.92Å; Y221-F275 HydrophobicContact CE1-CE1 3.92Å; Y221-F275 HydrophobicContact CE2-CD1 4.19Å; Y221-F275 AromaticContact CE2-CE1 3.38Å; Y221-F275 HydrophobicContact CE2-CE1 3.38Å; Y221-F275 HydrophobicContact CE2-CZ 4.03Å; Y221-F275 HydrophobicContact CG-CE1 4.22Å; Y221-F275 AromaticContact CZ-CD1 3.85Å; Y221-F275 AromaticContact CZ-CE1 3.47Å; Y221-F275 VanDerWaalsContact CZ-CE1 3.47Å; Y221-N277 HydrophobicContact CD1-CB 4.23Å; Y221-S301 WeakPolarHBondContact OH-CB 3.3Å; Y221-S301 PolarHBondContact OH-OG 2.92Å; Y221-E302 PolarHBondContact OH-OE2 2.75Å; Y221-D303 HydrophobicContact CE1-CB 4.31Å
222	G	96	Very high	96.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-69.8	-42.2	-174.9	0	0	0	0	0	113.3	S217 G219 V226 F275	S217-G222 CarbonylContact O-C 3.59Å; S217-G222 WeakPolarHBondContact O-CA 3.31Å; G219-G222 PolarHBondContact O-N 2.74Å; G222-V226 WeakPolarHBondContact O-CB 3.36Å; G222-V226 WeakPolarHBondContact O-CG2 3.4Å; G222-V226 PolarHBondContact O-N 3.45Å; G222-V226 VanDerWaalsContact O-N 3.12Å; G222-F275 VanDerWaalsContact CA-O 3.31Å; G222-F275 WeakPolarHBondContact CA-O 3.31Å
223	Q	96	Very high	96.5	Very high	80 Å²	80	31.2 Å²	31.2	37%	0.374	15%	0.152	S	C	.	.	H	α-helix	trans	-71.7	-47.6	-177.6	-67.3	-173.2	-23.6	0	0	112.4	S217 G219 Q227 V245	S217-Q223 PolarHBondContact O-N 3.18Å; G219-Q223 WeakPolarHBondContact O-CB 3.15Å; G219-Q223 WeakPolarHBondContact O-CG 3.44Å; G219-Q223 PolarHBondContact O-N 3.41Å; Q223-Q227 WeakPolarHBondContact O-CB 3.37Å; Q223-Q227 PolarHBondContact O-N 2.82Å; Q223-V245 HydrophobicContact CG-CG1 3.91Å; Q223-V245 HydrophobicContact CG-CG2 4.04Å
224	L	96.5	Very high	96.3	Very high	55 Å²	55	33.6 Å²	33.6	29%	0.288	17%	0.166	S	C	.	.	H	α-helix	trans	-73.3	-32.6	179.9	-56.1	176.1	0	0	0	111.4	I176 D220 Q227 A228	I176-L224 HydrophobicContact CB-CD1 4.07Å; I176-L224 HydrophobicContact CD1-CD1 4.34Å; I176-L224 HydrophobicContact CG2-CD1 4.38Å; D220-L224 HydrophobicContact CB-CD1 4.03Å; D220-L224 WeakPolarHBondContact O-CB 3.4Å; D220-L224 WeakPolarHBondContact O-CG 3.35Å; D220-L224 PolarHBondContact O-N 3.48Å; D220-L224 VanDerWaalsContact O-N 3.17Å; L224-Q227 PolarHBondContact O-N 2.99Å; L224-A228 VanDerWaalsContact O-CB 3.32Å; L224-A228 WeakPolarHBondContact O-CB 3.31Å; L224-A228 PolarHBondContact O-N 3.36Å
225	G	96.6	Very high	96.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-47.8	172.5	0	0	0	0	0	112.3	Y221 Q227 A228 L229	Y221-G225 WeakPolarHBondContact O-CA 3.26Å; Y221-G225 PolarHBondContact O-N 3.4Å; G225-Q227 PolarHBondContact O-N 2.92Å; G225-A228 PolarHBondContact O-N 2.84Å; G225-L229 WeakPolarHBondContact O-CB 3.34Å; G225-L229 WeakPolarHBondContact O-CG 3.2Å; G225-L229 PolarHBondContact O-N 3.15Å
226	V	97.8	Very high	95.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-40.7	174.1	167.1	0	0	0	0	112.2	L214 G216 G222 L229 E230 K243 F275	L214-V226 HydrophobicContact CB-CG1 3.86Å; L214-V226 HydrophobicContact CB-CG2 4.46Å; L214-V226 HydrophobicContact CD1-CG1 4.1Å; G216-V226 VanDerWaalsContact CA-CG2 3.46Å; G222-V226 WeakPolarHBondContact O-CB 3.36Å; G222-V226 WeakPolarHBondContact O-CG2 3.4Å; G222-V226 PolarHBondContact O-N 3.45Å; G222-V226 VanDerWaalsContact O-N 3.12Å; V226-L229 PolarHBondContact O-N 3.3Å; V226-E230 PolarHBondContact O-N 3.26Å; V226-K243 HydrophobicContact CG1-CD 3.82Å; V226-K243 HydrophobicContact CG1-CG 3.8Å; V226-F275 HydrophobicContact CG2-CB 4.08Å
227	Q	97.3	Very high	95.6	Very high	82 Å²	82	44 Å²	44	38%	0.383	23%	0.228	S	C	.	.	H	α-helix	trans	-61.8	-48.2	176.9	-180	178.4	-12.2	0	0	111.2	Q223 L224 G225 L229 E230 E231	Q223-Q227 WeakPolarHBondContact O-CB 3.37Å; Q223-Q227 PolarHBondContact O-N 2.82Å; L224-Q227 PolarHBondContact O-N 2.99Å; G225-Q227 PolarHBondContact O-N 2.92Å; Q227-L229 VanDerWaalsContact C-N 3.32Å; Q227-L229 PolarHBondContact O-N 3Å; Q227-E230 PolarHBondContact O-N 3.36Å; Q227-E231 HydrophobicContact CG-CG 4.4Å; Q227-E231 VanDerWaalsContact CG-OE1 3.31Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.2Å; Q227-E231 PolarHBondContact NE2-OE1 2.71Å; Q227-E231 WeakPolarHBondContact O-CB 3.45Å; Q227-E231 WeakPolarHBondContact O-CG 3.45Å; Q227-E231 PolarHBondContact O-N 3.44Å
228	A	96.9	Very high	95.5	Very high	26 Å²	26	44.1 Å²	44.1	22%	0.215	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-37.9	178.6	0	0	0	0	0	112.1	V197 L224 G225 E231 L232	V197-A228 HydrophobicContact CG1-CB 4.13Å; V197-A228 HydrophobicContact CG2-CB 3.92Å; L224-A228 VanDerWaalsContact O-CB 3.32Å; L224-A228 WeakPolarHBondContact O-CB 3.31Å; L224-A228 PolarHBondContact O-N 3.36Å; G225-A228 PolarHBondContact O-N 2.84Å; A228-E231 PolarHBondContact O-N 3.31Å; A228-L232 VanDerWaalsContact O-CB 3.32Å; A228-L232 WeakPolarHBondContact O-CB 3.33Å; A228-L232 PolarHBondContact O-N 2.69Å
229	L	97.6	Very high	95.5	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-48.7	172.4	-80.4	165.3	0	0	0	111.8	V197 I200 V201 L214 G225 V226 Q227 L232 A233 V273 F275	V197-L229 HydrophobicContact CB-CD2 4.42Å; V197-L229 HydrophobicContact CG1-CD2 4Å; V197-L229 HydrophobicContact CG1-CG 4.15Å; V197-L229 HydrophobicContact CG2-CD2 4.49Å; V197-L229 HydrophobicContact CG2-CG 4.17Å; I200-L229 HydrophobicContact CB-CD2 3.85Å; I200-L229 HydrophobicContact CD1-CD2 4.33Å; I200-L229 HydrophobicContact CG2-CD2 3.53Å; V201-L229 HydrophobicContact CG2-CD2 4.19Å; L214-L229 HydrophobicContact CD1-CB 4.08Å; L214-L229 HydrophobicContact CD2-CB 4.36Å; L214-L229 HydrophobicContact CD2-CD1 4.33Å; G225-L229 WeakPolarHBondContact O-CB 3.34Å; G225-L229 WeakPolarHBondContact O-CG 3.2Å; G225-L229 PolarHBondContact O-N 3.15Å; V226-L229 PolarHBondContact O-N 3.3Å; Q227-L229 VanDerWaalsContact C-N 3.32Å; Q227-L229 PolarHBondContact O-N 3Å; L229-L232 PolarHBondContact O-N 3.2Å; L229-A233 WeakPolarHBondContact O-CB 3.25Å; L229-A233 PolarHBondContact O-N 3.36Å; L229-V273 HydrophobicContact CD1-CG1 3.7Å; L229-F275 HydrophobicContact CD1-CB 4.36Å; L229-F275 HydrophobicContact CD1-CD2 3.77Å; L229-F275 HydrophobicContact CD1-CG 4.42Å
230	E	96.6	Very high	95.7	Very high	64 Å²	64	39.1 Å²	39.1	30%	0.299	21%	0.209	S	C	.	.	H	α-helix	trans	-63.1	-45.2	178.9	-178.1	173.9	-143.4	0	0	111.9	L214 V226 Q227 L232 T234 V240 K243	L214-E230 HydrophobicContact CD1-CB 4Å; V226-E230 PolarHBondContact O-N 3.26Å; Q227-E230 PolarHBondContact O-N 3.36Å; E230-L232 VanDerWaalsContact C-N 3.3Å; E230-L232 PolarHBondContact O-N 3.4Å; E230-T234 VanDerWaalsContact O-CB 3.27Å; E230-T234 WeakPolarHBondContact O-CB 3.48Å; E230-T234 PolarHBondContact O-N 3.33Å; E230-T234 PolarHBondContact O-OG1 2.87Å; E230-V240 HydrophobicContact CB-CG2 4.4Å; E230-V240 HydrophobicContact CG-CG2 4.14Å; E230-K243 WeakPolarHBondContact OE2-CD 3.34Å; E230-K243 IonicContact OE2-NZ 3.72Å; E230-K243 PolarHBondContact OE2-NZ 2.96Å
231	E	96.4	Very high	95.7	Very high	121 Å²	121	38.4 Å²	38.4	57%	0.565	21%	0.209	S	C	*	.	H	α-helix	trans	-63.1	-33.8	179.3	-73.9	175.7	-174.5	0	0	112.7	Q227 A228 P235	Q227-E231 HydrophobicContact CG-CG 4.4Å; Q227-E231 VanDerWaalsContact CG-OE1 3.31Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.2Å; Q227-E231 PolarHBondContact NE2-OE1 2.71Å; Q227-E231 WeakPolarHBondContact O-CB 3.45Å; Q227-E231 WeakPolarHBondContact O-CG 3.45Å; Q227-E231 PolarHBondContact O-N 3.44Å; A228-E231 PolarHBondContact O-N 3.31Å; E231-P235 WeakPolarHBondContact O-CD 3.27Å; E231-P235 VanDerWaalsContact O-CG 3.29Å; E231-P235 WeakPolarHBondContact O-CG 3.49Å
232	L	96.8	Very high	95.7	Very high	45 Å²	45	38.9 Å²	38.9	24%	0.236	21%	0.212	C	C	.	.	H	α-helix	trans	-88	-37.6	179.4	-172.5	65.1	0	0	0	113.3	V197 E198 V201 A228 L229 E230 R236	V197-L232 HydrophobicContact CG1-CB 4.22Å; V197-L232 HydrophobicContact CG1-CD2 3.82Å; E198-L232 HydrophobicContact CB-CD2 4.23Å; E198-L232 WeakPolarHBondContact OE2-CD2 3.32Å; V201-L232 HydrophobicContact CB-CD2 4.13Å; V201-L232 HydrophobicContact CB-CG 4.49Å; V201-L232 HydrophobicContact CG1-CG 4.43Å; V201-L232 HydrophobicContact CG2-CB 4.27Å; V201-L232 HydrophobicContact CG2-CD2 3.9Å; V201-L232 HydrophobicContact CG2-CG 4.11Å; A228-L232 VanDerWaalsContact O-CB 3.32Å; A228-L232 WeakPolarHBondContact O-CB 3.33Å; A228-L232 PolarHBondContact O-N 2.69Å; L229-L232 PolarHBondContact O-N 3.2Å; E230-L232 VanDerWaalsContact C-N 3.3Å; E230-L232 PolarHBondContact O-N 3.4Å; L232-R236 WeakPolarHBondContact O-CG 3.41Å
233	A	96.6	Very high	95.8	Very high	1 Å²	1	43 Å²	43	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-73.8	-40.2	-176.2	0	0	0	0	0	111.8	V201 L229 R236 G237 I238	V201-A233 HydrophobicContact CG2-CB 4.06Å; L229-A233 WeakPolarHBondContact O-CB 3.25Å; L229-A233 PolarHBondContact O-N 3.36Å; A233-R236 CarbonylContact O-C 3.52Å; A233-R236 WeakPolarHBondContact O-CA 3.35Å; A233-R236 PolarHBondContact O-N 3.22Å; A233-G237 PolarHBondContact O-N 3.15Å; A233-I238 CarbonylContact C-O 3.46Å; A233-I238 HydrophobicContact CB-CB 3.98Å; A233-I238 HydrophobicContact CB-CD1 4.37Å; A233-I238 HydrophobicContact CB-CG2 4.19Å; A233-I238 PolarHBondContact O-N 2.99Å; A233-I238 VanDerWaalsContact O-N 3.12Å
234	T	94.2	Very high	95.8	Very high	49 Å²	49	41.4 Å²	41.4	30%	0.301	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-60.5	-50.7	-175.3	-53.8	0	0	0	0	112.3	E230 R236 G237 I238 H515	E230-T234 VanDerWaalsContact O-CB 3.27Å; E230-T234 WeakPolarHBondContact O-CB 3.48Å; E230-T234 PolarHBondContact O-N 3.33Å; E230-T234 PolarHBondContact O-OG1 2.87Å; T234-R236 PolarHBondContact O-N 3.09Å; T234-R236 VanDerWaalsContact O-N 3.12Å; T234-G237 PolarHBondContact O-N 2.85Å; T234-G237 VanDerWaalsContact O-N 3.17Å; T234-I238 WeakPolarHBondContact CA-O 3.49Å; T234-H515 PolarHBondContact O-CE1 3.27Å; T234-H515 PolarHBondContact O-NE2 3.26Å
235	P	93.4	Very high	95.8	Very high	109 Å²	109	40.7 Å²	40.7	71%	0.708	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-65.6	-16.3	177.1	-20.3	34.2	0	0	0	113.8	E231 G237	E231-P235 WeakPolarHBondContact O-CD 3.27Å; E231-P235 VanDerWaalsContact O-CG 3.29Å; E231-P235 WeakPolarHBondContact O-CG 3.49Å; P235-G237 VanDerWaalsContact C-N 3.34Å
236	R	94.4	Very high	95.8	Very high	85 Å²	85	40.6 Å²	40.6	32%	0.321	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-94.7	14.7	178.9	-69.6	-175.1	-178.4	-174	9.5	113.2	E198 L232 A233 T234	E198-R236 VanDerWaalsContact CD-NH1 3.35Å; E198-R236 VanDerWaalsContact CD-NH2 3.3Å; E198-R236 IonicContact OE1-CZ 3.75Å; E198-R236 IonicContact OE1-NH1 3.11Å; E198-R236 PolarHBondContact OE1-NH1 3.11Å; E198-R236 IonicContact OE1-NH2 2.77Å; E198-R236 PolarHBondContact OE1-NH2 3.47Å; E198-R236 IonicContact OE2-CZ 3.35Å; E198-R236 IonicContact OE2-NH1 3.74Å; E198-R236 PolarHBondContact OE2-NH1 2.93Å; E198-R236 IonicContact OE2-NH2 2.66Å; E198-R236 PolarHBondContact OE2-NH2 3.32Å; L232-R236 WeakPolarHBondContact O-CG 3.41Å; A233-R236 CarbonylContact O-C 3.52Å; A233-R236 WeakPolarHBondContact O-CA 3.35Å; A233-R236 PolarHBondContact O-N 3.22Å; T234-R236 PolarHBondContact O-N 3.09Å; T234-R236 VanDerWaalsContact O-N 3.12Å
237	G	91.3	Very high	95.6	Very high	27 Å²	27	41.2 Å²	41.2	28%	0.278	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	11.8	173.6	0	0	0	0	0	115	A233 T234 P235 H515 C516	A233-G237 PolarHBondContact O-N 3.15Å; T234-G237 PolarHBondContact O-N 2.85Å; T234-G237 VanDerWaalsContact O-N 3.17Å; P235-G237 VanDerWaalsContact C-N 3.34Å; G237-H515 WeakPolarHBondContact CA-NE2 3.49Å; G237-C516 WeakPolarHBondContact O-CB 3.31Å
238	I	95.4	Very high	95.1	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.223	C	C	.	.			trans	-105.8	119	179.3	-57.6	169.2	0	0	0	108.7	V201 L204 Q205 V210 I212 A233 T234	V201-I238 HydrophobicContact CG1-CD1 4.32Å; L204-I238 HydrophobicContact CB-CD1 3.81Å; L204-I238 HydrophobicContact CD1-CD1 4.18Å; Q205-I238 HydrophobicContact CG-CD1 4.01Å; V210-I238 CarbonylContact O-C 3.51Å; I212-I238 HydrophobicContact CD1-CG2 3.79Å; I212-I238 HydrophobicContact CG1-CG2 3.91Å; I212-I238 HydrophobicContact CG2-CG2 4.08Å; A233-I238 CarbonylContact C-O 3.46Å; A233-I238 HydrophobicContact CB-CB 3.98Å; A233-I238 HydrophobicContact CB-CD1 4.37Å; A233-I238 HydrophobicContact CB-CG2 4.19Å; A233-I238 PolarHBondContact O-N 2.99Å; A233-I238 VanDerWaalsContact O-N 3.12Å; T234-I238 WeakPolarHBondContact CA-O 3.49Å
239	C	94.5	Very high	94.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.014	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	144.5	175.9	-53.7	0	0	0	0	112.6	V210 W211 I212 H514 C516	V210-C239 PolarHBondContact O-N 3.31Å; W211-C239 HydrophobicContact CE3-CB 3.72Å; W211-C239 HydrophobicContact CZ3-CB 3.64Å; I212-C239 PolarHBondContact N-O 3.45Å; I212-C239 VanDerWaalsContact N-O 3.08Å; C239-H514 HydrophobicContact CB-CB 4.27Å; C239-C516 HydrophobicContact CB-CB 4.37Å; C239-C516 WeakPolarHBondContact CB-SG 3.44Å; C239-C516 WeakPolarHBondContact SG-CB 3.31Å; C239-C516 PolarHBondContact SG-N 3.15Å; C239-C516 CovalentContact SG-SG 2.02Å; C239-C516 PolarHBondContact SG-SG 3.48Å
240	V	95.6	Very high	94.2	Very high	14 Å²	14	43.8 Å²	43.8	9%	0.085	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	109	174.6	-177.5	0	0	0	0	109.4	I212 L214 E230 F242 K243 H514	I212-V240 HydrophobicContact CG1-CG2 4.36Å; L214-V240 HydrophobicContact CB-CG1 4.36Å; L214-V240 HydrophobicContact CD1-CG1 4.01Å; L214-V240 HydrophobicContact CD1-CG2 3.64Å; L214-V240 HydrophobicContact CG-CG1 3.88Å; L214-V240 HydrophobicContact CG-CG2 4.05Å; E230-V240 HydrophobicContact CB-CG2 4.4Å; E230-V240 HydrophobicContact CG-CG2 4.14Å; V240-F242 WeakPolarHBondContact CG1-O 3.42Å; V240-K243 HydrophobicContact CG1-CB 4.03Å; V240-H514 PolarHBondContact O-CE1 3Å; V240-H514 VanDerWaalsContact O-CE1 3.31Å
241	A	94.3	Very high	93.9	Very high	29 Å²	29	47.5 Å²	47.5	24%	0.24	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-34.3	178.6	0	0	0	0	0	113	W211 I212 A267 T269	W211-A241 HydrophobicContact CD2-CB 3.8Å; W211-A241 HydrophobicContact CE3-CB 4.27Å; W211-A241 HydrophobicContact CG-CB 4.49Å; W211-A241 HydrophobicContact CH2-CB 3.68Å; W211-A241 HydrophobicContact CZ2-CB 3.14Å; W211-A241 HydrophobicContact CZ3-CB 4.21Å; I212-A241 WeakPolarHBondContact O-CB 3.41Å; I212-A241 PolarHBondContact O-N 3.4Å; A241-A267 HydrophobicContact CB-CB 4.12Å; A241-T269 HydrophobicContact CB-CG2 3.32Å
242	F	96	Very high	93.6	Very high	21 Å²	21	43.6 Å²	43.6	9%	0.092	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	132.9	-174.7	168.2	-98.4	0	0	0	108.8	S213 L214 V215 V240 N244 M260 R263 L264 A267	S213-F242 CarbonylContact C-O 3.27Å; S213-F242 VanDerWaalsContact CA-O 3.26Å; S213-F242 WeakPolarHBondContact CA-O 3.17Å; L214-F242 PolarHBondContact N-O 2.91Å; V215-F242 HydrophobicContact CG2-CE1 4.18Å; V240-F242 WeakPolarHBondContact CG1-O 3.42Å; F242-N244 HydrophobicContact CE1-CB 3.84Å; F242-N244 HydrophobicContact CE2-CB 4.07Å; F242-N244 HydrophobicContact CZ-CB 3.46Å; F242-N244 VanDerWaalsContact CZ-CB 3.46Å; F242-M260 HydrophobicContact CE1-CG 4.4Å; F242-M260 HydrophobicContact CZ-CG 3.86Å; F242-R263 HydrophobicContact CD2-CB 3.97Å; F242-R263 HydrophobicContact CE2-CB 3.47Å; F242-R263 VanDerWaalsContact CE2-CB 3.47Å; F242-R263 HydrophobicContact CZ-CB 4.2Å; F242-L264 HydrophobicContact CD1-CB 4.29Å; F242-L264 HydrophobicContact CD1-CD1 3.68Å; F242-L264 HydrophobicContact CE1-CB 3.98Å; F242-L264 HydrophobicContact CE1-CD1 3.96Å; F242-L264 HydrophobicContact CZ-CB 4.4Å; F242-A267 HydrophobicContact CB-CB 3.68Å
243	K	97	Very high	93.3	Very high	85 Å²	85	42.9 Å²	42.9	37%	0.37	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.7	176.8	174.7	173.8	166.4	173.1	0	108.6	L214 V226 E230 V240	L214-K243 VanDerWaalsContact O-CA 3.27Å; L214-K243 WeakPolarHBondContact O-CA 3.49Å; V226-K243 HydrophobicContact CG1-CD 3.82Å; V226-K243 HydrophobicContact CG1-CG 3.8Å; E230-K243 WeakPolarHBondContact OE2-CD 3.34Å; E230-K243 IonicContact OE2-NZ 3.72Å; E230-K243 PolarHBondContact OE2-NZ 2.96Å; V240-K243 HydrophobicContact CG1-CB 4.03Å
244	N	96.9	Very high	93.1	Very high	48 Å²	48	44.5 Å²	44.5	26%	0.257	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	164.1	174.9	-145.9	-28.1	0	0	0	112.3	L214 V215 G216 F242 M260	L214-N244 PolarHBondContact O-N 2.97Å; L214-N244 VanDerWaalsContact O-N 3.07Å; V215-N244 WeakPolarHBondContact CA-O 3.47Å; G216-N244 PolarHBondContact N-O 3.43Å; F242-N244 HydrophobicContact CE1-CB 3.84Å; F242-N244 HydrophobicContact CE2-CB 4.07Å; F242-N244 HydrophobicContact CZ-CB 3.46Å; F242-N244 VanDerWaalsContact CZ-CB 3.46Å; N244-M260 HydrophobicContact CB-CE 4.15Å; N244-M260 HydrophobicContact CB-CG 4.29Å
245	V	97.1	Very high	93.2	Very high	39 Å²	39	46.3 Å²	46.3	24%	0.236	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.8	179.3	179.8	0	0	0	0	109.4	G216 S217 Q223 P247	G216-V245 CarbonylContact O-C 3.6Å; G216-V245 VanDerWaalsContact O-CA 3.29Å; G216-V245 WeakPolarHBondContact O-CA 3.24Å; S217-V245 VanDerWaalsContact C-CG1 3.49Å; S217-V245 WeakPolarHBondContact O-CG1 3.49Å; Q223-V245 HydrophobicContact CG-CG1 3.91Å; Q223-V245 HydrophobicContact CG-CG2 4.04Å; V245-P247 WeakPolarHBondContact O-CD 3.42Å
246	V	96.1	Very high	93.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	118.4	172.7	-176	0	0	0	0	108.1	V215 G216 Y218 A250 M257 M260 L280 F284	V215-V246 HydrophobicContact CG1-CG2 3.88Å; G216-V246 PolarHBondContact O-N 3.31Å; Y218-V246 WeakPolarHBondContact CB-O 3.34Å; Y218-V246 PolarHBondContact N-O 2.91Å; V246-A250 HydrophobicContact CG1-CB 3.76Å; V246-M257 HydrophobicContact CG1-CE 4.39Å; V246-M257 HydrophobicContact CG1-SD 4.09Å; V246-M257 HydrophobicContact CG2-CE 4.45Å; V246-M260 HydrophobicContact CG2-CE 4.05Å; V246-M260 HydrophobicContact CG2-SD 4.17Å; V246-L280 HydrophobicContact CB-CB 4.44Å; V246-L280 HydrophobicContact CG1-CB 4.06Å; V246-L280 HydrophobicContact CG1-CD1 4.44Å; V246-L280 HydrophobicContact CG1-CD2 4.23Å; V246-L280 HydrophobicContact CG1-CG 4.48Å; V246-F284 HydrophobicContact CG2-CB 4.18Å; V246-F284 HydrophobicContact CG2-CD2 3.86Å; V246-F284 HydrophobicContact CG2-CG 4.37Å
247	P	92.7	Very high	93.3	Very high	14 Å²	14	43.8 Å²	43.8	9%	0.091	25%	0.252	C	S	.	.			trans	-72.4	154.4	-177.9	32	-36.8	0	0	0	111.3	V245 S249 A250	V245-P247 WeakPolarHBondContact O-CD 3.42Å; P247-S249 PolarHBondContact O-N 3.36Å; P247-A250 HydrophobicContact CG-CB 3.85Å; P247-A250 WeakPolarHBondContact O-CB 3.34Å; P247-A250 PolarHBondContact O-N 2.9Å
248	L	87.9	Confident	93.5	Very high	65 Å²	65	48.2 Å²	48.2	34%	0.34	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-39.3	178.9	-174.5	60.9	0	0	0	113.5	L52 Y218 A250	L52-L248 HydrophobicContact CD2-CD1 3.82Å; L52-L248 HydrophobicContact CD2-CG 3.88Å; Y218-L248 HydrophobicContact CD1-CB 3.69Å; Y218-L248 HydrophobicContact CD1-CD1 4.35Å; Y218-L248 HydrophobicContact CD1-CD2 4.25Å; Y218-L248 HydrophobicContact CD1-CG 4.32Å; Y218-L248 HydrophobicContact CE1-CB 4.2Å; Y218-L248 HydrophobicContact CE1-CD2 4.1Å; Y218-L248 HydrophobicContact CG-CB 3.97Å; L248-A250 VanDerWaalsContact C-N 3.29Å; L248-A250 PolarHBondContact O-N 3.21Å
249	S	86.1	Confident	93.6	Very high	95 Å²	95	55 Å²	55	66%	0.664	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	17.3	-178.9	70.2	0	0	0	0	114	P247	P247-S249 PolarHBondContact O-N 3.36Å
250	A	89.3	Confident	93.7	Very high	5 Å²	5	55 Å²	55	4%	0.041	29%	0.291	C	S	.	.			trans	-64.4	142.3	-178.2	0	0	0	0	0	111.6	V246 P247 L248 D254 M257 V283	V246-A250 HydrophobicContact CG1-CB 3.76Å; P247-A250 HydrophobicContact CG-CB 3.85Å; P247-A250 WeakPolarHBondContact O-CB 3.34Å; P247-A250 PolarHBondContact O-N 2.9Å; L248-A250 VanDerWaalsContact C-N 3.29Å; L248-A250 PolarHBondContact O-N 3.21Å; A250-D254 WeakPolarHBondContact CA-OD2 3.03Å; A250-M257 HydrophobicContact CB-CG 4.18Å; A250-M257 HydrophobicContact CB-SD 4.07Å; A250-V283 HydrophobicContact CB-CG1 3.76Å
251	Q	90.7	Very high	93.8	Very high	142 Å²	142	54.7 Å²	54.7	66%	0.664	29%	0.289	S	S	*	.			trans	-127.6	148.3	166.1	-67.4	-174.3	-0.9	0	0	110.4	G253 D254	Q251-G253 PolarHBondContact O-N 2.84Å; Q251-D254 PolarHBondContact N-OD2 3.38Å; Q251-D254 WeakPolarHBondContact O-CB 3.38Å; Q251-D254 VanDerWaalsContact O-CG 3.26Å; Q251-D254 PolarHBondContact O-N 3.3Å
252	A	90	Very high	93.9	Very high	39 Å²	39	57.3 Å²	57.3	32%	0.322	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	126.6	177.9	0	0	0	0	0	109.4	R286 L290	A252-R286 HydrophobicContact CB-CB 3.66Å; A252-L290 HydrophobicContact CB-CD1 4.03Å
253	G	89.7	Confident	93.9	Very high	30 Å²	30	63.4 Å²	63.4	31%	0.309	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.4	-2.3	-177.1	0	0	0	0	0	115.5	Q251 Q258	Q251-G253 PolarHBondContact O-N 2.84Å; G253-Q258 PolarHBondContact O-NE2 3.47Å; G253-Q258 VanDerWaalsContact O-NE2 3.11Å
254	D	92.8	Very high	93.9	Very high	34 Å²	34	59.3 Å²	59.3	18%	0.182	30%	0.303	C	S	.	.			trans	-62.4	155.6	174.5	82.4	37	0	0	0	111.7	A250 Q251 R256 M257 Q258	A250-D254 WeakPolarHBondContact CA-OD2 3.03Å; Q251-D254 PolarHBondContact N-OD2 3.38Å; Q251-D254 WeakPolarHBondContact O-CB 3.38Å; Q251-D254 VanDerWaalsContact O-CG 3.26Å; Q251-D254 PolarHBondContact O-N 3.3Å; D254-R256 PolarHBondContact O-N 3.41Å; D254-R256 VanDerWaalsContact O-N 3.1Å; D254-R256 VanDerWaalsContact OD1-CA 3.31Å; D254-R256 WeakPolarHBondContact OD1-CA 3.42Å; D254-R256 VanDerWaalsContact OD1-CB 3.32Å; D254-R256 WeakPolarHBondContact OD1-CB 3.01Å; D254-R256 PolarHBondContact OD1-N 3.35Å; D254-M257 PolarHBondContact O-N 2.93Å; D254-M257 WeakPolarHBondContact OD1-CG 3.4Å; D254-M257 PolarHBondContact OD1-N 3.18Å; D254-Q258 WeakPolarHBondContact O-CG 3.45Å; D254-Q258 PolarHBondContact O-N 3.31Å
255	P	95.2	Very high	93.9	Very high	88 Å²	88	59.1 Å²	59.1	57%	0.571	31%	0.308	S	S	*	.	H	α-helix	trans	-61.6	-21	-177.6	-25.6	34.6	0	0	0	114.8	R259	P255-R259 WeakPolarHBondContact O-CB 3.38Å; P255-R259 VanDerWaalsContact O-CG 3.25Å; P255-R259 WeakPolarHBondContact O-CG 3.21Å; P255-R259 PolarHBondContact O-N 3Å; P255-R259 PolarHBondContact O-NE 3.1Å
256	R	93.5	Very high	93.8	Very high	140 Å²	140	65.8 Å²	65.8	53%	0.528	33%	0.329	S	S	.	.	H	α-helix	trans	-80.7	-43.1	178.1	-176	-179.2	-92.6	-175.9	-3.5	110.2	D254 R259 M260	D254-R256 PolarHBondContact O-N 3.41Å; D254-R256 VanDerWaalsContact O-N 3.1Å; D254-R256 VanDerWaalsContact OD1-CA 3.31Å; D254-R256 WeakPolarHBondContact OD1-CA 3.42Å; D254-R256 VanDerWaalsContact OD1-CB 3.32Å; D254-R256 WeakPolarHBondContact OD1-CB 3.01Å; D254-R256 PolarHBondContact OD1-N 3.35Å; R256-R259 PolarHBondContact O-N 3.39Å; R256-M260 PolarHBondContact O-N 3.06Å
257	M	96.5	Very high	93.7	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.4	-43.1	173.8	-68.4	-52.9	-65.1	0	0	111.2	V246 A250 D254 R259 M260 M261 F284	V246-M257 HydrophobicContact CG1-CE 4.39Å; V246-M257 HydrophobicContact CG1-SD 4.09Å; V246-M257 HydrophobicContact CG2-CE 4.45Å; A250-M257 HydrophobicContact CB-CG 4.18Å; A250-M257 HydrophobicContact CB-SD 4.07Å; D254-M257 PolarHBondContact O-N 2.93Å; D254-M257 WeakPolarHBondContact OD1-CG 3.4Å; D254-M257 PolarHBondContact OD1-N 3.18Å; M257-R259 VanDerWaalsContact C-N 3.33Å; M257-R259 PolarHBondContact O-N 2.94Å; M257-M260 HydrophobicContact CE-SD 4.04Å; M257-M260 WeakPolarHBondContact O-CA 3.42Å; M257-M260 WeakPolarHBondContact O-CB 3.23Å; M257-M260 PolarHBondContact O-N 3.38Å; M257-M260 VanDerWaalsContact O-N 3.09Å; M257-M260 HydrophobicContact SD-CE 4.07Å; M257-M260 HydrophobicContact SD-SD 4.25Å; M257-M261 HydrophobicContact CE-CE 4.36Å; M257-M261 WeakPolarHBondContact O-CG 3.43Å; M257-M261 PolarHBondContact O-N 3.5Å; M257-F284 HydrophobicContact CE-CD2 4.14Å
258	Q	96.4	Very high	93.7	Very high	120 Å²	120	76.2 Å²	76.2	56%	0.561	37%	0.37	S	S	*	.	H	α-helix	trans	-57.3	-45.1	172.6	-72.1	178.2	-11.9	0	0	112	G253 D254 M260 M261 L262	G253-Q258 PolarHBondContact O-NE2 3.47Å; G253-Q258 VanDerWaalsContact O-NE2 3.11Å; D254-Q258 WeakPolarHBondContact O-CG 3.45Å; D254-Q258 PolarHBondContact O-N 3.31Å; Q258-M260 VanDerWaalsContact C-N 3.34Å; Q258-M260 PolarHBondContact O-N 3.27Å; Q258-M261 PolarHBondContact O-N 3.29Å; Q258-L262 WeakPolarHBondContact O-CB 3.47Å; Q258-L262 PolarHBondContact O-N 2.89Å
259	R	96.4	Very high	94	Very high	145 Å²	145	73.1 Å²	73.1	55%	0.547	35%	0.354	S	S	.	.	H	α-helix	trans	-64.6	-36.9	174.9	-77.6	-178.7	-66.5	-177.7	0.8	112.4	P255 R256 M257 R263	P255-R259 WeakPolarHBondContact O-CB 3.38Å; P255-R259 VanDerWaalsContact O-CG 3.25Å; P255-R259 WeakPolarHBondContact O-CG 3.21Å; P255-R259 PolarHBondContact O-N 3Å; P255-R259 PolarHBondContact O-NE 3.1Å; R256-R259 PolarHBondContact O-N 3.39Å; M257-R259 VanDerWaalsContact C-N 3.33Å; M257-R259 PolarHBondContact O-N 2.94Å; R259-R263 WeakPolarHBondContact O-CB 3.3Å; R259-R263 VanDerWaalsContact O-CG 3.31Å; R259-R263 WeakPolarHBondContact O-CG 3.47Å; R259-R263 PolarHBondContact O-N 3.45Å
260	M	97.2	Very high	94.5	Very high	3 Å²	3	70.2 Å²	70.2	2%	0.015	33%	0.332	C	S	.	.	H	α-helix	trans	-61.6	-49.5	174.3	-173.9	-172	-70.5	0	0	110.7	V215 F242 N244 V246 R256 M257 Q258 L262 R263 L264 F284	V215-M260 HydrophobicContact CG1-SD 4.4Å; F242-M260 HydrophobicContact CE1-CG 4.4Å; F242-M260 HydrophobicContact CZ-CG 3.86Å; N244-M260 HydrophobicContact CB-CE 4.15Å; N244-M260 HydrophobicContact CB-CG 4.29Å; V246-M260 HydrophobicContact CG2-CE 4.05Å; V246-M260 HydrophobicContact CG2-SD 4.17Å; R256-M260 PolarHBondContact O-N 3.06Å; M257-M260 HydrophobicContact CE-SD 4.04Å; M257-M260 WeakPolarHBondContact O-CA 3.42Å; M257-M260 WeakPolarHBondContact O-CB 3.23Å; M257-M260 PolarHBondContact O-N 3.38Å; M257-M260 VanDerWaalsContact O-N 3.09Å; M257-M260 HydrophobicContact SD-CE 4.07Å; M257-M260 HydrophobicContact SD-SD 4.25Å; Q258-M260 VanDerWaalsContact C-N 3.34Å; Q258-M260 PolarHBondContact O-N 3.27Å; M260-L262 PolarHBondContact O-N 3.15Å; M260-R263 PolarHBondContact O-N 3.41Å; M260-L264 WeakPolarHBondContact O-CB 3.39Å; M260-L264 PolarHBondContact O-N 2.98Å; M260-F284 HydrophobicContact SD-CD2 4.11Å; M260-F284 HydrophobicContact SD-CE2 4.01Å
261	M	97.3	Very high	94.9	Very high	6 Å²	6	70 Å²	70	3%	0.03	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-43.1	179.3	-65.5	-55.7	102.5	0	0	111.9	M257 Q258 R263 L264 A265 F284 V288 A291 L293	M257-M261 HydrophobicContact CE-CE 4.36Å; M257-M261 WeakPolarHBondContact O-CG 3.43Å; M257-M261 PolarHBondContact O-N 3.5Å; Q258-M261 PolarHBondContact O-N 3.29Å; M261-R263 VanDerWaalsContact C-N 3.33Å; M261-R263 PolarHBondContact O-N 3.29Å; M261-L264 HydrophobicContact CE-CD2 4.46Å; M261-L264 PolarHBondContact O-N 2.88Å; M261-A265 WeakPolarHBondContact O-CB 3.24Å; M261-A265 PolarHBondContact O-N 2.94Å; M261-F284 HydrophobicContact CE-CD2 3.91Å; M261-F284 HydrophobicContact CE-CE2 3.46Å; M261-F284 VanDerWaalsContact CE-CE2 3.46Å; M261-F284 HydrophobicContact CE-CZ 4.22Å; M261-V288 HydrophobicContact CE-CG2 4.41Å; M261-V288 HydrophobicContact SD-CB 4.41Å; M261-V288 HydrophobicContact SD-CG2 3.77Å; M261-A291 HydrophobicContact CB-CB 3.66Å; M261-A291 HydrophobicContact CG-CB 3.81Å; M261-L293 HydrophobicContact CB-CD1 4.3Å; M261-L293 HydrophobicContact SD-CD1 3.7Å
262	L	96.7	Very high	95.3	Very high	85 Å²	85	63.2 Å²	63.2	45%	0.445	30%	0.299	S	S	.	.	H	α-helix	trans	-58.7	-43.5	175.3	-173.4	91	0	0	0	111.8	Q258 M260 R266	Q258-L262 WeakPolarHBondContact O-CB 3.47Å; Q258-L262 PolarHBondContact O-N 2.89Å; M260-L262 PolarHBondContact O-N 3.15Å; L262-R266 WeakPolarHBondContact O-CB 3.2Å; L262-R266 VanDerWaalsContact O-CG 3.27Å; L262-R266 WeakPolarHBondContact O-CG 3.45Å; L262-R266 PolarHBondContact O-N 3.38Å
263	R	97.2	Very high	95.7	Very high	148 Å²	148	61.4 Å²	61.4	56%	0.558	28%	0.284	S	S	*	.	H	α-helix	trans	-70.4	-40.9	178.6	-73.2	177.8	179.6	-170.2	-0.8	111.9	F242 R259 M260 M261 A265 R266 A267	F242-R263 HydrophobicContact CD2-CB 3.97Å; F242-R263 HydrophobicContact CE2-CB 3.47Å; F242-R263 VanDerWaalsContact CE2-CB 3.47Å; F242-R263 HydrophobicContact CZ-CB 4.2Å; R259-R263 WeakPolarHBondContact O-CB 3.3Å; R259-R263 VanDerWaalsContact O-CG 3.31Å; R259-R263 WeakPolarHBondContact O-CG 3.47Å; R259-R263 PolarHBondContact O-N 3.45Å; M260-R263 PolarHBondContact O-N 3.41Å; M261-R263 VanDerWaalsContact C-N 3.33Å; M261-R263 PolarHBondContact O-N 3.29Å; R263-A265 VanDerWaalsContact C-N 3.32Å; R263-A265 PolarHBondContact O-N 3.01Å; R263-R266 PolarHBondContact O-N 3.34Å; R263-A267 PolarHBondContact O-N 3.33Å
264	L	96.9	Very high	96.1	Very high	0 Å²	0	60 Å²	60	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-43.1	174.7	-177.4	61.5	0	0	0	111.1	F242 M260 M261 R266 A267 V272 F284 L293 W298	F242-L264 HydrophobicContact CD1-CB 4.29Å; F242-L264 HydrophobicContact CD1-CD1 3.68Å; F242-L264 HydrophobicContact CE1-CB 3.98Å; F242-L264 HydrophobicContact CE1-CD1 3.96Å; F242-L264 HydrophobicContact CZ-CB 4.4Å; M260-L264 WeakPolarHBondContact O-CB 3.39Å; M260-L264 PolarHBondContact O-N 2.98Å; M261-L264 HydrophobicContact CE-CD2 4.46Å; M261-L264 PolarHBondContact O-N 2.88Å; L264-R266 PolarHBondContact O-N 3.19Å; L264-A267 WeakPolarHBondContact O-CB 3.49Å; L264-A267 PolarHBondContact O-N 3.36Å; L264-V272 HydrophobicContact CD1-CG1 4.16Å; L264-V272 HydrophobicContact CD1-CG2 3.95Å; L264-F284 HydrophobicContact CD2-CZ 4.26Å; L264-L293 HydrophobicContact CD2-CD1 4.05Å; L264-L293 HydrophobicContact CG-CD1 4.49Å; L264-W298 HydrophobicContact CD2-CH2 4.26Å; L264-W298 HydrophobicContact CD2-CZ3 4.38Å
265	A	95.7	Very high	96.3	Very high	43 Å²	43	58.4 Å²	58.4	36%	0.355	26%	0.26	S	S	.	.	H	α-helix	trans	-61.6	-43.8	173.9	0	0	0	0	0	112.3	M261 R263 A267 R268 L293	M261-A265 WeakPolarHBondContact O-CB 3.24Å; M261-A265 PolarHBondContact O-N 2.94Å; R263-A265 VanDerWaalsContact C-N 3.32Å; R263-A265 PolarHBondContact O-N 3.01Å; A265-A267 VanDerWaalsContact C-N 3.3Å; A265-A267 PolarHBondContact O-N 3.16Å; A265-R268 PolarHBondContact O-N 2.7Å; A265-L293 HydrophobicContact CB-CD2 3.84Å
266	R	95.7	Very high	96.4	Very high	180 Å²	180	54.2 Å²	54.2	68%	0.679	23%	0.234	S	C	*	.	H	α-helix	trans	-67.6	-26.1	178.9	-75.3	175.2	-177.1	-177.6	0.2	113.7	L262 R263 L264 R268	L262-R266 WeakPolarHBondContact O-CB 3.2Å; L262-R266 VanDerWaalsContact O-CG 3.27Å; L262-R266 WeakPolarHBondContact O-CG 3.45Å; L262-R266 PolarHBondContact O-N 3.38Å; R263-R266 PolarHBondContact O-N 3.34Å; L264-R266 PolarHBondContact O-N 3.19Å; R266-R268 PolarHBondContact O-N 3.22Å
267	A	93.8	Very high	96.3	Very high	19 Å²	19	48.8 Å²	48.8	16%	0.157	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.7	176.7	0	0	0	0	0	113	W211 A241 F242 R263 L264 A265 T269	W211-A267 PolarHBondContact NE1-O 2.8Å; A241-A267 HydrophobicContact CB-CB 4.12Å; F242-A267 HydrophobicContact CB-CB 3.68Å; R263-A267 PolarHBondContact O-N 3.33Å; L264-A267 WeakPolarHBondContact O-CB 3.49Å; L264-A267 PolarHBondContact O-N 3.36Å; A265-A267 VanDerWaalsContact C-N 3.3Å; A265-A267 PolarHBondContact O-N 3.16Å; A267-T269 HydrophobicContact CB-CG2 4.38Å; A267-T269 PolarHBondContact O-N 2.92Å; A267-T269 VanDerWaalsContact O-N 3.08Å
268	R	92.1	Very high	95.9	Very high	214 Å²	214	50.5 Å²	50.5	81%	0.808	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	28.7	178.5	-64.3	179.6	175.7	177.4	-1	113.7	A265 R266	A265-R268 PolarHBondContact O-N 2.7Å; R266-R268 PolarHBondContact O-N 3.22Å
269	T	95	Very high	95.2	Very high	0 Å²	0	48 Å²	48	0%	0	21%	0.21	C	C	.	.			trans	-79.8	135.3	172.2	45.5	0	0	0	0	109.8	W211 I212 S213 A241 A267 K296	W211-T269 HydrophobicContact CG-CG2 4.17Å; I212-T269 VanDerWaalsContact C-CG2 3.45Å; S213-T269 WeakPolarHBondContact OG-CB 3.42Å; S213-T269 WeakPolarHBondContact OG-CG2 3.47Å; S213-T269 PolarHBondContact OG-OG1 3.42Å; A241-T269 HydrophobicContact CB-CG2 3.32Å; A267-T269 HydrophobicContact CB-CG2 4.38Å; A267-T269 PolarHBondContact O-N 2.92Å; A267-T269 VanDerWaalsContact O-N 3.08Å; T269-K296 WeakPolarHBondContact O-CD 3.37Å; T269-K296 WeakPolarHBondContact O-CE 3.42Å; T269-K296 PolarHBondContact O-NZ 2.97Å
270	T	95.8	Very high	94.9	Very high	33 Å²	33	41.2 Å²	41.2	20%	0.202	18%	0.184	C	C	.	.	S	Bend	trans	-81.6	-36	171.6	-53.7	0	0	0	0	109.9	K296 V297 P494 V495 S496	T270-K296 CarbonylContact O-C 3.51Å; T270-K296 VanDerWaalsContact O-CA 3.31Å; T270-K296 WeakPolarHBondContact O-CA 3.23Å; T270-V297 PolarHBondContact O-N 3.45Å; T270-P494 HydrophobicContact CG2-CB 3.57Å; T270-V495 PolarHBondContact OG1-O 2.94Å; T270-S496 PolarHBondContact N-OG 3.22Å; T270-S496 VanDerWaalsContact N-OG 3.16Å
271	V	98	Very high	94.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.2	-176.1	-180	0	0	0	0	110.9	L204 W209 I212 S213 V297 I299 S496	L204-V271 HydrophobicContact CD2-CG1 3.7Å; W209-V271 HydrophobicContact CB-CG2 4.18Å; W209-V271 HydrophobicContact CD2-CG1 4.47Å; W209-V271 HydrophobicContact CD2-CG2 3.41Å; W209-V271 VanDerWaalsContact CD2-CG2 3.41Å; W209-V271 HydrophobicContact CE3-CG1 4.01Å; W209-V271 HydrophobicContact CE3-CG2 3.75Å; W209-V271 HydrophobicContact CG-CG2 3.63Å; W209-V271 HydrophobicContact CZ2-CG2 4.23Å; W209-V271 HydrophobicContact CZ3-CG1 4.43Å; W209-V271 HydrophobicContact CZ3-CG2 4.29Å; I212-V271 HydrophobicContact CG2-CB 4.19Å; I212-V271 HydrophobicContact CG2-CG1 4.11Å; S213-V271 PolarHBondContact N-O 3.24Å; V271-V297 CarbonylContact C-O 3.57Å; V271-V297 WeakPolarHBondContact CA-O 3.29Å; V271-V297 HydrophobicContact CG2-CB 4.15Å; V271-I299 HydrophobicContact CG1-CG1 3.96Å; V271-S496 PolarHBondContact N-OG 3.11Å
272	V	98.5	Very high	94.3	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117.5	177.2	-170.2	0	0	0	0	108.8	S213 V215 L264 V274 V297 W298 I299	S213-V272 CarbonylContact O-C 3.51Å; S213-V272 WeakPolarHBondContact O-CA 3.33Å; V215-V272 HydrophobicContact CG2-CG1 4.1Å; L264-V272 HydrophobicContact CD1-CG1 4.16Å; L264-V272 HydrophobicContact CD1-CG2 3.95Å; V272-V274 HydrophobicContact CG1-CG2 4.12Å; V272-V297 PolarHBondContact N-O 3.2Å; V272-W298 HydrophobicContact CB-CE3 3.71Å; V272-W298 HydrophobicContact CB-CZ3 3.73Å; V272-W298 HydrophobicContact CG1-CE3 4.07Å; V272-W298 HydrophobicContact CG1-CZ3 3.81Å; V272-W298 HydrophobicContact CG2-CE3 4.27Å; V272-W298 HydrophobicContact CG2-CH2 4.44Å; V272-W298 HydrophobicContact CG2-CZ3 3.95Å; V272-W298 CarbonylContact O-C 3.51Å; V272-W298 WeakPolarHBondContact O-CA 3.26Å; V272-I299 PolarHBondContact O-N 3.07Å
273	V	98.7	Very high	94.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.2	171.1	-172.2	0	0	0	0	108.2	I200 L204 I212 S213 L214 V215 L229 I299	I200-V273 HydrophobicContact CD1-CG1 4.29Å; I200-V273 HydrophobicContact CG2-CG1 3.95Å; I200-V273 HydrophobicContact CG2-CG2 4.16Å; L204-V273 HydrophobicContact CD1-CG2 4.3Å; L204-V273 HydrophobicContact CD2-CG2 4.34Å; I212-V273 HydrophobicContact CD1-CG2 4.32Å; S213-V273 PolarHBondContact O-N 2.96Å; L214-V273 WeakPolarHBondContact CA-O 3.22Å; L214-V273 HydrophobicContact CD2-CB 3.66Å; L214-V273 HydrophobicContact CD2-CG1 4.44Å; L214-V273 HydrophobicContact CD2-CG2 3.86Å; V215-V273 PolarHBondContact N-O 3.1Å; L229-V273 HydrophobicContact CD1-CG1 3.7Å; V273-I299 HydrophobicContact CB-CB 4.31Å; V273-I299 HydrophobicContact CG1-CB 4.22Å; V273-I299 HydrophobicContact CG1-CG2 4.39Å; V273-I299 HydrophobicContact CG2-CB 4.06Å; V273-I299 HydrophobicContact CG2-CG1 4.23Å
274	V	98.3	Very high	94	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	103.2	179.5	-174.8	0	0	0	0	108.2	V215 V272 F284 F285 W298 I299 S301 W304	V215-V274 CarbonylContact O-C 3.59Å; V215-V274 WeakPolarHBondContact O-CA 3.45Å; V272-V274 HydrophobicContact CG1-CG2 4.12Å; V274-F284 HydrophobicContact CG1-CD1 4.18Å; V274-F284 HydrophobicContact CG1-CE1 4.25Å; V274-F284 HydrophobicContact CG2-CD1 4.45Å; V274-F284 HydrophobicContact CG2-CE1 3.74Å; V274-F284 HydrophobicContact CG2-CZ 4.26Å; V274-F285 HydrophobicContact CG2-CZ 4.34Å; V274-W298 HydrophobicContact CG2-CE3 3.9Å; V274-W298 HydrophobicContact CG2-CZ3 4.35Å; V274-I299 PolarHBondContact N-O 3Å; V274-S301 PolarHBondContact O-N 3.41Å; V274-S301 PolarHBondContact O-OG 3.42Å; V274-W304 HydrophobicContact CB-CZ2 3.81Å; V274-W304 HydrophobicContact CG1-CZ2 4.33Å; V274-W304 HydrophobicContact CG2-CZ2 4.47Å; V274-W304 PolarHBondContact O-NE1 3.4Å
275	F	97.9	Very high	94	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	81.6	179.3	-151.3	-74.9	0	0	0	108.5	D193 Q196 V197 I200 V215 G216 S217 Y221 G222 V226 L229	D193-F275 HydrophobicContact CB-CZ 4.28Å; Q196-F275 HydrophobicContact CG-CE2 3.94Å; Q196-F275 HydrophobicContact CG-CZ 4.32Å; V197-F275 HydrophobicContact CG2-CE2 4.33Å; I200-F275 HydrophobicContact CD1-CD2 4.15Å; I200-F275 HydrophobicContact CD1-CE2 4.17Å; V215-F275 PolarHBondContact O-N 2.82Å; G216-F275 VanDerWaalsContact CA-O 3.25Å; G216-F275 WeakPolarHBondContact CA-O 3.39Å; S217-F275 PolarHBondContact N-O 3.31Å; Y221-F275 HydrophobicContact CD1-CD1 4.27Å; Y221-F275 HydrophobicContact CD1-CE1 4.29Å; Y221-F275 AromaticContact CD2-CE1 3.76Å; Y221-F275 HydrophobicContact CD2-CE1 3.76Å; Y221-F275 AromaticContact CE1-CD1 3.88Å; Y221-F275 HydrophobicContact CE1-CD1 3.88Å; Y221-F275 AromaticContact CE1-CE1 3.92Å; Y221-F275 HydrophobicContact CE1-CE1 3.92Å; Y221-F275 HydrophobicContact CE2-CD1 4.19Å; Y221-F275 AromaticContact CE2-CE1 3.38Å; Y221-F275 HydrophobicContact CE2-CE1 3.38Å; Y221-F275 HydrophobicContact CE2-CZ 4.03Å; Y221-F275 HydrophobicContact CG-CE1 4.22Å; Y221-F275 AromaticContact CZ-CD1 3.85Å; Y221-F275 AromaticContact CZ-CE1 3.47Å; Y221-F275 VanDerWaalsContact CZ-CE1 3.47Å; G222-F275 VanDerWaalsContact CA-O 3.31Å; G222-F275 WeakPolarHBondContact CA-O 3.31Å; V226-F275 HydrophobicContact CG2-CB 4.08Å; L229-F275 HydrophobicContact CD1-CB 4.36Å; L229-F275 HydrophobicContact CD1-CD2 3.77Å; L229-F275 HydrophobicContact CD1-CG 4.42Å
276	S	96.1	Very high	94.1	Very high	1 Å²	1	34 Å²	34	1%	0.007	15%	0.145	C	C	.	.			trans	-132.3	141.6	-165.3	-177.2	0	0	0	0	111.2	S217 D281 S301	S217-S276 WeakPolarHBondContact CB-OG 3.35Å; S276-D281 PolarHBondContact OG-N 3.46Å; S276-S301 PolarHBondContact N-OG 3.31Å
277	N	91.8	Very high	94.1	Very high	25 Å²	25	25.7 Å²	25.7	13%	0.134	11%	0.114	C	C	.	.			trans	-70.2	158.3	167.6	62.1	36.8	0	0	0	111.9	S217 Y218 Y221 H279 L280 D281 D303	S217-N277 PolarHBondContact OG-N 3Å; S217-N277 PolarHBondContact OG-ND2 2.99Å; Y218-N277 PolarHBondContact O-ND2 2.89Å; Y221-N277 HydrophobicContact CD1-CB 4.23Å; N277-H279 PolarHBondContact O-N 3.36Å; N277-H279 PolarHBondContact OD1-N 2.97Å; N277-L280 PolarHBondContact O-N 3.31Å; N277-L280 PolarHBondContact OD1-N 2.88Å; N277-D281 PolarHBondContact O-N 2.68Å; N277-D281 VanDerWaalsContact O-N 3.15Å; N277-D303 WeakPolarHBondContact CA-OD2 3.5Å
278	R	88.4	Confident	94.3	Very high	36 Å²	36	24.8 Å²	24.8	14%	0.136	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-11.6	178.9	-76.2	-177.7	-61.9	149.6	-5	116.2	H72 D148 E171 D281 D303 N309	H72-R278 VanDerWaalsContact CD2-CZ 3.48Å; H72-R278 PolarHBondContact CD2-NH1 3.46Å; H72-R278 PolarHBondContact CD2-NH2 3.08Å; H72-R278 PolarHBondContact NE2-NH1 2.67Å; H72-R278 PolarHBondContact NE2-NH2 3.23Å; D148-R278 IonicContact OD2-NH2 3.43Å; E171-R278 IonicContact OE2-NH2 2.75Å; R278-D281 WeakPolarHBondContact CA-OD1 3.35Å; R278-D303 VanDerWaalsContact CD-O 3.25Å; R278-D303 WeakPolarHBondContact CD-O 3.31Å; R278-D303 WeakPolarHBondContact CG-O 3.08Å; R278-D303 PolarHBondContact N-OD2 3.24Å; R278-D303 IonicContact NE-OD1 3.62Å; R278-D303 PolarHBondContact NE-OD1 3.04Å; R278-N309 PolarHBondContact O-ND2 3.41Å
279	H	80.7	Confident	94.5	Very high	69 Å²	69	16.2 Å²	16.2	32%	0.319	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-38.7	178.9	-173.5	66.7	0	0	0	111.6	L52 N277	L52-H279 WeakPolarHBondContact CD1-NE2 3.35Å; L52-H279 WeakPolarHBondContact CD2-NE2 3.31Å; N277-H279 PolarHBondContact O-N 3.36Å; N277-H279 PolarHBondContact OD1-N 2.97Å
280	L	90.5	Very high	94.5	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-17	-172.3	-67.7	176	0	0	0	113.9	V246 N277 G282 V283 F284	V246-L280 HydrophobicContact CB-CB 4.44Å; V246-L280 HydrophobicContact CG1-CB 4.06Å; V246-L280 HydrophobicContact CG1-CD1 4.44Å; V246-L280 HydrophobicContact CG1-CD2 4.23Å; V246-L280 HydrophobicContact CG1-CG 4.48Å; N277-L280 PolarHBondContact O-N 3.31Å; N277-L280 PolarHBondContact OD1-N 2.88Å; L280-G282 VanDerWaalsContact C-N 3.33Å; L280-G282 PolarHBondContact O-N 3.01Å; L280-V283 PolarHBondContact O-N 3.09Å; L280-F284 PolarHBondContact O-N 3.2Å
281	D	90.6	Very high	94.5	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-57.9	-43.2	176.2	64.3	-11.8	0	0	0	111.9	S276 N277 R278 V283 F284 F285 W304 I310	S276-D281 PolarHBondContact OG-N 3.46Å; N277-D281 PolarHBondContact O-N 2.68Å; N277-D281 VanDerWaalsContact O-N 3.15Å; R278-D281 WeakPolarHBondContact CA-OD1 3.35Å; D281-V283 VanDerWaalsContact C-N 3.35Å; D281-V283 PolarHBondContact O-N 2.87Å; D281-F284 WeakPolarHBondContact O-CB 3.37Å; D281-F284 PolarHBondContact O-N 2.93Å; D281-F285 VanDerWaalsContact O-CD2 3.29Å; D281-F285 WeakPolarHBondContact O-CD2 3.36Å; D281-F285 PolarHBondContact O-N 3.45Å; D281-W304 HydrophobicContact CB-CB 4.37Å; D281-W304 HydrophobicContact CB-CG 4.42Å; D281-W304 WeakPolarHBondContact OD2-CB 3.43Å; D281-I310 VanDerWaalsContact C-CD1 3.47Å; D281-I310 HydrophobicContact CB-CD1 3.84Å; D281-I310 HydrophobicContact CB-CG1 4.37Å; D281-I310 VanDerWaalsContact CG-CD1 3.46Å
282	G	91.4	Very high	94.4	Very high	5 Å²	5	28.4 Å²	28.4	5%	0.052	15%	0.147	C	C	.	.	H	α-helix	trans	-65.9	-37.3	179.8	0	0	0	0	0	112.2	L280 R286 I310	L280-G282 VanDerWaalsContact C-N 3.33Å; L280-G282 PolarHBondContact O-N 3.01Å; G282-R286 VanDerWaalsContact O-CB 3.29Å; G282-R286 WeakPolarHBondContact O-CB 3.22Å; G282-R286 VanDerWaalsContact O-CG 3.27Å; G282-R286 WeakPolarHBondContact O-CG 3.46Å; G282-R286 PolarHBondContact O-N 2.85Å; G282-R286 PolarHBondContact O-NE 3Å; G282-I310 VanDerWaalsContact CA-CD1 3.49Å
283	V	92.8	Very high	94.2	Very high	16 Å²	16	29.4 Å²	29.4	10%	0.097	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-42.4	174	177.8	0	0	0	0	110.6	A250 L280 D281 S287	A250-V283 HydrophobicContact CB-CG1 3.76Å; L280-V283 PolarHBondContact O-N 3.09Å; D281-V283 VanDerWaalsContact C-N 3.35Å; D281-V283 PolarHBondContact O-N 2.87Å; V283-S287 WeakPolarHBondContact O-CB 3.33Å; V283-S287 PolarHBondContact O-N 3.35Å; V283-S287 VanDerWaalsContact O-N 3.09Å; V283-S287 PolarHBondContact O-OG 3.08Å
284	F	96	Very high	93.9	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-54.1	176.7	178.8	-100.9	0	0	0	111.5	V215 V246 M257 M260 M261 L264 V274 L280 D281 R286 S287 V288 W298	V215-F284 HydrophobicContact CB-CE2 4.14Å; V215-F284 HydrophobicContact CB-CZ 4.22Å; V215-F284 HydrophobicContact CG1-CD2 3.87Å; V215-F284 HydrophobicContact CG1-CE2 3.58Å; V215-F284 HydrophobicContact CG1-CZ 4.11Å; V215-F284 HydrophobicContact CG2-CE2 3.91Å; V215-F284 HydrophobicContact CG2-CZ 3.95Å; V246-F284 HydrophobicContact CG2-CB 4.18Å; V246-F284 HydrophobicContact CG2-CD2 3.86Å; V246-F284 HydrophobicContact CG2-CG 4.37Å; M257-F284 HydrophobicContact CE-CD2 4.14Å; M260-F284 HydrophobicContact SD-CD2 4.11Å; M260-F284 HydrophobicContact SD-CE2 4.01Å; M261-F284 HydrophobicContact CE-CD2 3.91Å; M261-F284 HydrophobicContact CE-CE2 3.46Å; M261-F284 VanDerWaalsContact CE-CE2 3.46Å; M261-F284 HydrophobicContact CE-CZ 4.22Å; L264-F284 HydrophobicContact CD2-CZ 4.26Å; V274-F284 HydrophobicContact CG1-CD1 4.18Å; V274-F284 HydrophobicContact CG1-CE1 4.25Å; V274-F284 HydrophobicContact CG2-CD1 4.45Å; V274-F284 HydrophobicContact CG2-CE1 3.74Å; V274-F284 HydrophobicContact CG2-CZ 4.26Å; L280-F284 PolarHBondContact O-N 3.2Å; D281-F284 WeakPolarHBondContact O-CB 3.37Å; D281-F284 PolarHBondContact O-N 2.93Å; F284-R286 PolarHBondContact O-N 3.16Å; F284-S287 CarbonylContact O-C 3.56Å; F284-S287 WeakPolarHBondContact O-CA 3.47Å; F284-S287 VanDerWaalsContact O-CB 3.25Å; F284-S287 WeakPolarHBondContact O-CB 3.28Å; F284-S287 PolarHBondContact O-N 2.97Å; F284-V288 HydrophobicContact CD1-CG2 4.04Å; F284-V288 HydrophobicContact CE1-CG2 3.64Å; F284-V288 HydrophobicContact CE2-CG2 4.39Å; F284-V288 HydrophobicContact CZ-CG2 3.84Å; F284-V288 WeakPolarHBondContact O-CG2 3.19Å; F284-V288 PolarHBondContact O-N 3.31Å; F284-W298 HydrophobicContact CE1-CE3 4.31Å; F284-W298 HydrophobicContact CE1-CH2 4.47Å; F284-W298 AromaticContact CE1-CZ3 3.76Å; F284-W298 HydrophobicContact CE1-CZ3 3.76Å; F284-W298 AromaticContact CZ-CZ3 3.91Å; F284-W298 HydrophobicContact CZ-CZ3 3.91Å
285	F	97	Very high	93.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.8	-33.1	-176.8	-78	-67.9	0	0	0	113.6	V274 D281 S287 V288 V289 W298 W304 I310 I316 I319	V274-F285 HydrophobicContact CG2-CZ 4.34Å; D281-F285 VanDerWaalsContact O-CD2 3.29Å; D281-F285 WeakPolarHBondContact O-CD2 3.36Å; D281-F285 PolarHBondContact O-N 3.45Å; F285-S287 PolarHBondContact O-N 2.81Å; F285-V288 HydrophobicContact CD1-CB 4.45Å; F285-V288 HydrophobicContact CD1-CG2 4.36Å; F285-V288 WeakPolarHBondContact O-CB 3.48Å; F285-V288 PolarHBondContact O-N 2.89Å; F285-V289 WeakPolarHBondContact O-CG2 3.28Å; F285-V289 PolarHBondContact O-N 3.32Å; F285-W298 AromaticContact CE1-CD2 3.94Å; F285-W298 HydrophobicContact CE1-CD2 3.94Å; F285-W298 HydrophobicContact CE1-CE3 4Å; F285-W298 HydrophobicContact CE1-CG 4.24Å; F285-W298 HydrophobicContact CE1-CZ3 4.49Å; F285-W298 HydrophobicContact CZ-CE3 4.43Å; F285-W304 HydrophobicContact CE1-CH2 4.44Å; F285-W304 HydrophobicContact CE2-CD2 4.26Å; F285-W304 AromaticContact CE2-CE3 3.98Å; F285-W304 HydrophobicContact CE2-CE3 3.98Å; F285-W304 AromaticContact CE2-CH2 3.62Å; F285-W304 HydrophobicContact CE2-CH2 3.62Å; F285-W304 AromaticContact CE2-CZ2 3.88Å; F285-W304 HydrophobicContact CE2-CZ2 3.88Å; F285-W304 AromaticContact CE2-CZ3 3.67Å; F285-W304 HydrophobicContact CE2-CZ3 3.67Å; F285-W304 HydrophobicContact CZ-CE3 4.49Å; F285-W304 AromaticContact CZ-CH2 3.33Å; F285-W304 HydrophobicContact CZ-CH2 3.33Å; F285-W304 AromaticContact CZ-CZ2 3.76Å; F285-W304 HydrophobicContact CZ-CZ2 3.76Å; F285-W304 AromaticContact CZ-CZ3 3.75Å; F285-W304 HydrophobicContact CZ-CZ3 3.75Å; F285-I310 HydrophobicContact CB-CD1 4.42Å; F285-I310 HydrophobicContact CB-CG2 3.96Å; F285-I310 HydrophobicContact CD1-CG2 4.41Å; F285-I310 HydrophobicContact CD2-CB 4.42Å; F285-I310 HydrophobicContact CD2-CD1 3.74Å; F285-I310 HydrophobicContact CD2-CG1 3.92Å; F285-I310 HydrophobicContact CD2-CG2 3.57Å; F285-I310 HydrophobicContact CE2-CG1 4.37Å; F285-I310 HydrophobicContact CE2-CG2 4.17Å; F285-I310 HydrophobicContact CG-CD1 4.49Å; F285-I310 HydrophobicContact CG-CG2 3.72Å; F285-I316 HydrophobicContact CB-CD1 3.75Å; F285-I316 HydrophobicContact CD1-CD1 3.98Å; F285-I316 HydrophobicContact CG-CD1 4.05Å; F285-I319 HydrophobicContact CD1-CD1 3.75Å; F285-I319 HydrophobicContact CE1-CD1 3.71Å
286	R	96.4	Very high	93.4	Very high	112 Å²	112	37.1 Å²	37.1	42%	0.423	21%	0.206	S	C	.	.	H	α-helix	trans	-58.7	-39.2	166.5	-78.5	-176.2	-72.9	-96.1	2.6	111.5	A252 G282 F284 V289 L290 V313	A252-R286 HydrophobicContact CB-CB 3.66Å; G282-R286 VanDerWaalsContact O-CB 3.29Å; G282-R286 WeakPolarHBondContact O-CB 3.22Å; G282-R286 VanDerWaalsContact O-CG 3.27Å; G282-R286 WeakPolarHBondContact O-CG 3.46Å; G282-R286 PolarHBondContact O-N 2.85Å; G282-R286 PolarHBondContact O-NE 3Å; F284-R286 PolarHBondContact O-N 3.16Å; R286-V289 PolarHBondContact O-N 3.18Å; R286-L290 WeakPolarHBondContact O-CB 3.07Å; R286-L290 VanDerWaalsContact O-CG 3.23Å; R286-L290 WeakPolarHBondContact O-CG 3.48Å; R286-L290 PolarHBondContact O-N 3.35Å; R286-V313 HydrophobicContact CG-CG1 3.72Å; R286-V313 HydrophobicContact CG-CG2 4.11Å
287	S	96.6	Very high	93.5	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.028	21%	0.206	C	C	.	.	H	α-helix	trans	-69.3	-36.3	176	-55.2	0	0	0	0	112.7	V283 F284 F285 L290 A291	V283-S287 WeakPolarHBondContact O-CB 3.33Å; V283-S287 PolarHBondContact O-N 3.35Å; V283-S287 VanDerWaalsContact O-N 3.09Å; V283-S287 PolarHBondContact O-OG 3.08Å; F284-S287 CarbonylContact O-C 3.56Å; F284-S287 WeakPolarHBondContact O-CA 3.47Å; F284-S287 VanDerWaalsContact O-CB 3.25Å; F284-S287 WeakPolarHBondContact O-CB 3.28Å; F284-S287 PolarHBondContact O-N 2.97Å; F285-S287 PolarHBondContact O-N 2.81Å; S287-L290 PolarHBondContact O-N 2.68Å; S287-A291 VanDerWaalsContact O-CB 3.29Å; S287-A291 WeakPolarHBondContact O-CB 3.12Å; S287-A291 PolarHBondContact O-N 3.36Å
288	V	97.1	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.7	-47.2	173.6	169.8	0	0	0	0	110.6	M261 F284 F285 A291 N292 L293 W298 I319	M261-V288 HydrophobicContact CE-CG2 4.41Å; M261-V288 HydrophobicContact SD-CB 4.41Å; M261-V288 HydrophobicContact SD-CG2 3.77Å; F284-V288 HydrophobicContact CD1-CG2 4.04Å; F284-V288 HydrophobicContact CE1-CG2 3.64Å; F284-V288 HydrophobicContact CE2-CG2 4.39Å; F284-V288 HydrophobicContact CZ-CG2 3.84Å; F284-V288 WeakPolarHBondContact O-CG2 3.19Å; F284-V288 PolarHBondContact O-N 3.31Å; F285-V288 HydrophobicContact CD1-CB 4.45Å; F285-V288 HydrophobicContact CD1-CG2 4.36Å; F285-V288 WeakPolarHBondContact O-CB 3.48Å; F285-V288 PolarHBondContact O-N 2.89Å; V288-A291 PolarHBondContact O-N 3.21Å; V288-N292 PolarHBondContact O-N 3.48Å; V288-L293 HydrophobicContact CG1-CB 3.99Å; V288-L293 PolarHBondContact O-N 3.31Å; V288-L293 VanDerWaalsContact O-N 3.15Å; V288-W298 HydrophobicContact CB-CH2 4.46Å; V288-W298 HydrophobicContact CG1-CH2 3.72Å; V288-W298 HydrophobicContact CG1-CZ2 3.51Å; V288-W298 HydrophobicContact CG2-CH2 3.76Å; V288-W298 HydrophobicContact CG2-CZ2 4.38Å; V288-W298 HydrophobicContact CG2-CZ3 4.3Å; V288-I319 HydrophobicContact CG1-CB 4.27Å; V288-I319 HydrophobicContact CG1-CG2 3.82Å
289	V	96.6	Very high	94.2	Very high	34 Å²	34	34.2 Å²	34.2	21%	0.206	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-48.6	176.7	174	0	0	0	0	111	F285 R286 A291 N292 V313 S314 I316 I319	F285-V289 WeakPolarHBondContact O-CG2 3.28Å; F285-V289 PolarHBondContact O-N 3.32Å; R286-V289 PolarHBondContact O-N 3.18Å; V289-A291 PolarHBondContact O-N 3.2Å; V289-N292 PolarHBondContact O-N 2.9Å; V289-N292 PolarHBondContact O-OD1 2.84Å; V289-V313 HydrophobicContact CG2-CG1 4.25Å; V289-S314 WeakPolarHBondContact CG1-O 3.47Å; V289-I316 HydrophobicContact CG2-CD1 4.39Å; V289-I319 HydrophobicContact CG2-CG2 4.01Å
290	L	96.1	Very high	95.1	Very high	115 Å²	115	31 Å²	31	60%	0.602	18%	0.178	S	C	*	.	H	α-helix	trans	-58.3	-31.7	177.9	-75.5	171.2	0	0	0	112.9	A252 R286 S287 N292	A252-L290 HydrophobicContact CB-CD1 4.03Å; R286-L290 WeakPolarHBondContact O-CB 3.07Å; R286-L290 VanDerWaalsContact O-CG 3.23Å; R286-L290 WeakPolarHBondContact O-CG 3.48Å; R286-L290 PolarHBondContact O-N 3.35Å; S287-L290 PolarHBondContact O-N 2.68Å; L290-N292 VanDerWaalsContact C-N 3.31Å
291	A	95.8	Very high	95.4	Very high	42 Å²	42	31 Å²	31	35%	0.347	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	1.3	176.9	0	0	0	0	0	113.9	M261 S287 V288 V289 L293	M261-A291 HydrophobicContact CB-CB 3.66Å; M261-A291 HydrophobicContact CG-CB 3.81Å; S287-A291 VanDerWaalsContact O-CB 3.29Å; S287-A291 WeakPolarHBondContact O-CB 3.12Å; S287-A291 PolarHBondContact O-N 3.36Å; V288-A291 PolarHBondContact O-N 3.21Å; V289-A291 PolarHBondContact O-N 3.2Å; A291-L293 HydrophobicContact CB-CD1 4.44Å; A291-L293 HydrophobicContact CB-CG 3.99Å; A291-L293 PolarHBondContact O-N 3.12Å
292	N	95.1	Very high	95.6	Very high	133 Å²	133	31.1 Å²	31.1	71%	0.711	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	39.4	-176.3	-67.7	-34.4	0	0	0	113.2	V288 V289 L290 T294	V288-N292 PolarHBondContact O-N 3.48Å; V289-N292 PolarHBondContact O-N 2.9Å; V289-N292 PolarHBondContact O-OD1 2.84Å; L290-N292 VanDerWaalsContact C-N 3.31Å; N292-T294 PolarHBondContact O-N 2.89Å
293	L	94	Very high	95.8	Very high	20 Å²	20	31.9 Å²	31.9	11%	0.105	18%	0.181	C	C	.	.			trans	-79.8	106.4	175.8	-62.9	-176.9	0	0	0	109.8	M261 L264 A265 V288 A291	M261-L293 HydrophobicContact CB-CD1 4.3Å; M261-L293 HydrophobicContact SD-CD1 3.7Å; L264-L293 HydrophobicContact CD2-CD1 4.05Å; L264-L293 HydrophobicContact CG-CD1 4.49Å; A265-L293 HydrophobicContact CB-CD2 3.84Å; V288-L293 HydrophobicContact CG1-CB 3.99Å; V288-L293 PolarHBondContact O-N 3.31Å; V288-L293 VanDerWaalsContact O-N 3.15Å; A291-L293 HydrophobicContact CB-CD1 4.44Å; A291-L293 HydrophobicContact CB-CG 3.99Å; A291-L293 PolarHBondContact O-N 3.12Å
294	T	92.9	Very high	95.9	Very high	91 Å²	91	31.1 Å²	31.1	56%	0.558	18%	0.177	S	C	*	.			trans	-117.8	170.1	-177.8	60.8	0	0	0	0	111.5	N292 K296 G318	N292-T294 PolarHBondContact O-N 2.89Å; T294-K296 VanDerWaalsContact C-N 3.29Å; T294-K296 PolarHBondContact O-N 3.14Å; T294-G318 WeakPolarHBondContact CB-O 3.33Å; T294-G318 WeakPolarHBondContact CG2-O 3.3Å
295	G	90.3	Very high	95.8	Very high	43 Å²	43	31 Å²	31	44%	0.443	18%	0.176	S	C	.	.	S	Bend	trans	66.6	26.5	173.9	0	0	0	0	0	114.6	I319	G295-I319 PolarHBondContact N-O 3.28Å
296	K	95.4	Very high	95.7	Very high	31 Å²	31	31.2 Å²	31.2	14%	0.135	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	164.3	175.6	-60.5	-58.1	-179	-166.4	0	111.6	T269 T270 T294 W298 I319 G320 T321	T269-K296 WeakPolarHBondContact O-CD 3.37Å; T269-K296 WeakPolarHBondContact O-CE 3.42Å; T269-K296 PolarHBondContact O-NZ 2.97Å; T270-K296 CarbonylContact O-C 3.51Å; T270-K296 VanDerWaalsContact O-CA 3.31Å; T270-K296 WeakPolarHBondContact O-CA 3.23Å; T294-K296 VanDerWaalsContact C-N 3.29Å; T294-K296 PolarHBondContact O-N 3.14Å; K296-W298 HydrophobicContact CB-CD2 4.25Å; K296-W298 HydrophobicContact CB-CH2 4.46Å; K296-W298 HydrophobicContact CB-CZ2 3.67Å; K296-W298 HydrophobicContact CG-CH2 4.24Å; K296-W298 HydrophobicContact CG-CZ2 3.68Å; K296-I319 PolarHBondContact N-O 3.01Å; K296-G320 CarbonylContact O-C 3.53Å; K296-G320 VanDerWaalsContact O-CA 3.3Å; K296-G320 WeakPolarHBondContact O-CA 3.49Å; K296-T321 PolarHBondContact O-N 3.29Å
297	V	97.4	Very high	95.5	Very high	1 Å²	1	26 Å²	26	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.4	160.9	-178.5	0	0	0	0	107.4	W209 T270 V271 V272 I299 T321 W486 P494	W209-V297 HydrophobicContact CH2-CG1 3.74Å; W209-V297 HydrophobicContact CZ2-CG1 4.32Å; W209-V297 HydrophobicContact CZ2-CG2 4.4Å; W209-V297 HydrophobicContact CZ3-CG1 4.27Å; T270-V297 PolarHBondContact O-N 3.45Å; V271-V297 CarbonylContact C-O 3.57Å; V271-V297 WeakPolarHBondContact CA-O 3.29Å; V271-V297 HydrophobicContact CG2-CB 4.15Å; V272-V297 PolarHBondContact N-O 3.2Å; V297-I299 HydrophobicContact CG1-CD1 3.95Å; V297-T321 CarbonylContact C-O 3.44Å; V297-T321 VanDerWaalsContact CA-O 3.29Å; V297-T321 WeakPolarHBondContact CA-O 3.37Å; V297-W486 HydrophobicContact CG1-CZ3 4.1Å; V297-W486 HydrophobicContact CG2-CE3 4.21Å; V297-W486 HydrophobicContact CG2-CZ3 3.89Å; V297-P494 HydrophobicContact CG2-CB 4.26Å; V297-P494 HydrophobicContact CG2-CG 3.76Å
298	W	97.9	Very high	95.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.5	179.7	-52.9	93.7	0	0	0	108.8	L264 V272 V274 F284 F285 V288 K296 W304 I319 T321 V322 L323	L264-W298 HydrophobicContact CD2-CH2 4.26Å; L264-W298 HydrophobicContact CD2-CZ3 4.38Å; V272-W298 HydrophobicContact CB-CE3 3.71Å; V272-W298 HydrophobicContact CB-CZ3 3.73Å; V272-W298 HydrophobicContact CG1-CE3 4.07Å; V272-W298 HydrophobicContact CG1-CZ3 3.81Å; V272-W298 HydrophobicContact CG2-CE3 4.27Å; V272-W298 HydrophobicContact CG2-CH2 4.44Å; V272-W298 HydrophobicContact CG2-CZ3 3.95Å; V272-W298 CarbonylContact O-C 3.51Å; V272-W298 WeakPolarHBondContact O-CA 3.26Å; V274-W298 HydrophobicContact CG2-CE3 3.9Å; V274-W298 HydrophobicContact CG2-CZ3 4.35Å; F284-W298 HydrophobicContact CE1-CE3 4.31Å; F284-W298 HydrophobicContact CE1-CH2 4.47Å; F284-W298 AromaticContact CE1-CZ3 3.76Å; F284-W298 HydrophobicContact CE1-CZ3 3.76Å; F284-W298 AromaticContact CZ-CZ3 3.91Å; F284-W298 HydrophobicContact CZ-CZ3 3.91Å; F285-W298 AromaticContact CE1-CD2 3.94Å; F285-W298 HydrophobicContact CE1-CD2 3.94Å; F285-W298 HydrophobicContact CE1-CE3 4Å; F285-W298 HydrophobicContact CE1-CG 4.24Å; F285-W298 HydrophobicContact CE1-CZ3 4.49Å; F285-W298 HydrophobicContact CZ-CE3 4.43Å; V288-W298 HydrophobicContact CB-CH2 4.46Å; V288-W298 HydrophobicContact CG1-CH2 3.72Å; V288-W298 HydrophobicContact CG1-CZ2 3.51Å; V288-W298 HydrophobicContact CG2-CH2 3.76Å; V288-W298 HydrophobicContact CG2-CZ2 4.38Å; V288-W298 HydrophobicContact CG2-CZ3 4.3Å; K296-W298 HydrophobicContact CB-CD2 4.25Å; K296-W298 HydrophobicContact CB-CH2 4.46Å; K296-W298 HydrophobicContact CB-CZ2 3.67Å; K296-W298 HydrophobicContact CG-CH2 4.24Å; K296-W298 HydrophobicContact CG-CZ2 3.68Å; W298-W304 HydrophobicContact CB-CH2 4.43Å; W298-I319 HydrophobicContact CG-CD1 4.3Å; W298-I319 HydrophobicContact CZ2-CB 4.44Å; W298-I319 PolarHBondContact NE1-O 2.85Å; W298-I319 VanDerWaalsContact NE1-O 3.08Å; W298-T321 PolarHBondContact N-O 3.1Å; W298-V322 HydrophobicContact CB-CG1 4.48Å; W298-V322 HydrophobicContact CB-CG2 4.16Å; W298-V322 HydrophobicContact CG-CG2 4.47Å; W298-V322 WeakPolarHBondContact O-CA 3.07Å; W298-L323 PolarHBondContact O-N 3.37Å
299	I	98.4	Very high	94.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.1	174.1	-49.7	-58	0	0	0	108.4	I200 L203 L204 W209 V271 V272 V273 V274 V297 L323	I200-I299 HydrophobicContact CG1-CG2 4.23Å; I200-I299 HydrophobicContact CG2-CG2 4.08Å; L203-I299 HydrophobicContact CD2-CD1 4.19Å; L203-I299 HydrophobicContact CD2-CG2 4.18Å; L204-I299 HydrophobicContact CD2-CG1 4.31Å; W209-I299 HydrophobicContact CZ3-CD1 3.94Å; V271-I299 HydrophobicContact CG1-CG1 3.96Å; V272-I299 PolarHBondContact O-N 3.07Å; V273-I299 HydrophobicContact CB-CB 4.31Å; V273-I299 HydrophobicContact CG1-CB 4.22Å; V273-I299 HydrophobicContact CG1-CG2 4.39Å; V273-I299 HydrophobicContact CG2-CB 4.06Å; V273-I299 HydrophobicContact CG2-CG1 4.23Å; V274-I299 PolarHBondContact N-O 3Å; V297-I299 HydrophobicContact CG1-CD1 3.95Å; I299-L323 CarbonylContact C-O 3.59Å; I299-L323 VanDerWaalsContact CA-O 3.28Å; I299-L323 WeakPolarHBondContact CA-O 3.48Å; I299-L323 HydrophobicContact CD1-CB 3.91Å; I299-L323 HydrophobicContact CD1-CD1 4.24Å; I299-L323 HydrophobicContact CD1-CG 4.48Å
300	A	98	Very high	94.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	138.4	-177	0	0	0	0	0	112.8	W304 A305 V322 L323 G324 V325	A300-W304 VanDerWaalsContact CA-CE2 3.47Å; A300-W304 HydrophobicContact CB-CD2 3.77Å; A300-W304 HydrophobicContact CB-CE3 3.95Å; A300-W304 HydrophobicContact CB-CH2 3.39Å; A300-W304 HydrophobicContact CB-CZ2 3.18Å; A300-W304 HydrophobicContact CB-CZ3 3.78Å; A300-A305 HydrophobicContact CB-CB 3.69Å; A300-V322 HydrophobicContact CB-CG1 4.41Å; A300-L323 PolarHBondContact N-O 3.39Å; A300-G324 WeakPolarHBondContact O-CA 3.29Å; A300-V325 PolarHBondContact O-N 2.91Å
301	S	97.6	Very high	94.1	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	16%	0.163	C	C	.	.			trans	-78.2	164.1	163.5	62.7	0	0	0	0	111	Y221 V274 S276 D303 W304 A305	Y221-S301 WeakPolarHBondContact OH-CB 3.3Å; Y221-S301 PolarHBondContact OH-OG 2.92Å; V274-S301 PolarHBondContact O-N 3.41Å; V274-S301 PolarHBondContact O-OG 3.42Å; S276-S301 PolarHBondContact N-OG 3.31Å; S301-D303 PolarHBondContact O-N 2.69Å; S301-W304 PolarHBondContact O-N 3.33Å; S301-A305 WeakPolarHBondContact O-CB 3.35Å; S301-A305 PolarHBondContact O-N 3.45Å
302	E	95.2	Very high	93.7	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.019	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-32.7	-171.1	97.2	-61.8	175.4	0	0	114.1	S173 I190 Q196 Y221 W304 V325 I327 Y450	S173-E302 PolarHBondContact OG-OE1 2.92Å; I190-E302 HydrophobicContact CD1-CG 4.03Å; Q196-E302 VanDerWaalsContact CD-OE2 3.3Å; Q196-E302 PolarHBondContact NE2-OE2 3.03Å; Q196-E302 PolarHBondContact OE1-OE2 2.87Å; Q196-E302 VanDerWaalsContact OE1-OE2 3.08Å; Y221-E302 PolarHBondContact OH-OE2 2.75Å; E302-W304 VanDerWaalsContact C-N 3.27Å; E302-W304 PolarHBondContact O-N 3.36Å; E302-V325 WeakPolarHBondContact CA-O 3.09Å; E302-V325 PolarHBondContact N-O 2.8Å; E302-I327 HydrophobicContact CB-CG1 4.33Å; E302-I327 HydrophobicContact CG-CD1 4.38Å; E302-I327 HydrophobicContact CG-CG1 4.03Å; E302-Y450 HydrophobicContact CB-CE1 4.34Å
303	D	94.5	Very high	93.5	Very high	21 Å²	21	24.9 Å²	24.9	11%	0.112	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.4	-175.9	-166	34	0	0	0	112.7	Y221 N277 R278 S301	Y221-D303 HydrophobicContact CE1-CB 4.31Å; N277-D303 WeakPolarHBondContact CA-OD2 3.5Å; R278-D303 VanDerWaalsContact CD-O 3.25Å; R278-D303 WeakPolarHBondContact CD-O 3.31Å; R278-D303 WeakPolarHBondContact CG-O 3.08Å; R278-D303 PolarHBondContact N-OD2 3.24Å; R278-D303 IonicContact NE-OD1 3.62Å; R278-D303 PolarHBondContact NE-OD1 3.04Å; S301-D303 PolarHBondContact O-N 2.69Å
304	W	94.9	Very high	93.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-12.9	-178.2	74.9	-90.6	0	0	0	115.7	V274 D281 F285 W298 A300 S301 E302 I306 S307 I310 V322 W455	V274-W304 HydrophobicContact CB-CZ2 3.81Å; V274-W304 HydrophobicContact CG1-CZ2 4.33Å; V274-W304 HydrophobicContact CG2-CZ2 4.47Å; V274-W304 PolarHBondContact O-NE1 3.4Å; D281-W304 HydrophobicContact CB-CB 4.37Å; D281-W304 HydrophobicContact CB-CG 4.42Å; D281-W304 WeakPolarHBondContact OD2-CB 3.43Å; F285-W304 HydrophobicContact CE1-CH2 4.44Å; F285-W304 HydrophobicContact CE2-CD2 4.26Å; F285-W304 AromaticContact CE2-CE3 3.98Å; F285-W304 HydrophobicContact CE2-CE3 3.98Å; F285-W304 AromaticContact CE2-CH2 3.62Å; F285-W304 HydrophobicContact CE2-CH2 3.62Å; F285-W304 AromaticContact CE2-CZ2 3.88Å; F285-W304 HydrophobicContact CE2-CZ2 3.88Å; F285-W304 AromaticContact CE2-CZ3 3.67Å; F285-W304 HydrophobicContact CE2-CZ3 3.67Å; F285-W304 HydrophobicContact CZ-CE3 4.49Å; F285-W304 AromaticContact CZ-CH2 3.33Å; F285-W304 HydrophobicContact CZ-CH2 3.33Å; F285-W304 AromaticContact CZ-CZ2 3.76Å; F285-W304 HydrophobicContact CZ-CZ2 3.76Å; F285-W304 AromaticContact CZ-CZ3 3.75Å; F285-W304 HydrophobicContact CZ-CZ3 3.75Å; W298-W304 HydrophobicContact CB-CH2 4.43Å; A300-W304 VanDerWaalsContact CA-CE2 3.47Å; A300-W304 HydrophobicContact CB-CD2 3.77Å; A300-W304 HydrophobicContact CB-CE3 3.95Å; A300-W304 HydrophobicContact CB-CH2 3.39Å; A300-W304 HydrophobicContact CB-CZ2 3.18Å; A300-W304 HydrophobicContact CB-CZ3 3.78Å; S301-W304 PolarHBondContact O-N 3.33Å; E302-W304 VanDerWaalsContact C-N 3.27Å; E302-W304 PolarHBondContact O-N 3.36Å; W304-I306 PolarHBondContact O-N 2.94Å; W304-I306 VanDerWaalsContact O-N 3.1Å; W304-S307 PolarHBondContact O-N 3.45Å; W304-I310 HydrophobicContact CE3-CG1 4.12Å; W304-V322 HydrophobicContact CH2-CG1 3.89Å; W304-V322 HydrophobicContact CZ3-CG1 3.95Å; W304-W455 HydrophobicContact CE3-CZ2 4.41Å; W304-W455 HydrophobicContact CZ3-CZ2 4.09Å
305	A	95.8	Very high	93.3	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-37.4	-175.1	0	0	0	0	0	114.7	A300 S301 V325 A326 I453 W455	A300-A305 HydrophobicContact CB-CB 3.69Å; S301-A305 WeakPolarHBondContact O-CB 3.35Å; S301-A305 PolarHBondContact O-N 3.45Å; A305-V325 WeakPolarHBondContact CB-O 3.3Å; A305-A326 HydrophobicContact CB-CB 4.44Å; A305-I453 HydrophobicContact CB-CD1 4.24Å; A305-I453 HydrophobicContact CB-CG1 4.26Å; A305-W455 PolarHBondContact O-NE1 3.26Å
306	I	94.5	Very high	93.5	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123	14.6	-179.4	61.8	164.8	0	0	0	112.5	W304 A326 F382 I453 F464	W304-I306 PolarHBondContact O-N 2.94Å; W304-I306 VanDerWaalsContact O-N 3.1Å; I306-A326 HydrophobicContact CD1-CB 4.31Å; I306-A326 HydrophobicContact CG1-CB 4.34Å; I306-A326 HydrophobicContact CG2-CB 3.77Å; I306-F382 HydrophobicContact CD1-CB 4.2Å; I306-F382 HydrophobicContact CD1-CD2 4.22Å; I306-F382 HydrophobicContact CG1-CB 4.01Å; I306-F382 HydrophobicContact CG1-CD2 3.78Å; I306-F382 HydrophobicContact CG1-CG 4.37Å; I306-I453 HydrophobicContact CG2-CD1 4.37Å; I306-I453 HydrophobicContact CG2-CG1 3.94Å; I306-I453 HydrophobicContact CG2-CG2 4.26Å; I306-F464 HydrophobicContact CB-CD1 4.35Å; I306-F464 HydrophobicContact CB-CE1 3.9Å; I306-F464 HydrophobicContact CB-CE2 4.13Å; I306-F464 HydrophobicContact CB-CZ 3.76Å; I306-F464 HydrophobicContact CD1-CZ 4.36Å; I306-F464 HydrophobicContact CG2-CD1 4.16Å; I306-F464 HydrophobicContact CG2-CD2 3.65Å; I306-F464 HydrophobicContact CG2-CE1 3.97Å; I306-F464 HydrophobicContact CG2-CE2 3.39Å; I306-F464 HydrophobicContact CG2-CG 4Å; I306-F464 HydrophobicContact CG2-CZ 3.57Å
307	S	91.5	Very high	93.2	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.021	18%	0.179	C	C	.	.			trans	-77.6	143	176	176.1	0	0	0	0	110.8	W304 N309 P311	W304-S307 PolarHBondContact O-N 3.45Å; S307-N309 PolarHBondContact O-N 2.97Å; S307-N309 PolarHBondContact OG-N 3.49Å; S307-P311 VanDerWaalsContact O-CD 3.24Å; S307-P311 WeakPolarHBondContact O-CD 3.23Å
308	T	88.7	Confident	92.9	Very high	76 Å²	76	31.1 Å²	31.1	47%	0.466	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-4.9	178.2	53.1	0	0	0	0	113.4	I310 N312 W462	T308-I310 PolarHBondContact O-N 3.26Å; T308-N312 PolarHBondContact O-ND2 3.27Å; T308-W462 HydrophobicContact CG2-CZ3 4.15Å
309	N	85.8	Confident	92.7	Very high	71 Å²	71	31.3 Å²	31.3	38%	0.38	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-42	-177.7	-72.7	-5.6	0	0	0	113.5	R278 S307	R278-N309 PolarHBondContact O-ND2 3.41Å; S307-N309 PolarHBondContact O-N 2.97Å; S307-N309 PolarHBondContact OG-N 3.49Å
310	I	91.8	Very high	92.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-41.7	-174.8	-53.8	-51.3	0	0	0	112.9	D281 G282 F285 W304 T308 N312 V313 I316 W455	D281-I310 VanDerWaalsContact C-CD1 3.47Å; D281-I310 HydrophobicContact CB-CD1 3.84Å; D281-I310 HydrophobicContact CB-CG1 4.37Å; D281-I310 VanDerWaalsContact CG-CD1 3.46Å; G282-I310 VanDerWaalsContact CA-CD1 3.49Å; F285-I310 HydrophobicContact CB-CD1 4.42Å; F285-I310 HydrophobicContact CB-CG2 3.96Å; F285-I310 HydrophobicContact CD1-CG2 4.41Å; F285-I310 HydrophobicContact CD2-CB 4.42Å; F285-I310 HydrophobicContact CD2-CD1 3.74Å; F285-I310 HydrophobicContact CD2-CG1 3.92Å; F285-I310 HydrophobicContact CD2-CG2 3.57Å; F285-I310 HydrophobicContact CE2-CG1 4.37Å; F285-I310 HydrophobicContact CE2-CG2 4.17Å; F285-I310 HydrophobicContact CG-CD1 4.49Å; F285-I310 HydrophobicContact CG-CG2 3.72Å; W304-I310 HydrophobicContact CE3-CG1 4.12Å; T308-I310 PolarHBondContact O-N 3.26Å; I310-N312 PolarHBondContact O-N 3Å; I310-N312 VanDerWaalsContact O-N 3.12Å; I310-V313 VanDerWaalsContact O-CB 3.3Å; I310-V313 WeakPolarHBondContact O-CB 3.39Å; I310-V313 WeakPolarHBondContact O-CG2 3.47Å; I310-V313 PolarHBondContact O-N 3.21Å; I310-I316 HydrophobicContact CG2-CD1 3.63Å; I310-I316 HydrophobicContact CG2-CG1 3.9Å; I310-W455 HydrophobicContact CB-CH2 3.78Å; I310-W455 HydrophobicContact CB-CZ2 4.34Å; I310-W455 HydrophobicContact CG2-CH2 3.6Å; I310-W455 HydrophobicContact CG2-CZ2 4.48Å; I310-W455 HydrophobicContact CG2-CZ3 4.35Å
311	P	90.3	Very high	92.4	Very high	15 Å²	15	32.1 Å²	32.1	10%	0.097	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-30	174.7	-30.3	37.4	0	0	0	114.6	S307 V313 I316 W455 W457 W462	S307-P311 VanDerWaalsContact O-CD 3.24Å; S307-P311 WeakPolarHBondContact O-CD 3.23Å; P311-V313 PolarHBondContact O-N 3.38Å; P311-I316 WeakPolarHBondContact O-CG2 3.41Å; P311-W455 HydrophobicContact CG-CH2 3.77Å; P311-W455 HydrophobicContact CG-CZ2 4.01Å; P311-W455 HydrophobicContact CG-CZ3 4.37Å; P311-W457 HydrophobicContact CB-CH2 4.25Å; P311-W462 HydrophobicContact CB-CB 3.76Å; P311-W462 HydrophobicContact CB-CD2 3.62Å; P311-W462 HydrophobicContact CB-CE3 3.91Å; P311-W462 HydrophobicContact CB-CG 3.56Å; P311-W462 HydrophobicContact CG-CB 4.36Å; P311-W462 HydrophobicContact CG-CD2 3.22Å; P311-W462 HydrophobicContact CG-CE3 3.54Å; P311-W462 HydrophobicContact CG-CG 3.62Å; P311-W462 HydrophobicContact CG-CH2 4.05Å; P311-W462 HydrophobicContact CG-CZ2 3.81Å; P311-W462 HydrophobicContact CG-CZ3 3.94Å
312	N	87.1	Confident	92.3	Very high	129 Å²	129	32.2 Å²	32.2	69%	0.69	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.8	177.9	-71.9	-21	0	0	0	114.3	T308 I310 S314	T308-N312 PolarHBondContact O-ND2 3.27Å; I310-N312 PolarHBondContact O-N 3Å; I310-N312 VanDerWaalsContact O-N 3.12Å; N312-S314 PolarHBondContact O-N 3.1Å
313	V	91.6	Very high	92.5	Very high	13 Å²	13	32 Å²	32	8%	0.079	20%	0.199	C	C	.	.	S	Bend	trans	-74.2	121.3	176.2	175.6	0	0	0	0	109.8	R286 V289 I310 P311 G315 I316	R286-V313 HydrophobicContact CG-CG1 3.72Å; R286-V313 HydrophobicContact CG-CG2 4.11Å; V289-V313 HydrophobicContact CG2-CG1 4.25Å; I310-V313 VanDerWaalsContact O-CB 3.3Å; I310-V313 WeakPolarHBondContact O-CB 3.39Å; I310-V313 WeakPolarHBondContact O-CG2 3.47Å; I310-V313 PolarHBondContact O-N 3.21Å; P311-V313 PolarHBondContact O-N 3.38Å; V313-G315 PolarHBondContact O-N 2.95Å; V313-I316 HydrophobicContact CB-CB 4.18Å; V313-I316 HydrophobicContact CB-CD1 4.27Å; V313-I316 HydrophobicContact CG1-CD1 4.42Å; V313-I316 WeakPolarHBondContact O-CB 3.42Å; V313-I316 VanDerWaalsContact O-CG2 3.22Å; V313-I316 WeakPolarHBondContact O-CG2 3.02Å; V313-I316 PolarHBondContact O-N 2.89Å; V313-I316 VanDerWaalsContact O-N 3.09Å
314	S	91.3	Very high	92.6	Very high	108 Å²	108	31 Å²	31	76%	0.755	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	129.9	177.6	-50.4	0	0	0	0	111.4	V289 N312 I316	V289-S314 WeakPolarHBondContact CG1-O 3.47Å; N312-S314 PolarHBondContact O-N 3.1Å; S314-I316 VanDerWaalsContact C-N 3.34Å
315	G	91.5	Very high	92.7	Very high	46 Å²	46	31 Å²	31	47%	0.474	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	0.5	-179.5	0	0	0	0	0	115.4	V313 Q317 G318	V313-G315 PolarHBondContact O-N 2.95Å; G315-Q317 VanDerWaalsContact C-N 3.26Å; G315-Q317 PolarHBondContact O-N 2.05Å; G315-G318 PolarHBondContact O-N 3.3Å; G315-G318 VanDerWaalsContact O-N 3.16Å
316	I	94.1	Very high	92.7	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.026	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-60.4	-32.1	-176.2	-162.5	73.5	0	0	0	113.6	F285 V289 I310 P311 V313 S314 G318 I319 W455 W457	F285-I316 HydrophobicContact CB-CD1 3.75Å; F285-I316 HydrophobicContact CD1-CD1 3.98Å; F285-I316 HydrophobicContact CG-CD1 4.05Å; V289-I316 HydrophobicContact CG2-CD1 4.39Å; I310-I316 HydrophobicContact CG2-CD1 3.63Å; I310-I316 HydrophobicContact CG2-CG1 3.9Å; P311-I316 WeakPolarHBondContact O-CG2 3.41Å; V313-I316 HydrophobicContact CB-CB 4.18Å; V313-I316 HydrophobicContact CB-CD1 4.27Å; V313-I316 HydrophobicContact CG1-CD1 4.42Å; V313-I316 WeakPolarHBondContact O-CB 3.42Å; V313-I316 VanDerWaalsContact O-CG2 3.22Å; V313-I316 WeakPolarHBondContact O-CG2 3.02Å; V313-I316 PolarHBondContact O-N 2.89Å; V313-I316 VanDerWaalsContact O-N 3.09Å; S314-I316 VanDerWaalsContact C-N 3.34Å; I316-G318 PolarHBondContact O-N 3.05Å; I316-I319 HydrophobicContact CD1-CD1 3.71Å; I316-I319 HydrophobicContact CD1-CG2 4.25Å; I316-I319 HydrophobicContact CG1-CD1 4.07Å; I316-I319 VanDerWaalsContact O-CG1 3.27Å; I316-I319 WeakPolarHBondContact O-CG1 3.17Å; I316-I319 WeakPolarHBondContact O-CG2 3.42Å; I316-I319 PolarHBondContact O-N 3.41Å; I316-I319 VanDerWaalsContact O-N 3.16Å; I316-W455 HydrophobicContact CG1-CZ3 4.13Å; I316-W457 HydrophobicContact CG2-CH2 3.54Å; I316-W457 HydrophobicContact CG2-CZ2 3.74Å
317	Q	90.2	Very high	92.5	Very high	129 Å²	129	31.4 Å²	31.4	60%	0.603	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-55.9	-23.1	177.7	64.6	-179.5	-2.1	0	0	114.1	G315 W457	G315-Q317 VanDerWaalsContact C-N 3.26Å; G315-Q317 PolarHBondContact O-N 2.05Å; Q317-W457 HydrophobicContact CB-CD2 4.17Å; Q317-W457 HydrophobicContact CB-CE3 4.24Å; Q317-W457 HydrophobicContact CB-CZ3 4.49Å
318	G	90.1	Very high	92.4	Very high	28 Å²	28	33.8 Å²	33.8	29%	0.289	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-86.3	-7	-177.3	0	0	0	0	0	115.4	T294 G315 I316 G320	T294-G318 WeakPolarHBondContact CB-O 3.33Å; T294-G318 WeakPolarHBondContact CG2-O 3.3Å; G315-G318 PolarHBondContact O-N 3.3Å; G315-G318 VanDerWaalsContact O-N 3.16Å; I316-G318 PolarHBondContact O-N 3.05Å; G318-G320 VanDerWaalsContact C-N 3.3Å; G318-G320 PolarHBondContact O-N 3.39Å
319	I	93.8	Very high	92.4	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	21%	0.205	C	C	.	.	S	Bend	trans	-74.6	-20	-170.7	70.8	177.8	0	0	0	113.5	F285 V288 V289 G295 K296 W298 I316 V322	F285-I319 HydrophobicContact CD1-CD1 3.75Å; F285-I319 HydrophobicContact CE1-CD1 3.71Å; V288-I319 HydrophobicContact CG1-CB 4.27Å; V288-I319 HydrophobicContact CG1-CG2 3.82Å; V289-I319 HydrophobicContact CG2-CG2 4.01Å; G295-I319 PolarHBondContact N-O 3.28Å; K296-I319 PolarHBondContact N-O 3.01Å; W298-I319 HydrophobicContact CG-CD1 4.3Å; W298-I319 HydrophobicContact CZ2-CB 4.44Å; W298-I319 PolarHBondContact NE1-O 2.85Å; W298-I319 VanDerWaalsContact NE1-O 3.08Å; I316-I319 HydrophobicContact CD1-CD1 3.71Å; I316-I319 HydrophobicContact CD1-CG2 4.25Å; I316-I319 HydrophobicContact CG1-CD1 4.07Å; I316-I319 VanDerWaalsContact O-CG1 3.27Å; I316-I319 WeakPolarHBondContact O-CG1 3.17Å; I316-I319 WeakPolarHBondContact O-CG2 3.42Å; I316-I319 PolarHBondContact O-N 3.41Å; I316-I319 VanDerWaalsContact O-N 3.16Å; I319-V322 HydrophobicContact CD1-CG2 4.36Å
320	G	93.9	Very high	92.7	Very high	7 Å²	7	33.9 Å²	33.9	7%	0.072	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	125.6	-154.7	-178.6	0	0	0	0	0	113.4	K296 G318	K296-G320 CarbonylContact O-C 3.53Å; K296-G320 VanDerWaalsContact O-CA 3.3Å; K296-G320 WeakPolarHBondContact O-CA 3.49Å; G318-G320 VanDerWaalsContact C-N 3.3Å; G318-G320 PolarHBondContact O-N 3.39Å
321	T	95.6	Very high	92.8	Very high	10 Å²	10	41 Å²	41	6%	0.061	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	136.2	-179.3	-60.4	0	0	0	0	110.2	K296 V297 W298 L323 I484 Q485 W486 H487	K296-T321 PolarHBondContact O-N 3.29Å; V297-T321 CarbonylContact C-O 3.44Å; V297-T321 VanDerWaalsContact CA-O 3.29Å; V297-T321 WeakPolarHBondContact CA-O 3.37Å; W298-T321 PolarHBondContact N-O 3.1Å; T321-L323 HydrophobicContact CG2-CD2 4.38Å; T321-L323 HydrophobicContact CG2-CG 4.46Å; T321-I484 HydrophobicContact CG2-CG2 4.28Å; T321-Q485 PolarHBondContact OG1-O 3.27Å; T321-W486 HydrophobicContact CG2-CE3 3.92Å; T321-W486 HydrophobicContact CG2-CZ3 4.1Å; T321-W486 WeakPolarHBondContact OG1-CA 3.18Å; T321-H487 PolarHBondContact OG1-N 3.45Å
322	V	96.8	Very high	93.1	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.8	173.6	-176.2	0	0	0	0	108.8	W298 A300 W304 I319 A454 W455	W298-V322 HydrophobicContact CB-CG1 4.48Å; W298-V322 HydrophobicContact CB-CG2 4.16Å; W298-V322 HydrophobicContact CG-CG2 4.47Å; W298-V322 WeakPolarHBondContact O-CA 3.07Å; A300-V322 HydrophobicContact CB-CG1 4.41Å; W304-V322 HydrophobicContact CH2-CG1 3.89Å; W304-V322 HydrophobicContact CZ3-CG1 3.95Å; I319-V322 HydrophobicContact CD1-CG2 4.36Å; V322-A454 WeakPolarHBondContact O-CA 3.47Å; V322-W455 HydrophobicContact CB-CB 4.02Å; V322-W455 HydrophobicContact CB-CD2 3.64Å; V322-W455 HydrophobicContact CB-CE3 4.01Å; V322-W455 HydrophobicContact CB-CG 3.62Å; V322-W455 HydrophobicContact CG1-CD2 3.86Å; V322-W455 HydrophobicContact CG1-CE3 4.48Å; V322-W455 HydrophobicContact CG1-CG 3.98Å; V322-W455 HydrophobicContact CG1-CZ2 4.49Å; V322-W455 HydrophobicContact CG2-CD2 3.81Å; V322-W455 HydrophobicContact CG2-CE3 3.63Å; V322-W455 HydrophobicContact CG2-CG 4.27Å; V322-W455 HydrophobicContact CG2-CZ3 4.15Å; V322-W455 PolarHBondContact O-N 2.98Å
323	L	97.7	Very high	93.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	151.4	167.6	-58.9	179.5	0	0	0	107.9	L203 F207 W209 W298 I299 A300 T321 I453 A454 I467 I484 W486	L203-L323 HydrophobicContact CD2-CB 4.44Å; F207-L323 HydrophobicContact CE2-CD1 4.19Å; W209-L323 HydrophobicContact CH2-CD1 4.1Å; W298-L323 PolarHBondContact O-N 3.37Å; I299-L323 CarbonylContact C-O 3.59Å; I299-L323 VanDerWaalsContact CA-O 3.28Å; I299-L323 WeakPolarHBondContact CA-O 3.48Å; I299-L323 HydrophobicContact CD1-CB 3.91Å; I299-L323 HydrophobicContact CD1-CD1 4.24Å; I299-L323 HydrophobicContact CD1-CG 4.48Å; A300-L323 PolarHBondContact N-O 3.39Å; T321-L323 HydrophobicContact CG2-CD2 4.38Å; T321-L323 HydrophobicContact CG2-CG 4.46Å; L323-I453 CarbonylContact C-O 3.49Å; L323-I453 VanDerWaalsContact CA-O 3.3Å; L323-I453 WeakPolarHBondContact CA-O 3.14Å; L323-A454 HydrophobicContact CD2-CB 3.6Å; L323-I467 HydrophobicContact CD2-CD1 4.04Å; L323-I484 HydrophobicContact CD1-CD1 4.43Å; L323-I484 HydrophobicContact CD2-CD1 4.27Å; L323-I484 HydrophobicContact CD2-CG1 4.33Å; L323-I484 HydrophobicContact CD2-CG2 3.92Å; L323-W486 HydrophobicContact CD1-CH2 3.89Å; L323-W486 HydrophobicContact CD1-CZ3 4.28Å
324	G	96.5	Very high	93.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	155.6	-177.5	0	0	0	0	0	113.8	A300 I452 I453	A300-G324 WeakPolarHBondContact O-CA 3.29Å; G324-I452 WeakPolarHBondContact O-CA 3.09Å; G324-I453 PolarHBondContact N-O 3.42Å; G324-I453 PolarHBondContact O-N 2.98Å
325	V	97.4	Very high	94	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	132.6	160	-174.4	0	0	0	0	106.7	Q196 V199 I200 A300 E302 A305 Y450 I452	Q196-V325 HydrophobicContact CG-CB 4.4Å; Q196-V325 HydrophobicContact CG-CG1 4.27Å; Q196-V325 HydrophobicContact CG-CG2 4.48Å; V199-V325 HydrophobicContact CB-CG2 4.45Å; V199-V325 HydrophobicContact CG1-CG1 4.43Å; V199-V325 HydrophobicContact CG1-CG2 3.73Å; I200-V325 HydrophobicContact CD1-CG2 4.37Å; I200-V325 HydrophobicContact CG1-CG2 3.7Å; A300-V325 PolarHBondContact O-N 2.91Å; E302-V325 WeakPolarHBondContact CA-O 3.09Å; E302-V325 PolarHBondContact N-O 2.8Å; A305-V325 WeakPolarHBondContact CB-O 3.3Å; V325-Y450 HydrophobicContact CG1-CD1 3.61Å; V325-Y450 HydrophobicContact CG1-CD2 3.79Å; V325-Y450 HydrophobicContact CG1-CE1 4.19Å; V325-Y450 HydrophobicContact CG1-CE2 4.35Å; V325-Y450 HydrophobicContact CG1-CG 3.39Å; V325-I452 HydrophobicContact CG2-CD1 4.41Å
326	A	96.1	Very high	94.1	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.1	179.2	0	0	0	0	0	110.7	A305 I306 Q328 Y450 D451 I453	A305-A326 HydrophobicContact CB-CB 4.44Å; I306-A326 HydrophobicContact CD1-CB 4.31Å; I306-A326 HydrophobicContact CG1-CB 4.34Å; I306-A326 HydrophobicContact CG2-CB 3.77Å; A326-Q328 PolarHBondContact O-N 3.26Å; A326-Y450 WeakPolarHBondContact O-CD1 3.49Å; A326-D451 HydrophobicContact CB-CB 4.5Å; A326-D451 PolarHBondContact N-O 3.48Å; A326-D451 PolarHBondContact O-N 2.88Å; A326-I453 HydrophobicContact CB-CG1 4.21Å; A326-I453 HydrophobicContact CB-CG2 3.96Å
327	I	90.9	Very high	94.1	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.051	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	138.9	169.8	-53	172.3	0	0	0	107.9	I190 E302 Q329	I190-I327 HydrophobicContact CD1-CD1 3.81Å; I190-I327 HydrophobicContact CD1-CG1 4.37Å; I190-I327 HydrophobicContact CG1-CD1 4.42Å; E302-I327 HydrophobicContact CB-CG1 4.33Å; E302-I327 HydrophobicContact CG-CD1 4.38Å; E302-I327 HydrophobicContact CG-CG1 4.03Å; I327-Q329 PolarHBondContact O-N 3.38Å
328	Q	89	Confident	94.3	Very high	54 Å²	54	36.6 Å²	36.6	25%	0.252	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-54.1	127.9	179.6	177.6	172.3	76.7	0	0	110.8	A326 R330 D451	A326-Q328 PolarHBondContact O-N 3.26Å; Q328-R330 HydrophobicContact CG-CG 4.32Å; Q328-R330 PolarHBondContact O-N 2.82Å; Q328-R330 VanDerWaalsContact O-N 3.11Å; Q328-D451 WeakPolarHBondContact CA-OD2 3.5Å
329	Q	89.4	Confident	94.4	Very high	91 Å²	91	35.2 Å²	35.2	43%	0.425	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-64.2	116.8	177.3	-69.5	-168	12.7	0	0	111.2	I327 D451	I327-Q329 PolarHBondContact O-N 3.38Å; Q329-D451 PolarHBondContact N-OD2 3.32Å
330	R	91.3	Very high	94.3	Very high	58 Å²	58	38.1 Å²	38.1	22%	0.219	19%	0.191	C	C	.	.			trans	-138.7	148.6	172.4	-71.3	-163.2	169.2	-111.9	-4.3	110.2	Q328 M384 Y388 H434	Q328-R330 HydrophobicContact CG-CG 4.32Å; Q328-R330 PolarHBondContact O-N 2.82Å; Q328-R330 VanDerWaalsContact O-N 3.11Å; R330-M384 WeakPolarHBondContact O-CG 3.12Å; R330-Y388 HydrophobicContact CB-CD1 3.9Å; R330-Y388 HydrophobicContact CB-CD2 3.7Å; R330-Y388 HydrophobicContact CB-CE1 4.25Å; R330-Y388 HydrophobicContact CB-CE2 4.05Å; R330-Y388 HydrophobicContact CB-CG 3.62Å; R330-Y388 VanDerWaalsContact CD-CE1 3.45Å; R330-Y388 HydrophobicContact CG-CD1 4.46Å; R330-Y388 HydrophobicContact CG-CE1 4.47Å; R330-H434 PolarHBondContact NH1-O 3.27Å
331	Q	94.1	Very high	94.1	Very high	150 Å²	150	40.6 Å²	40.6	70%	0.701	21%	0.208	S	C	*	.			trans	-108.1	143.6	177.8	-63.4	-175.4	-12	0	0	109.7	P333 M384 Y388	Q331-P333 WeakPolarHBondContact O-CD 3.38Å; Q331-M384 HydrophobicContact CB-CG 4.28Å; Q331-M384 HydrophobicContact CB-SD 4.28Å; Q331-M384 HydrophobicContact CG-CG 4.07Å; Q331-Y388 VanDerWaalsContact O-CD2 3.31Å; Q331-Y388 WeakPolarHBondContact O-CD2 3.48Å; Q331-Y388 WeakPolarHBondContact O-CE2 3.5Å
332	V	96.4	Very high	93.6	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	21%	0.21	C	C	.	.			trans	-92.9	104	166	-177.6	0	0	0	0	106.9	F82 G334 L335 M384 A387 Y388 Y391	F82-V332 HydrophobicContact CD1-CG1 3.72Å; F82-V332 HydrophobicContact CE1-CG1 3.5Å; V332-G334 PolarHBondContact O-N 3.01Å; V332-L335 HydrophobicContact CB-CB 3.89Å; V332-L335 HydrophobicContact CB-CD2 4.05Å; V332-L335 HydrophobicContact CG1-CB 3.93Å; V332-L335 HydrophobicContact CG2-CD2 4.38Å; V332-L335 WeakPolarHBondContact O-CB 3.47Å; V332-L335 PolarHBondContact O-N 3.1Å; V332-M384 HydrophobicContact CB-SD 4.3Å; V332-M384 PolarHBondContact N-SD 2.85Å; V332-M384 VanDerWaalsContact N-SD 3.36Å; V332-A387 HydrophobicContact CG2-CB 4.49Å; V332-Y388 HydrophobicContact CG2-CD2 3.8Å; V332-Y388 HydrophobicContact CG2-CG 4.33Å; V332-Y391 HydrophobicContact CG1-CD2 3.6Å; V332-Y391 HydrophobicContact CG1-CE2 3.91Å; V332-Y391 HydrophobicContact CG1-CG 4.09Å; V332-Y391 HydrophobicContact CG2-CD2 4.48Å; V332-Y391 HydrophobicContact CG2-CG 4.18Å
333	P	95.7	Very high	93	Very high	72 Å²	72	41.6 Å²	41.6	47%	0.468	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	133.3	-178.5	-20.6	34	0	0	0	110.5	F82 Q331 L335	F82-P333 WeakPolarHBondContact CZ-O 3.16Å; Q331-P333 WeakPolarHBondContact O-CD 3.38Å; P333-L335 VanDerWaalsContact C-N 3.32Å; P333-L335 PolarHBondContact O-N 3.5Å
334	G	96.1	Very high	92.3	Very high	30 Å²	30	47.5 Å²	47.5	31%	0.309	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-10.9	179.4	0	0	0	0	0	115.3	V332 K336 E337 F338	V332-G334 PolarHBondContact O-N 3.01Å; G334-K336 PolarHBondContact O-N 3.48Å; G334-E337 WeakPolarHBondContact CA-OE2 3.44Å; G334-E337 PolarHBondContact N-OE2 2.67Å; G334-E337 PolarHBondContact O-N 2.93Å; G334-F338 VanDerWaalsContact O-CB 3.28Å; G334-F338 WeakPolarHBondContact O-CB 3.23Å; G334-F338 PolarHBondContact O-N 3.26Å
335	L	96.4	Very high	91.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-42	-176.9	178.1	60	0	0	0	112.4	Q78 A79 F82 V332 P333 F338 E339 L379 M384 A387	Q78-L335 HydrophobicContact CB-CD1 4.47Å; A79-L335 HydrophobicContact CB-CD1 4.34Å; A79-L335 HydrophobicContact CB-CD2 4.21Å; F82-L335 HydrophobicContact CB-CD1 3.94Å; F82-L335 HydrophobicContact CD1-CD1 4.46Å; F82-L335 HydrophobicContact CG-CD1 4.21Å; V332-L335 HydrophobicContact CB-CB 3.89Å; V332-L335 HydrophobicContact CB-CD2 4.05Å; V332-L335 HydrophobicContact CG1-CB 3.93Å; V332-L335 HydrophobicContact CG2-CD2 4.38Å; V332-L335 WeakPolarHBondContact O-CB 3.47Å; V332-L335 PolarHBondContact O-N 3.1Å; P333-L335 VanDerWaalsContact C-N 3.32Å; P333-L335 PolarHBondContact O-N 3.5Å; L335-F338 WeakPolarHBondContact O-CB 3.11Å; L335-F338 PolarHBondContact O-N 2.89Å; L335-E339 HydrophobicContact CD1-CG 4.49Å; L335-E339 WeakPolarHBondContact O-CG 3.07Å; L335-E339 PolarHBondContact O-N 3.45Å; L335-L379 HydrophobicContact CD2-CD2 4.27Å; L335-L379 HydrophobicContact CG-CD2 4.31Å; L335-M384 HydrophobicContact CD2-SD 4.28Å; L335-A387 HydrophobicContact CD2-CB 3.72Å
336	K	94.4	Very high	90.1	Very high	108 Å²	108	53 Å²	53	47%	0.47	28%	0.281	S	S	.	.	H	α-helix	trans	-64.8	-46.3	179.8	-177.6	177.9	174.5	179	0	110.7	G334 F338 E339 E340 L379	G334-K336 PolarHBondContact O-N 3.48Å; K336-F338 VanDerWaalsContact C-N 3.27Å; K336-F338 PolarHBondContact O-N 2.92Å; K336-E339 PolarHBondContact O-N 3.23Å; K336-E340 WeakPolarHBondContact CE-OE1 3.42Å; K336-E340 WeakPolarHBondContact O-CG 3.32Å; K336-E340 PolarHBondContact O-N 2.97Å; K336-L379 HydrophobicContact CB-CD2 4.29Å
337	E	94.7	Very high	88	Confident	115 Å²	115	58.7 Å²	58.7	54%	0.537	31%	0.309	S	S	.	.	H	α-helix	trans	-62.5	-37.8	178	-62.1	76.3	-170.3	0	0	110.9	G334 S341	G334-E337 WeakPolarHBondContact CA-OE2 3.44Å; G334-E337 PolarHBondContact N-OE2 2.67Å; G334-E337 PolarHBondContact O-N 2.93Å; E337-S341 VanDerWaalsContact O-CB 3.27Å; E337-S341 WeakPolarHBondContact O-CB 3.47Å; E337-S341 PolarHBondContact O-N 2.92Å; E337-S341 PolarHBondContact O-OG 3.28Å
338	F	94.2	Very high	86.1	Confident	23 Å²	23	62 Å²	62	10%	0.101	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-49.4	173.2	176.8	-97.8	0	0	0	111.8	R81 F82 E85 G334 L335 K336 E340 S341 Y342	R81-F338 HydrophobicContact CB-CE1 4.07Å; R81-F338 HydrophobicContact CB-CZ 4.03Å; F82-F338 HydrophobicContact CB-CD1 3.74Å; F82-F338 HydrophobicContact CB-CD2 4.41Å; F82-F338 HydrophobicContact CB-CE1 3.94Å; F82-F338 HydrophobicContact CB-CG 3.98Å; F82-F338 HydrophobicContact CB-CZ 4.37Å; F82-F338 HydrophobicContact CD2-CB 3.58Å; F82-F338 HydrophobicContact CD2-CD1 4.27Å; F82-F338 AromaticContact CD2-CD2 3.85Å; F82-F338 HydrophobicContact CD2-CD2 3.85Å; F82-F338 AromaticContact CD2-CG 3.64Å; F82-F338 HydrophobicContact CD2-CG 3.64Å; F82-F338 HydrophobicContact CE2-CB 4.22Å; F82-F338 HydrophobicContact CG-CB 4.38Å; F82-F338 HydrophobicContact CG-CD1 4.44Å; F82-F338 HydrophobicContact CG-CG 4.25Å; E85-F338 WeakPolarHBondContact OE2-CE2 3.31Å; G334-F338 VanDerWaalsContact O-CB 3.28Å; G334-F338 WeakPolarHBondContact O-CB 3.23Å; G334-F338 PolarHBondContact O-N 3.26Å; L335-F338 WeakPolarHBondContact O-CB 3.11Å; L335-F338 PolarHBondContact O-N 2.89Å; K336-F338 VanDerWaalsContact C-N 3.27Å; K336-F338 PolarHBondContact O-N 2.92Å; F338-E340 PolarHBondContact O-N 3.04Å; F338-S341 PolarHBondContact O-N 3.01Å; F338-S341 PolarHBondContact O-OG 3.1Å; F338-Y342 WeakPolarHBondContact O-CB 3Å; F338-Y342 PolarHBondContact O-N 3.16Å
339	E	92.5	Very high	84.2	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-45.3	177.4	-71.2	-173.9	178.7	0	0	112.3	H75 Q78 L335 K336 Y342 V343 M376	H75-E339 IonicContact CE1-OE1 2.52Å; H75-E339 IonicContact CE1-OE2 2.69Å; H75-E339 PolarHBondContact CE1-OE2 3.46Å; H75-E339 IonicContact CG-OE1 2.82Å; H75-E339 VanDerWaalsContact ND1-CD 3.35Å; H75-E339 IonicContact ND1-OE1 2.75Å; H75-E339 PolarHBondContact ND1-OE1 2.82Å; H75-E339 IonicContact ND1-OE2 3.67Å; H75-E339 PolarHBondContact ND1-OE2 2.75Å; Q78-E339 HydrophobicContact CB-CG 3.82Å; Q78-E339 WeakPolarHBondContact CB-OE1 3.26Å; Q78-E339 HydrophobicContact CG-CG 3.93Å; L335-E339 HydrophobicContact CD1-CG 4.49Å; L335-E339 WeakPolarHBondContact O-CG 3.07Å; L335-E339 PolarHBondContact O-N 3.45Å; K336-E339 PolarHBondContact O-N 3.23Å; E339-Y342 PolarHBondContact O-N 3.31Å; E339-V343 WeakPolarHBondContact O-CG2 3.22Å; E339-V343 PolarHBondContact O-N 3.31Å; E339-M376 HydrophobicContact CB-CE 3.97Å; E339-M376 VanDerWaalsContact OE2-CE 3.29Å; E339-M376 WeakPolarHBondContact OE2-CE 3.48Å
340	E	91.1	Very high	82.4	Confident	64 Å²	64	62.5 Å²	62.5	30%	0.299	37%	0.366	S	S	.	.	H	α-helix	trans	-62	-44.3	177.6	-72.4	175.7	179.7	0	0	111.7	K336 F338 Y342 V343 Q344 M376	K336-E340 WeakPolarHBondContact CE-OE1 3.42Å; K336-E340 WeakPolarHBondContact O-CG 3.32Å; K336-E340 PolarHBondContact O-N 2.97Å; F338-E340 PolarHBondContact O-N 3.04Å; E340-Y342 VanDerWaalsContact C-N 3.35Å; E340-Y342 PolarHBondContact O-N 3.13Å; E340-V343 PolarHBondContact O-N 3.04Å; E340-Q344 VanDerWaalsContact O-CG 3.32Å; E340-Q344 WeakPolarHBondContact O-CG 3.41Å; E340-Q344 PolarHBondContact O-N 3.13Å; E340-M376 HydrophobicContact CG-SD 4.14Å
341	S	89.4	Confident	80.4	Confident	59 Å²	59	69.4 Å²	69.4	41%	0.413	39%	0.391	S	S	.	.	H	α-helix	trans	-64.9	-38.2	177.7	75.6	0	0	0	0	112.3	E337 F338 Q344 A345	E337-S341 VanDerWaalsContact O-CB 3.27Å; E337-S341 WeakPolarHBondContact O-CB 3.47Å; E337-S341 PolarHBondContact O-N 2.92Å; E337-S341 PolarHBondContact O-OG 3.28Å; F338-S341 PolarHBondContact O-N 3.01Å; F338-S341 PolarHBondContact O-OG 3.1Å; S341-Q344 PolarHBondContact O-N 3.25Å; S341-A345 WeakPolarHBondContact O-CB 3.4Å; S341-A345 PolarHBondContact O-N 3.39Å
342	Y	85.8	Confident	78.1	Confident	29 Å²	29	67.7 Å²	67.7	11%	0.114	39%	0.392	C	S	.	.	H	α-helix	trans	-64.2	-46	176.6	175.7	-105.5	0	0	0	111	P31 R81 F338 E339 E340 Q344 A345 V346	P31-Y342 PolarHBondContact O-OH 3.12Å; R81-Y342 VanDerWaalsContact NH1-CE2 3.26Å; R81-Y342 VanDerWaalsContact NH2-CD2 3.26Å; F338-Y342 WeakPolarHBondContact O-CB 3Å; F338-Y342 PolarHBondContact O-N 3.16Å; E339-Y342 PolarHBondContact O-N 3.31Å; E340-Y342 VanDerWaalsContact C-N 3.35Å; E340-Y342 PolarHBondContact O-N 3.13Å; Y342-Q344 VanDerWaalsContact C-N 3.33Å; Y342-Q344 PolarHBondContact O-N 2.7Å; Y342-A345 PolarHBondContact O-N 3.47Å; Y342-V346 HydrophobicContact CD2-CG2 4.14Å; Y342-V346 HydrophobicContact CE1-CG2 4.25Å; Y342-V346 HydrophobicContact CE2-CG2 3.72Å; Y342-V346 VanDerWaalsContact O-CG2 3.29Å; Y342-V346 WeakPolarHBondContact O-CG2 3.35Å; Y342-V346 PolarHBondContact O-N 3.17Å; Y342-V346 VanDerWaalsContact O-N 3.09Å
343	V	84.5	Confident	75.9	Confident	6 Å²	6	69.2 Å²	69.2	4%	0.036	40%	0.402	C	S	.	.	H	α-helix	trans	-59.8	-45	175.9	170	0	0	0	0	110.7	E339 E340 A345 V346 M347 F371 T372	E339-V343 WeakPolarHBondContact O-CG2 3.22Å; E339-V343 PolarHBondContact O-N 3.31Å; E340-V343 PolarHBondContact O-N 3.04Å; V343-A345 PolarHBondContact O-N 2.78Å; V343-V346 PolarHBondContact O-N 3.22Å; V343-M347 WeakPolarHBondContact O-CG 3.12Å; V343-M347 PolarHBondContact O-N 3.26Å; V343-F371 HydrophobicContact CG1-CB 4.38Å; V343-F371 WeakPolarHBondContact CG1-O 3.44Å; V343-F371 HydrophobicContact CG2-CB 4.19Å; V343-T372 VanDerWaalsContact CG1-C 3.47Å
344	Q	82.8	Confident	73.6	Confident	123 Å²	123	69 Å²	69	58%	0.575	40%	0.401	S	S	*	.	H	α-helix	trans	-63	-39.7	177.1	-72	174.8	6.7	0	0	113.2	E340 S341 Y342 V346 M347 T373	E340-Q344 VanDerWaalsContact O-CG 3.32Å; E340-Q344 WeakPolarHBondContact O-CG 3.41Å; E340-Q344 PolarHBondContact O-N 3.13Å; S341-Q344 PolarHBondContact O-N 3.25Å; Y342-Q344 VanDerWaalsContact C-N 3.33Å; Y342-Q344 PolarHBondContact O-N 2.7Å; Q344-V346 VanDerWaalsContact C-N 3.35Å; Q344-M347 WeakPolarHBondContact O-CB 3.28Å; Q344-M347 PolarHBondContact O-N 3.26Å; Q344-T373 HydrophobicContact CG-CG2 3.84Å
345	A	78	Confident	71.1	Confident	86 Å²	86	77.5 Å²	77.5	71%	0.711	43%	0.432	S	S	*	.	H	α-helix	trans	-71.1	-28.6	-179.5	0	0	0	0	0	113.3	S341 Y342 V343	S341-A345 WeakPolarHBondContact O-CB 3.4Å; S341-A345 PolarHBondContact O-N 3.39Å; Y342-A345 PolarHBondContact O-N 3.47Å; V343-A345 PolarHBondContact O-N 2.78Å
346	V	69.5	Low	68.6	Low	30 Å²	30	80.1 Å²	80.1	18%	0.182	46%	0.46	C	S	.	.	H	α-helix	trans	-84.6	-17.1	179.8	176.7	0	0	0	0	112.4	Y342 V343 Q344 G348 A349 H369	Y342-V346 HydrophobicContact CD2-CG2 4.14Å; Y342-V346 HydrophobicContact CE1-CG2 4.25Å; Y342-V346 HydrophobicContact CE2-CG2 3.72Å; Y342-V346 VanDerWaalsContact O-CG2 3.29Å; Y342-V346 WeakPolarHBondContact O-CG2 3.35Å; Y342-V346 PolarHBondContact O-N 3.17Å; Y342-V346 VanDerWaalsContact O-N 3.09Å; V343-V346 PolarHBondContact O-N 3.22Å; Q344-V346 VanDerWaalsContact C-N 3.35Å; V346-G348 PolarHBondContact O-N 3.03Å; V346-A349 PolarHBondContact O-N 2.99Å; V346-H369 HydrophobicContact CG1-CB 4.38Å
347	M	51.9	Low	66	Low	122 Å²	122	76.2 Å²	76.2	60%	0.601	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	102.1	176.3	-71.8	-97.3	-92	0	0	111.1	V343 Q344 T372	V343-M347 WeakPolarHBondContact O-CG 3.12Å; V343-M347 PolarHBondContact O-N 3.26Å; Q344-M347 WeakPolarHBondContact O-CB 3.28Å; Q344-M347 PolarHBondContact O-N 3.26Å; M347-T372 HydrophobicContact SD-CG2 4.17Å
348	G	50	Low	63.5	Low	79 Å²	79	79.6 Å²	79.6	81%	0.814	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.3	-5.8	173.8	0	0	0	0	0	116.5	V346	V346-G348 PolarHBondContact O-N 3.03Å
349	A	50.7	Low	61.3	Low	54 Å²	54	79.6 Å²	79.6	45%	0.446	46%	0.456	S	S	.	.			trans	-133.2	83.9	176	0	0	0	0	0	111.6	V346 R351	V346-A349 PolarHBondContact O-N 2.99Å; A349-R351 PolarHBondContact O-N 2.83Å
350	P	50	Low	59.3	Low	102 Å²	102	79.8 Å²	79.8	66%	0.662	46%	0.458	S	S	*	.			trans	-63.3	94.7	152.8	28.7	-27.7	0	0	0	104.9	T352	P350-T352 PolarHBondContact O-N 3.11Å; P350-T352 PolarHBondContact O-OG1 3.36Å
351	R	49.8	Very low	58.2	Low	202 Å²	202	79.4 Å²	79.4	76%	0.762	46%	0.46	S	S	*	.			trans	-68	79.5	158.4	-73.3	-171.4	-178.5	169.7	2.3	105	P31 A349 C353	P31-R351 HydrophobicContact CG-CB 4.42Å; A349-R351 PolarHBondContact O-N 2.83Å; R351-C353 PolarHBondContact O-N 2.99Å
352	T	46.7	Very low	57.8	Low	115 Å²	115	76.7 Å²	76.7	71%	0.706	44%	0.441	S	S	*	.			trans	-52.3	131.3	162.5	4.3	0	0	0	0	105.9	P350 P354	P350-T352 PolarHBondContact O-N 3.11Å; P350-T352 PolarHBondContact O-OG1 3.36Å; T352-P354 VanDerWaalsContact O-N 3.13Å
353	C	50	Low	57.8	Low	34 Å²	34	76.3 Å²	76.3	23%	0.23	44%	0.441	C	S	.	.			trans	-44.2	125.7	165.7	-62.7	0	0	0	0	107.4	R351 E355 C359	R351-C353 PolarHBondContact O-N 2.99Å; C353-E355 PolarHBondContact O-N 3.34Å; C353-C359 HydrophobicContact CB-CB 4.21Å; C353-C359 WeakPolarHBondContact CB-SG 3.07Å; C353-C359 WeakPolarHBondContact SG-CB 3.45Å; C353-C359 CovalentContact SG-SG 2.02Å; C353-C359 PolarHBondContact SG-SG 2.8Å
354	P	47.6	Very low	57.7	Low	69 Å²	69	77.3 Å²	77.3	45%	0.448	45%	0.446	S	S	.	.			trans	-48.5	134	-179.7	-26.1	31.3	0	0	0	109.7	E28 T352 G356 S357	E28-P354 WeakPolarHBondContact OE2-CD 3.3Å; E28-P354 WeakPolarHBondContact OE2-CG 3.36Å; T352-P354 VanDerWaalsContact O-N 3.13Å; P354-G356 PolarHBondContact O-N 2.88Å; P354-S357 VanDerWaalsContact O-CB 3.25Å; P354-S357 WeakPolarHBondContact O-CB 3.2Å; P354-S357 PolarHBondContact O-N 3.44Å
355	E	42.5	Very low	57.9	Low	207 Å²	207	71.5 Å²	71.5	97%	0.967	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	116.7	178.1	-79	-175.5	152.6	0	0	109.7	C353	C353-E355 PolarHBondContact O-N 3.34Å
356	G	43.8	Very low	58	Low	56 Å²	56	75.4 Å²	75.4	58%	0.577	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.7	-13.5	-174.7	0	0	0	0	0	115.7	P354	P354-G356 PolarHBondContact O-N 2.88Å
357	S	41	Very low	58.6	Low	25 Å²	25	77.1 Å²	77.1	18%	0.175	42%	0.421	C	S	.	.			trans	-77.2	122.3	171.1	176.2	0	0	0	0	110.5	P354 C359	P354-S357 VanDerWaalsContact O-CB 3.25Å; P354-S357 WeakPolarHBondContact O-CB 3.2Å; P354-S357 PolarHBondContact O-N 3.44Å; S357-C359 PolarHBondContact O-N 2.86Å
358	W	40.8	Very low	60.1	Low	186 Å²	186	71.8 Å²	71.8	71%	0.705	40%	0.395	S	S	*	.			trans	-78.1	97.2	168.2	-72.3	55.9	0	0	0	107.3	T27	T27-W358 WeakPolarHBondContact CA-O 3.45Å; T27-W358 WeakPolarHBondContact CB-O 3.12Å; T27-W358 HydrophobicContact CG2-CB 4.43Å; T27-W358 WeakPolarHBondContact CG2-O 3.04Å
359	C	48	Very low	61.4	Low	23 Å²	23	70.1 Å²	70.1	16%	0.155	37%	0.366	C	S	.	.			trans	-62.8	148.6	172.9	-86.1	0	0	0	0	110.9	E28 C353 S357 T361	E28-C359 WeakPolarHBondContact O-CA 3.34Å; E28-C359 PolarHBondContact O-SG 2.97Å; C353-C359 HydrophobicContact CB-CB 4.21Å; C353-C359 WeakPolarHBondContact CB-SG 3.07Å; C353-C359 WeakPolarHBondContact SG-CB 3.45Å; C353-C359 CovalentContact SG-SG 2.02Å; C353-C359 PolarHBondContact SG-SG 2.8Å; S357-C359 PolarHBondContact O-N 2.86Å; C359-T361 PolarHBondContact O-N 3.35Å; C359-T361 VanDerWaalsContact O-N 3.12Å
360	G	51.7	Low	62.8	Low	4 Å²	4	70.8 Å²	70.8	4%	0.041	37%	0.371	C	S	.	.			trans	-59.1	120.6	177.8	0	0	0	0	0	108.2	E28 N362 Q363	E28-G360 PolarHBondContact O-N 3.33Å; G360-N362 PolarHBondContact O-N 2.77Å; G360-Q363 PolarHBondContact O-N 2.98Å
361	T	67.7	Low	64.4	Low	57 Å²	57	67 Å²	67	35%	0.35	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-12.8	-166.7	56.8	0	0	0	0	114.2	C63 C359	C63-T361 PolarHBondContact N-O 3.47Å; C359-T361 PolarHBondContact O-N 3.35Å; C359-T361 VanDerWaalsContact O-N 3.12Å
362	N	80.6	Confident	66	Low	1 Å²	1	59.3 Å²	59.3	1%	0.005	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	18.3	-179.2	72.5	-29.8	0	0	0	114.2	Y104 D105 Y114 G360	Y104-N362 WeakPolarHBondContact CD1-ND2 3.03Å; D105-N362 HydrophobicContact CB-CB 4.48Å; D105-N362 WeakPolarHBondContact CB-O 3.37Å; D105-N362 PolarHBondContact N-O 3.03Å; D105-N362 WeakPolarHBondContact O-CB 3.02Å; Y114-N362 WeakPolarHBondContact CD1-ND2 3.28Å; Y114-N362 VanDerWaalsContact CE1-OD1 3.31Å; Y114-N362 WeakPolarHBondContact CE1-OD1 3.33Å; G360-N362 PolarHBondContact O-N 2.77Å
363	Q	86.6	Confident	67.5	Low	22 Å²	22	56.2 Å²	56.2	10%	0.103	30%	0.301	C	S	.	.	S	Bend	trans	-126.5	36.3	173	-63.3	-175.1	-65.5	0	0	111.3	S30 F33 L103 Y104 G360	S30-Q363 PolarHBondContact N-O 3.37Å; S30-Q363 PolarHBondContact OG-O 2.97Å; F33-Q363 HydrophobicContact CB-CB 4.25Å; F33-Q363 HydrophobicContact CD1-CB 3.77Å; F33-Q363 HydrophobicContact CD1-CG 4.03Å; F33-Q363 HydrophobicContact CE1-CB 4.3Å; F33-Q363 HydrophobicContact CG-CB 4.02Å; L103-Q363 WeakPolarHBondContact O-CG 3.49Å; L103-Q363 PolarHBondContact O-NE2 3.06Å; Y104-Q363 HydrophobicContact CD1-CG 3.68Å; Y104-Q363 HydrophobicContact CE1-CG 3.99Å; G360-Q363 PolarHBondContact O-N 2.98Å
364	L	82.7	Confident	68.9	Low	27 Å²	27	66 Å²	66	14%	0.141	33%	0.333	C	S	.	.			trans	-129.3	130.8	-177	-176.9	64.9	0	0	0	108.7	D64 R366	D64-L364 HydrophobicContact CB-CB 4.35Å; D64-L364 HydrophobicContact CB-CD2 4.09Å; D64-L364 HydrophobicContact CB-CG 4.14Å; D64-L364 WeakPolarHBondContact OD2-CD2 3.34Å; L364-R366 HydrophobicContact CD1-CG 4.37Å; L364-R366 HydrophobicContact CG-CG 4.41Å
365	C	85.3	Confident	70.7	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.334	C	S	.	.			trans	-141.2	98.7	168.3	-178.9	0	0	0	0	108.8	F33 L47 C368 H369	F33-C365 HydrophobicContact CE2-CB 4.24Å; F33-C365 HydrophobicContact CZ-CB 4.2Å; L47-C365 HydrophobicContact CD1-CB 4.28Å; C365-C368 HydrophobicContact CB-CB 3.7Å; C365-C368 WeakPolarHBondContact CB-SG 3.3Å; C365-C368 WeakPolarHBondContact SG-CB 3.2Å; C365-C368 PolarHBondContact SG-N 2.8Å; C365-C368 CovalentContact SG-SG 2.03Å; C365-C368 PolarHBondContact SG-SG 3.48Å; C365-H369 PolarHBondContact O-CD2 2.99Å; C365-H369 VanDerWaalsContact O-CD2 3.27Å
366	R	81.3	Confident	72.9	Confident	169 Å²	169	58.3 Å²	58.3	64%	0.638	30%	0.295	S	S	*	.	H	α-helix	trans	-70.6	-40.3	-178.4	-71.6	176	-173.4	-157.2	-3.1	112	D64 L364 C368 H369 A370	D64-R366 PolarHBondContact OD1-N 3.34Å; D64-R366 WeakPolarHBondContact OD2-CD 3.49Å; D64-R366 VanDerWaalsContact OD2-CG 3.28Å; D64-R366 WeakPolarHBondContact OD2-CG 3.47Å; D64-R366 IonicContact OD2-NE 3.33Å; D64-R366 PolarHBondContact OD2-NE 3.24Å; L364-R366 HydrophobicContact CD1-CG 4.37Å; L364-R366 HydrophobicContact CG-CG 4.41Å; R366-C368 VanDerWaalsContact C-N 3.29Å; R366-C368 PolarHBondContact O-N 2.04Å; R366-H369 PolarHBondContact O-N 2.9Å; R366-A370 PolarHBondContact O-N 3.36Å
367	E	81.3	Confident	75	Confident	66 Å²	66	56.8 Å²	56.8	31%	0.308	28%	0.275	S	S	.	.	H	α-helix	trans	-62.9	-36.5	-180	-64.8	-175.4	-145.3	0	0	111.7	F69 H369 A370 F371	F69-E367 WeakPolarHBondContact CB-OE2 3.43Å; F69-E367 HydrophobicContact CD2-CB 4.27Å; F69-E367 HydrophobicContact CG-CB 4.46Å; E367-H369 PolarHBondContact O-N 2.64Å; E367-H369 VanDerWaalsContact O-N 3.1Å; E367-A370 PolarHBondContact O-N 3.49Å; E367-F371 HydrophobicContact CB-CZ 4.32Å; E367-F371 PolarHBondContact O-N 3.39Å
368	C	83.7	Confident	77.3	Confident	9 Å²	9	63.8 Å²	63.8	6%	0.061	31%	0.305	C	S	.	.	H	α-helix	trans	-54.7	-31.2	175.6	-62.8	0	0	0	0	113.6	Y74 C365 R366 F371	Y74-C368 HydrophobicContact CD2-CB 4.43Å; Y74-C368 HydrophobicContact CE2-CB 4.18Å; C365-C368 HydrophobicContact CB-CB 3.7Å; C365-C368 WeakPolarHBondContact CB-SG 3.3Å; C365-C368 WeakPolarHBondContact SG-CB 3.2Å; C365-C368 PolarHBondContact SG-N 2.8Å; C365-C368 CovalentContact SG-SG 2.03Å; C365-C368 PolarHBondContact SG-SG 3.48Å; R366-C368 VanDerWaalsContact C-N 3.29Å; R366-C368 PolarHBondContact O-N 2.04Å; C368-F371 HydrophobicContact CB-CE2 4.48Å
369	H	77.7	Confident	79.7	Confident	45 Å²	45	56.5 Å²	56.5	21%	0.208	28%	0.279	C	S	.	.	H	α-helix	trans	-92.8	-11.9	179.1	-61.3	-52.6	0	0	0	113.5	V346 C365 R366 E367	V346-H369 HydrophobicContact CG1-CB 4.38Å; C365-H369 PolarHBondContact O-CD2 2.99Å; C365-H369 VanDerWaalsContact O-CD2 3.27Å; R366-H369 PolarHBondContact O-N 2.9Å; E367-H369 PolarHBondContact O-N 2.64Å; E367-H369 VanDerWaalsContact O-N 3.1Å
370	A	79.7	Confident	81.8	Confident	67 Å²	67	56.4 Å²	56.4	55%	0.554	28%	0.282	S	S	*	.	H	α-helix	trans	-90.1	-5.4	176.8	0	0	0	0	0	112.6	R366 E367	R366-A370 PolarHBondContact O-N 3.36Å; E367-A370 PolarHBondContact O-N 3.49Å
371	F	83.9	Confident	83.8	Confident	22 Å²	22	58.1 Å²	58.1	10%	0.096	30%	0.296	C	S	.	.			trans	-67	149.7	175.1	-60.4	-36.9	0	0	0	112	F69 Y74 V343 E367 C368 N375 M376 P377	F69-F371 HydrophobicContact CD1-CZ 4.1Å; F69-F371 HydrophobicContact CD2-CZ 4.37Å; F69-F371 HydrophobicContact CE1-CE1 4.43Å; F69-F371 HydrophobicContact CE1-CE2 4.13Å; F69-F371 AromaticContact CE1-CZ 3.49Å; F69-F371 HydrophobicContact CE1-CZ 3.49Å; F69-F371 VanDerWaalsContact CE1-CZ 3.49Å; F69-F371 AromaticContact CE2-CE2 3.99Å; F69-F371 HydrophobicContact CE2-CE2 3.99Å; F69-F371 AromaticContact CE2-CZ 3.81Å; F69-F371 HydrophobicContact CE2-CZ 3.81Å; F69-F371 AromaticContact CZ-CE2 3.54Å; F69-F371 HydrophobicContact CZ-CE2 3.54Å; F69-F371 AromaticContact CZ-CZ 3.33Å; F69-F371 HydrophobicContact CZ-CZ 3.33Å; Y74-F371 HydrophobicContact CD2-CE2 4.37Å; Y74-F371 HydrophobicContact CE2-CD2 4.4Å; Y74-F371 HydrophobicContact CE2-CE2 4.24Å; V343-F371 HydrophobicContact CG1-CB 4.38Å; V343-F371 WeakPolarHBondContact CG1-O 3.44Å; V343-F371 HydrophobicContact CG2-CB 4.19Å; E367-F371 HydrophobicContact CB-CZ 4.32Å; E367-F371 PolarHBondContact O-N 3.39Å; C368-F371 HydrophobicContact CB-CE2 4.48Å; F371-N375 WeakPolarHBondContact CA-OD1 3.32Å; F371-M376 HydrophobicContact CB-CB 4.41Å; F371-P377 HydrophobicContact CE2-CG 4.48Å
372	T	83.1	Confident	85	Confident	42 Å²	42	56 Å²	56	26%	0.258	28%	0.282	S	S	.	.			trans	-125.3	163.9	170.4	68.2	0	0	0	0	105.5	V343 M347 W374 N375 M376	V343-T372 VanDerWaalsContact CG1-C 3.47Å; M347-T372 HydrophobicContact SD-CG2 4.17Å; T372-W374 PolarHBondContact O-N 2.87Å; T372-W374 PolarHBondContact OG1-N 2.7Å; T372-N375 WeakPolarHBondContact CA-OD1 3.12Å; T372-N375 WeakPolarHBondContact CB-OD1 3.48Å; T372-N375 PolarHBondContact N-OD1 2.88Å; T372-N375 PolarHBondContact O-N 2.97Å; T372-N375 PolarHBondContact O-OD1 3.41Å; T372-N375 VanDerWaalsContact OG1-CG 3.28Å; T372-N375 PolarHBondContact OG1-N 2.82Å; T372-N375 PolarHBondContact OG1-OD1 2.79Å; T372-M376 PolarHBondContact O-N 2.94Å
373	T	78.7	Confident	85.7	Confident	50 Å²	50	56.6 Å²	56.6	31%	0.307	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-14.9	176.5	53.4	0	0	0	0	113.6	Q344	Q344-T373 HydrophobicContact CG-CG2 3.84Å
374	W	79.5	Confident	86.2	Confident	239 Å²	239	56.7 Å²	56.7	91%	0.905	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-22.1	-177.1	-59.7	102.4	0	0	0	114.7	T372	T372-W374 PolarHBondContact O-N 2.87Å; T372-W374 PolarHBondContact OG1-N 2.7Å
375	N	86	Confident	86.8	Confident	84 Å²	84	55.6 Å²	55.6	45%	0.449	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	9.2	-175.6	71.4	-15.7	0	0	0	113.1	F371 T372	F371-N375 WeakPolarHBondContact CA-OD1 3.32Å; T372-N375 WeakPolarHBondContact CA-OD1 3.12Å; T372-N375 WeakPolarHBondContact CB-OD1 3.48Å; T372-N375 PolarHBondContact N-OD1 2.88Å; T372-N375 PolarHBondContact O-N 2.97Å; T372-N375 PolarHBondContact O-OD1 3.41Å; T372-N375 VanDerWaalsContact OG1-CG 3.28Å; T372-N375 PolarHBondContact OG1-N 2.82Å; T372-N375 PolarHBondContact OG1-OD1 2.79Å
376	M	87	Confident	87.3	Confident	31 Å²	31	55.6 Å²	55.6	15%	0.153	28%	0.282	C	S	.	.	S	Bend	trans	-63.7	149.1	170.7	64.1	179.2	-76	0	0	110.6	E339 E340 F371 T372	E339-M376 HydrophobicContact CB-CE 3.97Å; E339-M376 VanDerWaalsContact OE2-CE 3.29Å; E339-M376 WeakPolarHBondContact OE2-CE 3.48Å; E340-M376 HydrophobicContact CG-SD 4.14Å; F371-M376 HydrophobicContact CB-CB 4.41Å; T372-M376 PolarHBondContact O-N 2.94Å
377	P	88.8	Confident	88.1	Confident	24 Å²	24	47.6 Å²	47.6	16%	0.156	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-58	142.9	174.1	26	-35.5	0	0	0	110.8	F69 Y74 H75 F371 L379	F69-P377 HydrophobicContact CE1-CB 4.22Å; F69-P377 HydrophobicContact CE1-CG 3.92Å; F69-P377 HydrophobicContact CZ-CG 4.06Å; Y74-P377 HydrophobicContact CD1-CG 3.78Å; Y74-P377 HydrophobicContact CE1-CG 4.28Å; Y74-P377 HydrophobicContact CG-CG 4.47Å; H75-P377 PolarHBondContact CE1-O 3.28Å; H75-P377 VanDerWaalsContact CE1-O 3.29Å; H75-P377 PolarHBondContact NE2-O 3.23Å; F371-P377 HydrophobicContact CE2-CG 4.48Å; P377-L379 PolarHBondContact O-N 3.33Å
378	E	88.9	Confident	88.8	Confident	172 Å²	172	44.5 Å²	44.5	80%	0.804	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-72.5	124.7	-179.4	-172.3	-178.3	177.3	0	0	111.3	H75 G380	H75-E378 PolarHBondContact NE2-O 3.09Å; E378-G380 PolarHBondContact O-N 2.94Å
379	L	91.9	Very high	89.5	Confident	33 Å²	33	44.3 Å²	44.3	17%	0.173	24%	0.235	C	C	.	.			trans	-76.8	75.6	173.9	-176.7	54.7	0	0	0	110.7	H75 L335 K336 P377 M384	H75-L379 HydrophobicContact CB-CD1 3.85Å; L335-L379 HydrophobicContact CD2-CD2 4.27Å; L335-L379 HydrophobicContact CG-CD2 4.31Å; K336-L379 HydrophobicContact CB-CD2 4.29Å; P377-L379 PolarHBondContact O-N 3.33Å; L379-M384 HydrophobicContact CD1-CB 4.18Å; L379-M384 HydrophobicContact CD2-CE 3.4Å; L379-M384 VanDerWaalsContact CD2-CE 3.4Å; L379-M384 HydrophobicContact CD2-SD 4.38Å; L379-M384 HydrophobicContact CG-CB 4.4Å; L379-M384 HydrophobicContact CG-CE 3.86Å
380	G	92	Very high	90.4	Very high	21 Å²	21	42.2 Å²	42.2	22%	0.216	23%	0.225	C	C	.	.			trans	-72.3	171	178.2	0	0	0	0	0	114	E378 F382 S383 M384	E378-G380 PolarHBondContact O-N 2.94Å; G380-F382 VanDerWaalsContact C-N 3.31Å; G380-F382 PolarHBondContact O-N 3.26Å; G380-S383 PolarHBondContact O-N 2.04Å; G380-M384 WeakPolarHBondContact O-CB 3.34Å; G380-M384 PolarHBondContact O-N 3.02Å
381	A	92.9	Very high	91.3	Very high	40 Å²	40	39.1 Å²	39.1	33%	0.331	20%	0.2	S	C	.	.	H	α-helix	trans	-56.4	-39.6	-175.5	0	0	0	0	0	114	S385 F464	A381-S385 WeakPolarHBondContact O-CB 3.28Å; A381-S385 PolarHBondContact O-N 3.29Å; A381-S385 PolarHBondContact O-OG 3.23Å; A381-F464 HydrophobicContact CB-CE1 4.25Å; A381-F464 HydrophobicContact CB-CZ 3.99Å
382	F	93.7	Very high	92	Very high	11 Å²	11	38.2 Å²	38.2	5%	0.048	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-56.8	176.5	179.4	-105.3	0	0	0	111.6	H72 I306 G380 M384 S385 A386	H72-F382 AromaticContact CE1-CD1 3.75Å; H72-F382 AromaticContact CE1-CE1 3.23Å; H72-F382 WeakPolarHBondContact CE1-CE1 3.47Å; H72-F382 AromaticContact ND1-CD1 3.53Å; H72-F382 AromaticContact ND1-CE1 3.4Å; H72-F382 WeakPolarHBondContact ND1-CE1 3.3Å; H72-F382 AromaticContact NE2-CE1 3.97Å; I306-F382 HydrophobicContact CD1-CB 4.2Å; I306-F382 HydrophobicContact CD1-CD2 4.22Å; I306-F382 HydrophobicContact CG1-CB 4.01Å; I306-F382 HydrophobicContact CG1-CD2 3.78Å; I306-F382 HydrophobicContact CG1-CG 4.37Å; G380-F382 VanDerWaalsContact C-N 3.31Å; G380-F382 PolarHBondContact O-N 3.26Å; F382-M384 VanDerWaalsContact C-N 3.29Å; F382-M384 PolarHBondContact O-N 2.66Å; F382-S385 PolarHBondContact O-N 2.04Å; F382-S385 VanDerWaalsContact O-N 3.13Å; F382-A386 WeakPolarHBondContact O-CB 2.96Å; F382-A386 PolarHBondContact O-N 2.86Å
383	S	95.6	Very high	92.7	Very high	14 Å²	14	36.2 Å²	36.2	10%	0.098	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-37.4	-179.7	-60	0	0	0	0	112.4	H72 G380 A387	H72-S383 PolarHBondContact ND1-OG 2.91Å; G380-S383 PolarHBondContact O-N 2.04Å; S383-A387 WeakPolarHBondContact O-CB 3.02Å; S383-A387 PolarHBondContact O-N 3.07Å
384	M	96.5	Very high	93.7	Very high	25 Å²	25	33.9 Å²	33.9	12%	0.123	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-42.7	175.1	179.8	62	85	0	0	112.4	R330 Q331 V332 L335 L379 G380 F382 A387 Y388	R330-M384 WeakPolarHBondContact O-CG 3.12Å; Q331-M384 HydrophobicContact CB-CG 4.28Å; Q331-M384 HydrophobicContact CB-SD 4.28Å; Q331-M384 HydrophobicContact CG-CG 4.07Å; V332-M384 HydrophobicContact CB-SD 4.3Å; V332-M384 PolarHBondContact N-SD 2.85Å; V332-M384 VanDerWaalsContact N-SD 3.36Å; L335-M384 HydrophobicContact CD2-SD 4.28Å; L379-M384 HydrophobicContact CD1-CB 4.18Å; L379-M384 HydrophobicContact CD2-CE 3.4Å; L379-M384 VanDerWaalsContact CD2-CE 3.4Å; L379-M384 HydrophobicContact CD2-SD 4.38Å; L379-M384 HydrophobicContact CG-CB 4.4Å; L379-M384 HydrophobicContact CG-CE 3.86Å; G380-M384 WeakPolarHBondContact O-CB 3.34Å; G380-M384 PolarHBondContact O-N 3.02Å; F382-M384 VanDerWaalsContact C-N 3.29Å; F382-M384 PolarHBondContact O-N 2.66Å; M384-A387 WeakPolarHBondContact O-CB 2.89Å; M384-A387 PolarHBondContact O-N 3.14Å; M384-Y388 PolarHBondContact O-N 2.82Å
385	S	94.9	Very high	94.6	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.028	13%	0.131	C	C	.	.	H	α-helix	trans	-69.3	-39	179.2	-54	0	0	0	0	111.6	A381 F382 Y388 N389	A381-S385 WeakPolarHBondContact O-CB 3.28Å; A381-S385 PolarHBondContact O-N 3.29Å; A381-S385 PolarHBondContact O-OG 3.23Å; F382-S385 PolarHBondContact O-N 2.04Å; F382-S385 VanDerWaalsContact O-N 3.13Å; S385-Y388 VanDerWaalsContact O-CB 3.3Å; S385-Y388 WeakPolarHBondContact O-CB 3.49Å; S385-Y388 PolarHBondContact O-N 3.24Å; S385-N389 PolarHBondContact O-N 2.87Å
386	A	95.7	Very high	95.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-68	-38.3	173	0	0	0	0	0	112.4	L76 E171 F382 Y388 N389 V390	L76-A386 HydrophobicContact CD2-CB 3.7Å; E171-A386 HydrophobicContact CG-CB 4.44Å; E171-A386 WeakPolarHBondContact OE1-CB 3.49Å; F382-A386 WeakPolarHBondContact O-CB 2.96Å; F382-A386 PolarHBondContact O-N 2.86Å; A386-Y388 PolarHBondContact O-N 2.73Å; A386-N389 WeakPolarHBondContact O-CA 3.37Å; A386-N389 VanDerWaalsContact O-CB 3.32Å; A386-N389 WeakPolarHBondContact O-CB 3.35Å; A386-N389 PolarHBondContact O-N 3.12Å; A386-V390 PolarHBondContact O-N 2.61Å
387	A	97.8	Very high	95.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60	-34.5	172.5	0	0	0	0	0	111.4	L76 A79 V332 L335 S383 M384 N389 V390 Y391	L76-A387 VanDerWaalsContact CD2-CA 3.49Å; L76-A387 HydrophobicContact CD2-CB 4.03Å; A79-A387 HydrophobicContact CB-CB 3.69Å; V332-A387 HydrophobicContact CG2-CB 4.49Å; L335-A387 HydrophobicContact CD2-CB 3.72Å; S383-A387 WeakPolarHBondContact O-CB 3.02Å; S383-A387 PolarHBondContact O-N 3.07Å; M384-A387 WeakPolarHBondContact O-CB 2.89Å; M384-A387 PolarHBondContact O-N 3.14Å; A387-N389 VanDerWaalsContact C-N 3.3Å; A387-N389 PolarHBondContact O-N 3.48Å; A387-V390 WeakPolarHBondContact O-CB 3.39Å; A387-V390 PolarHBondContact O-N 2.86Å; A387-Y391 WeakPolarHBondContact O-CB 3.22Å; A387-Y391 PolarHBondContact O-N 2.81Å
388	Y	97.3	Very high	96.2	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-63.5	-34.3	172.8	-162.3	-87.2	0	0	0	112.7	R330 Q331 V332 M384 S385 A386 Y391 E392 L433 H434 K436	R330-Y388 HydrophobicContact CB-CD1 3.9Å; R330-Y388 HydrophobicContact CB-CD2 3.7Å; R330-Y388 HydrophobicContact CB-CE1 4.25Å; R330-Y388 HydrophobicContact CB-CE2 4.05Å; R330-Y388 HydrophobicContact CB-CG 3.62Å; R330-Y388 VanDerWaalsContact CD-CE1 3.45Å; R330-Y388 HydrophobicContact CG-CD1 4.46Å; R330-Y388 HydrophobicContact CG-CE1 4.47Å; Q331-Y388 VanDerWaalsContact O-CD2 3.31Å; Q331-Y388 WeakPolarHBondContact O-CD2 3.48Å; Q331-Y388 WeakPolarHBondContact O-CE2 3.5Å; V332-Y388 HydrophobicContact CG2-CD2 3.8Å; V332-Y388 HydrophobicContact CG2-CG 4.33Å; M384-Y388 PolarHBondContact O-N 2.82Å; S385-Y388 VanDerWaalsContact O-CB 3.3Å; S385-Y388 WeakPolarHBondContact O-CB 3.49Å; S385-Y388 PolarHBondContact O-N 3.24Å; A386-Y388 PolarHBondContact O-N 2.73Å; Y388-Y391 HydrophobicContact CE2-CD1 4.44Å; Y388-Y391 WeakPolarHBondContact O-CB 3.41Å; Y388-Y391 PolarHBondContact O-N 3.38Å; Y388-E392 HydrophobicContact CD1-CG 3.98Å; Y388-E392 HydrophobicContact CE1-CG 3.73Å; Y388-E392 VanDerWaalsContact CE1-OE1 3.27Å; Y388-E392 WeakPolarHBondContact CE1-OE1 3.21Å; Y388-E392 WeakPolarHBondContact O-CG 3.04Å; Y388-E392 PolarHBondContact O-N 3.14Å; Y388-L433 PolarHBondContact OH-O 2.95Å; Y388-L433 VanDerWaalsContact OH-O 3.11Å; Y388-H434 AromaticContact CE2-ND1 3.54Å; Y388-H434 AromaticContact CZ-ND1 3.89Å; Y388-H434 WeakPolarHBondContact OH-CB 3.27Å; Y388-H434 PolarHBondContact OH-ND1 2.85Å; Y388-K436 HydrophobicContact CE1-CD 4.39Å
389	N	97.2	Very high	96.6	Very high	5 Å²	5	11.1 Å²	11.1	3%	0.027	7%	0.066	C	C	.	.	H	α-helix	trans	-67.2	-36.2	173.8	-67.3	-10.4	0	0	0	111.9	Y170 T189 S385 A386 A387 A393	Y170-N389 WeakPolarHBondContact O-CB 3.34Å; Y170-N389 PolarHBondContact O-ND2 2.96Å; T189-N389 WeakPolarHBondContact CB-O 3.42Å; T189-N389 WeakPolarHBondContact OG1-CB 3.48Å; T189-N389 PolarHBondContact OG1-O 2.74Å; S385-N389 PolarHBondContact O-N 2.87Å; A386-N389 WeakPolarHBondContact O-CA 3.37Å; A386-N389 VanDerWaalsContact O-CB 3.32Å; A386-N389 WeakPolarHBondContact O-CB 3.35Å; A386-N389 PolarHBondContact O-N 3.12Å; A387-N389 VanDerWaalsContact C-N 3.3Å; A387-N389 PolarHBondContact O-N 3.48Å; N389-A393 WeakPolarHBondContact O-CB 3.46Å; N389-A393 PolarHBondContact O-N 3.09Å
390	V	98.5	Very high	96.9	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.3	-47.3	172.3	179.4	0	0	0	0	110.2	F45 L76 A79 M80 I145 Y170 A386 A387 E392 A393 V394	F45-V390 HydrophobicContact CE1-CG1 4.22Å; F45-V390 HydrophobicContact CE1-CG2 4.18Å; F45-V390 HydrophobicContact CZ-CG1 4.24Å; L76-V390 HydrophobicContact CB-CG2 4.03Å; L76-V390 HydrophobicContact CD1-CG2 4.47Å; L76-V390 HydrophobicContact CD2-CG2 4.04Å; L76-V390 HydrophobicContact CG-CG2 4.42Å; A79-V390 HydrophobicContact CB-CB 4.17Å; A79-V390 HydrophobicContact CB-CG1 4.23Å; M80-V390 HydrophobicContact CB-CG1 3.79Å; I145-V390 HydrophobicContact CG2-CG1 4.29Å; Y170-V390 HydrophobicContact CD1-CG2 3.66Å; Y170-V390 HydrophobicContact CD2-CG2 4Å; Y170-V390 HydrophobicContact CE1-CG2 4.17Å; Y170-V390 HydrophobicContact CE2-CG2 4.49Å; Y170-V390 HydrophobicContact CG-CG2 3.56Å; A386-V390 PolarHBondContact O-N 2.61Å; A387-V390 WeakPolarHBondContact O-CB 3.39Å; A387-V390 PolarHBondContact O-N 2.86Å; V390-E392 VanDerWaalsContact C-N 3.33Å; V390-E392 PolarHBondContact O-N 3.34Å; V390-A393 WeakPolarHBondContact O-CB 3.36Å; V390-A393 PolarHBondContact O-N 2.97Å; V390-A393 VanDerWaalsContact O-N 3.07Å; V390-V394 WeakPolarHBondContact O-CG2 3.23Å; V390-V394 PolarHBondContact O-N 3.23Å
391	Y	98.3	Very high	97.1	Very high	3 Å²	3	8.6 Å²	8.6	1%	0.012	5%	0.048	C	C	.	.	H	α-helix	trans	-55.5	-47.6	177	-175.7	-98.7	0	0	0	111	F82 T83 E86 V332 A387 Y388 A393 V394 Y395 L433 H434	F82-Y391 HydrophobicContact CD1-CD2 4.34Å; F82-Y391 HydrophobicContact CD1-CE2 4.26Å; F82-Y391 HydrophobicContact CE1-CD2 4.39Å; F82-Y391 AromaticContact CE1-CE2 3.93Å; F82-Y391 HydrophobicContact CE1-CE2 3.93Å; T83-Y391 HydrophobicContact CG2-CD2 3.7Å; T83-Y391 HydrophobicContact CG2-CE2 3.94Å; T83-Y391 HydrophobicContact CG2-CG 4.36Å; T83-Y391 WeakPolarHBondContact OG1-CD2 3.25Å; E86-Y391 VanDerWaalsContact OE1-CE2 3.23Å; E86-Y391 WeakPolarHBondContact OE1-CE2 3.22Å; E86-Y391 VanDerWaalsContact OE1-CZ 3.26Å; E86-Y391 PolarHBondContact OE1-OH 3.33Å; V332-Y391 HydrophobicContact CG1-CD2 3.6Å; V332-Y391 HydrophobicContact CG1-CE2 3.91Å; V332-Y391 HydrophobicContact CG1-CG 4.09Å; V332-Y391 HydrophobicContact CG2-CD2 4.48Å; V332-Y391 HydrophobicContact CG2-CG 4.18Å; A387-Y391 WeakPolarHBondContact O-CB 3.22Å; A387-Y391 PolarHBondContact O-N 2.81Å; Y388-Y391 HydrophobicContact CE2-CD1 4.44Å; Y388-Y391 WeakPolarHBondContact O-CB 3.41Å; Y388-Y391 PolarHBondContact O-N 3.38Å; Y391-A393 PolarHBondContact O-N 2.82Å; Y391-V394 PolarHBondContact O-N 3.17Å; Y391-Y395 HydrophobicContact CD1-CD2 4.1Å; Y391-Y395 HydrophobicContact CD1-CE2 4.33Å; Y391-Y395 HydrophobicContact CD2-CD2 4.36Å; Y391-Y395 HydrophobicContact CD2-CE2 4.19Å; Y391-Y395 AromaticContact CE1-CD2 3.83Å; Y391-Y395 HydrophobicContact CE1-CD2 3.83Å; Y391-Y395 AromaticContact CE1-CE2 3.68Å; Y391-Y395 HydrophobicContact CE1-CE2 3.68Å; Y391-Y395 HydrophobicContact CE2-CD2 4.09Å; Y391-Y395 AromaticContact CE2-CE2 3.49Å; Y391-Y395 HydrophobicContact CE2-CE2 3.49Å; Y391-Y395 VanDerWaalsContact CE2-CE2 3.49Å; Y391-Y395 HydrophobicContact CG-CD2 4.34Å; Y391-Y395 AromaticContact CZ-CD2 3.8Å; Y391-Y395 AromaticContact CZ-CE2 3.18Å; Y391-Y395 AromaticContact CZ-CZ 3.99Å; Y391-Y395 WeakPolarHBondContact O-CD2 3.45Å; Y391-Y395 PolarHBondContact O-N 3.4Å; Y391-Y395 VanDerWaalsContact OH-CE2 3.25Å; Y391-Y395 WeakPolarHBondContact OH-CE2 3.44Å; Y391-Y395 PolarHBondContact OH-OH 3.15Å; Y391-L433 HydrophobicContact CD1-CD2 3.56Å; Y391-L433 HydrophobicContact CD1-CG 4.23Å; Y391-L433 HydrophobicContact CE1-CD1 3.71Å; Y391-L433 HydrophobicContact CE1-CD2 3.54Å; Y391-L433 HydrophobicContact CE1-CG 3.74Å; Y391-H434 AromaticContact CE1-CE1 3.4Å; Y391-H434 VanDerWaalsContact CE1-CE1 3.4Å; Y391-H434 WeakPolarHBondContact CE1-CE1 3.42Å; Y391-H434 AromaticContact CE1-ND1 3.75Å; Y391-H434 AromaticContact CZ-CE1 3.67Å; Y391-H434 PolarHBondContact OH-CE1 2.92Å
392	E	97.6	Very high	97.3	Very high	3 Å²	3	7.9 Å²	7.9	1%	0.014	4%	0.038	C	C	.	.	H	α-helix	trans	-60.1	-41.3	173.5	-77.5	-172.8	155.9	0	0	113.4	T189 Y388 V390 Y395 A396 L433 K436 V438	T189-E392 HydrophobicContact CG2-CB 3.73Å; Y388-E392 HydrophobicContact CD1-CG 3.98Å; Y388-E392 HydrophobicContact CE1-CG 3.73Å; Y388-E392 VanDerWaalsContact CE1-OE1 3.27Å; Y388-E392 WeakPolarHBondContact CE1-OE1 3.21Å; Y388-E392 WeakPolarHBondContact O-CG 3.04Å; Y388-E392 PolarHBondContact O-N 3.14Å; V390-E392 VanDerWaalsContact C-N 3.33Å; V390-E392 PolarHBondContact O-N 3.34Å; E392-Y395 PolarHBondContact O-N 2.76Å; E392-A396 VanDerWaalsContact O-CB 3.31Å; E392-A396 WeakPolarHBondContact O-CB 3.46Å; E392-A396 PolarHBondContact O-N 3.16Å; E392-L433 HydrophobicContact CG-CD2 3.87Å; E392-K436 WeakPolarHBondContact OE1-CD 3.38Å; E392-K436 WeakPolarHBondContact OE1-CE 3.37Å; E392-K436 IonicContact OE1-NZ 2.78Å; E392-K436 PolarHBondContact OE1-NZ 3.23Å; E392-K436 IonicContact OE2-NZ 3.38Å; E392-K436 PolarHBondContact OE2-NZ 2.88Å; E392-V438 HydrophobicContact CG-CG2 4.09Å
393	A	98.5	Very high	97.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65	-43.1	-177.7	0	0	0	0	0	111.2	I145 V168 T189 N389 V390 Y391 A396 V397	I145-A393 HydrophobicContact CD1-CB 3.98Å; I145-A393 HydrophobicContact CG2-CB 3.99Å; V168-A393 HydrophobicContact CB-CB 4.05Å; V168-A393 HydrophobicContact CG1-CB 3.56Å; T189-A393 HydrophobicContact CG2-CB 4.01Å; N389-A393 WeakPolarHBondContact O-CB 3.46Å; N389-A393 PolarHBondContact O-N 3.09Å; V390-A393 WeakPolarHBondContact O-CB 3.36Å; V390-A393 PolarHBondContact O-N 2.97Å; V390-A393 VanDerWaalsContact O-N 3.07Å; Y391-A393 PolarHBondContact O-N 2.82Å; A393-A396 PolarHBondContact O-N 3.43Å; A393-V397 WeakPolarHBondContact O-CG2 3.36Å; A393-V397 PolarHBondContact O-N 2.77Å; A393-V397 VanDerWaalsContact O-N 3.16Å
394	V	98.7	Very high	97.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-66.5	-44.7	176.4	178.6	0	0	0	0	110.8	L41 M80 T83 V84 I87 I145 V390 Y391 A396 V397 A398	L41-V394 HydrophobicContact CD1-CG1 4.15Å; M80-V394 HydrophobicContact CB-CG2 4.5Å; M80-V394 HydrophobicContact CG-CG2 3.96Å; T83-V394 HydrophobicContact CG2-CB 3.68Å; T83-V394 HydrophobicContact CG2-CG1 3.59Å; T83-V394 HydrophobicContact CG2-CG2 4.5Å; V84-V394 HydrophobicContact CG2-CG1 4.08Å; I87-V394 HydrophobicContact CD1-CG1 3.88Å; I145-V394 HydrophobicContact CG1-CG2 4.16Å; V390-V394 WeakPolarHBondContact O-CG2 3.23Å; V390-V394 PolarHBondContact O-N 3.23Å; Y391-V394 PolarHBondContact O-N 3.17Å; V394-A396 VanDerWaalsContact C-N 3.33Å; V394-A396 PolarHBondContact O-N 3.06Å; V394-V397 PolarHBondContact O-N 2.03Å; V394-A398 WeakPolarHBondContact O-CB 3.41Å; V394-A398 PolarHBondContact O-N 2.9Å
395	Y	98.5	Very high	97.4	Very high	28 Å²	28	11.7 Å²	11.7	11%	0.11	6%	0.056	C	C	.	.	H	α-helix	trans	-60.9	-40.4	175.4	-97.1	-86.4	0	0	0	112.4	T83 E86 I87 L93 Y391 E392 V397 A398 H399 F431 L433	T83-Y395 HydrophobicContact CG2-CD2 3.51Å; T83-Y395 HydrophobicContact CG2-CE2 3.57Å; E86-Y395 WeakPolarHBondContact OE1-CE2 3.45Å; E86-Y395 PolarHBondContact OE1-OH 3.48Å; I87-Y395 HydrophobicContact CD1-CD2 4.28Å; I87-Y395 HydrophobicContact CD1-CE2 4.25Å; I87-Y395 HydrophobicContact CD1-CG 4.41Å; I87-Y395 HydrophobicContact CG1-CE1 4.24Å; I87-Y395 HydrophobicContact CG1-CE2 4.21Å; L93-Y395 HydrophobicContact CD2-CD1 3.83Å; L93-Y395 HydrophobicContact CD2-CE1 3.7Å; Y391-Y395 HydrophobicContact CD1-CD2 4.1Å; Y391-Y395 HydrophobicContact CD1-CE2 4.33Å; Y391-Y395 HydrophobicContact CD2-CD2 4.36Å; Y391-Y395 HydrophobicContact CD2-CE2 4.19Å; Y391-Y395 AromaticContact CE1-CD2 3.83Å; Y391-Y395 HydrophobicContact CE1-CD2 3.83Å; Y391-Y395 AromaticContact CE1-CE2 3.68Å; Y391-Y395 HydrophobicContact CE1-CE2 3.68Å; Y391-Y395 HydrophobicContact CE2-CD2 4.09Å; Y391-Y395 AromaticContact CE2-CE2 3.49Å; Y391-Y395 HydrophobicContact CE2-CE2 3.49Å; Y391-Y395 VanDerWaalsContact CE2-CE2 3.49Å; Y391-Y395 HydrophobicContact CG-CD2 4.34Å; Y391-Y395 AromaticContact CZ-CD2 3.8Å; Y391-Y395 AromaticContact CZ-CE2 3.18Å; Y391-Y395 AromaticContact CZ-CZ 3.99Å; Y391-Y395 WeakPolarHBondContact O-CD2 3.45Å; Y391-Y395 PolarHBondContact O-N 3.4Å; Y391-Y395 VanDerWaalsContact OH-CE2 3.25Å; Y391-Y395 WeakPolarHBondContact OH-CE2 3.44Å; Y391-Y395 PolarHBondContact OH-OH 3.15Å; E392-Y395 PolarHBondContact O-N 2.76Å; Y395-V397 VanDerWaalsContact C-N 3.33Å; Y395-V397 PolarHBondContact O-N 3.04Å; Y395-A398 PolarHBondContact O-N 3.4Å; Y395-H399 WeakPolarHBondContact O-CB 3.22Å; Y395-H399 PolarHBondContact O-CD2 2.68Å; Y395-H399 VanDerWaalsContact O-CD2 3.26Å; Y395-H399 PolarHBondContact O-N 3.31Å; Y395-F431 HydrophobicContact CD1-CE2 4.34Å; Y395-L433 HydrophobicContact CD1-CD1 3.89Å; Y395-L433 HydrophobicContact CD2-CD1 4.07Å; Y395-L433 HydrophobicContact CD2-CD2 4.09Å; Y395-L433 HydrophobicContact CE1-CD1 3.95Å; Y395-L433 HydrophobicContact CE2-CD1 4.16Å; Y395-L433 HydrophobicContact CG-CD1 3.94Å; Y395-L433 HydrophobicContact CG-CD2 4.03Å
396	A	98.5	Very high	97.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.1	-43.2	176.2	0	0	0	0	0	111.9	E392 A393 V394 G400 V429 V438 F440	E392-A396 VanDerWaalsContact O-CB 3.31Å; E392-A396 WeakPolarHBondContact O-CB 3.46Å; E392-A396 PolarHBondContact O-N 3.16Å; A393-A396 PolarHBondContact O-N 3.43Å; V394-A396 VanDerWaalsContact C-N 3.33Å; V394-A396 PolarHBondContact O-N 3.06Å; A396-G400 PolarHBondContact O-N 3.3Å; A396-V429 HydrophobicContact CB-CG2 4.43Å; A396-V438 HydrophobicContact CB-CG1 4.41Å; A396-F440 HydrophobicContact CB-CE2 3.81Å; A396-F440 HydrophobicContact CB-CZ 3.83Å
397	V	98.4	Very high	97.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65.3	-44.4	175	175.6	0	0	0	0	111.3	L41 A143 I145 V168 A393 V394 Y395 H399 G400 L401 L422 I426	L41-V397 HydrophobicContact CD1-CG1 4.37Å; L41-V397 HydrophobicContact CD2-CG1 3.61Å; A143-V397 HydrophobicContact CB-CG1 3.84Å; A143-V397 HydrophobicContact CB-CG2 3.95Å; I145-V397 HydrophobicContact CD1-CG2 3.87Å; V168-V397 HydrophobicContact CG2-CG2 4.21Å; A393-V397 WeakPolarHBondContact O-CG2 3.36Å; A393-V397 PolarHBondContact O-N 2.77Å; A393-V397 VanDerWaalsContact O-N 3.16Å; V394-V397 PolarHBondContact O-N 2.03Å; Y395-V397 VanDerWaalsContact C-N 3.33Å; Y395-V397 PolarHBondContact O-N 3.04Å; V397-H399 PolarHBondContact O-N 3.15Å; V397-G400 PolarHBondContact O-N 3.21Å; V397-L401 HydrophobicContact CG1-CD1 4.35Å; V397-L401 PolarHBondContact O-N 2.86Å; V397-L422 HydrophobicContact CG1-CD2 4.14Å; V397-I426 HydrophobicContact CG2-CD1 3.94Å
398	A	98.3	Very high	97	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.3	-40.9	179.4	0	0	0	0	0	112.5	I87 L93 L94 L99 V394 Y395 L401 H402	I87-A398 HydrophobicContact CD1-CB 3.73Å; I87-A398 HydrophobicContact CG2-CB 4.32Å; L93-A398 HydrophobicContact CD2-CB 3.99Å; L93-A398 HydrophobicContact CG-CB 4.41Å; L94-A398 HydrophobicContact CD1-CB 4.04Å; L99-A398 HydrophobicContact CD1-CB 4Å; V394-A398 WeakPolarHBondContact O-CB 3.41Å; V394-A398 PolarHBondContact O-N 2.9Å; Y395-A398 PolarHBondContact O-N 3.4Å; A398-L401 PolarHBondContact O-N 2.02Å; A398-H402 WeakPolarHBondContact O-CB 3.32Å; A398-H402 PolarHBondContact O-N 3.36Å
399	H	98.1	Very high	96.4	Very high	45 Å²	45	24.2 Å²	24.2	21%	0.208	14%	0.144	C	C	.	.	H	α-helix	trans	-66.6	-37.7	172.8	-85.5	-81.1	0	0	0	112.3	Y395 V397 H402 Q403 V429 F431	Y395-H399 WeakPolarHBondContact O-CB 3.22Å; Y395-H399 PolarHBondContact O-CD2 2.68Å; Y395-H399 VanDerWaalsContact O-CD2 3.26Å; Y395-H399 PolarHBondContact O-N 3.31Å; V397-H399 PolarHBondContact O-N 3.15Å; H399-H402 WeakPolarHBondContact O-CB 3.01Å; H399-H402 PolarHBondContact O-N 3.1Å; H399-Q403 WeakPolarHBondContact O-CG 3.34Å; H399-Q403 PolarHBondContact O-N 2.93Å; H399-V429 HydrophobicContact CB-CB 4.49Å; H399-V429 HydrophobicContact CB-CG1 3.96Å; H399-F431 HydrophobicContact CB-CD1 3.98Å; H399-F431 HydrophobicContact CB-CE1 3.94Å; H399-F431 AromaticContact CD2-CD1 3.66Å; H399-F431 AromaticContact CD2-CD2 3.59Å; H399-F431 AromaticContact CD2-CE1 3.63Å; H399-F431 AromaticContact CD2-CE2 3.54Å; H399-F431 AromaticContact CD2-CG 3.65Å; H399-F431 AromaticContact CD2-CZ 3.57Å; H399-F431 AromaticContact CE1-CG 3.9Å; H399-F431 AromaticContact CG-CD1 3.67Å; H399-F431 AromaticContact CG-CE1 3.86Å; H399-F431 AromaticContact CG-CG 3.92Å; H399-F431 AromaticContact NE2-CD2 3.44Å; H399-F431 WeakPolarHBondContact NE2-CD2 3.47Å; H399-F431 AromaticContact NE2-CE2 3.76Å; H399-F431 AromaticContact NE2-CG 3.66Å
400	G	97.7	Very high	95.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-45.7	172	0	0	0	0	0	112.1	A396 V397 Q403 L404 Q425	A396-G400 PolarHBondContact O-N 3.3Å; V397-G400 PolarHBondContact O-N 3.21Å; G400-Q403 PolarHBondContact O-N 3.12Å; G400-L404 WeakPolarHBondContact O-CB 3.25Å; G400-L404 PolarHBondContact O-N 3.47Å; G400-Q425 WeakPolarHBondContact O-CB 3.39Å
401	L	97	Very high	95.5	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-43	173.8	-78.7	170.6	0	0	0	111.7	F39 L94 L99 V142 V397 A398 Q403 L404 L405 V417 L422	F39-L401 HydrophobicContact CB-CD1 4.33Å; L94-L401 HydrophobicContact CD1-CB 4.48Å; L94-L401 HydrophobicContact CD2-CB 3.99Å; L99-L401 HydrophobicContact CD2-CD1 3.68Å; V142-L401 HydrophobicContact CG2-CD1 4.33Å; V397-L401 HydrophobicContact CG1-CD1 4.35Å; V397-L401 PolarHBondContact O-N 2.86Å; A398-L401 PolarHBondContact O-N 2.02Å; L401-Q403 VanDerWaalsContact C-N 3.27Å; L401-Q403 PolarHBondContact O-N 3.32Å; L401-L404 PolarHBondContact O-N 3.47Å; L401-L404 VanDerWaalsContact O-N 3.12Å; L401-L405 WeakPolarHBondContact O-CB 3.49Å; L401-L405 VanDerWaalsContact O-CG 3.25Å; L401-L405 WeakPolarHBondContact O-CG 3.35Å; L401-L405 PolarHBondContact O-N 2.98Å; L401-V417 HydrophobicContact CD2-CG1 4.12Å; L401-V417 HydrophobicContact CD2-CG2 4.32Å; L401-L422 HydrophobicContact CB-CD1 4.38Å; L401-L422 HydrophobicContact CD2-CD1 3.91Å; L401-L422 HydrophobicContact CD2-CD2 3.95Å; L401-L422 HydrophobicContact CD2-CG 4.48Å; L401-L422 HydrophobicContact CG-CD1 3.73Å; L401-L422 HydrophobicContact CG-CD2 4.04Å
402	H	97.2	Very high	95.3	Very high	26 Å²	26	31.9 Å²	31.9	12%	0.12	20%	0.202	C	C	.	.	H	α-helix	trans	-57	-43.4	179.5	-171.6	99.3	0	0	0	111.9	A92 L93 L94 A398 H399 G406 C407	A92-H402 PolarHBondContact O-CE1 3.48Å; L93-H402 HydrophobicContact CD1-CB 3.81Å; L94-H402 HydrophobicContact CD2-CB 4.05Å; L94-H402 PolarHBondContact N-ND1 3.31Å; A398-H402 WeakPolarHBondContact O-CB 3.32Å; A398-H402 PolarHBondContact O-N 3.36Å; H399-H402 WeakPolarHBondContact O-CB 3.01Å; H399-H402 PolarHBondContact O-N 3.1Å; H402-G406 PolarHBondContact O-N 2.96Å; H402-C407 WeakPolarHBondContact CE1-CB 3.18Å; H402-C407 WeakPolarHBondContact ND1-CB 3.26Å; H402-C407 WeakPolarHBondContact NE2-CB 3.49Å; H402-C407 WeakPolarHBondContact O-CB 3.33Å; H402-C407 PolarHBondContact O-N 3.04Å
403	Q	95.9	Very high	95	Very high	74 Å²	74	34.6 Å²	34.6	35%	0.346	23%	0.225	S	C	.	.	H	α-helix	trans	-69.6	-44	175.2	-67.1	179.5	25.3	0	0	111.7	H399 G400 L401 L405 G406	H399-Q403 WeakPolarHBondContact O-CG 3.34Å; H399-Q403 PolarHBondContact O-N 2.93Å; G400-Q403 PolarHBondContact O-N 3.12Å; L401-Q403 VanDerWaalsContact C-N 3.27Å; L401-Q403 PolarHBondContact O-N 3.32Å; Q403-L405 VanDerWaalsContact C-N 3.31Å; Q403-L405 PolarHBondContact O-N 3.05Å; Q403-G406 PolarHBondContact O-N 2.98Å
404	L	95.9	Very high	94.4	Very high	44 Å²	44	43.3 Å²	43.3	23%	0.23	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-39.2	-178.9	-172.7	58.5	0	0	0	112.7	G400 L401 G406 V417 Q421 L422 Q425	G400-L404 WeakPolarHBondContact O-CB 3.25Å; G400-L404 PolarHBondContact O-N 3.47Å; L401-L404 PolarHBondContact O-N 3.47Å; L401-L404 VanDerWaalsContact O-N 3.12Å; L404-G406 VanDerWaalsContact C-N 3.31Å; L404-V417 HydrophobicContact CD2-CB 4.3Å; L404-V417 HydrophobicContact CD2-CG1 3.52Å; L404-V417 HydrophobicContact CD2-CG2 3.93Å; L404-Q421 HydrophobicContact CD1-CB 4Å; L404-Q421 HydrophobicContact CD2-CB 4.02Å; L404-L422 HydrophobicContact CD2-CB 4.21Å; L404-Q425 HydrophobicContact CB-CG 3.9Å; L404-Q425 HydrophobicContact CD1-CG 4.01Å; L404-Q425 HydrophobicContact CG-CG 4.46Å
405	L	96.3	Very high	93.7	Very high	12 Å²	12	45.2 Å²	45.2	6%	0.063	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	0.6	-178.7	-58.3	175.9	0	0	0	112.9	F39 L94 I97 L401 Q403 C407 C412 A413 V417	F39-L405 HydrophobicContact CD2-CD1 4.35Å; F39-L405 HydrophobicContact CE2-CD1 3.52Å; F39-L405 HydrophobicContact CE2-CD2 4.34Å; F39-L405 HydrophobicContact CZ-CD1 3.95Å; F39-L405 HydrophobicContact CZ-CD2 3.9Å; L94-L405 HydrophobicContact CD2-CD1 4.25Å; I97-L405 HydrophobicContact CG1-CD1 4.49Å; I97-L405 HydrophobicContact CG2-CD1 4.35Å; L401-L405 WeakPolarHBondContact O-CB 3.49Å; L401-L405 VanDerWaalsContact O-CG 3.25Å; L401-L405 WeakPolarHBondContact O-CG 3.35Å; L401-L405 PolarHBondContact O-N 2.98Å; Q403-L405 VanDerWaalsContact C-N 3.31Å; Q403-L405 PolarHBondContact O-N 3.05Å; L405-C407 VanDerWaalsContact C-N 3.31Å; L405-C407 PolarHBondContact O-N 3.38Å; L405-C412 HydrophobicContact CB-CB 4.21Å; L405-A413 WeakPolarHBondContact CD2-O 3.32Å; L405-A413 WeakPolarHBondContact O-CB 3.47Å; L405-A413 PolarHBondContact O-N 3.12Å; L405-V417 HydrophobicContact CD2-CG2 3.8Å
406	G	94.8	Very high	93.1	Very high	38 Å²	38	49.3 Å²	49.3	39%	0.392	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	30.7	178.5	0	0	0	0	0	114.3	H402 Q403 L404 T408	H402-G406 PolarHBondContact O-N 2.96Å; Q403-G406 PolarHBondContact O-N 2.98Å; L404-G406 VanDerWaalsContact C-N 3.31Å; G406-T408 PolarHBondContact O-N 2.82Å; G406-T408 VanDerWaalsContact O-N 3.13Å
407	C	95.1	Very high	92.7	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.014	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-67.8	-10.5	-173.2	-60.8	0	0	0	0	114.7	H402 L405 S409 G410 C412	H402-C407 WeakPolarHBondContact CE1-CB 3.18Å; H402-C407 WeakPolarHBondContact ND1-CB 3.26Å; H402-C407 WeakPolarHBondContact NE2-CB 3.49Å; H402-C407 WeakPolarHBondContact O-CB 3.33Å; H402-C407 PolarHBondContact O-N 3.04Å; L405-C407 VanDerWaalsContact C-N 3.31Å; L405-C407 PolarHBondContact O-N 3.38Å; C407-S409 PolarHBondContact O-N 2.78Å; C407-S409 VanDerWaalsContact O-N 3.09Å; C407-G410 PolarHBondContact O-N 3.42Å; C407-C412 HydrophobicContact CB-CB 4.21Å; C407-C412 WeakPolarHBondContact CB-SG 3.27Å; C407-C412 WeakPolarHBondContact SG-CB 3.02Å; C407-C412 CovalentContact SG-SG 2.03Å; C407-C412 PolarHBondContact SG-SG 3.43Å
408	T	89	Confident	92.3	Very high	119 Å²	119	52.4 Å²	52.4	73%	0.73	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-57	-27.2	-177.5	-42.7	0	0	0	0	113.3	G406 G410	G406-T408 PolarHBondContact O-N 2.82Å; G406-T408 VanDerWaalsContact O-N 3.13Å; T408-G410 PolarHBondContact O-N 3.17Å
409	S	85.7	Confident	92	Very high	109 Å²	109	52.7 Å²	52.7	76%	0.762	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-79.1	6	176.8	-54.8	0	0	0	0	113.8	C407 T411	C407-S409 PolarHBondContact O-N 2.78Å; C407-S409 VanDerWaalsContact O-N 3.09Å; S409-T411 VanDerWaalsContact C-N 3.32Å
410	G	86.1	Confident	91.7	Very high	48 Å²	48	54 Å²	54	50%	0.495	33%	0.328	S	S	.	.	S	Bend	trans	86.3	-4.8	-175.9	0	0	0	0	0	114.6	C407 T408	C407-G410 PolarHBondContact O-N 3.42Å; T408-G410 PolarHBondContact O-N 3.17Å
411	T	89.8	Confident	91.6	Very high	100 Å²	100	56.5 Å²	56.5	61%	0.613	34%	0.34	S	S	*	.			trans	-131.9	130.4	176.8	55.8	0	0	0	0	110.2	S409	S409-T411 VanDerWaalsContact C-N 3.32Å
412	C	93.9	Very high	91.5	Very high	22 Å²	22	56.5 Å²	56.5	15%	0.149	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-90.7	137.2	175.2	-60.1	0	0	0	0	111.5	P95 I97 L405 C407	P95-C412 VanDerWaalsContact CD-SG 3.57Å; I97-C412 HydrophobicContact CD1-CB 4.23Å; I97-C412 HydrophobicContact CG1-CB 3.5Å; I97-C412 VanDerWaalsContact CG1-CB 3.5Å; L405-C412 HydrophobicContact CB-CB 4.21Å; C407-C412 HydrophobicContact CB-CB 4.21Å; C407-C412 WeakPolarHBondContact CB-SG 3.27Å; C407-C412 WeakPolarHBondContact SG-CB 3.02Å; C407-C412 CovalentContact SG-SG 2.03Å; C407-C412 PolarHBondContact SG-SG 3.43Å
413	A	91.9	Very high	91.5	Very high	59 Å²	59	55.9 Å²	55.9	49%	0.488	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-65	140.4	167.9	0	0	0	0	0	110.2	L405	L405-A413 WeakPolarHBondContact CD2-O 3.32Å; L405-A413 WeakPolarHBondContact O-CB 3.47Å; L405-A413 PolarHBondContact O-N 3.12Å
414	R	85.6	Confident	91.5	Very high	184 Å²	184	57.2 Å²	57.2	69%	0.694	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-101.7	122.2	170	-72.1	-177.1	173.4	155	-0.5	108.6	N96 I97	N96-R414 PolarHBondContact O-NH2 3.38Å; I97-R414 HydrophobicContact CD1-CG 3.82Å
415	G	83.8	Confident	91.6	Very high	39 Å²	39	56.8 Å²	56.8	40%	0.402	34%	0.34	S	S	.	.	S	Bend	trans	-174.3	167.3	-178.7	0	0	0	0	0	111.9	V417	G415-V417 PolarHBondContact O-N 3.05Å
416	P	85.9	Confident	91.7	Very high	115 Å²	115	56.2 Å²	56.2	75%	0.747	34%	0.337	S	S	*	.			trans	-63.6	133.8	175.8	28	-33.5	0	0	0	109.8
417	V	89.8	Confident	91.8	Very high	20 Å²	20	57.3 Å²	57.3	12%	0.121	33%	0.33	C	S	.	.			trans	-110	118.4	174.1	167	0	0	0	0	108	F39 V142 L401 L404 L405 G415 L422	F39-V417 HydrophobicContact CD1-CB 4.33Å; F39-V417 HydrophobicContact CD1-CG2 4.27Å; F39-V417 HydrophobicContact CE1-CB 3.84Å; F39-V417 HydrophobicContact CE1-CG2 3.45Å; F39-V417 VanDerWaalsContact CE1-CG2 3.45Å; F39-V417 HydrophobicContact CZ-CG2 3.87Å; V142-V417 HydrophobicContact CG1-CB 4.34Å; V142-V417 HydrophobicContact CG1-CG1 4.18Å; L401-V417 HydrophobicContact CD2-CG1 4.12Å; L401-V417 HydrophobicContact CD2-CG2 4.32Å; L404-V417 HydrophobicContact CD2-CB 4.3Å; L404-V417 HydrophobicContact CD2-CG1 3.52Å; L404-V417 HydrophobicContact CD2-CG2 3.93Å; L405-V417 HydrophobicContact CD2-CG2 3.8Å; G415-V417 PolarHBondContact O-N 3.05Å; V417-L422 HydrophobicContact CG1-CB 4.09Å
418	H	89.6	Confident	91.9	Very high	45 Å²	45	63.2 Å²	63.2	21%	0.208	36%	0.355	C	S	.	.			trans	-83.8	140.7	171.1	-65.3	-75.3	0	0	0	110.5	W420 Q421 L422	H418-W420 VanDerWaalsContact C-N 3.26Å; H418-W420 PolarHBondContact O-N 2.73Å; H418-W420 VanDerWaalsContact O-N 3.16Å; H418-Q421 HydrophobicContact CB-CG 4.18Å; H418-Q421 PolarHBondContact CD2-OE1 3.4Å; H418-Q421 WeakPolarHBondContact O-CB 3.47Å; H418-Q421 PolarHBondContact O-N 3.21Å; H418-L422 PolarHBondContact O-N 3.12Å
419	P	92.1	Very high	92.2	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.032	32%	0.321	C	S	.	.	H	α-helix	trans	-54.8	-38.4	-177	-26.9	33.3	0	0	0	114.2	S139 L164 M165 P166 Q421 L422 L423	S139-P419 WeakPolarHBondContact OG-CG 3.2Å; L164-P419 CarbonylContact O-C 3.51Å; M165-P419 HydrophobicContact CB-CB 4.27Å; M165-P419 HydrophobicContact CE-CB 4.27Å; M165-P419 HydrophobicContact CE-CG 3.8Å; M165-P419 HydrophobicContact SD-CB 3.7Å; M165-P419 HydrophobicContact SD-CG 3.76Å; P166-P419 WeakPolarHBondContact CD-O 3.25Å; P166-P419 WeakPolarHBondContact CG-O 3.07Å; P419-Q421 VanDerWaalsContact C-N 3.3Å; P419-Q421 PolarHBondContact O-N 3.17Å; P419-L422 PolarHBondContact O-N 3.05Å; P419-L423 PolarHBondContact O-N 2.88Å
420	W	93.1	Very high	92.8	Very high	72 Å²	72	58.2 Å²	58.2	27%	0.273	32%	0.316	S	S	.	.	H	α-helix	trans	-65.2	-30.6	178.3	73.6	-95.8	0	0	0	113.5	R135 L164 H418 Q424	R135-W420 VanDerWaalsContact O-CD1 3.26Å; L164-W420 HydrophobicContact CB-CB 3.75Å; L164-W420 HydrophobicContact CD1-CB 3.94Å; H418-W420 VanDerWaalsContact C-N 3.26Å; H418-W420 PolarHBondContact O-N 2.73Å; H418-W420 VanDerWaalsContact O-N 3.16Å; W420-Q424 WeakPolarHBondContact O-CG 3.35Å; W420-Q424 PolarHBondContact O-N 3.01Å
421	Q	94.7	Very high	93.2	Very high	54 Å²	54	57 Å²	57	25%	0.252	30%	0.297	S	S	.	.	H	α-helix	trans	-71	-43.1	176.9	-64	174.6	-57.2	0	0	109.9	L404 H418 P419 L423 Q424 Q425	L404-Q421 HydrophobicContact CD1-CB 4Å; L404-Q421 HydrophobicContact CD2-CB 4.02Å; H418-Q421 HydrophobicContact CB-CG 4.18Å; H418-Q421 PolarHBondContact CD2-OE1 3.4Å; H418-Q421 WeakPolarHBondContact O-CB 3.47Å; H418-Q421 PolarHBondContact O-N 3.21Å; P419-Q421 VanDerWaalsContact C-N 3.3Å; P419-Q421 PolarHBondContact O-N 3.17Å; Q421-L423 VanDerWaalsContact C-N 3.35Å; Q421-Q424 PolarHBondContact O-N 2.72Å; Q421-Q425 PolarHBondContact O-N 3.32Å
422	L	95.8	Very high	93.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-42.3	175.7	179.1	54.7	0	0	0	111.1	V142 A143 P166 V397 L401 L404 V417 H418 P419 Q424 Q425 I426	V142-L422 HydrophobicContact CB-CD2 3.83Å; V142-L422 HydrophobicContact CG2-CD2 3.77Å; A143-L422 HydrophobicContact CB-CD2 4.23Å; P166-L422 HydrophobicContact CG-CB 4.4Å; P166-L422 HydrophobicContact CG-CG 4.29Å; V397-L422 HydrophobicContact CG1-CD2 4.14Å; L401-L422 HydrophobicContact CB-CD1 4.38Å; L401-L422 HydrophobicContact CD2-CD1 3.91Å; L401-L422 HydrophobicContact CD2-CD2 3.95Å; L401-L422 HydrophobicContact CD2-CG 4.48Å; L401-L422 HydrophobicContact CG-CD1 3.73Å; L401-L422 HydrophobicContact CG-CD2 4.04Å; L404-L422 HydrophobicContact CD2-CB 4.21Å; V417-L422 HydrophobicContact CG1-CB 4.09Å; H418-L422 PolarHBondContact O-N 3.12Å; P419-L422 PolarHBondContact O-N 3.05Å; L422-Q424 VanDerWaalsContact C-N 3.27Å; L422-Q424 PolarHBondContact O-N 2.75Å; L422-Q425 PolarHBondContact O-N 2.93Å; L422-I426 HydrophobicContact CD1-CD1 4.15Å; L422-I426 HydrophobicContact CD1-CG1 4.07Å; L422-I426 HydrophobicContact CD2-CD1 4.48Å; L422-I426 HydrophobicContact CG-CD1 3.82Å; L422-I426 HydrophobicContact CG-CG1 4.25Å; L422-I426 WeakPolarHBondContact O-CG1 3.06Å; L422-I426 PolarHBondContact O-N 3.16Å
423	L	96.9	Very high	93.5	Very high	13 Å²	13	57.3 Å²	57.3	7%	0.068	29%	0.292	C	S	.	.	H	α-helix	trans	-52	-46.3	175.4	-177.1	62.6	0	0	0	111.9	L164 P166 L187 P419 Q421 Q425 I426 Y427	L164-L423 HydrophobicContact CB-CD2 4.22Å; P166-L423 HydrophobicContact CB-CD1 4.03Å; P166-L423 HydrophobicContact CG-CB 3.92Å; P166-L423 HydrophobicContact CG-CD1 4.3Å; L187-L423 HydrophobicContact CD1-CD1 3.66Å; P419-L423 PolarHBondContact O-N 2.88Å; Q421-L423 VanDerWaalsContact C-N 3.35Å; L423-Q425 VanDerWaalsContact C-N 3.27Å; L423-Q425 PolarHBondContact O-N 3.29Å; L423-I426 PolarHBondContact O-N 2.6Å; L423-Y427 HydrophobicContact CD1-CD2 4.16Å; L423-Y427 HydrophobicContact CD1-CE2 3.84Å; L423-Y427 HydrophobicContact CG-CD2 4.27Å; L423-Y427 HydrophobicContact CG-CE2 4.16Å; L423-Y427 WeakPolarHBondContact O-CD2 3.29Å; L423-Y427 PolarHBondContact O-N 3.19Å
424	Q	96.5	Very high	93.5	Very high	101 Å²	101	58.1 Å²	58.1	47%	0.472	29%	0.286	S	S	.	.	H	α-helix	trans	-63.5	-30.7	179.1	-72	-178.8	-8.7	0	0	113.5	W420 Q421 L422 K428	W420-Q424 WeakPolarHBondContact O-CG 3.35Å; W420-Q424 PolarHBondContact O-N 3.01Å; Q421-Q424 PolarHBondContact O-N 2.72Å; L422-Q424 VanDerWaalsContact C-N 3.27Å; L422-Q424 PolarHBondContact O-N 2.75Å; Q424-K428 WeakPolarHBondContact O-CD 3.31Å; Q424-K428 WeakPolarHBondContact O-CE 3.47Å; Q424-K428 WeakPolarHBondContact O-CG 3.3Å
425	Q	97.5	Very high	93.7	Very high	36 Å²	36	58.3 Å²	58.3	17%	0.168	29%	0.292	C	S	.	.	H	α-helix	trans	-81.5	-35.1	176.3	-56.7	-53.5	-24.5	0	0	111.8	G400 L404 Q421 L422 L423 Y427 K428 V429	G400-Q425 WeakPolarHBondContact O-CB 3.39Å; L404-Q425 HydrophobicContact CB-CG 3.9Å; L404-Q425 HydrophobicContact CD1-CG 4.01Å; L404-Q425 HydrophobicContact CG-CG 4.46Å; Q421-Q425 PolarHBondContact O-N 3.32Å; L422-Q425 PolarHBondContact O-N 2.93Å; L423-Q425 VanDerWaalsContact C-N 3.27Å; L423-Q425 PolarHBondContact O-N 3.29Å; Q425-Y427 VanDerWaalsContact C-N 3.3Å; Q425-Y427 PolarHBondContact O-N 3.28Å; Q425-K428 WeakPolarHBondContact O-CA 3.46Å; Q425-K428 WeakPolarHBondContact O-CB 3.29Å; Q425-K428 PolarHBondContact O-N 2.83Å; Q425-V429 WeakPolarHBondContact O-CG1 3.44Å; Q425-V429 PolarHBondContact O-N 3.08Å
426	I	97.9	Very high	94	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.9	-42.3	174.8	-66.5	167.8	0	0	0	110.6	P166 L187 V397 L422 L423 K428 V429 F440	P166-I426 HydrophobicContact CB-CD1 3.62Å; P166-I426 HydrophobicContact CG-CD1 3.93Å; L187-I426 HydrophobicContact CD1-CG2 4.31Å; L187-I426 HydrophobicContact CD2-CG2 3.81Å; V397-I426 HydrophobicContact CG2-CD1 3.94Å; L422-I426 HydrophobicContact CD1-CD1 4.15Å; L422-I426 HydrophobicContact CD1-CG1 4.07Å; L422-I426 HydrophobicContact CD2-CD1 4.48Å; L422-I426 HydrophobicContact CG-CD1 3.82Å; L422-I426 HydrophobicContact CG-CG1 4.25Å; L422-I426 WeakPolarHBondContact O-CG1 3.06Å; L422-I426 PolarHBondContact O-N 3.16Å; L423-I426 PolarHBondContact O-N 2.6Å; I426-K428 PolarHBondContact O-N 2.95Å; I426-K428 VanDerWaalsContact O-N 3.13Å; I426-V429 WeakPolarHBondContact O-CG2 3.47Å; I426-V429 PolarHBondContact O-N 3.31Å; I426-F440 HydrophobicContact CG2-CD2 4.35Å; I426-F440 HydrophobicContact CG2-CE2 3.97Å
427	Y	96.9	Very high	94.4	Very high	61 Å²	61	55.7 Å²	55.7	24%	0.239	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.2	174.4	-88.2	-77.8	0	0	0	114.4	K180 L187 L423 Q425	K180-Y427 WeakPolarHBondContact CE-OH 3.28Å; K180-Y427 PolarHBondContact NZ-OH 3.22Å; L187-Y427 HydrophobicContact CD1-CE2 4.31Å; L187-Y427 HydrophobicContact CD2-CD1 4.25Å; L187-Y427 HydrophobicContact CD2-CD2 4.33Å; L187-Y427 HydrophobicContact CD2-CE1 4.1Å; L187-Y427 HydrophobicContact CD2-CE2 4.18Å; L187-Y427 HydrophobicContact CD2-CG 4.37Å; L187-Y427 HydrophobicContact CG-CE2 4.33Å; L423-Y427 HydrophobicContact CD1-CD2 4.16Å; L423-Y427 HydrophobicContact CD1-CE2 3.84Å; L423-Y427 HydrophobicContact CG-CD2 4.27Å; L423-Y427 HydrophobicContact CG-CE2 4.16Å; L423-Y427 WeakPolarHBondContact O-CD2 3.29Å; L423-Y427 PolarHBondContact O-N 3.19Å; Q425-Y427 VanDerWaalsContact C-N 3.3Å; Q425-Y427 PolarHBondContact O-N 3.28Å
428	K	96.8	Very high	94.7	Very high	125 Å²	125	55 Å²	55	54%	0.543	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-2.7	-179.4	-63.9	173.1	-170.8	171.3	0	113.1	Q424 Q425 I426 N430	Q424-K428 WeakPolarHBondContact O-CD 3.31Å; Q424-K428 WeakPolarHBondContact O-CE 3.47Å; Q424-K428 WeakPolarHBondContact O-CG 3.3Å; Q425-K428 WeakPolarHBondContact O-CA 3.46Å; Q425-K428 WeakPolarHBondContact O-CB 3.29Å; Q425-K428 PolarHBondContact O-N 2.83Å; I426-K428 PolarHBondContact O-N 2.95Å; I426-K428 VanDerWaalsContact O-N 3.13Å; K428-N430 PolarHBondContact O-N 2.89Å
429	V	96.8	Very high	95	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.018	25%	0.254	C	S	.	.			trans	-65.5	135.2	-179.5	-57.5	0	0	0	0	110.2	A396 H399 Q425 I426 F431 F440	A396-V429 HydrophobicContact CB-CG2 4.43Å; H399-V429 HydrophobicContact CB-CB 4.49Å; H399-V429 HydrophobicContact CB-CG1 3.96Å; Q425-V429 WeakPolarHBondContact O-CG1 3.44Å; Q425-V429 PolarHBondContact O-N 3.08Å; I426-V429 WeakPolarHBondContact O-CG2 3.47Å; I426-V429 PolarHBondContact O-N 3.31Å; V429-F431 HydrophobicContact CB-CD1 4.04Å; V429-F431 HydrophobicContact CB-CE1 4.06Å; V429-F431 HydrophobicContact CG2-CD1 4.4Å; V429-F431 HydrophobicContact CG2-CE1 4.04Å; V429-F440 HydrophobicContact CG2-CD2 3.95Å; V429-F440 HydrophobicContact CG2-CE2 3.73Å
430	N	96.8	Very high	95.2	Very high	120 Å²	120	54.2 Å²	54.2	64%	0.642	26%	0.257	S	S	*	.			trans	-151.3	98.8	172.3	-175.2	-13.5	0	0	0	106.8	K428 T437 V438	K428-N430 PolarHBondContact O-N 2.89Å; N430-T437 WeakPolarHBondContact OD1-CG2 3.44Å; N430-V438 WeakPolarHBondContact CA-O 3.3Å
431	F	96	Very high	95.2	Very high	22 Å²	22	53 Å²	53	10%	0.096	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	163.7	-177.4	64.6	-84.4	0	0	0	110.7	Y395 H399 V429 L433 T437 V438	Y395-F431 HydrophobicContact CD1-CE2 4.34Å; H399-F431 HydrophobicContact CB-CD1 3.98Å; H399-F431 HydrophobicContact CB-CE1 3.94Å; H399-F431 AromaticContact CD2-CD1 3.66Å; H399-F431 AromaticContact CD2-CD2 3.59Å; H399-F431 AromaticContact CD2-CE1 3.63Å; H399-F431 AromaticContact CD2-CE2 3.54Å; H399-F431 AromaticContact CD2-CG 3.65Å; H399-F431 AromaticContact CD2-CZ 3.57Å; H399-F431 AromaticContact CE1-CG 3.9Å; H399-F431 AromaticContact CG-CD1 3.67Å; H399-F431 AromaticContact CG-CE1 3.86Å; H399-F431 AromaticContact CG-CG 3.92Å; H399-F431 AromaticContact NE2-CD2 3.44Å; H399-F431 WeakPolarHBondContact NE2-CD2 3.47Å; H399-F431 AromaticContact NE2-CE2 3.76Å; H399-F431 AromaticContact NE2-CG 3.66Å; V429-F431 HydrophobicContact CB-CD1 4.04Å; V429-F431 HydrophobicContact CB-CE1 4.06Å; V429-F431 HydrophobicContact CG2-CD1 4.4Å; V429-F431 HydrophobicContact CG2-CE1 4.04Å; F431-L433 HydrophobicContact CD2-CB 4.31Å; F431-L433 HydrophobicContact CE2-CB 3.95Å; F431-L433 HydrophobicContact CE2-CD1 4.48Å; F431-L433 HydrophobicContact CE2-CD2 4.34Å; F431-T437 WeakPolarHBondContact O-CA 3.33Å; F431-V438 HydrophobicContact CD1-CB 4.23Å; F431-V438 HydrophobicContact CD2-CB 4.39Å; F431-V438 HydrophobicContact CE1-CB 3.73Å; F431-V438 HydrophobicContact CE1-CG1 3.73Å; F431-V438 HydrophobicContact CE2-CB 3.91Å; F431-V438 HydrophobicContact CE2-CG1 4.43Å; F431-V438 HydrophobicContact CE2-CG2 3.91Å; F431-V438 HydrophobicContact CZ-CB 3.55Å; F431-V438 HydrophobicContact CZ-CG1 3.61Å; F431-V438 HydrophobicContact CZ-CG2 3.92Å; F431-V438 PolarHBondContact N-O 3.47Å; F431-V438 PolarHBondContact O-N 3.32Å
432	L	95.4	Very high	95.2	Very high	118 Å²	118	57.9 Å²	57.9	62%	0.618	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.3	178.7	-164.4	77.3	0	0	0	109.8	K436	L432-K436 CarbonylContact C-O 3.49Å; L432-K436 WeakPolarHBondContact CA-O 3.29Å
433	L	94.5	Very high	95.1	Very high	11 Å²	11	62.5 Å²	62.5	6%	0.058	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	114.1	174.5	-166.6	63.1	0	0	0	109.1	Y388 Y391 E392 Y395 F431 K435 K436 V438	Y388-L433 PolarHBondContact OH-O 2.95Å; Y388-L433 VanDerWaalsContact OH-O 3.11Å; Y391-L433 HydrophobicContact CD1-CD2 3.56Å; Y391-L433 HydrophobicContact CD1-CG 4.23Å; Y391-L433 HydrophobicContact CE1-CD1 3.71Å; Y391-L433 HydrophobicContact CE1-CD2 3.54Å; Y391-L433 HydrophobicContact CE1-CG 3.74Å; E392-L433 HydrophobicContact CG-CD2 3.87Å; Y395-L433 HydrophobicContact CD1-CD1 3.89Å; Y395-L433 HydrophobicContact CD2-CD1 4.07Å; Y395-L433 HydrophobicContact CD2-CD2 4.09Å; Y395-L433 HydrophobicContact CE1-CD1 3.95Å; Y395-L433 HydrophobicContact CE2-CD1 4.16Å; Y395-L433 HydrophobicContact CG-CD1 3.94Å; Y395-L433 HydrophobicContact CG-CD2 4.03Å; F431-L433 HydrophobicContact CD2-CB 4.31Å; F431-L433 HydrophobicContact CE2-CB 3.95Å; F431-L433 HydrophobicContact CE2-CD1 4.48Å; F431-L433 HydrophobicContact CE2-CD2 4.34Å; L433-K435 VanDerWaalsContact C-N 3.28Å; L433-K435 PolarHBondContact O-N 3.13Å; L433-K436 PolarHBondContact N-O 2.95Å; L433-K436 WeakPolarHBondContact O-CB 3.41Å; L433-K436 PolarHBondContact O-N 3.41Å; L433-V438 HydrophobicContact CB-CG2 3.87Å; L433-V438 HydrophobicContact CD2-CG2 4.34Å
434	H	92	Very high	95.1	Very high	77 Å²	77	61.9 Å²	61.9	36%	0.356	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.8	50.6	-173.3	-51.4	121.6	0	0	0	113.8	R330 Y388 Y391 K436	R330-H434 PolarHBondContact NH1-O 3.27Å; Y388-H434 AromaticContact CE2-ND1 3.54Å; Y388-H434 AromaticContact CZ-ND1 3.89Å; Y388-H434 WeakPolarHBondContact OH-CB 3.27Å; Y388-H434 PolarHBondContact OH-ND1 2.85Å; Y391-H434 AromaticContact CE1-CE1 3.4Å; Y391-H434 VanDerWaalsContact CE1-CE1 3.4Å; Y391-H434 WeakPolarHBondContact CE1-CE1 3.42Å; Y391-H434 AromaticContact CE1-ND1 3.75Å; Y391-H434 AromaticContact CZ-CE1 3.67Å; Y391-H434 PolarHBondContact OH-CE1 2.92Å; H434-K436 PolarHBondContact O-N 3.46Å
435	K	89.4	Confident	94.9	Very high	188 Å²	188	57.2 Å²	57.2	82%	0.817	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	11.5	-177.8	-50.9	175.5	-178.7	174.5	0	115.4	L433	L433-K435 VanDerWaalsContact C-N 3.28Å; L433-K435 PolarHBondContact O-N 3.13Å
436	K	90.2	Very high	94.8	Very high	32 Å²	32	56.1 Å²	56.1	14%	0.139	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133	169.5	-177.1	169	164.4	-154.1	0	109.8	Y388 E392 L432 L433 H434 V438	Y388-K436 HydrophobicContact CE1-CD 4.39Å; E392-K436 WeakPolarHBondContact OE1-CD 3.38Å; E392-K436 WeakPolarHBondContact OE1-CE 3.37Å; E392-K436 IonicContact OE1-NZ 2.78Å; E392-K436 PolarHBondContact OE1-NZ 3.23Å; E392-K436 IonicContact OE2-NZ 3.38Å; E392-K436 PolarHBondContact OE2-NZ 2.88Å; L432-K436 CarbonylContact C-O 3.49Å; L432-K436 WeakPolarHBondContact CA-O 3.29Å; L433-K436 PolarHBondContact N-O 2.95Å; L433-K436 WeakPolarHBondContact O-CB 3.41Å; L433-K436 PolarHBondContact O-N 3.41Å; H434-K436 PolarHBondContact O-N 3.46Å; K436-V438 PolarHBondContact O-N 2.8Å
437	T	93.7	Very high	94.3	Very high	66 Å²	66	60.3 Å²	60.3	41%	0.405	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	122	172	-56.1	0	0	0	0	109.1	N430 F431 A439	N430-T437 WeakPolarHBondContact OD1-CG2 3.44Å; F431-T437 WeakPolarHBondContact O-CA 3.33Å; T437-A439 HydrophobicContact CG2-CB 4.46Å
438	V	95.7	Very high	93.7	Very high	6 Å²	6	58.4 Å²	58.4	4%	0.036	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	112.1	172.7	-177.4	0	0	0	0	108	E392 A396 N430 F431 L433 K436	E392-V438 HydrophobicContact CG-CG2 4.09Å; A396-V438 HydrophobicContact CB-CG1 4.41Å; N430-V438 WeakPolarHBondContact CA-O 3.3Å; F431-V438 HydrophobicContact CD1-CB 4.23Å; F431-V438 HydrophobicContact CD2-CB 4.39Å; F431-V438 HydrophobicContact CE1-CB 3.73Å; F431-V438 HydrophobicContact CE1-CG1 3.73Å; F431-V438 HydrophobicContact CE2-CB 3.91Å; F431-V438 HydrophobicContact CE2-CG1 4.43Å; F431-V438 HydrophobicContact CE2-CG2 3.91Å; F431-V438 HydrophobicContact CZ-CB 3.55Å; F431-V438 HydrophobicContact CZ-CG1 3.61Å; F431-V438 HydrophobicContact CZ-CG2 3.92Å; F431-V438 PolarHBondContact N-O 3.47Å; F431-V438 PolarHBondContact O-N 3.32Å; L433-V438 HydrophobicContact CB-CG2 3.87Å; L433-V438 HydrophobicContact CD2-CG2 4.34Å; K436-V438 PolarHBondContact O-N 2.8Å
439	A	96	Very high	93.3	Very high	13 Å²	13	58.5 Å²	58.5	11%	0.107	29%	0.293	C	S	.	.			trans	-155.3	156.3	177.5	0	0	0	0	0	109.5	T437 L447	T437-A439 HydrophobicContact CG2-CB 4.46Å; A439-L447 HydrophobicContact CB-CD1 4.31Å
440	F	95.8	Very high	93.2	Very high	21 Å²	21	58.3 Å²	58.3	9%	0.092	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-118.7	143.9	179.1	-54	-80.8	0	0	0	110.6	L187 R188 T189 A396 I426 V429 D445	L187-F440 HydrophobicContact CB-CD1 4.33Å; L187-F440 HydrophobicContact CB-CE1 4.35Å; L187-F440 HydrophobicContact CD2-CB 4.08Å; L187-F440 HydrophobicContact CD2-CD1 4.05Å; L187-F440 HydrophobicContact CD2-CD2 3.81Å; L187-F440 HydrophobicContact CD2-CE1 4.47Å; L187-F440 HydrophobicContact CD2-CE2 4.25Å; L187-F440 HydrophobicContact CD2-CG 3.7Å; R188-F440 VanDerWaalsContact O-CE1 3.28Å; R188-F440 WeakPolarHBondContact O-CE1 3.25Å; T189-F440 HydrophobicContact CG2-CE1 4.31Å; T189-F440 HydrophobicContact CG2-CZ 4.41Å; A396-F440 HydrophobicContact CB-CE2 3.81Å; A396-F440 HydrophobicContact CB-CZ 3.83Å; I426-F440 HydrophobicContact CG2-CD2 4.35Å; I426-F440 HydrophobicContact CG2-CE2 3.97Å; V429-F440 HydrophobicContact CG2-CD2 3.95Å; V429-F440 HydrophobicContact CG2-CE2 3.73Å; F440-D445 WeakPolarHBondContact CA-O 3.36Å
441	D	93.6	Very high	93.2	Very high	46 Å²	46	53.4 Å²	53.4	25%	0.246	27%	0.266	C	S	.	.			trans	-80.7	-179.3	170.4	74.5	3.9	0	0	0	112.1	K443 G444 D445	D441-K443 PolarHBondContact O-N 2.96Å; D441-K443 VanDerWaalsContact OD1-C 3.23Å; D441-K443 WeakPolarHBondContact OD1-CA 3.43Å; D441-K443 VanDerWaalsContact OD1-CB 3.27Å; D441-K443 WeakPolarHBondContact OD1-CB 3.28Å; D441-K443 PolarHBondContact OD1-N 3.45Å; D441-G444 PolarHBondContact O-N 3.37Å; D441-G444 PolarHBondContact OD1-N 2.89Å; D441-D445 PolarHBondContact N-O 2.99Å; D441-D445 WeakPolarHBondContact OD1-CB 3.39Å; D441-D445 PolarHBondContact OD1-N 2.83Å
442	D	94.1	Very high	93.3	Very high	156 Å²	156	52.4 Å²	52.4	83%	0.834	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.5	177.5	-61.7	-25.5	0	0	0	113.3
443	K	95.1	Very high	93.3	Very high	98 Å²	98	46.8 Å²	46.8	43%	0.426	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	5.6	175.1	-61.8	-173.5	178.8	-168.3	0	112.6	K180 D441 D445	K180-K443 WeakPolarHBondContact CE-O 3.44Å; K180-K443 PolarHBondContact NZ-O 2.94Å; D441-K443 PolarHBondContact O-N 2.96Å; D441-K443 VanDerWaalsContact OD1-C 3.23Å; D441-K443 WeakPolarHBondContact OD1-CA 3.43Å; D441-K443 VanDerWaalsContact OD1-CB 3.27Å; D441-K443 WeakPolarHBondContact OD1-CB 3.28Å; D441-K443 PolarHBondContact OD1-N 3.45Å; K443-D445 WeakPolarHBondContact CB-OD2 3.42Å; K443-D445 PolarHBondContact O-N 3.42Å
444	G	95.5	Very high	93.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	66.5	19.7	-177.8	0	0	0	0	0	112.6	L187 R188 D441	L187-G444 WeakPolarHBondContact CA-O 3.26Å; R188-G444 PolarHBondContact N-O 3.36Å; D441-G444 PolarHBondContact O-N 3.37Å; D441-G444 PolarHBondContact OD1-N 2.89Å
445	D	94.3	Very high	93.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.011	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-91.1	144	178.7	-65.5	-39.7	0	0	0	109.9	S178 R188 F440 D441 K443	S178-D445 PolarHBondContact OG-OD1 3.39Å; S178-D445 PolarHBondContact OG-OD2 3.45Å; R188-D445 IonicContact CZ-OD1 2.94Å; R188-D445 IonicContact NE-OD1 4Å; R188-D445 PolarHBondContact NE-OD1 2.7Å; R188-D445 IonicContact NH2-OD1 3.83Å; R188-D445 PolarHBondContact NH2-OD1 3.07Å; R188-D445 IonicContact NH2-OD2 3.31Å; F440-D445 WeakPolarHBondContact CA-O 3.36Å; D441-D445 PolarHBondContact N-O 2.99Å; D441-D445 WeakPolarHBondContact OD1-CB 3.39Å; D441-D445 PolarHBondContact OD1-N 2.83Å; K443-D445 WeakPolarHBondContact CB-OD2 3.42Å; K443-D445 PolarHBondContact O-N 3.42Å
446	P	93.4	Very high	93.8	Very high	13 Å²	13	36.7 Å²	36.7	8%	0.084	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-79.9	156.2	-178.8	34.4	-35.1	0	0	0	111.2	R188 I190	R188-P446 WeakPolarHBondContact O-CD 3.14Å; I190-P446 VanDerWaalsContact O-CD 3.31Å; I190-P446 WeakPolarHBondContact O-CD 3.39Å; I190-P446 WeakPolarHBondContact O-CG 3.39Å
447	L	87.4	Confident	93.7	Very high	89 Å²	89	39 Å²	39	47%	0.466	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-81	141.4	165.2	-58	178.1	0	0	0	109.9	A439	A439-L447 HydrophobicContact CB-CD1 4.31Å
448	G	84.4	Confident	93.3	Very high	20 Å²	20	42 Å²	42	21%	0.206	21%	0.211	C	C	.	.			trans	175.2	-158.8	179.7	0	0	0	0	0	115.7	L472	G448-L472 VanDerWaalsContact C-CD1 3.44Å; G448-L472 WeakPolarHBondContact O-CD1 3.38Å; G448-L472 WeakPolarHBondContact O-CG 3.28Å; G448-L472 PolarHBondContact O-N 2.95Å
449	Y	89.6	Confident	92.6	Very high	127 Å²	127	43.6 Å²	43.6	50%	0.498	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	155.9	-179	-57.9	-97.3	0	0	0	108.6	A470 S471	Y449-A470 CarbonylContact C-O 3.44Å; Y449-A470 WeakPolarHBondContact CA-O 3.42Å; Y449-A470 WeakPolarHBondContact CB-O 3.1Å; Y449-S471 VanDerWaalsContact CD1-CA 3.47Å
450	Y	95	Very high	92	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	143.8	161.4	-78.5	-60.4	0	0	0	109.9	P191 Q196 V199 E302 V325 A326 S469 A470 L472	P191-Y450 HydrophobicContact CB-CE1 4.35Å; P191-Y450 HydrophobicContact CB-CE2 3.99Å; P191-Y450 WeakPolarHBondContact CB-OH 3.37Å; P191-Y450 HydrophobicContact CG-CE1 4Å; P191-Y450 HydrophobicContact CG-CE2 4.38Å; P191-Y450 PolarHBondContact O-OH 3.39Å; Q196-Y450 HydrophobicContact CB-CE2 3.94Å; V199-Y450 HydrophobicContact CG2-CD2 4.48Å; E302-Y450 HydrophobicContact CB-CE1 4.34Å; V325-Y450 HydrophobicContact CG1-CD1 3.61Å; V325-Y450 HydrophobicContact CG1-CD2 3.79Å; V325-Y450 HydrophobicContact CG1-CE1 4.19Å; V325-Y450 HydrophobicContact CG1-CE2 4.35Å; V325-Y450 HydrophobicContact CG1-CG 3.39Å; A326-Y450 WeakPolarHBondContact O-CD1 3.49Å; Y450-S469 CarbonylContact O-C 3.54Å; Y450-S469 VanDerWaalsContact O-CA 3.26Å; Y450-S469 WeakPolarHBondContact O-CA 3.47Å; Y450-A470 PolarHBondContact N-O 3.08Å; Y450-A470 PolarHBondContact O-N 2.69Å; Y450-L472 HydrophobicContact CD2-CD2 3.47Å; Y450-L472 VanDerWaalsContact CD2-CD2 3.47Å; Y450-L472 HydrophobicContact CE2-CD2 3.85Å; Y450-L472 HydrophobicContact CG-CD2 4.33Å
451	D	95.9	Very high	91.5	Very high	17 Å²	17	56 Å²	56	9%	0.091	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	145.4	166.3	-69.9	-18.1	0	0	0	108.6	A326 Q328 Q329 V466	A326-D451 HydrophobicContact CB-CB 4.5Å; A326-D451 PolarHBondContact N-O 3.48Å; A326-D451 PolarHBondContact O-N 2.88Å; Q328-D451 WeakPolarHBondContact CA-OD2 3.5Å; Q329-D451 PolarHBondContact N-OD2 3.32Å; D451-V466 HydrophobicContact CB-CG1 4.21Å
452	I	97.6	Very high	91.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.2	171.8	-48.7	-61.4	0	0	0	107.1	V199 L203 G324 V325 I467 G468 L477 I479	V199-I452 HydrophobicContact CG1-CD1 3.46Å; V199-I452 VanDerWaalsContact CG1-CD1 3.46Å; L203-I452 HydrophobicContact CD1-CG2 4.37Å; G324-I452 WeakPolarHBondContact O-CA 3.09Å; V325-I452 HydrophobicContact CG2-CD1 4.41Å; I452-I467 HydrophobicContact CB-CG1 4.17Å; I452-I467 HydrophobicContact CG2-CD1 3.93Å; I452-I467 HydrophobicContact CG2-CG1 3.88Å; I452-I467 WeakPolarHBondContact O-CG1 3.47Å; I452-I467 PolarHBondContact O-N 2.89Å; I452-G468 PolarHBondContact N-O 3.02Å; I452-G468 PolarHBondContact O-N 2.82Å; I452-L477 HydrophobicContact CD1-CD1 3.85Å; I452-L477 HydrophobicContact CG1-CD1 3.64Å; I452-I479 HydrophobicContact CB-CG2 4.11Å; I452-I479 HydrophobicContact CG1-CG2 4.08Å; I452-I479 HydrophobicContact CG2-CG2 4.05Å
453	I	97.3	Very high	91.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	156.9	-174	64.4	85.3	0	0	0	111.6	A305 I306 L323 G324 A326 F464 E465 V466	A305-I453 HydrophobicContact CB-CD1 4.24Å; A305-I453 HydrophobicContact CB-CG1 4.26Å; I306-I453 HydrophobicContact CG2-CD1 4.37Å; I306-I453 HydrophobicContact CG2-CG1 3.94Å; I306-I453 HydrophobicContact CG2-CG2 4.26Å; L323-I453 CarbonylContact C-O 3.49Å; L323-I453 VanDerWaalsContact CA-O 3.3Å; L323-I453 WeakPolarHBondContact CA-O 3.14Å; G324-I453 PolarHBondContact N-O 3.42Å; G324-I453 PolarHBondContact O-N 2.98Å; A326-I453 HydrophobicContact CB-CG1 4.21Å; A326-I453 HydrophobicContact CB-CG2 3.96Å; I453-F464 HydrophobicContact CB-CD2 4.07Å; I453-F464 HydrophobicContact CG2-CD2 3.84Å; I453-F464 HydrophobicContact CG2-CE2 4.15Å; I453-E465 CarbonylContact C-O 3.55Å; I453-E465 VanDerWaalsContact CA-O 3.23Å; I453-E465 WeakPolarHBondContact CA-O 3.36Å; I453-V466 HydrophobicContact CG2-CG2 4.18Å
454	A	96.9	Very high	91.3	Very high	5 Å²	5	48.9 Å²	48.9	4%	0.041	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.4	163.4	0	0	0	0	0	109.1	V322 L323 F464 E465 I467	V322-A454 WeakPolarHBondContact O-CA 3.47Å; L323-A454 HydrophobicContact CD2-CB 3.6Å; A454-F464 CarbonylContact O-C 3.51Å; A454-F464 VanDerWaalsContact O-CA 3.27Å; A454-F464 WeakPolarHBondContact O-CA 3.42Å; A454-F464 WeakPolarHBondContact O-CB 3.41Å; A454-E465 PolarHBondContact N-O 2.83Å; A454-E465 PolarHBondContact O-N 2.87Å; A454-I467 HydrophobicContact CB-CD1 4.34Å; A454-I467 HydrophobicContact CB-CG2 3.83Å
455	W	95.5	Very high	91.3	Very high	17 Å²	17	52.3 Å²	52.3	6%	0.064	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	140.3	171.5	-75.7	14.2	0	0	0	111	W304 A305 I310 P311 I316 V322 W457 W462	W304-W455 HydrophobicContact CE3-CZ2 4.41Å; W304-W455 HydrophobicContact CZ3-CZ2 4.09Å; A305-W455 PolarHBondContact O-NE1 3.26Å; I310-W455 HydrophobicContact CB-CH2 3.78Å; I310-W455 HydrophobicContact CB-CZ2 4.34Å; I310-W455 HydrophobicContact CG2-CH2 3.6Å; I310-W455 HydrophobicContact CG2-CZ2 4.48Å; I310-W455 HydrophobicContact CG2-CZ3 4.35Å; P311-W455 HydrophobicContact CG-CH2 3.77Å; P311-W455 HydrophobicContact CG-CZ2 4.01Å; P311-W455 HydrophobicContact CG-CZ3 4.37Å; I316-W455 HydrophobicContact CG1-CZ3 4.13Å; V322-W455 HydrophobicContact CB-CB 4.02Å; V322-W455 HydrophobicContact CB-CD2 3.64Å; V322-W455 HydrophobicContact CB-CE3 4.01Å; V322-W455 HydrophobicContact CB-CG 3.62Å; V322-W455 HydrophobicContact CG1-CD2 3.86Å; V322-W455 HydrophobicContact CG1-CE3 4.48Å; V322-W455 HydrophobicContact CG1-CG 3.98Å; V322-W455 HydrophobicContact CG1-CZ2 4.49Å; V322-W455 HydrophobicContact CG2-CD2 3.81Å; V322-W455 HydrophobicContact CG2-CE3 3.63Å; V322-W455 HydrophobicContact CG2-CG 4.27Å; V322-W455 HydrophobicContact CG2-CZ3 4.15Å; V322-W455 PolarHBondContact O-N 2.98Å; W455-W457 AromaticContact CE3-CZ2 3.74Å; W455-W457 HydrophobicContact CE3-CZ2 3.74Å; W455-W457 AromaticContact CE3-NE1 3.7Å; W455-W457 AromaticContact CZ3-CZ2 3.77Å; W455-W457 HydrophobicContact CZ3-CZ2 3.77Å; W455-W462 AromaticContact CD1-NE1 3.63Å; W455-W462 AromaticContact CD2-CD1 3.92Å; W455-W462 HydrophobicContact CD2-CZ2 4.48Å; W455-W462 AromaticContact CD2-NE1 3.12Å; W455-W462 AromaticContact CE2-CE2 3.87Å; W455-W462 AromaticContact CE2-CZ2 3.88Å; W455-W462 AromaticContact CE2-NE1 3.39Å; W455-W462 AromaticContact CE3-CD1 3.89Å; W455-W462 AromaticContact CE3-NE1 3.53Å; W455-W462 AromaticContact CG-NE1 3.28Å; W455-W462 VanDerWaalsContact CG-NE1 3.28Å; W455-W462 HydrophobicContact CZ2-CZ2 4.2Å; W455-W462 AromaticContact CZ2-NE1 3.97Å; W455-W462 AromaticContact NE1-CE2 4Å; W455-W462 AromaticContact NE1-CZ2 3.67Å; W455-W462 AromaticContact NE1-NE1 3.7Å
456	D	92.6	Very high	91.3	Very high	42 Å²	42	54.7 Å²	54.7	23%	0.225	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127	176.5	-173.6	9.6	0	0	0	110.8	N458 T463	D456-N458 VanDerWaalsContact OD1-CB 3.29Å; D456-N458 WeakPolarHBondContact OD1-CB 3.44Å; D456-N458 PolarHBondContact OD1-N 3.28Å; D456-N458 PolarHBondContact OD1-ND2 3.25Å; D456-T463 PolarHBondContact N-O 2.93Å; D456-T463 PolarHBondContact O-N 3.08Å; D456-T463 VanDerWaalsContact O-O 3.1Å; D456-T463 PolarHBondContact O-OG1 2.7Å
457	W	88.6	Confident	91.5	Very high	79 Å²	79	54.3 Å²	54.3	30%	0.299	29%	0.289	S	S	.	.			trans	-118.5	13.7	-179.2	-65.8	99.6	0	0	0	112.4	P311 I316 Q317 W455 G459 W462	P311-W457 HydrophobicContact CB-CH2 4.25Å; I316-W457 HydrophobicContact CG2-CH2 3.54Å; I316-W457 HydrophobicContact CG2-CZ2 3.74Å; Q317-W457 HydrophobicContact CB-CD2 4.17Å; Q317-W457 HydrophobicContact CB-CE3 4.24Å; Q317-W457 HydrophobicContact CB-CZ3 4.49Å; W455-W457 AromaticContact CE3-CZ2 3.74Å; W455-W457 HydrophobicContact CE3-CZ2 3.74Å; W455-W457 AromaticContact CE3-NE1 3.7Å; W455-W457 AromaticContact CZ3-CZ2 3.77Å; W455-W457 HydrophobicContact CZ3-CZ2 3.77Å; W457-G459 PolarHBondContact O-N 3.42Å; W457-W462 AromaticContact CE2-CD1 3.71Å; W457-W462 HydrophobicContact CE3-CB 4.1Å; W457-W462 HydrophobicContact CH2-CB 3.64Å; W457-W462 AromaticContact CH2-CD1 3.83Å; W457-W462 HydrophobicContact CH2-CG 4.01Å; W457-W462 HydrophobicContact CZ2-CB 4.21Å; W457-W462 AromaticContact CZ2-CD1 3.48Å; W457-W462 VanDerWaalsContact CZ2-CD1 3.48Å; W457-W462 HydrophobicContact CZ2-CG 4.12Å; W457-W462 HydrophobicContact CZ3-CB 3.59Å; W457-W462 HydrophobicContact CZ3-CG 4.36Å
458	N	85	Confident	91.9	Very high	130 Å²	130	50.8 Å²	50.8	70%	0.695	27%	0.274	S	S	*	.	S	Bend	trans	-69.4	-21.1	177.9	-68.9	-41	0	0	0	113	D456	D456-N458 VanDerWaalsContact OD1-CB 3.29Å; D456-N458 WeakPolarHBondContact OD1-CB 3.44Å; D456-N458 PolarHBondContact OD1-N 3.28Å; D456-N458 PolarHBondContact OD1-ND2 3.25Å
459	G	81.9	Confident	92.4	Very high	40 Å²	40	52 Å²	52	41%	0.412	28%	0.28	S	S	.	.	S	Bend	trans	-86.7	178.3	178.6	0	0	0	0	0	114.2	W457 E461	W457-G459 PolarHBondContact O-N 3.42Å; G459-E461 PolarHBondContact O-N 3.5Å
460	P	82.5	Confident	92.7	Very high	142 Å²	142	46 Å²	46	92%	0.922	26%	0.256	S	S	*	.	S	Bend	trans	-66.9	-24.6	173.5	29.7	-34.9	0	0	0	112.5
461	E	85.8	Confident	92.5	Very high	151 Å²	151	47.4 Å²	47.4	71%	0.706	27%	0.266	S	S	*	.	S	Bend	trans	-128.6	160.5	-177.6	-64	-176.9	174.3	0	0	109.9	G459 T463	G459-E461 PolarHBondContact O-N 3.5Å; E461-T463 PolarHBondContact O-N 3.34Å
462	W	91.3	Very high	92	Very high	40 Å²	40	46.8 Å²	46.8	15%	0.152	26%	0.263	C	S	.	.			trans	-62.9	133.6	174.3	170.1	77.1	0	0	0	111	T308 P311 W455 W457 F464	T308-W462 HydrophobicContact CG2-CZ3 4.15Å; P311-W462 HydrophobicContact CB-CB 3.76Å; P311-W462 HydrophobicContact CB-CD2 3.62Å; P311-W462 HydrophobicContact CB-CE3 3.91Å; P311-W462 HydrophobicContact CB-CG 3.56Å; P311-W462 HydrophobicContact CG-CB 4.36Å; P311-W462 HydrophobicContact CG-CD2 3.22Å; P311-W462 HydrophobicContact CG-CE3 3.54Å; P311-W462 HydrophobicContact CG-CG 3.62Å; P311-W462 HydrophobicContact CG-CH2 4.05Å; P311-W462 HydrophobicContact CG-CZ2 3.81Å; P311-W462 HydrophobicContact CG-CZ3 3.94Å; W455-W462 AromaticContact CD1-NE1 3.63Å; W455-W462 AromaticContact CD2-CD1 3.92Å; W455-W462 HydrophobicContact CD2-CZ2 4.48Å; W455-W462 AromaticContact CD2-NE1 3.12Å; W455-W462 AromaticContact CE2-CE2 3.87Å; W455-W462 AromaticContact CE2-CZ2 3.88Å; W455-W462 AromaticContact CE2-NE1 3.39Å; W455-W462 AromaticContact CE3-CD1 3.89Å; W455-W462 AromaticContact CE3-NE1 3.53Å; W455-W462 AromaticContact CG-NE1 3.28Å; W455-W462 VanDerWaalsContact CG-NE1 3.28Å; W455-W462 HydrophobicContact CZ2-CZ2 4.2Å; W455-W462 AromaticContact CZ2-NE1 3.97Å; W455-W462 AromaticContact NE1-CE2 4Å; W455-W462 AromaticContact NE1-CZ2 3.67Å; W455-W462 AromaticContact NE1-NE1 3.7Å; W457-W462 AromaticContact CE2-CD1 3.71Å; W457-W462 HydrophobicContact CE3-CB 4.1Å; W457-W462 HydrophobicContact CH2-CB 3.64Å; W457-W462 AromaticContact CH2-CD1 3.83Å; W457-W462 HydrophobicContact CH2-CG 4.01Å; W457-W462 HydrophobicContact CZ2-CB 4.21Å; W457-W462 AromaticContact CZ2-CD1 3.48Å; W457-W462 VanDerWaalsContact CZ2-CD1 3.48Å; W457-W462 HydrophobicContact CZ2-CG 4.12Å; W457-W462 HydrophobicContact CZ3-CB 3.59Å; W457-W462 HydrophobicContact CZ3-CG 4.36Å; W462-F464 AromaticContact CH2-CD1 3.65Å; W462-F464 HydrophobicContact CH2-CD1 3.65Å; W462-F464 HydrophobicContact CH2-CE1 4.14Å; W462-F464 HydrophobicContact CZ2-CB 4.28Å; W462-F464 AromaticContact CZ2-CD1 3.85Å; W462-F464 HydrophobicContact CZ2-CD1 3.85Å; W462-F464 HydrophobicContact CZ2-CG 4.45Å; W462-F464 HydrophobicContact CZ3-CD1 4.29Å
463	T	93.1	Very high	91.2	Very high	69 Å²	69	50.8 Å²	50.8	42%	0.423	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	178.1	167.6	60.2	0	0	0	0	109.4	D456 E461	D456-T463 PolarHBondContact N-O 2.93Å; D456-T463 PolarHBondContact O-N 3.08Å; D456-T463 VanDerWaalsContact O-O 3.1Å; D456-T463 PolarHBondContact O-OG1 2.7Å; E461-T463 PolarHBondContact O-N 3.34Å
464	F	94	Very high	90.6	Very high	42 Å²	42	56 Å²	56	18%	0.184	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	147.8	173.3	65.4	-88.2	0	0	0	110.1	I306 A381 I453 A454 W462	I306-F464 HydrophobicContact CB-CD1 4.35Å; I306-F464 HydrophobicContact CB-CE1 3.9Å; I306-F464 HydrophobicContact CB-CE2 4.13Å; I306-F464 HydrophobicContact CB-CZ 3.76Å; I306-F464 HydrophobicContact CD1-CZ 4.36Å; I306-F464 HydrophobicContact CG2-CD1 4.16Å; I306-F464 HydrophobicContact CG2-CD2 3.65Å; I306-F464 HydrophobicContact CG2-CE1 3.97Å; I306-F464 HydrophobicContact CG2-CE2 3.39Å; I306-F464 HydrophobicContact CG2-CG 4Å; I306-F464 HydrophobicContact CG2-CZ 3.57Å; A381-F464 HydrophobicContact CB-CE1 4.25Å; A381-F464 HydrophobicContact CB-CZ 3.99Å; I453-F464 HydrophobicContact CB-CD2 4.07Å; I453-F464 HydrophobicContact CG2-CD2 3.84Å; I453-F464 HydrophobicContact CG2-CE2 4.15Å; A454-F464 CarbonylContact O-C 3.51Å; A454-F464 VanDerWaalsContact O-CA 3.27Å; A454-F464 WeakPolarHBondContact O-CA 3.42Å; A454-F464 WeakPolarHBondContact O-CB 3.41Å; W462-F464 AromaticContact CH2-CD1 3.65Å; W462-F464 HydrophobicContact CH2-CD1 3.65Å; W462-F464 HydrophobicContact CH2-CE1 4.14Å; W462-F464 HydrophobicContact CZ2-CB 4.28Å; W462-F464 AromaticContact CZ2-CD1 3.85Å; W462-F464 HydrophobicContact CZ2-CD1 3.85Å; W462-F464 HydrophobicContact CZ2-CG 4.45Å; W462-F464 HydrophobicContact CZ3-CD1 4.29Å
465	E	94.4	Very high	90.3	Very high	72 Å²	72	56.6 Å²	56.6	34%	0.336	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.2	178.5	-167.1	-176.5	171.9	0	0	110.2	I453 A454 I467 K483	I453-E465 CarbonylContact C-O 3.55Å; I453-E465 VanDerWaalsContact CA-O 3.23Å; I453-E465 WeakPolarHBondContact CA-O 3.36Å; A454-E465 PolarHBondContact N-O 2.83Å; A454-E465 PolarHBondContact O-N 2.87Å; E465-I467 PolarHBondContact O-N 2.83Å; E465-K483 VanDerWaalsContact OE1-CD 3.22Å; E465-K483 WeakPolarHBondContact OE1-CD 3.33Å; E465-K483 VanDerWaalsContact OE1-CE 3.25Å; E465-K483 WeakPolarHBondContact OE1-CE 3.27Å; E465-K483 IonicContact OE1-NZ 3.7Å; E465-K483 PolarHBondContact OE1-NZ 3.01Å
466	V	96.2	Very high	90.2	Very high	52 Å²	52	61.5 Å²	61.5	32%	0.315	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	109.6	167.1	-177.8	0	0	0	0	108.7	D451 I453 G468	D451-V466 HydrophobicContact CB-CG1 4.21Å; I453-V466 HydrophobicContact CG2-CG2 4.18Å; V466-G468 WeakPolarHBondContact CG1-O 3.27Å
467	I	96.3	Very high	90.3	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.026	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-11	-177.5	61.9	166.5	0	0	0	112.8	L323 I452 A454 E465 N480 K483 I484	L323-I467 HydrophobicContact CD2-CD1 4.04Å; I452-I467 HydrophobicContact CB-CG1 4.17Å; I452-I467 HydrophobicContact CG2-CD1 3.93Å; I452-I467 HydrophobicContact CG2-CG1 3.88Å; I452-I467 WeakPolarHBondContact O-CG1 3.47Å; I452-I467 PolarHBondContact O-N 2.89Å; A454-I467 HydrophobicContact CB-CD1 4.34Å; A454-I467 HydrophobicContact CB-CG2 3.83Å; E465-I467 PolarHBondContact O-N 2.83Å; I467-N480 PolarHBondContact O-N 2.87Å; I467-K483 HydrophobicContact CB-CB 4.32Å; I467-K483 HydrophobicContact CG2-CB 3.73Å; I467-K483 HydrophobicContact CG2-CD 4.48Å; I467-I484 HydrophobicContact CD1-CD1 3.72Å; I467-I484 HydrophobicContact CD1-CG1 3.65Å; I467-I484 HydrophobicContact CG2-CG1 4.4Å
468	G	96	Very high	90.7	Very high	15 Å²	15	62.2 Å²	62.2	16%	0.155	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.6	-171.3	-177.4	0	0	0	0	0	112.7	I452 V466 D478	I452-G468 PolarHBondContact N-O 3.02Å; I452-G468 PolarHBondContact O-N 2.82Å; V466-G468 WeakPolarHBondContact CG1-O 3.27Å; G468-D478 CarbonylContact C-O 3.43Å; G468-D478 WeakPolarHBondContact CA-O 3.42Å
469	S	95.4	Very high	91.2	Very high	47 Å²	47	57.1 Å²	57.1	33%	0.329	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	162.9	177.1	66.2	0	0	0	0	111.6	Y450 D478	Y450-S469 CarbonylContact O-C 3.54Å; Y450-S469 VanDerWaalsContact O-CA 3.26Å; Y450-S469 WeakPolarHBondContact O-CA 3.47Å; S469-D478 PolarHBondContact N-O 2.82Å; S469-D478 PolarHBondContact O-N 2.83Å
470	A	94.6	Very high	91.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.9	173.7	0	0	0	0	0	111.8	V199 Y449 Y450 H476 L477	V199-A470 HydrophobicContact CB-CB 4.41Å; V199-A470 HydrophobicContact CG1-CB 4.04Å; V199-A470 HydrophobicContact CG2-CB 3.42Å; V199-A470 VanDerWaalsContact CG2-CB 3.42Å; Y449-A470 CarbonylContact C-O 3.44Å; Y449-A470 WeakPolarHBondContact CA-O 3.42Å; Y449-A470 WeakPolarHBondContact CB-O 3.1Å; Y450-A470 PolarHBondContact N-O 3.08Å; Y450-A470 PolarHBondContact O-N 2.69Å; A470-H476 CarbonylContact C-O 3.52Å; A470-H476 WeakPolarHBondContact CA-O 3.27Å; A470-L477 HydrophobicContact CB-CD1 4.1Å
471	S	91.7	Very high	92.3	Very high	29 Å²	29	56.8 Å²	56.8	20%	0.203	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	153.8	167.5	64.5	0	0	0	0	110.2	Y449 P474 V475 H476	Y449-S471 VanDerWaalsContact CD1-CA 3.47Å; S471-P474 PolarHBondContact OG-O 2.76Å; S471-V475 VanDerWaalsContact O-CA 3.22Å; S471-V475 WeakPolarHBondContact O-CA 3.33Å; S471-H476 PolarHBondContact N-O 2.83Å; S471-H476 WeakPolarHBondContact OG-CB 3.39Å; S471-H476 PolarHBondContact OG-N 2.97Å; S471-H476 VanDerWaalsContact OG-N 3.17Å
472	L	85.5	Confident	92.5	Very high	5 Å²	5	55 Å²	55	3%	0.026	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-27.3	-176.8	-54.7	176.4	0	0	0	113.7	P191 Y195 G448 Y450 P474 V475	P191-L472 HydrophobicContact CB-CD1 3.56Å; P191-L472 HydrophobicContact CG-CD1 3.83Å; Y195-L472 HydrophobicContact CD1-CB 3.94Å; Y195-L472 WeakPolarHBondContact CD1-O 3.4Å; Y195-L472 HydrophobicContact CD2-CB 4.3Å; Y195-L472 HydrophobicContact CD2-CD1 4.41Å; Y195-L472 HydrophobicContact CE1-CB 4.27Å; Y195-L472 WeakPolarHBondContact CE1-O 3.39Å; Y195-L472 HydrophobicContact CG-CB 3.96Å; Y195-L472 HydrophobicContact CG-CD2 4.03Å; Y195-L472 HydrophobicContact CG-CG 4.39Å; G448-L472 VanDerWaalsContact C-CD1 3.44Å; G448-L472 WeakPolarHBondContact O-CD1 3.38Å; G448-L472 WeakPolarHBondContact O-CG 3.28Å; G448-L472 PolarHBondContact O-N 2.95Å; Y450-L472 HydrophobicContact CD2-CD2 3.47Å; Y450-L472 VanDerWaalsContact CD2-CD2 3.47Å; Y450-L472 HydrophobicContact CE2-CD2 3.85Å; Y450-L472 HydrophobicContact CG-CD2 4.33Å; L472-P474 CarbonylContact C-O 3.55Å; L472-P474 CarbonylContact O-C 3.57Å; L472-V475 WeakPolarHBondContact O-CG2 3.5Å
473	S	79.9	Confident	92.5	Very high	84 Å²	84	56.7 Å²	56.7	59%	0.587	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.4	90.8	-173.5	-68	0	0	0	0	112.6
474	P	86.5	Confident	92.5	Very high	110 Å²	110	53.5 Å²	53.5	71%	0.714	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	cis	-75.5	168	-5.3	33.4	-35.7	0	0	0	112.4	S471 L472 H476	S471-P474 PolarHBondContact OG-O 2.76Å; L472-P474 CarbonylContact C-O 3.55Å; L472-P474 CarbonylContact O-C 3.57Å; P474-H476 PolarHBondContact O-N 2.88Å
475	V	89.3	Confident	92.2	Very high	18 Å²	18	56.4 Å²	56.4	11%	0.109	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	110.8	175.1	-174.2	0	0	0	0	111.1	Y195 E198 V199 R202 S471 L472	Y195-V475 HydrophobicContact CD1-CG2 3.87Å; E198-V475 HydrophobicContact CB-CG1 4.43Å; E198-V475 HydrophobicContact CB-CG2 4.17Å; E198-V475 HydrophobicContact CG-CB 3.6Å; E198-V475 HydrophobicContact CG-CG1 3.72Å; E198-V475 HydrophobicContact CG-CG2 3.66Å; V199-V475 HydrophobicContact CG2-CG1 3.72Å; R202-V475 PolarHBondContact NE-O 3.39Å; R202-V475 PolarHBondContact NH1-O 2.87Å; S471-V475 VanDerWaalsContact O-CA 3.22Å; S471-V475 WeakPolarHBondContact O-CA 3.33Å; L472-V475 WeakPolarHBondContact O-CG2 3.5Å
476	H	93.8	Very high	92.1	Very high	120 Å²	120	53.9 Å²	53.9	56%	0.556	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.1	173.4	-175.8	74.2	0	0	0	108.7	A470 S471 P474	A470-H476 CarbonylContact C-O 3.52Å; A470-H476 WeakPolarHBondContact CA-O 3.27Å; S471-H476 PolarHBondContact N-O 2.83Å; S471-H476 WeakPolarHBondContact OG-CB 3.39Å; S471-H476 PolarHBondContact OG-N 2.97Å; S471-H476 VanDerWaalsContact OG-N 3.17Å; P474-H476 PolarHBondContact O-N 2.88Å
477	L	95.6	Very high	91.6	Very high	28 Å²	28	56.1 Å²	56.1	15%	0.147	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.9	-178.7	176.6	68.4	0	0	0	108.9	V199 R202 L203 I452 A470 I479	V199-L477 HydrophobicContact CG1-CD1 4.36Å; R202-L477 HydrophobicContact CB-CB 4.23Å; R202-L477 HydrophobicContact CB-CD2 3.85Å; L203-L477 HydrophobicContact CB-CD2 4.1Å; L203-L477 HydrophobicContact CD1-CD2 4.25Å; I452-L477 HydrophobicContact CD1-CD1 3.85Å; I452-L477 HydrophobicContact CG1-CD1 3.64Å; A470-L477 HydrophobicContact CB-CD1 4.1Å; L477-I479 HydrophobicContact CD1-CG2 3.75Å; L477-I479 HydrophobicContact CG-CG2 4.06Å
478	D	95.4	Very high	90.7	Very high	107 Å²	107	57.9 Å²	57.9	57%	0.572	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.9	172.5	-176.4	21.3	0	0	0	109.5	G468 S469	G468-D478 CarbonylContact C-O 3.43Å; G468-D478 WeakPolarHBondContact CA-O 3.42Å; S469-D478 PolarHBondContact N-O 2.82Å; S469-D478 PolarHBondContact O-N 2.83Å
479	I	95.3	Very high	89.5	Confident	23 Å²	23	67.4 Å²	67.4	12%	0.118	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.6	-176.5	56.4	169.6	0	0	0	111	L203 F207 I452 L477 K481	L203-I479 HydrophobicContact CD1-CD1 3.85Å; F207-I479 HydrophobicContact CE2-CD1 3.86Å; F207-I479 HydrophobicContact CZ-CD1 3.82Å; I452-I479 HydrophobicContact CB-CG2 4.11Å; I452-I479 HydrophobicContact CG1-CG2 4.08Å; I452-I479 HydrophobicContact CG2-CG2 4.05Å; L477-I479 HydrophobicContact CD1-CG2 3.75Å; L477-I479 HydrophobicContact CG-CG2 4.06Å; I479-K481 HydrophobicContact CD1-CG 4.14Å; I479-K481 HydrophobicContact CG1-CG 4.29Å; I479-K481 PolarHBondContact O-N 3.19Å
480	N	95.4	Very high	88.8	Confident	74 Å²	74	70.8 Å²	70.8	40%	0.396	38%	0.377	S	S	.	.			trans	-86.3	93.4	169.4	-173.9	-8.5	0	0	0	110	I467 T482 K483	I467-N480 PolarHBondContact O-N 2.87Å; N480-T482 PolarHBondContact O-N 3.05Å; N480-T482 WeakPolarHBondContact OD1-CB 3.42Å; N480-T482 PolarHBondContact OD1-N 2.91Å; N480-T482 VanDerWaalsContact OD1-N 3.14Å; N480-T482 PolarHBondContact OD1-OG1 3.5Å; N480-K483 HydrophobicContact CB-CD 4.19Å; N480-K483 HydrophobicContact CB-CG 4.38Å; N480-K483 PolarHBondContact O-N 3.48Å
481	K	91.9	Very high	88.4	Confident	101 Å²	101	74 Å²	74	44%	0.439	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-58.4	-21.5	-179.1	-62.7	179.4	176.3	179.2	0	114.1	S206 F207 I479 K483 I484	S206-K481 PolarHBondContact O-NZ 2.84Å; F207-K481 HydrophobicContact CE1-CD 3.88Å; F207-K481 HydrophobicContact CE1-CG 3.93Å; F207-K481 HydrophobicContact CZ-CD 4.43Å; F207-K481 HydrophobicContact CZ-CG 4.09Å; I479-K481 HydrophobicContact CD1-CG 4.14Å; I479-K481 HydrophobicContact CG1-CG 4.29Å; I479-K481 PolarHBondContact O-N 3.19Å; K481-K483 VanDerWaalsContact C-N 3.25Å; K481-K483 PolarHBondContact O-N 3.39Å; K481-I484 PolarHBondContact O-N 3.19Å
482	T	90.4	Very high	88.3	Confident	114 Å²	114	79 Å²	79	70%	0.699	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-72.1	-18.9	-179	67.1	0	0	0	0	113.6	N480 I484	N480-T482 PolarHBondContact O-N 3.05Å; N480-T482 WeakPolarHBondContact OD1-CB 3.42Å; N480-T482 PolarHBondContact OD1-N 2.91Å; N480-T482 VanDerWaalsContact OD1-N 3.14Å; N480-T482 PolarHBondContact OD1-OG1 3.5Å; T482-I484 VanDerWaalsContact C-N 3.31Å
483	K	91.3	Very high	88.6	Confident	76 Å²	76	81.7 Å²	81.7	33%	0.33	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-80.5	-11.9	176.6	-66.5	179.1	159.8	-136.1	0	113.4	E465 I467 N480 K481	E465-K483 VanDerWaalsContact OE1-CD 3.22Å; E465-K483 WeakPolarHBondContact OE1-CD 3.33Å; E465-K483 VanDerWaalsContact OE1-CE 3.25Å; E465-K483 WeakPolarHBondContact OE1-CE 3.27Å; E465-K483 IonicContact OE1-NZ 3.7Å; E465-K483 PolarHBondContact OE1-NZ 3.01Å; I467-K483 HydrophobicContact CB-CB 4.32Å; I467-K483 HydrophobicContact CG2-CB 3.73Å; I467-K483 HydrophobicContact CG2-CD 4.48Å; N480-K483 HydrophobicContact CB-CD 4.19Å; N480-K483 HydrophobicContact CB-CG 4.38Å; N480-K483 PolarHBondContact O-N 3.48Å; K481-K483 VanDerWaalsContact C-N 3.25Å; K481-K483 PolarHBondContact O-N 3.39Å
484	I	92.8	Very high	89.3	Confident	2 Å²	2	79.3 Å²	79.3	1%	0.01	41%	0.413	C	S	.	.			trans	-83.8	124.4	-176	-53.5	172.4	0	0	0	109.8	F207 T321 L323 I467 K481 T482 W486 N491	F207-I484 HydrophobicContact CE1-CD1 4.21Å; F207-I484 HydrophobicContact CE2-CD1 4.4Å; F207-I484 HydrophobicContact CZ-CD1 3.51Å; T321-I484 HydrophobicContact CG2-CG2 4.28Å; L323-I484 HydrophobicContact CD1-CD1 4.43Å; L323-I484 HydrophobicContact CD2-CD1 4.27Å; L323-I484 HydrophobicContact CD2-CG1 4.33Å; L323-I484 HydrophobicContact CD2-CG2 3.92Å; I467-I484 HydrophobicContact CD1-CD1 3.72Å; I467-I484 HydrophobicContact CD1-CG1 3.65Å; I467-I484 HydrophobicContact CG2-CG1 4.4Å; K481-I484 PolarHBondContact O-N 3.19Å; T482-I484 VanDerWaalsContact C-N 3.31Å; I484-W486 HydrophobicContact CB-CZ2 4.12Å; I484-W486 HydrophobicContact CD1-CH2 4.37Å; I484-W486 HydrophobicContact CD1-CZ2 3.89Å; I484-W486 HydrophobicContact CG2-CD2 3.83Å; I484-W486 VanDerWaalsContact CG2-CE2 3.5Å; I484-W486 HydrophobicContact CG2-CE3 4.15Å; I484-W486 HydrophobicContact CG2-CG 4.44Å; I484-W486 HydrophobicContact CG2-CH2 3.94Å; I484-W486 HydrophobicContact CG2-CZ2 3.58Å; I484-W486 HydrophobicContact CG2-CZ3 4.2Å; I484-N491 PolarHBondContact O-OD1 2.96Å
485	Q	89.5	Confident	89.5	Confident	103 Å²	103	79 Å²	79	48%	0.481	41%	0.409	S	S	.	.			trans	-95.9	107.5	171.5	-57.1	-59.5	-25.3	0	0	110.3	T321 N491	T321-Q485 PolarHBondContact OG1-O 3.27Å; Q485-N491 PolarHBondContact OE1-ND2 3.44Å; Q485-N491 VanDerWaalsContact OE1-ND2 3.09Å
486	W	92.1	Very high	89.8	Confident	18 Å²	18	78.3 Å²	78.3	7%	0.068	41%	0.405	C	S	.	.			trans	-83.5	133.1	178.5	-56.8	101.3	0	0	0	110.8	F207 W209 V297 T321 L323 I484 G488 N491 Q492 V493 P494	F207-W486 HydrophobicContact CD1-CH2 4.37Å; F207-W486 HydrophobicContact CD1-CZ2 4.17Å; F207-W486 HydrophobicContact CE1-CH2 4.07Å; F207-W486 AromaticContact CE1-CZ2 3.63Å; F207-W486 HydrophobicContact CE1-CZ2 3.63Å; F207-W486 HydrophobicContact CE2-CH2 4.45Å; F207-W486 HydrophobicContact CZ-CH2 4.12Å; F207-W486 AromaticContact CZ-CZ2 3.96Å; F207-W486 HydrophobicContact CZ-CZ2 3.96Å; W209-W486 AromaticContact CH2-CH2 3.59Å; W209-W486 HydrophobicContact CH2-CH2 3.59Å; W209-W486 AromaticContact CH2-CZ3 3.87Å; W209-W486 HydrophobicContact CH2-CZ3 3.87Å; W209-W486 AromaticContact CZ2-CH2 3.65Å; W209-W486 HydrophobicContact CZ2-CH2 3.65Å; W209-W486 AromaticContact CZ2-CZ3 3.83Å; W209-W486 HydrophobicContact CZ2-CZ3 3.83Å; V297-W486 HydrophobicContact CG1-CZ3 4.1Å; V297-W486 HydrophobicContact CG2-CE3 4.21Å; V297-W486 HydrophobicContact CG2-CZ3 3.89Å; T321-W486 HydrophobicContact CG2-CE3 3.92Å; T321-W486 HydrophobicContact CG2-CZ3 4.1Å; T321-W486 WeakPolarHBondContact OG1-CA 3.18Å; L323-W486 HydrophobicContact CD1-CH2 3.89Å; L323-W486 HydrophobicContact CD1-CZ3 4.28Å; I484-W486 HydrophobicContact CB-CZ2 4.12Å; I484-W486 HydrophobicContact CD1-CH2 4.37Å; I484-W486 HydrophobicContact CD1-CZ2 3.89Å; I484-W486 HydrophobicContact CG2-CD2 3.83Å; I484-W486 VanDerWaalsContact CG2-CE2 3.5Å; I484-W486 HydrophobicContact CG2-CE3 4.15Å; I484-W486 HydrophobicContact CG2-CG 4.44Å; I484-W486 HydrophobicContact CG2-CH2 3.94Å; I484-W486 HydrophobicContact CG2-CZ2 3.58Å; I484-W486 HydrophobicContact CG2-CZ3 4.2Å; W486-G488 PolarHBondContact O-N 3.32Å; W486-N491 PolarHBondContact N-OD1 3.41Å; W486-Q492 WeakPolarHBondContact CB-O 3.19Å; W486-V493 HydrophobicContact CH2-CG1 4.44Å; W486-V493 HydrophobicContact CZ2-CB 4.39Å; W486-V493 HydrophobicContact CZ2-CG1 4.2Å; W486-V493 HydrophobicContact CZ2-CG2 3.91Å; W486-P494 HydrophobicContact CE3-CG 4Å
487	H	84.3	Confident	89.7	Confident	100 Å²	100	75.2 Å²	75.2	46%	0.463	40%	0.395	S	S	.	.	S	Bend	trans	-62.8	-5.7	-178	-166.1	87.2	0	0	0	114.9	T321	T321-H487 PolarHBondContact OG1-N 3.45Å
488	G	77.4	Confident	89.4	Confident	42 Å²	42	76 Å²	76	43%	0.433	40%	0.402	S	S	.	.	S	Bend	trans	-82.6	160.4	-178.3	0	0	0	0	0	114.3	W486 N490 N491	W486-G488 PolarHBondContact O-N 3.32Å; G488-N490 PolarHBondContact O-N 2.81Å; G488-N491 PolarHBondContact O-N 3.2Å; G488-N491 VanDerWaalsContact O-N 3.14Å
489	K	71.9	Confident	89	Confident	215 Å²	215	73.6 Å²	73.6	94%	0.935	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-29.4	-174.3	-71.4	-173.1	177	-176.8	0	115.9
490	N	80.9	Confident	88.5	Confident	117 Å²	117	82.7 Å²	82.7	63%	0.626	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	15	-172.5	-65.1	-6.7	0	0	0	113.4	G488 Q492	G488-N490 PolarHBondContact O-N 2.81Å; N490-Q492 HydrophobicContact CB-CG 3.92Å; N490-Q492 PolarHBondContact O-N 3.05Å; N490-Q492 VanDerWaalsContact O-N 3.12Å
491	N	86	Confident	87.9	Confident	68 Å²	68	85 Å²	85	36%	0.364	44%	0.436	S	S	.	.			trans	50.5	36.6	-173.4	-163.9	21.4	0	0	0	113	I484 Q485 W486 G488	I484-N491 PolarHBondContact O-OD1 2.96Å; Q485-N491 PolarHBondContact OE1-ND2 3.44Å; Q485-N491 VanDerWaalsContact OE1-ND2 3.09Å; W486-N491 PolarHBondContact N-OD1 3.41Å; G488-N491 PolarHBondContact O-N 3.2Å; G488-N491 VanDerWaalsContact O-N 3.14Å
492	Q	89.8	Confident	87.6	Confident	134 Å²	134	81.6 Å²	81.6	63%	0.626	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-96.5	145.6	-179.5	-74	-178.2	-9.9	0	0	110.6	W486 N490 P494	W486-Q492 WeakPolarHBondContact CB-O 3.19Å; N490-Q492 HydrophobicContact CB-CG 3.92Å; N490-Q492 PolarHBondContact O-N 3.05Å; N490-Q492 VanDerWaalsContact O-N 3.12Å; Q492-P494 VanDerWaalsContact O-CD 3.28Å; Q492-P494 WeakPolarHBondContact O-CD 3.34Å
493	V	91.8	Very high	87.4	Confident	62 Å²	62	82.4 Å²	82.4	38%	0.376	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-56.3	120.3	174	-177	0	0	0	0	109	F207 W209 W486	F207-V493 HydrophobicContact CB-CG1 4.21Å; F207-V493 HydrophobicContact CD1-CG1 3.64Å; F207-V493 HydrophobicContact CD1-CG2 4.13Å; F207-V493 HydrophobicContact CE1-CG1 4.45Å; F207-V493 HydrophobicContact CE1-CG2 4.28Å; F207-V493 HydrophobicContact CG-CG1 4.25Å; W209-V493 HydrophobicContact CZ2-CG1 4.07Å; W486-V493 HydrophobicContact CH2-CG1 4.44Å; W486-V493 HydrophobicContact CZ2-CB 4.39Å; W486-V493 HydrophobicContact CZ2-CG1 4.2Å; W486-V493 HydrophobicContact CZ2-CG2 3.91Å
494	P	93.1	Very high	87.1	Confident	33 Å²	33	86.5 Å²	86.5	21%	0.214	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-64.9	143.3	178.2	-22.6	34.6	0	0	0	111.4	W209 T270 V297 W486 Q492	W209-P494 PolarHBondContact NE1-O 3.49Å; T270-P494 HydrophobicContact CG2-CB 3.57Å; V297-P494 HydrophobicContact CG2-CB 4.26Å; V297-P494 HydrophobicContact CG2-CG 3.76Å; W486-P494 HydrophobicContact CE3-CG 4Å; Q492-P494 VanDerWaalsContact O-CD 3.28Å; Q492-P494 WeakPolarHBondContact O-CD 3.34Å
495	V	92.2	Very high	86.8	Confident	104 Å²	104	86.5 Å²	86.5	63%	0.63	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-87.5	135.4	176.4	-177.2	0	0	0	0	109.5	T270 V497	T270-V495 PolarHBondContact OG1-O 2.94Å; V495-V497 HydrophobicContact CG1-CB 4.38Å; V495-V497 HydrophobicContact CG1-CG1 3.82Å; V495-V497 HydrophobicContact CG1-CG2 3.83Å
496	S	94.9	Very high	86.8	Confident	3 Å²	3	84 Å²	84	2%	0.021	43%	0.433	C	S	.	.			trans	-134.2	79.9	175	-150.6	0	0	0	0	109.8	V210 W211 T270 V271	V210-S496 PolarHBondContact N-O 2.92Å; V210-S496 VanDerWaalsContact N-O 3.16Å; W211-S496 PolarHBondContact N-O 3.21Å; W211-S496 WeakPolarHBondContact O-CB 3.47Å; W211-S496 PolarHBondContact O-OG 2.94Å; T270-S496 PolarHBondContact N-OG 3.22Å; T270-S496 VanDerWaalsContact N-OG 3.16Å; V271-S496 PolarHBondContact N-OG 3.11Å
497	V	92.2	Very high	86.7	Confident	56 Å²	56	85.1 Å²	85.1	34%	0.339	44%	0.439	S	S	.	.			trans	-127.8	147.2	178.8	-53.9	0	0	0	0	109.5	V210 V495	V210-V497 HydrophobicContact CG2-CB 4.19Å; V210-V497 HydrophobicContact CG2-CG1 3.96Å; V495-V497 HydrophobicContact CG1-CB 4.38Å; V495-V497 HydrophobicContact CG1-CG1 3.82Å; V495-V497 HydrophobicContact CG1-CG2 3.83Å
498	C	88.5	Confident	86.9	Confident	45 Å²	45	82.8 Å²	82.8	30%	0.304	43%	0.426	S	S	.	.	S	Bend	trans	-80.4	-43.1	175.5	47.6	0	0	0	0	112.7	W211 C517	W211-C498 HydrophobicContact CB-CB 4.37Å; W211-C498 HydrophobicContact CD2-CB 3.62Å; W211-C498 HydrophobicContact CE3-CB 3.7Å; W211-C498 HydrophobicContact CG-CB 3.94Å; W211-C498 HydrophobicContact CZ2-CB 4.46Å; W211-C498 HydrophobicContact CZ3-CB 4.2Å; C498-C517 HydrophobicContact CB-CB 4.02Å; C498-C517 WeakPolarHBondContact CB-SG 3.35Å; C498-C517 WeakPolarHBondContact SG-CA 3.4Å; C498-C517 WeakPolarHBondContact SG-CB 3.42Å; C498-C517 CovalentContact SG-SG 2.03Å; C498-C517 PolarHBondContact SG-SG 2.88Å
499	T	86.5	Confident	87.3	Confident	55 Å²	55	84.8 Å²	84.8	34%	0.337	43%	0.427	S	S	.	.	S	Bend	trans	-124.9	147.7	172	-44.1	0	0	0	0	109.6	F518	T499-F518 VanDerWaalsContact CB-O 3.3Å; T499-F518 WeakPolarHBondContact CB-O 3.39Å; T499-F518 HydrophobicContact CG2-CE2 4.5Å; T499-F518 WeakPolarHBondContact CG2-O 3.36Å; T499-F518 PolarHBondContact OG1-O 3.47Å
500	R	84.9	Confident	87.8	Confident	215 Å²	215	77.6 Å²	77.6	81%	0.811	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-74.5	160.1	171.4	-65.2	-177.7	178.6	-177.5	-0.9	109.9	F518	R500-F518 WeakPolarHBondContact O-CE2 3.31Å
501	D	84.3	Confident	87.2	Confident	123 Å²	123	76.6 Å²	76.6	66%	0.658	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-59.7	145.7	172.2	-99.3	-7.3	0	0	0	111.7	R508	D501-R508 IonicContact OD1-CZ 2.63Å; D501-R508 IonicContact OD1-NH1 3.47Å; D501-R508 IonicContact OD1-NH2 3.72Å; D501-R508 PolarHBondContact OD1-NH2 3.22Å; D501-R508 IonicContact OD2-NH2 3.96Å
502	C	85.7	Confident	86.6	Confident	28 Å²	28	77 Å²	77	19%	0.189	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-73	150.9	-179.5	-59.1	0	0	0	0	111.9	H506 C520	C502-H506 HydrophobicContact CB-CB 4.1Å; C502-C520 WeakPolarHBondContact CA-SG 3.43Å; C502-C520 HydrophobicContact CB-CB 3.71Å; C502-C520 WeakPolarHBondContact CB-SG 3.21Å; C502-C520 VanDerWaalsContact SG-CA 3.5Å; C502-C520 WeakPolarHBondContact SG-CB 3.26Å; C502-C520 CovalentContact SG-SG 2.04Å; C502-C520 PolarHBondContact SG-SG 2.87Å
503	L	86.1	Confident	85.9	Confident	132 Å²	132	75.7 Å²	75.7	69%	0.691	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-65.9	159.7	168.7	-62.3	173.8	0	0	0	110.1	H506	L503-H506 WeakPolarHBondContact O-CB 3.47Å; L503-H506 PolarHBondContact O-N 3.2Å
504	E	84.6	Confident	85.3	Confident	161 Å²	161	75.9 Å²	75.9	75%	0.752	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	145.2	173.6	-65.3	-174.1	178.8	0	0	111.2	H506	E504-H506 PolarHBondContact O-N 2.81Å; E504-H506 PolarHBondContact O-ND1 2.86Å; E504-H506 VanDerWaalsContact O-ND1 3.09Å
505	G	86.1	Confident	84.8	Confident	2 Å²	2	78.2 Å²	78.2	2%	0.021	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	7.6	-176.6	0	0	0	0	0	115.5	C523 S550	G505-C523 PolarHBondContact O-N 3.49Å; G505-S550 WeakPolarHBondContact CA-O 3.39Å
506	H	90.1	Very high	84.4	Confident	50 Å²	50	74.2 Å²	74.2	23%	0.231	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.8	174.9	-63.9	61.1	0	0	0	110.8	C502 L503 E504 C520 M521 L529	C502-H506 HydrophobicContact CB-CB 4.1Å; L503-H506 WeakPolarHBondContact O-CB 3.47Å; L503-H506 PolarHBondContact O-N 3.2Å; E504-H506 PolarHBondContact O-N 2.81Å; E504-H506 PolarHBondContact O-ND1 2.86Å; E504-H506 VanDerWaalsContact O-ND1 3.09Å; H506-C520 HydrophobicContact CB-CB 4.3Å; H506-M521 CarbonylContact C-O 3.44Å; H506-M521 WeakPolarHBondContact CA-O 3.32Å; H506-L529 VanDerWaalsContact O-CD2 3.3Å; H506-L529 WeakPolarHBondContact O-CD2 3.38Å
507	H	88.6	Confident	84.1	Confident	43 Å²	43	74.7 Å²	74.7	20%	0.199	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	156.4	174.6	74.4	-27.5	0	0	0	112	M521 L529 H535	H507-M521 WeakPolarHBondContact CE1-CB 3.21Å; H507-M521 PolarHBondContact N-O 3.22Å; H507-M521 WeakPolarHBondContact ND1-CB 3.33Å; H507-M521 PolarHBondContact ND1-O 2.87Å; H507-M521 PolarHBondContact O-N 3.06Å; H507-L529 HydrophobicContact CB-CD1 3.8Å; H507-L529 HydrophobicContact CB-CD2 4.45Å; H507-H535 PolarHBondContact CD2-O 3.39Å; H507-H535 VanDerWaalsContact CD2-O 3.23Å
508	R	88.2	Confident	83.9	Confident	51 Å²	51	72.9 Å²	72.9	19%	0.192	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	113.9	-179.2	-62	179.7	-171.3	-160.3	-3	110.6	D501 F518 L534 H535	D501-R508 IonicContact OD1-CZ 2.63Å; D501-R508 IonicContact OD1-NH1 3.47Å; D501-R508 IonicContact OD1-NH2 3.72Å; D501-R508 PolarHBondContact OD1-NH2 3.22Å; D501-R508 IonicContact OD2-NH2 3.96Å; R508-F518 HydrophobicContact CB-CB 3.93Å; R508-F518 HydrophobicContact CB-CD1 4.41Å; R508-F518 HydrophobicContact CB-CD2 3.89Å; R508-F518 HydrophobicContact CB-CG 3.81Å; R508-F518 HydrophobicContact CG-CD1 4.38Å; R508-F518 HydrophobicContact CG-CD2 3.61Å; R508-F518 HydrophobicContact CG-CE2 3.8Å; R508-F518 HydrophobicContact CG-CG 3.93Å; R508-F518 HydrophobicContact CG-CZ 4.27Å; R508-L534 PolarHBondContact N-O 3.46Å; R508-H535 PolarHBondContact O-ND1 3.16Å
509	L	86.8	Confident	83.8	Confident	84 Å²	84	75.3 Å²	75.3	44%	0.44	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	111.8	171.4	-175.2	65.2	0	0	0	109.8	M511 F518 E519 M521	L509-M511 PolarHBondContact O-N 3.37Å; L509-F518 CarbonylContact O-C 3.56Å; L509-F518 WeakPolarHBondContact O-CA 3.27Å; L509-F518 VanDerWaalsContact O-CB 3.32Å; L509-F518 WeakPolarHBondContact O-CB 3.31Å; L509-E519 PolarHBondContact N-O 3.41Å; L509-E519 PolarHBondContact O-N 3.32Å; L509-M521 HydrophobicContact CB-CG 4.28Å; L509-M521 HydrophobicContact CD2-CG 4.31Å
510	V	83.4	Confident	84	Confident	63 Å²	63	74.6 Å²	74.6	38%	0.382	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	127.7	-180	175.8	0	0	0	0	110.2
511	M	67.9	Low	84.2	Confident	97 Å²	97	68 Å²	68	48%	0.478	37%	0.373	S	S	.	.			trans	-104.8	120.8	-177.1	-68.8	-64.7	-84.9	0	0	111.1	L509 C517 E519	L509-M511 PolarHBondContact O-N 3.37Å; M511-C517 PolarHBondContact N-O 3.04Å; M511-C517 VanDerWaalsContact N-O 3.15Å; M511-E519 HydrophobicContact CG-CB 3.96Å; M511-E519 HydrophobicContact SD-CB 4.5Å
512	G	72.7	Confident	84.5	Confident	76 Å²	76	64.1 Å²	64.1	78%	0.784	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	-143.5	175.8	0	0	0	0	0	113.6
513	S	74.9	Confident	84.8	Confident	106 Å²	106	62.8 Å²	62.8	74%	0.741	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-9.6	-175	54.3	0	0	0	0	114.6	H515	S513-H515 PolarHBondContact O-N 3.23Å
514	H	80	Confident	85	Confident	67 Å²	67	63.6 Å²	63.6	31%	0.31	35%	0.346	S	S	.	.			trans	-97.2	93.2	-175.3	-65.6	-61.2	0	0	0	110.5	W211 C239 V240 C516 C517	W211-H514 HydrophobicContact CZ3-CB 4.41Å; C239-H514 HydrophobicContact CB-CB 4.27Å; V240-H514 PolarHBondContact O-CE1 3Å; V240-H514 VanDerWaalsContact O-CE1 3.31Å; H514-C516 PolarHBondContact O-N 3.16Å; H514-C516 VanDerWaalsContact O-N 3.1Å; H514-C517 HydrophobicContact CB-CB 4.21Å; H514-C517 PolarHBondContact O-N 3.19Å
515	H	82.6	Confident	85.1	Confident	82 Å²	82	59 Å²	59	38%	0.38	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.9	-175.7	65.1	-82.8	0	0	0	115.2	T234 G237 S513 C517	T234-H515 PolarHBondContact O-CE1 3.27Å; T234-H515 PolarHBondContact O-NE2 3.26Å; G237-H515 WeakPolarHBondContact CA-NE2 3.49Å; S513-H515 PolarHBondContact O-N 3.23Å; H515-C517 VanDerWaalsContact C-N 3.29Å
516	C	84.2	Confident	85.2	Confident	19 Å²	19	59.8 Å²	59.8	13%	0.128	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-11.2	176	72.3	0	0	0	0	113.3	G237 C239 H514 F518	G237-C516 WeakPolarHBondContact O-CB 3.31Å; C239-C516 HydrophobicContact CB-CB 4.37Å; C239-C516 WeakPolarHBondContact CB-SG 3.44Å; C239-C516 WeakPolarHBondContact SG-CB 3.31Å; C239-C516 PolarHBondContact SG-N 3.15Å; C239-C516 CovalentContact SG-SG 2.02Å; C239-C516 PolarHBondContact SG-SG 3.48Å; H514-C516 PolarHBondContact O-N 3.16Å; H514-C516 VanDerWaalsContact O-N 3.1Å; C516-F518 WeakPolarHBondContact O-CD1 3.31Å
517	C	87.3	Confident	85.2	Confident	14 Å²	14	58.8 Å²	58.8	10%	0.095	34%	0.341	C	S	.	.			trans	-106.8	127.2	-178.9	-53.6	0	0	0	0	110	W211 C498 M511 H514 H515	W211-C517 WeakPolarHBondContact CZ3-SG 3.03Å; C498-C517 HydrophobicContact CB-CB 4.02Å; C498-C517 WeakPolarHBondContact CB-SG 3.35Å; C498-C517 WeakPolarHBondContact SG-CA 3.4Å; C498-C517 WeakPolarHBondContact SG-CB 3.42Å; C498-C517 CovalentContact SG-SG 2.03Å; C498-C517 PolarHBondContact SG-SG 2.88Å; M511-C517 PolarHBondContact N-O 3.04Å; M511-C517 VanDerWaalsContact N-O 3.15Å; H514-C517 HydrophobicContact CB-CB 4.21Å; H514-C517 PolarHBondContact O-N 3.19Å; H515-C517 VanDerWaalsContact C-N 3.29Å
518	F	87.5	Confident	85.3	Confident	17 Å²	17	58.6 Å²	58.6	8%	0.075	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	161.5	-175.5	47.3	-93.5	0	0	0	110.5	T499 R500 R508 L509 C516	T499-F518 VanDerWaalsContact CB-O 3.3Å; T499-F518 WeakPolarHBondContact CB-O 3.39Å; T499-F518 HydrophobicContact CG2-CE2 4.5Å; T499-F518 WeakPolarHBondContact CG2-O 3.36Å; T499-F518 PolarHBondContact OG1-O 3.47Å; R500-F518 WeakPolarHBondContact O-CE2 3.31Å; R508-F518 HydrophobicContact CB-CB 3.93Å; R508-F518 HydrophobicContact CB-CD1 4.41Å; R508-F518 HydrophobicContact CB-CD2 3.89Å; R508-F518 HydrophobicContact CB-CG 3.81Å; R508-F518 HydrophobicContact CG-CD1 4.38Å; R508-F518 HydrophobicContact CG-CD2 3.61Å; R508-F518 HydrophobicContact CG-CE2 3.8Å; R508-F518 HydrophobicContact CG-CG 3.93Å; R508-F518 HydrophobicContact CG-CZ 4.27Å; L509-F518 CarbonylContact O-C 3.56Å; L509-F518 WeakPolarHBondContact O-CA 3.27Å; L509-F518 VanDerWaalsContact O-CB 3.32Å; L509-F518 WeakPolarHBondContact O-CB 3.31Å; C516-F518 WeakPolarHBondContact O-CD1 3.31Å
519	E	88.1	Confident	85.3	Confident	97 Å²	97	57 Å²	57	45%	0.453	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	145.1	165.3	-170.5	163.8	-164.4	0	0	108.9	L509 M511 M521	L509-E519 PolarHBondContact N-O 3.41Å; L509-E519 PolarHBondContact O-N 3.32Å; M511-E519 HydrophobicContact CG-CB 3.96Å; M511-E519 HydrophobicContact SD-CB 4.5Å; E519-M521 HydrophobicContact CG-SD 4.44Å
520	C	89.6	Confident	85	Confident	40 Å²	40	56 Å²	56	27%	0.27	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	111.4	-179	-62.1	0	0	0	0	109.1	C502 H506	C502-C520 WeakPolarHBondContact CA-SG 3.43Å; C502-C520 HydrophobicContact CB-CB 3.71Å; C502-C520 WeakPolarHBondContact CB-SG 3.21Å; C502-C520 VanDerWaalsContact SG-CA 3.5Å; C502-C520 WeakPolarHBondContact SG-CB 3.26Å; C502-C520 CovalentContact SG-SG 2.04Å; C502-C520 PolarHBondContact SG-SG 2.87Å; H506-C520 HydrophobicContact CB-CB 4.3Å
521	M	88.8	Confident	84.4	Confident	76 Å²	76	59.2 Å²	59.2	37%	0.374	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.7	-176.9	-68.7	-64.3	-68.9	0	0	109.6	H506 H507 L509 E519	H506-M521 CarbonylContact C-O 3.44Å; H506-M521 WeakPolarHBondContact CA-O 3.32Å; H507-M521 WeakPolarHBondContact CE1-CB 3.21Å; H507-M521 PolarHBondContact N-O 3.22Å; H507-M521 WeakPolarHBondContact ND1-CB 3.33Å; H507-M521 PolarHBondContact ND1-O 2.87Å; H507-M521 PolarHBondContact O-N 3.06Å; L509-M521 HydrophobicContact CB-CG 4.28Å; L509-M521 HydrophobicContact CD2-CG 4.31Å; E519-M521 HydrophobicContact CG-SD 4.44Å
522	P	92.3	Very high	84.7	Confident	41 Å²	41	58.7 Å²	58.7	27%	0.266	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	143	179.2	28	-34	0	0	0	110.7	E548	P522-E548 HydrophobicContact CB-CG 4.21Å
523	C	90.6	Very high	84.7	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-65.6	135.1	171.1	-72.3	0	0	0	0	110.7	G505 C537 E548 G549	G505-C523 PolarHBondContact O-N 3.49Å; C523-C537 WeakPolarHBondContact CA-SG 3.45Å; C523-C537 HydrophobicContact CB-CB 3.77Å; C523-C537 WeakPolarHBondContact CB-SG 2.91Å; C523-C537 WeakPolarHBondContact SG-CB 3.46Å; C523-C537 CovalentContact SG-SG 2.04Å; C523-C537 PolarHBondContact SG-SG 3.32Å; C523-E548 CarbonylContact O-C 3.58Å; C523-E548 WeakPolarHBondContact O-CA 3.47Å; C523-E548 WeakPolarHBondContact O-CG 3.32Å; C523-G549 PolarHBondContact O-N 2.71Å
524	E	90.1	Very high	85	Confident	150 Å²	150	58.1 Å²	58.1	70%	0.701	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-65.1	156	-179.7	-63.5	-176.5	174.2	0	0	112	G526 T527	E524-G526 PolarHBondContact O-N 3.1Å; E524-T527 PolarHBondContact N-OG1 2.87Å; E524-T527 PolarHBondContact O-N 2.87Å; E524-T527 PolarHBondContact O-OG1 3.49Å
525	A	87.8	Confident	85.2	Confident	64 Å²	64	59.8 Å²	59.8	53%	0.529	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	133.1	178.4	0	0	0	0	0	111.9	W545	A525-W545 HydrophobicContact CB-CZ2 4.46Å
526	G	87.1	Confident	85.3	Confident	19 Å²	19	59.8 Å²	59.8	20%	0.196	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	1.4	-173.1	0	0	0	0	0	114.5	E524 C540 A546	E524-G526 PolarHBondContact O-N 3.1Å; G526-C540 PolarHBondContact O-N 3.04Å; G526-C540 PolarHBondContact O-SG 3.33Å; G526-A546 PolarHBondContact N-O 3.08Å
527	T	91.1	Very high	85.6	Confident	28 Å²	28	60.1 Å²	60.1	17%	0.172	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	163.1	174.9	72.8	0	0	0	0	111.8	E524 Q538	E524-T527 PolarHBondContact N-OG1 2.87Å; E524-T527 PolarHBondContact O-N 2.87Å; E524-T527 PolarHBondContact O-OG1 3.49Å; T527-Q538 CarbonylContact C-O 3.49Å; T527-Q538 WeakPolarHBondContact CA-O 3.44Å; T527-Q538 VanDerWaalsContact CB-O 3.28Å; T527-Q538 WeakPolarHBondContact CB-O 3.45Å
528	F	90.7	Very high	85.7	Confident	39 Å²	39	61.9 Å²	61.9	17%	0.171	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	162.9	178.4	76.9	-71.8	0	0	0	111.3	N530 C537 Q538 S550 S551 C553	F528-N530 HydrophobicContact CE2-CB 3.95Å; F528-N530 HydrophobicContact CZ-CB 4.48Å; F528-C537 CarbonylContact O-C 3.5Å; F528-C537 WeakPolarHBondContact O-CA 3.43Å; F528-Q538 HydrophobicContact CD1-CB 4.23Å; F528-Q538 VanDerWaalsContact CD1-O 3.26Å; F528-Q538 WeakPolarHBondContact CD1-O 3.44Å; F528-Q538 HydrophobicContact CE1-CB 3.79Å; F528-Q538 HydrophobicContact CZ-CB 4.25Å; F528-Q538 PolarHBondContact N-O 3.36Å; F528-Q538 PolarHBondContact O-N 2.87Å; F528-S550 WeakPolarHBondContact CA-O 3.46Å; F528-S551 WeakPolarHBondContact CD2-O 3.22Å; F528-C553 WeakPolarHBondContact CD1-SG 3.18Å
529	L	88	Confident	85.8	Confident	19 Å²	19	66 Å²	66	10%	0.099	38%	0.375	C	S	.	.			trans	-102	114.1	175.7	-167.5	68.7	0	0	0	111.4	H506 H507 E533 T536 S550	H506-L529 VanDerWaalsContact O-CD2 3.3Å; H506-L529 WeakPolarHBondContact O-CD2 3.38Å; H507-L529 HydrophobicContact CB-CD1 3.8Å; H507-L529 HydrophobicContact CB-CD2 4.45Å; L529-E533 WeakPolarHBondContact CD1-O 3.42Å; L529-T536 WeakPolarHBondContact CD1-O 3.18Å; L529-S550 PolarHBondContact N-O 2.69Å
530	N	81.3	Confident	85.8	Confident	62 Å²	62	62.6 Å²	62.6	33%	0.332	36%	0.361	S	S	.	.			trans	-82.5	129.9	169.9	-170.4	-14.3	0	0	0	109.7	F528 S532 E533	F528-N530 HydrophobicContact CE2-CB 3.95Å; F528-N530 HydrophobicContact CZ-CB 4.48Å; N530-S532 PolarHBondContact O-N 2.74Å; N530-S532 PolarHBondContact OD1-OG 3.07Å; N530-E533 PolarHBondContact O-N 2.83Å
531	T	70.5	Confident	85.8	Confident	130 Å²	130	62.4 Å²	62.4	80%	0.798	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-16.6	-175.8	41	0	0	0	0	115.1
532	S	73.5	Confident	85.5	Confident	87 Å²	87	64 Å²	64	61%	0.608	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-26.5	173.9	51.4	0	0	0	0	114.4	N530	N530-S532 PolarHBondContact O-N 2.74Å; N530-S532 PolarHBondContact OD1-OG 3.07Å
533	E	72.6	Confident	85.1	Confident	98 Å²	98	65.4 Å²	65.4	46%	0.458	38%	0.383	S	S	.	.			trans	-130.2	98.4	-177.4	-72.8	-177.4	176.6	0	0	110.9	L529 N530 H535 Q538	L529-E533 WeakPolarHBondContact CD1-O 3.42Å; N530-E533 PolarHBondContact O-N 2.83Å; E533-H535 VanDerWaalsContact C-N 3.28Å; E533-H535 PolarHBondContact O-N 3.24Å; E533-Q538 PolarHBondContact OE2-NE2 2.91Å
534	L	80.8	Confident	85	Confident	71 Å²	71	69.1 Å²	69.1	37%	0.372	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.9	-173	-67	165.2	0	0	0	114.9	R508	R508-L534 PolarHBondContact N-O 3.46Å
535	H	84.2	Confident	85	Confident	103 Å²	103	64.9 Å²	64.9	48%	0.477	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-12.1	-170.3	-66.3	-65.8	0	0	0	114.7	H507 R508 E533	H507-H535 PolarHBondContact CD2-O 3.39Å; H507-H535 VanDerWaalsContact CD2-O 3.23Å; R508-H535 PolarHBondContact O-ND1 3.16Å; E533-H535 VanDerWaalsContact C-N 3.28Å; E533-H535 PolarHBondContact O-N 3.24Å
536	T	85.4	Confident	85.1	Confident	81 Å²	81	61.8 Å²	61.8	50%	0.497	35%	0.353	S	S	.	.			trans	-138.2	127.2	-172	-46.9	0	0	0	0	110.4	L529	L529-T536 WeakPolarHBondContact CD1-O 3.18Å
537	C	89.8	Confident	85.1	Confident	27 Å²	27	63.4 Å²	63.4	18%	0.182	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-79.3	137.6	172.1	-56.2	0	0	0	0	110.3	C523 F528	C523-C537 WeakPolarHBondContact CA-SG 3.45Å; C523-C537 HydrophobicContact CB-CB 3.77Å; C523-C537 WeakPolarHBondContact CB-SG 2.91Å; C523-C537 WeakPolarHBondContact SG-CB 3.46Å; C523-C537 CovalentContact SG-SG 2.04Å; C523-C537 PolarHBondContact SG-SG 3.32Å; F528-C537 CarbonylContact O-C 3.5Å; F528-C537 WeakPolarHBondContact O-CA 3.43Å
538	Q	89.2	Confident	85.1	Confident	50 Å²	50	68.5 Å²	68.5	23%	0.234	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	141	-178.4	-63.8	-179.5	-15.8	0	0	110.2	T527 F528 E533	T527-Q538 CarbonylContact C-O 3.49Å; T527-Q538 WeakPolarHBondContact CA-O 3.44Å; T527-Q538 VanDerWaalsContact CB-O 3.28Å; T527-Q538 WeakPolarHBondContact CB-O 3.45Å; F528-Q538 HydrophobicContact CD1-CB 4.23Å; F528-Q538 VanDerWaalsContact CD1-O 3.26Å; F528-Q538 WeakPolarHBondContact CD1-O 3.44Å; F528-Q538 HydrophobicContact CE1-CB 3.79Å; F528-Q538 HydrophobicContact CZ-CB 4.25Å; F528-Q538 PolarHBondContact N-O 3.36Å; F528-Q538 PolarHBondContact O-N 2.87Å; E533-Q538 PolarHBondContact OE2-NE2 2.91Å
539	P	90	Very high	84.9	Confident	104 Å²	104	67.8 Å²	67.8	68%	0.675	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	146.1	177.6	30.2	-34.4	0	0	0	111.9
540	C	88.5	Confident	84.8	Confident	26 Å²	26	67.4 Å²	67.4	18%	0.176	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-69.3	156.9	173.3	-67.5	0	0	0	0	112.8	G526 E544 A546 C553	G526-C540 PolarHBondContact O-N 3.04Å; G526-C540 PolarHBondContact O-SG 3.33Å; C540-E544 HydrophobicContact CB-CB 4.21Å; C540-A546 VanDerWaalsContact SG-CB 3.55Å; C540-C553 WeakPolarHBondContact CA-SG 3.43Å; C540-C553 HydrophobicContact CB-CB 3.82Å; C540-C553 WeakPolarHBondContact CB-SG 3.3Å; C540-C553 WeakPolarHBondContact SG-CB 3.45Å; C540-C553 CovalentContact SG-SG 2.04Å; C540-C553 PolarHBondContact SG-SG 3.41Å
541	G	88.8	Confident	85.1	Confident	36 Å²	36	67.3 Å²	67.3	37%	0.371	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-62.7	163.2	170.5	0	0	0	0	0	112.6	E543 E544	G541-E543 VanDerWaalsContact C-N 3.26Å; G541-E543 PolarHBondContact O-N 3.25Å; G541-E544 CarbonylContact O-C 3.59Å; G541-E544 PolarHBondContact O-N 3.11Å
542	T	82.6	Confident	85.9	Confident	108 Å²	108	63 Å²	63	66%	0.663	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.8	-176	50.4	0	0	0	0	114.2	E544 R556	T542-E544 VanDerWaalsContact C-N 3.31Å; T542-R556 PolarHBondContact O-NE 3.31Å
543	E	83.9	Confident	86.7	Confident	71 Å²	71	60.1 Å²	60.1	33%	0.332	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	1.2	177.6	-63.5	-70.7	172.3	0	0	112.5	G541 R556 R708 Y710	G541-E543 VanDerWaalsContact C-N 3.26Å; G541-E543 PolarHBondContact O-N 3.25Å; E543-R556 PolarHBondContact O-N 2.84Å; E543-R708 IonicContact OE1-CZ 3.23Å; E543-R708 IonicContact OE1-NH1 2.75Å; E543-R708 PolarHBondContact OE1-NH1 3.35Å; E543-R708 IonicContact OE2-NH1 3.16Å; E543-R708 PolarHBondContact OE2-NH1 2.84Å; E543-R708 VanDerWaalsContact OE2-NH1 3.13Å; E543-Y710 PolarHBondContact OE1-OH 3.22Å
544	E	89.1	Confident	87.4	Confident	78 Å²	78	61 Å²	61	36%	0.364	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	163.9	-174.3	-57.3	177.9	144.4	0	0	110.4	C540 G541 T542 C553 F554 R556	C540-E544 HydrophobicContact CB-CB 4.21Å; G541-E544 CarbonylContact O-C 3.59Å; G541-E544 PolarHBondContact O-N 3.11Å; T542-E544 VanDerWaalsContact C-N 3.31Å; E544-C553 HydrophobicContact CB-CB 3.89Å; E544-F554 CarbonylContact C-O 3.4Å; E544-F554 WeakPolarHBondContact CA-O 3.43Å; E544-F554 WeakPolarHBondContact CB-O 3.44Å; E544-R556 PolarHBondContact O-NE 2.99Å
545	W	89.8	Confident	87.7	Confident	61 Å²	61	62.4 Å²	62.4	23%	0.231	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	154.7	176.7	177.5	74.9	0	0	0	109.7	A525 P547 F554 R556 P714 H715	A525-W545 HydrophobicContact CB-CZ2 4.46Å; W545-P547 HydrophobicContact CH2-CB 3.76Å; W545-P547 HydrophobicContact CH2-CG 4.47Å; W545-P547 HydrophobicContact CZ2-CB 4.44Å; W545-P547 HydrophobicContact CZ3-CB 4.17Å; W545-P547 HydrophobicContact CZ3-CG 4.4Å; W545-F554 PolarHBondContact N-O 3.4Å; W545-F554 WeakPolarHBondContact O-CA 3.27Å; W545-F554 PolarHBondContact O-N 3.15Å; W545-F554 VanDerWaalsContact O-O 3.07Å; W545-R556 HydrophobicContact CB-CG 3.96Å; W545-P714 WeakPolarHBondContact CB-O 3.41Å; W545-H715 HydrophobicContact CD2-CB 4.26Å; W545-H715 HydrophobicContact CE3-CB 3.92Å; W545-H715 HydrophobicContact CZ3-CB 4.21Å
546	A	89.5	Confident	87.8	Confident	0 Å²	0	60 Å²	60	0%	0	35%	0.35	C	S	.	.			trans	-135.2	137.5	177.4	0	0	0	0	0	110.6	G526 C540	G526-A546 PolarHBondContact N-O 3.08Å; C540-A546 VanDerWaalsContact SG-CB 3.55Å
547	P	88.7	Confident	87.6	Confident	53 Å²	53	59.9 Å²	59.9	34%	0.344	35%	0.35	S	S	.	.			trans	-65.9	166	166.8	25.8	-29.8	0	0	0	111.4	W545 S550 F554	W545-P547 HydrophobicContact CH2-CB 3.76Å; W545-P547 HydrophobicContact CH2-CG 4.47Å; W545-P547 HydrophobicContact CZ2-CB 4.44Å; W545-P547 HydrophobicContact CZ3-CB 4.17Å; W545-P547 HydrophobicContact CZ3-CG 4.4Å; P547-S550 WeakPolarHBondContact CD-OG 3.29Å; P547-S550 VanDerWaalsContact CG-OG 3.23Å; P547-S550 WeakPolarHBondContact CG-OG 3.2Å; P547-S550 VanDerWaalsContact O-CB 3.32Å; P547-S550 WeakPolarHBondContact O-CB 3.47Å; P547-S550 PolarHBondContact O-N 2.9Å; P547-S550 PolarHBondContact O-OG 3.21Å; P547-F554 HydrophobicContact CG-CE2 4.49Å
548	E	89.6	Confident	87.3	Confident	135 Å²	135	61.7 Å²	61.7	63%	0.631	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	138.8	174.1	-172.3	-178.3	174.9	0	0	111.3	P522 C523	P522-E548 HydrophobicContact CB-CG 4.21Å; C523-E548 CarbonylContact O-C 3.58Å; C523-E548 WeakPolarHBondContact O-CA 3.47Å; C523-E548 WeakPolarHBondContact O-CG 3.32Å
549	G	87.1	Confident	87.1	Confident	24 Å²	24	62.8 Å²	62.8	25%	0.247	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	23.8	-179.9	0	0	0	0	0	114.5	C523	C523-G549 PolarHBondContact O-N 2.71Å
550	S	86.7	Confident	86.9	Confident	11 Å²	11	61.2 Å²	61.2	8%	0.077	35%	0.347	C	S	.	.			trans	-84.5	143.6	-179.9	-63.9	0	0	0	0	113.5	G505 F528 L529 P547 A552	G505-S550 WeakPolarHBondContact CA-O 3.39Å; F528-S550 WeakPolarHBondContact CA-O 3.46Å; L529-S550 PolarHBondContact N-O 2.69Å; P547-S550 WeakPolarHBondContact CD-OG 3.29Å; P547-S550 VanDerWaalsContact CG-OG 3.23Å; P547-S550 WeakPolarHBondContact CG-OG 3.2Å; P547-S550 VanDerWaalsContact O-CB 3.32Å; P547-S550 WeakPolarHBondContact O-CB 3.47Å; P547-S550 PolarHBondContact O-N 2.9Å; P547-S550 PolarHBondContact O-OG 3.21Å; S550-A552 WeakPolarHBondContact CB-O 3.5Å
551	S	86.6	Confident	86.8	Confident	59 Å²	59	60.3 Å²	60.3	41%	0.413	34%	0.341	S	S	.	.	S	Bend	trans	-89.1	-9.7	170.4	53.5	0	0	0	0	113.8	F528	F528-S551 WeakPolarHBondContact CD2-O 3.22Å
552	A	88	Confident	86.7	Confident	41 Å²	41	59 Å²	59	34%	0.339	33%	0.328	S	S	.	.	S	Bend	trans	-151.3	162.4	-180	0	0	0	0	0	111.6	S550	S550-A552 WeakPolarHBondContact CB-O 3.5Å
553	C	89.8	Confident	87	Confident	26 Å²	26	59.6 Å²	59.6	18%	0.176	32%	0.318	C	S	.	.			trans	-89.8	146.6	170.7	-61.7	0	0	0	0	111.3	F528 C540 E544	F528-C553 WeakPolarHBondContact CD1-SG 3.18Å; C540-C553 WeakPolarHBondContact CA-SG 3.43Å; C540-C553 HydrophobicContact CB-CB 3.82Å; C540-C553 WeakPolarHBondContact CB-SG 3.3Å; C540-C553 WeakPolarHBondContact SG-CB 3.45Å; C540-C553 CovalentContact SG-SG 2.04Å; C540-C553 PolarHBondContact SG-SG 3.41Å; E544-C553 HydrophobicContact CB-CB 3.89Å
554	F	88	Confident	87.2	Confident	117 Å²	117	64.3 Å²	64.3	51%	0.513	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146.6	178.5	-55.5	-81.9	0	0	0	110.2	E544 W545 P547 R556	E544-F554 CarbonylContact C-O 3.4Å; E544-F554 WeakPolarHBondContact CA-O 3.43Å; E544-F554 WeakPolarHBondContact CB-O 3.44Å; W545-F554 PolarHBondContact N-O 3.4Å; W545-F554 WeakPolarHBondContact O-CA 3.27Å; W545-F554 PolarHBondContact O-N 3.15Å; W545-F554 VanDerWaalsContact O-O 3.07Å; P547-F554 HydrophobicContact CG-CE2 4.49Å; F554-R556 PolarHBondContact O-N 3.49Å
555	S	87.1	Confident	87.2	Confident	99 Å²	99	63.1 Å²	63.1	69%	0.692	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	135	176.9	-53.5	0	0	0	0	111.3
556	R	85.1	Confident	87.3	Confident	52 Å²	52	65.3 Å²	65.3	20%	0.196	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-64.5	150.3	174.1	-66	-179.3	-173.5	-156.5	4.1	110.6	T542 E543 E544 W545 F554 Y710 P714 V717	T542-R556 PolarHBondContact O-NE 3.31Å; E543-R556 PolarHBondContact O-N 2.84Å; E544-R556 PolarHBondContact O-NE 2.99Å; W545-R556 HydrophobicContact CB-CG 3.96Å; F554-R556 PolarHBondContact O-N 3.49Å; R556-Y710 PolarHBondContact NH1-O 2.81Å; R556-P714 PolarHBondContact NE-O 2.89Å; R556-V717 HydrophobicContact CB-CG2 3.74Å; R556-V717 HydrophobicContact CG-CG2 4.43Å
557	T	81.9	Confident	87.4	Confident	80 Å²	80	68.8 Å²	68.8	49%	0.491	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130.3	177.1	46.7	0	0	0	0	110.1	H715 L716 V717	T557-H715 PolarHBondContact N-O 2.96Å; T557-H715 PolarHBondContact OG1-O 3.39Å; T557-L716 CarbonylContact O-C 3.38Å; T557-L716 VanDerWaalsContact O-CA 3.29Å; T557-L716 WeakPolarHBondContact O-CA 3.45Å; T557-L716 WeakPolarHBondContact OG1-CD2 3.42Å; T557-V717 PolarHBondContact O-N 2.96Å
558	V	83.6	Confident	87.6	Confident	64 Å²	64	66.2 Å²	66.2	39%	0.388	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	117.8	-176.5	-177.5	0	0	0	0	109.2	F560 V717 L719	V558-F560 HydrophobicContact CG1-CD1 4.49Å; V558-V717 WeakPolarHBondContact CA-O 3.36Å; V558-V717 HydrophobicContact CG2-CB 4.28Å; V558-L719 HydrophobicContact CG1-CD1 3.57Å; V558-L719 HydrophobicContact CG1-CD2 4.19Å; V558-L719 HydrophobicContact CG1-CG 3.64Å
559	E	83.6	Confident	87.8	Confident	74 Å²	74	64.3 Å²	64.3	35%	0.346	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.8	178.7	-72.6	-161.4	175.8	0	0	112.3	L716 V717 L719 S787	E559-L716 HydrophobicContact CG-CD2 3.9Å; E559-V717 PolarHBondContact N-O 3.43Å; E559-L719 PolarHBondContact O-N 2.59Å; E559-S787 VanDerWaalsContact OE2-CB 3.23Å; E559-S787 WeakPolarHBondContact OE2-CB 3.39Å; E559-S787 PolarHBondContact OE2-OG 3.38Å
560	F	86.5	Confident	88.3	Confident	70 Å²	70	68 Å²	68	31%	0.307	37%	0.368	S	S	.	.			trans	-159.3	159.6	172.8	62.3	-86	0	0	0	108.5	V558 G562 L719	V558-F560 HydrophobicContact CG1-CD1 4.49Å; F560-G562 PolarHBondContact O-N 3.39Å; F560-L719 HydrophobicContact CB-CB 4.12Å; F560-L719 HydrophobicContact CB-CD1 4.49Å; F560-L719 HydrophobicContact CD1-CD1 4.04Å; F560-L719 HydrophobicContact CG-CD1 4.5Å
561	L	85.9	Confident	88.7	Confident	7 Å²	7	68 Å²	68	4%	0.037	37%	0.368	C	S	.	.			trans	-67.6	95.8	177.1	-173.3	65.8	0	0	0	110.6	I567 S568 F624 G625 Y788 P790 A791	L561-I567 HydrophobicContact CD1-CG2 4.07Å; L561-S568 VanDerWaalsContact CD1-OG 3.23Å; L561-S568 WeakPolarHBondContact CD1-OG 3.29Å; L561-S568 WeakPolarHBondContact CG-OG 3.46Å; L561-F624 HydrophobicContact CD2-CD1 3.7Å; L561-F624 HydrophobicContact CD2-CE1 3.56Å; L561-F624 HydrophobicContact CD2-CZ 4.43Å; L561-F624 HydrophobicContact CG-CD1 3.94Å; L561-F624 HydrophobicContact CG-CE1 4.12Å; L561-G625 PolarHBondContact O-N 3.17Å; L561-Y788 HydrophobicContact CD1-CD1 4.46Å; L561-P790 HydrophobicContact CD2-CB 4.2Å; L561-A791 HydrophobicContact CD1-CB 3.97Å; L561-A791 HydrophobicContact CD2-CB 3.96Å
562	G	88.2	Confident	89.2	Confident	10 Å²	10	66.2 Å²	66.2	10%	0.103	35%	0.354	C	S	.	.			trans	-71.4	154	-176	0	0	0	0	0	113.1	F560 H564 E565 S568	F560-G562 PolarHBondContact O-N 3.39Å; G562-H564 PolarHBondContact O-N 2.72Å; G562-E565 PolarHBondContact N-OE1 3.11Å; G562-S568 WeakPolarHBondContact O-CB 3.31Å; G562-S568 PolarHBondContact O-OG 2.79Å
563	W	88.9	Confident	89.6	Confident	120 Å²	120	67.2 Å²	67.2	46%	0.455	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28.7	176.3	-69.9	93.3	0	0	0	113.7	L572 F624 G625	W563-L572 HydrophobicContact CE3-CD1 3.79Å; W563-L572 HydrophobicContact CE3-CD2 4.38Å; W563-L572 HydrophobicContact CZ3-CD1 4.23Å; W563-L572 HydrophobicContact CZ3-CD2 3.98Å; W563-F624 HydrophobicContact CD2-CB 3.96Å; W563-F624 HydrophobicContact CE3-CB 3.98Å; W563-F624 HydrophobicContact CH2-CB 4.15Å; W563-F624 HydrophobicContact CZ2-CB 4.14Å; W563-F624 HydrophobicContact CZ3-CB 4.08Å; W563-G625 VanDerWaalsContact NE1-CA 3.29Å
564	H	88.2	Confident	89.9	Confident	169 Å²	169	67.8 Å²	67.8	78%	0.782	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	4.6	-168.6	-60.4	78.6	0	0	0	113.3	G562	G562-H564 PolarHBondContact O-N 2.72Å
565	E	88.3	Confident	90.4	Very high	53 Å²	53	62.2 Å²	62.2	25%	0.248	34%	0.344	C	S	.	.	S	Bend	trans	-70.4	144.6	174.7	-74.4	171.3	-148.1	0	0	110.6	G562 I567 S568 L569	G562-E565 PolarHBondContact N-OE1 3.11Å; E565-I567 VanDerWaalsContact C-N 3.25Å; E565-I567 HydrophobicContact CB-CG2 4.34Å; E565-I567 PolarHBondContact O-N 2.82Å; E565-S568 WeakPolarHBondContact O-CA 3.49Å; E565-S568 WeakPolarHBondContact O-CB 3.24Å; E565-S568 PolarHBondContact O-N 2.86Å; E565-L569 WeakPolarHBondContact O-CG 3.41Å; E565-L569 PolarHBondContact O-N 2.66Å
566	P	91.8	Very high	90.9	Very high	107 Å²	107	60.1 Å²	60.1	70%	0.695	33%	0.327	S	S	*	.	H	α-helix	trans	-52.8	-42.3	-179.7	-27.6	34.3	0	0	0	113.2	L569 V570	P566-L569 PolarHBondContact O-N 2.8Å; P566-V570 WeakPolarHBondContact O-CG2 3.43Å; P566-V570 PolarHBondContact O-N 3.18Å; P566-V570 VanDerWaalsContact O-N 3.15Å
567	I	92	Very high	91.5	Very high	73 Å²	73	62.8 Å²	62.8	37%	0.374	34%	0.344	S	S	.	.	H	α-helix	trans	-65.7	-39.7	178	-165	165.6	0	0	0	111.9	L561 E565 V570 L571 Y788 A791	L561-I567 HydrophobicContact CD1-CG2 4.07Å; E565-I567 VanDerWaalsContact C-N 3.25Å; E565-I567 HydrophobicContact CB-CG2 4.34Å; E565-I567 PolarHBondContact O-N 2.82Å; I567-V570 PolarHBondContact O-N 2.73Å; I567-L571 HydrophobicContact CG1-CD1 4.31Å; I567-L571 WeakPolarHBondContact O-CG 3.29Å; I567-L571 PolarHBondContact O-N 2.93Å; I567-Y788 HydrophobicContact CD1-CD1 4.44Å; I567-Y788 HydrophobicContact CG2-CD1 4.05Å; I567-Y788 HydrophobicContact CG2-CE1 3.81Å; I567-A791 HydrophobicContact CD1-CB 4.15Å
568	S	93.2	Very high	92.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.4	-42.4	177.9	-62	0	0	0	0	112.1	L561 G562 E565 V570 L571 L572	L561-S568 VanDerWaalsContact CD1-OG 3.23Å; L561-S568 WeakPolarHBondContact CD1-OG 3.29Å; L561-S568 WeakPolarHBondContact CG-OG 3.46Å; G562-S568 WeakPolarHBondContact O-CB 3.31Å; G562-S568 PolarHBondContact O-OG 2.79Å; E565-S568 WeakPolarHBondContact O-CA 3.49Å; E565-S568 WeakPolarHBondContact O-CB 3.24Å; E565-S568 PolarHBondContact O-N 2.86Å; S568-V570 VanDerWaalsContact C-N 3.32Å; S568-V570 PolarHBondContact O-N 3.5Å; S568-L571 PolarHBondContact O-N 2.87Å; S568-L572 VanDerWaalsContact O-CB 3.26Å; S568-L572 WeakPolarHBondContact O-CB 3.4Å; S568-L572 VanDerWaalsContact O-CG 3.24Å; S568-L572 WeakPolarHBondContact O-CG 3.14Å; S568-L572 PolarHBondContact O-N 3.11Å
569	L	94.2	Very high	92.9	Very high	94 Å²	94	57.6 Å²	57.6	49%	0.492	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-42.3	176.7	-68.2	174.4	0	0	0	111.5	E565 P566 A573	E565-L569 WeakPolarHBondContact O-CG 3.41Å; E565-L569 PolarHBondContact O-N 2.66Å; P566-L569 PolarHBondContact O-N 2.8Å; L569-A573 VanDerWaalsContact O-CB 3.31Å; L569-A573 WeakPolarHBondContact O-CB 3.47Å; L569-A573 PolarHBondContact O-N 2.88Å
570	V	95.8	Very high	93.5	Very high	101 Å²	101	59.3 Å²	59.3	61%	0.612	32%	0.322	S	S	*	.	H	α-helix	trans	-62.9	-47.8	176.2	171.9	0	0	0	0	111.3	P566 I567 S568 A573 A574	P566-V570 WeakPolarHBondContact O-CG2 3.43Å; P566-V570 PolarHBondContact O-N 3.18Å; P566-V570 VanDerWaalsContact O-N 3.15Å; I567-V570 PolarHBondContact O-N 2.73Å; S568-V570 VanDerWaalsContact C-N 3.32Å; S568-V570 PolarHBondContact O-N 3.5Å; V570-A573 PolarHBondContact O-N 3.06Å; V570-A574 WeakPolarHBondContact O-CB 3.23Å; V570-A574 PolarHBondContact O-N 2.85Å
571	L	96.2	Very high	94	Very high	12 Å²	12	59.8 Å²	59.8	6%	0.063	33%	0.328	C	S	.	.	H	α-helix	trans	-66.2	-40	179.8	-69.1	173.6	0	0	0	112.4	I567 S568 A574 N575 F624 A791 V794 L795	I567-L571 HydrophobicContact CG1-CD1 4.31Å; I567-L571 WeakPolarHBondContact O-CG 3.29Å; I567-L571 PolarHBondContact O-N 2.93Å; S568-L571 PolarHBondContact O-N 2.87Å; L571-A574 PolarHBondContact O-N 2.7Å; L571-N575 WeakPolarHBondContact O-CB 3.39Å; L571-N575 PolarHBondContact O-N 3.04Å; L571-F624 HydrophobicContact CB-CE1 4.32Å; L571-F624 HydrophobicContact CB-CZ 3.73Å; L571-F624 HydrophobicContact CD1-CE1 4.44Å; L571-F624 HydrophobicContact CD1-CZ 4.24Å; L571-A791 HydrophobicContact CD1-CB 3.9Å; L571-V794 HydrophobicContact CB-CG1 4.2Å; L571-V794 HydrophobicContact CD1-CB 4.27Å; L571-V794 HydrophobicContact CD1-CG1 4.18Å; L571-V794 HydrophobicContact CD2-CG1 4.39Å; L571-L795 HydrophobicContact CD2-CB 4.28Å; L571-L795 HydrophobicContact CD2-CD1 4.13Å
572	L	96	Very high	94.5	Very high	22 Å²	22	59.4 Å²	59.4	12%	0.115	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-45.9	175.7	-77.6	166.6	0	0	0	111.4	W563 S568 A574 N575 T576 Y621 F624	W563-L572 HydrophobicContact CE3-CD1 3.79Å; W563-L572 HydrophobicContact CE3-CD2 4.38Å; W563-L572 HydrophobicContact CZ3-CD1 4.23Å; W563-L572 HydrophobicContact CZ3-CD2 3.98Å; S568-L572 VanDerWaalsContact O-CB 3.26Å; S568-L572 WeakPolarHBondContact O-CB 3.4Å; S568-L572 VanDerWaalsContact O-CG 3.24Å; S568-L572 WeakPolarHBondContact O-CG 3.14Å; S568-L572 PolarHBondContact O-N 3.11Å; L572-A574 VanDerWaalsContact C-N 3.34Å; L572-A574 PolarHBondContact O-N 3.21Å; L572-N575 PolarHBondContact O-N 3.33Å; L572-T576 VanDerWaalsContact O-CB 3.32Å; L572-T576 WeakPolarHBondContact O-CB 3.25Å; L572-T576 PolarHBondContact O-N 2.97Å; L572-T576 PolarHBondContact O-OG1 3.37Å; L572-Y621 HydrophobicContact CD2-CD1 3.55Å; L572-Y621 HydrophobicContact CD2-CE1 3.79Å; L572-F624 HydrophobicContact CD1-CD1 4.47Å; L572-F624 HydrophobicContact CD1-CG 4.39Å; L572-F624 HydrophobicContact CD2-CD2 3.62Å; L572-F624 HydrophobicContact CD2-CE2 3.79Å; L572-F624 HydrophobicContact CD2-CG 4.16Å; L572-F624 HydrophobicContact CD2-CZ 4.45Å; L572-F624 HydrophobicContact CG-CD1 4.42Å; L572-F624 HydrophobicContact CG-CD2 4.05Å; L572-F624 HydrophobicContact CG-CE1 4.38Å; L572-F624 HydrophobicContact CG-CE2 3.99Å; L572-F624 HydrophobicContact CG-CG 4.26Å; L572-F624 HydrophobicContact CG-CZ 4.16Å
573	A	96.7	Very high	94.9	Very high	62 Å²	62	63.4 Å²	63.4	51%	0.512	34%	0.344	S	S	.	.	H	α-helix	trans	-60.8	-44.8	177.2	0	0	0	0	0	111.4	L569 V570 T576 L577	L569-A573 VanDerWaalsContact O-CB 3.31Å; L569-A573 WeakPolarHBondContact O-CB 3.47Å; L569-A573 PolarHBondContact O-N 2.88Å; V570-A573 PolarHBondContact O-N 3.06Å; A573-T576 PolarHBondContact O-N 3.41Å; A573-L577 WeakPolarHBondContact O-CB 3.06Å; A573-L577 PolarHBondContact O-N 2.94Å
574	A	97.3	Very high	95.2	Very high	38 Å²	38	59.8 Å²	59.8	31%	0.314	34%	0.344	S	S	.	.	H	α-helix	trans	-66.8	-40.7	179	0	0	0	0	0	112.7	V570 L571 L572 L577 L578 L798	V570-A574 WeakPolarHBondContact O-CB 3.23Å; V570-A574 PolarHBondContact O-N 2.85Å; L571-A574 PolarHBondContact O-N 2.7Å; L572-A574 VanDerWaalsContact C-N 3.34Å; L572-A574 PolarHBondContact O-N 3.21Å; A574-L577 PolarHBondContact O-N 3.31Å; A574-L578 PolarHBondContact O-N 2.81Å; A574-L798 HydrophobicContact CB-CD2 3.58Å
575	N	97.3	Very high	95.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-67.7	-38.3	174.5	-172.3	48.6	0	0	0	112.3	L571 L572 L578 L579 S617 Y621 L798	L571-N575 WeakPolarHBondContact O-CB 3.39Å; L571-N575 PolarHBondContact O-N 3.04Å; L572-N575 PolarHBondContact O-N 3.33Å; N575-L578 PolarHBondContact O-N 3.29Å; N575-L579 WeakPolarHBondContact O-CB 3.31Å; N575-L579 PolarHBondContact O-N 2.94Å; N575-S617 PolarHBondContact ND2-O 3.01Å; N575-S617 PolarHBondContact OD1-OG 3.25Å; N575-Y621 WeakPolarHBondContact ND2-CE2 3.4Å; N575-L798 HydrophobicContact CB-CD1 4.13Å
576	T	97.3	Very high	95.7	Very high	55 Å²	55	51 Å²	51	34%	0.337	31%	0.308	S	S	.	.	H	α-helix	trans	-63.7	-43.2	175.9	-53.2	0	0	0	0	110.9	L572 A573 L578 L579 L580 Y621	L572-T576 VanDerWaalsContact O-CB 3.32Å; L572-T576 WeakPolarHBondContact O-CB 3.25Å; L572-T576 PolarHBondContact O-N 2.97Å; L572-T576 PolarHBondContact O-OG1 3.37Å; A573-T576 PolarHBondContact O-N 3.41Å; T576-L578 PolarHBondContact O-N 3.2Å; T576-L579 PolarHBondContact O-N 3.26Å; T576-L580 HydrophobicContact CG2-CD1 4.35Å; T576-L580 VanDerWaalsContact O-CG 3.32Å; T576-L580 WeakPolarHBondContact O-CG 3.25Å; T576-L580 PolarHBondContact O-N 3.48Å; T576-Y621 VanDerWaalsContact CA-OH 3.3Å; T576-Y621 WeakPolarHBondContact CA-OH 3.4Å; T576-Y621 PolarHBondContact OG1-OH 3.13Å; T576-Y621 VanDerWaalsContact OG1-OH 3.05Å
577	L	97.5	Very high	95.8	Very high	107 Å²	107	47.9 Å²	47.9	56%	0.56	30%	0.296	S	S	*	.	H	α-helix	trans	-60.2	-45.8	174.4	-179.9	62.6	0	0	0	111.4	A573 A574 L579 L580 L581	A573-L577 WeakPolarHBondContact O-CB 3.06Å; A573-L577 PolarHBondContact O-N 2.94Å; A574-L577 PolarHBondContact O-N 3.31Å; L577-L579 PolarHBondContact O-N 3.09Å; L577-L580 PolarHBondContact O-N 2.91Å; L577-L581 HydrophobicContact CG-CD1 4.29Å; L577-L581 VanDerWaalsContact O-CG 3.31Å; L577-L581 WeakPolarHBondContact O-CG 3.3Å; L577-L581 PolarHBondContact O-N 3.27Å
578	L	97.5	Very high	95.8	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-60.8	-44.3	176.1	179.1	61.6	0	0	0	111.9	A574 N575 T576 L580 L581 L582 L798 L801 F805	A574-L578 PolarHBondContact O-N 2.81Å; N575-L578 PolarHBondContact O-N 3.29Å; T576-L578 PolarHBondContact O-N 3.2Å; L578-L580 VanDerWaalsContact C-N 3.35Å; L578-L580 PolarHBondContact O-N 3.19Å; L578-L581 WeakPolarHBondContact O-CB 3.38Å; L578-L581 PolarHBondContact O-N 2.99Å; L578-L582 HydrophobicContact CD1-CD1 4.44Å; L578-L582 HydrophobicContact CD1-CG 4.32Å; L578-L582 HydrophobicContact CG-CD1 4.13Å; L578-L582 HydrophobicContact CG-CG 4.46Å; L578-L582 WeakPolarHBondContact O-CG 3.1Å; L578-L582 PolarHBondContact O-N 2.95Å; L578-L798 HydrophobicContact CB-CD1 4.3Å; L578-L798 HydrophobicContact CD2-CD1 3.76Å; L578-L801 HydrophobicContact CD2-CB 3.6Å; L578-F805 HydrophobicContact CD1-CB 4.12Å; L578-F805 HydrophobicContact CD1-CD1 4.24Å; L578-F805 HydrophobicContact CD1-CG 4.25Å
579	L	97.5	Very high	95.7	Very high	27 Å²	27	45.5 Å²	45.5	14%	0.141	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-45.1	177.5	-177	64.4	0	0	0	111.5	N575 T576 L577 L581 L582 I583 V614 Y621	N575-L579 WeakPolarHBondContact O-CB 3.31Å; N575-L579 PolarHBondContact O-N 2.94Å; T576-L579 PolarHBondContact O-N 3.26Å; L577-L579 PolarHBondContact O-N 3.09Å; L579-L581 VanDerWaalsContact C-N 3.33Å; L579-L581 PolarHBondContact O-N 3.35Å; L579-L582 PolarHBondContact O-N 2.95Å; L579-I583 HydrophobicContact CD1-CD1 4.12Å; L579-I583 HydrophobicContact CG-CD1 3.97Å; L579-I583 WeakPolarHBondContact O-CG1 3.15Å; L579-I583 PolarHBondContact O-N 3.5Å; L579-V614 HydrophobicContact CD1-CB 4.41Å; L579-V614 HydrophobicContact CD1-CG1 3.88Å; L579-V614 HydrophobicContact CD1-CG2 4.29Å; L579-Y621 HydrophobicContact CD2-CE2 4.1Å
580	L	97.6	Very high	95.5	Very high	110 Å²	110	43.7 Å²	43.7	58%	0.576	28%	0.282	S	S	*	.	H	α-helix	trans	-63	-39.5	176.4	-70.6	173.4	0	0	0	111.9	T576 L577 L578 G584	T576-L580 HydrophobicContact CG2-CD1 4.35Å; T576-L580 VanDerWaalsContact O-CG 3.32Å; T576-L580 WeakPolarHBondContact O-CG 3.25Å; T576-L580 PolarHBondContact O-N 3.48Å; L577-L580 PolarHBondContact O-N 2.91Å; L578-L580 VanDerWaalsContact C-N 3.35Å; L578-L580 PolarHBondContact O-N 3.19Å; L580-G584 PolarHBondContact O-N 2.88Å
581	L	96.6	Very high	95.3	Very high	80 Å²	80	47.3 Å²	47.3	42%	0.419	29%	0.285	S	S	.	.	H	α-helix	trans	-64.5	-43	174.3	-70.9	170.6	0	0	0	111.6	L577 L578 L579 G584 T585 F805	L577-L581 HydrophobicContact CG-CD1 4.29Å; L577-L581 VanDerWaalsContact O-CG 3.31Å; L577-L581 WeakPolarHBondContact O-CG 3.3Å; L577-L581 PolarHBondContact O-N 3.27Å; L578-L581 WeakPolarHBondContact O-CB 3.38Å; L578-L581 PolarHBondContact O-N 2.99Å; L579-L581 VanDerWaalsContact C-N 3.33Å; L579-L581 PolarHBondContact O-N 3.35Å; L581-G584 PolarHBondContact O-N 3.38Å; L581-T585 WeakPolarHBondContact O-CB 3.16Å; L581-T585 VanDerWaalsContact O-CG2 3.24Å; L581-T585 WeakPolarHBondContact O-CG2 3.41Å; L581-T585 PolarHBondContact O-N 3.12Å; L581-T585 PolarHBondContact O-OG1 3.34Å; L581-F805 HydrophobicContact CB-CE1 4.03Å; L581-F805 HydrophobicContact CB-CZ 3.9Å; L581-F805 HydrophobicContact CD1-CE1 4.19Å
582	L	97.2	Very high	94.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.1	-44.8	177.2	-70.1	169.9	0	0	0	112.2	L578 L579 T585 A586 L610 L613 V614 F805	L578-L582 HydrophobicContact CD1-CD1 4.44Å; L578-L582 HydrophobicContact CD1-CG 4.32Å; L578-L582 HydrophobicContact CG-CD1 4.13Å; L578-L582 HydrophobicContact CG-CG 4.46Å; L578-L582 WeakPolarHBondContact O-CG 3.1Å; L578-L582 PolarHBondContact O-N 2.95Å; L579-L582 PolarHBondContact O-N 2.95Å; L582-T585 WeakPolarHBondContact CA-OG1 3.32Å; L582-T585 PolarHBondContact O-OG1 2.87Å; L582-A586 WeakPolarHBondContact O-CB 3.45Å; L582-A586 PolarHBondContact O-N 3.49Å; L582-L610 HydrophobicContact CD2-CD2 3.98Å; L582-L613 HydrophobicContact CD1-CB 3.89Å; L582-L613 HydrophobicContact CD2-CB 3.79Å; L582-L613 HydrophobicContact CD2-CD1 3.79Å; L582-L613 HydrophobicContact CD2-CG 4.47Å; L582-V614 HydrophobicContact CB-CG2 3.69Å; L582-V614 HydrophobicContact CD1-CG2 4.25Å; L582-F805 HydrophobicContact CD2-CB 4.18Å; L582-F805 HydrophobicContact CD2-CD2 3.56Å; L582-F805 HydrophobicContact CD2-CE2 4.29Å; L582-F805 HydrophobicContact CD2-CG 4.14Å; L582-F805 HydrophobicContact CG-CD2 4.44Å
583	I	96	Very high	94.1	Very high	93 Å²	93	53.9 Å²	53.9	48%	0.477	31%	0.312	S	S	.	.	H	α-helix	trans	-67.4	-44.1	177	-65.8	169.2	0	0	0	110.6	L579 T585 A586 G587 V614	L579-I583 HydrophobicContact CD1-CD1 4.12Å; L579-I583 HydrophobicContact CG-CD1 3.97Å; L579-I583 WeakPolarHBondContact O-CG1 3.15Å; L579-I583 PolarHBondContact O-N 3.5Å; I583-T585 VanDerWaalsContact C-N 3.33Å; I583-T585 PolarHBondContact O-N 3.37Å; I583-A586 WeakPolarHBondContact O-CB 3.49Å; I583-A586 PolarHBondContact O-N 3.21Å; I583-G587 PolarHBondContact O-N 3.45Å; I583-V614 HydrophobicContact CG1-CG2 4.29Å
584	G	95.7	Very high	93.3	Very high	44 Å²	44	57.9 Å²	57.9	45%	0.454	32%	0.32	S	S	.	.	H	α-helix	trans	-61.4	-40.5	178.3	0	0	0	0	0	112.5	L580 L581 G587 L588	L580-G584 PolarHBondContact O-N 2.88Å; L581-G584 PolarHBondContact O-N 3.38Å; G584-G587 PolarHBondContact O-N 2.95Å; G584-L588 WeakPolarHBondContact O-CB 3.32Å; G584-L588 PolarHBondContact O-N 3.48Å
585	T	93.8	Very high	92.7	Very high	11 Å²	11	57.2 Å²	57.2	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-69.9	-36.5	175.4	52.6	0	0	0	0	112.9	L581 L582 I583 L588 F589 L610 F805 C813	L581-T585 WeakPolarHBondContact O-CB 3.16Å; L581-T585 VanDerWaalsContact O-CG2 3.24Å; L581-T585 WeakPolarHBondContact O-CG2 3.41Å; L581-T585 PolarHBondContact O-N 3.12Å; L581-T585 PolarHBondContact O-OG1 3.34Å; L582-T585 WeakPolarHBondContact CA-OG1 3.32Å; L582-T585 PolarHBondContact O-OG1 2.87Å; I583-T585 VanDerWaalsContact C-N 3.33Å; I583-T585 PolarHBondContact O-N 3.37Å; T585-L588 PolarHBondContact O-N 3.18Å; T585-F589 WeakPolarHBondContact O-CB 3.49Å; T585-F589 WeakPolarHBondContact O-CD1 3.12Å; T585-F589 PolarHBondContact O-N 2.89Å; T585-L610 WeakPolarHBondContact OG1-CD2 3.47Å; T585-F805 HydrophobicContact CG2-CE2 3.52Å; T585-F805 HydrophobicContact CG2-CZ 3.65Å; T585-C813 HydrophobicContact CG2-CB 4.49Å; T585-C813 WeakPolarHBondContact CG2-SG 3.28Å
586	A	92.8	Very high	91.9	Very high	27 Å²	27	58.5 Å²	58.5	22%	0.223	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-43.6	170.5	0	0	0	0	0	111.6	L582 I583 F589 A590 L610	L582-A586 WeakPolarHBondContact O-CB 3.45Å; L582-A586 PolarHBondContact O-N 3.49Å; I583-A586 WeakPolarHBondContact O-CB 3.49Å; I583-A586 PolarHBondContact O-N 3.21Å; A586-F589 PolarHBondContact O-N 3.17Å; A586-A590 WeakPolarHBondContact O-CB 3.4Å; A586-A590 PolarHBondContact O-N 2.79Å; A586-L610 HydrophobicContact CB-CB 4.44Å; A586-L610 HydrophobicContact CB-CD1 3.93Å
587	G	93.5	Very high	91.3	Very high	42 Å²	42	56 Å²	56	43%	0.433	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-44.4	174.3	0	0	0	0	0	112.8	I583 G584 F589 A590 W591	I583-G587 PolarHBondContact O-N 3.45Å; G584-G587 PolarHBondContact O-N 2.95Å; G587-F589 PolarHBondContact O-N 3.28Å; G587-A590 PolarHBondContact O-N 2.85Å; G587-W591 WeakPolarHBondContact O-CB 3.1Å; G587-W591 PolarHBondContact O-N 2.93Å
588	L	92.4	Very high	90.6	Very high	23 Å²	23	51 Å²	51	12%	0.12	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-45.1	176.2	-179.4	64.5	0	0	0	111.7	G584 T585 W591 R592 C813 I816 L817	G584-L588 WeakPolarHBondContact O-CB 3.32Å; G584-L588 PolarHBondContact O-N 3.48Å; T585-L588 PolarHBondContact O-N 3.18Å; L588-W591 HydrophobicContact CD1-CE3 4.25Å; L588-W591 PolarHBondContact O-N 3.42Å; L588-R592 PolarHBondContact O-N 2.94Å; L588-C813 HydrophobicContact CD2-CB 4.3Å; L588-I816 HydrophobicContact CD1-CG2 3.95Å; L588-I816 HydrophobicContact CD2-CB 4.44Å; L588-I816 HydrophobicContact CD2-CG2 4.09Å; L588-I816 HydrophobicContact CG-CG2 4.07Å; L588-L817 HydrophobicContact CD1-CD2 3.8Å; L588-L817 HydrophobicContact CD1-CG 4.5Å; L588-L817 HydrophobicContact CD2-CD1 3.99Å; L588-L817 HydrophobicContact CD2-CD2 4.06Å; L588-L817 HydrophobicContact CD2-CG 3.87Å
589	F	92	Very high	89.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-70	-33.9	179.7	-80.9	28	0	0	0	111.8	T585 A586 G587 R592 L593 V598 A601 C606 F607 L610 F809 K812 I816	T585-F589 WeakPolarHBondContact O-CB 3.49Å; T585-F589 WeakPolarHBondContact O-CD1 3.12Å; T585-F589 PolarHBondContact O-N 2.89Å; A586-F589 PolarHBondContact O-N 3.17Å; G587-F589 PolarHBondContact O-N 3.28Å; F589-R592 CarbonylContact O-C 3.55Å; F589-R592 PolarHBondContact O-N 3.32Å; F589-L593 WeakPolarHBondContact O-CA 3.12Å; F589-L593 PolarHBondContact O-N 3.13Å; F589-V598 HydrophobicContact CB-CG1 4.29Å; F589-V598 HydrophobicContact CB-CG2 4.25Å; F589-V598 HydrophobicContact CD1-CG2 4.14Å; F589-V598 HydrophobicContact CD2-CG1 4.14Å; F589-V598 HydrophobicContact CD2-CG2 4.2Å; F589-V598 HydrophobicContact CG-CG1 4.37Å; F589-V598 HydrophobicContact CG-CG2 3.93Å; F589-A601 HydrophobicContact CE2-CB 4.39Å; F589-C606 HydrophobicContact CD2-CB 4.05Å; F589-C606 HydrophobicContact CE2-CB 4.33Å; F589-F607 HydrophobicContact CB-CE1 4.28Å; F589-F607 HydrophobicContact CB-CZ 4.16Å; F589-L610 HydrophobicContact CD2-CD1 4.46Å; F589-F809 AromaticContact CE2-CD1 3.79Å; F589-F809 HydrophobicContact CE2-CD1 3.79Å; F589-F809 HydrophobicContact CE2-CE1 4.03Å; F589-F809 HydrophobicContact CZ-CD1 4.01Å; F589-K812 HydrophobicContact CE1-CB 4.37Å; F589-K812 HydrophobicContact CZ-CB 3.77Å; F589-K812 HydrophobicContact CZ-CD 4.22Å; F589-I816 HydrophobicContact CD1-CD1 3.89Å; F589-I816 HydrophobicContact CE1-CD1 3.58Å; F589-I816 HydrophobicContact CZ-CD1 4.39Å
590	A	89.7	Confident	88.8	Confident	55 Å²	55	58.7 Å²	58.7	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-65	-42.9	172.2	0	0	0	0	0	111.3	A586 G587 R592 L593 F607	A586-A590 WeakPolarHBondContact O-CB 3.4Å; A586-A590 PolarHBondContact O-N 2.79Å; G587-A590 PolarHBondContact O-N 2.85Å; A590-R592 VanDerWaalsContact C-N 3.34Å; A590-R592 PolarHBondContact O-N 3.04Å; A590-L593 WeakPolarHBondContact O-CB 3.21Å; A590-F607 HydrophobicContact CB-CE1 4.03Å; A590-F607 HydrophobicContact CB-CZ 4.26Å
591	W	89.9	Confident	87.8	Confident	178 Å²	178	53.4 Å²	53.4	67%	0.674	28%	0.283	S	S	*	.	H	α-helix	trans	-66.9	-34.7	177.3	-175.8	43	0	0	0	112.9	G587 L588	G587-W591 WeakPolarHBondContact O-CB 3.1Å; G587-W591 PolarHBondContact O-N 2.93Å; L588-W591 HydrophobicContact CD1-CE3 4.25Å; L588-W591 PolarHBondContact O-N 3.42Å
592	R	86.5	Confident	86.8	Confident	101 Å²	101	50 Å²	50	38%	0.381	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	29.7	179.9	-64.1	-60.8	-167.3	-141.6	3.5	113.3	L588 F589 A590 H594 T595 I816	L588-R592 PolarHBondContact O-N 2.94Å; F589-R592 CarbonylContact O-C 3.55Å; F589-R592 PolarHBondContact O-N 3.32Å; A590-R592 VanDerWaalsContact C-N 3.34Å; A590-R592 PolarHBondContact O-N 3.04Å; R592-H594 PolarHBondContact O-N 3.25Å; R592-H594 VanDerWaalsContact O-N 3.09Å; R592-T595 HydrophobicContact CB-CG2 3.81Å; R592-T595 HydrophobicContact CG-CG2 4.45Å; R592-T595 WeakPolarHBondContact O-CB 3.23Å; R592-T595 WeakPolarHBondContact O-CG2 3.43Å; R592-T595 PolarHBondContact O-N 3.25Å; R592-T595 PolarHBondContact O-OG1 2.91Å; R592-I816 HydrophobicContact CB-CG2 4.41Å; R592-I816 HydrophobicContact CG-CG2 3.97Å
593	L	80.8	Confident	86.1	Confident	70 Å²	70	50.8 Å²	50.8	37%	0.366	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-34.5	-170.8	-175.8	66.7	0	0	0	114.4	F589 A590 T595 V598 F607	F589-L593 WeakPolarHBondContact O-CA 3.12Å; F589-L593 PolarHBondContact O-N 3.13Å; A590-L593 WeakPolarHBondContact O-CB 3.21Å; L593-T595 VanDerWaalsContact C-N 3.3Å; L593-V598 HydrophobicContact CD1-CG1 4.34Å; L593-F607 HydrophobicContact CD1-CE2 3.52Å; L593-F607 HydrophobicContact CD1-CZ 3.82Å
594	H	80.6	Confident	85.4	Confident	147 Å²	147	57.2 Å²	57.2	68%	0.681	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.9	-178	-61.1	-53	0	0	0	114.1	R592	R592-H594 PolarHBondContact O-N 3.25Å; R592-H594 VanDerWaalsContact O-N 3.09Å
595	T	84.2	Confident	85	Confident	24 Å²	24	56.6 Å²	56.6	15%	0.147	28%	0.28	C	S	.	.	S	Bend	trans	-72	144.9	-179.3	63.5	0	0	0	0	111.8	R592 L593 V597 V598 R599 N823	R592-T595 HydrophobicContact CB-CG2 3.81Å; R592-T595 HydrophobicContact CG-CG2 4.45Å; R592-T595 WeakPolarHBondContact O-CB 3.23Å; R592-T595 WeakPolarHBondContact O-CG2 3.43Å; R592-T595 PolarHBondContact O-N 3.25Å; R592-T595 PolarHBondContact O-OG1 2.91Å; L593-T595 VanDerWaalsContact C-N 3.3Å; T595-V597 PolarHBondContact O-N 3.07Å; T595-V598 PolarHBondContact O-N 2.83Å; T595-V598 WeakPolarHBondContact OG1-CG2 3.42Å; T595-R599 PolarHBondContact O-N 2.55Å; T595-R599 VanDerWaalsContact O-N 3.16Å; T595-N823 WeakPolarHBondContact CB-ND2 3.25Å; T595-N823 WeakPolarHBondContact CB-OD1 3.34Å; T595-N823 WeakPolarHBondContact CG2-ND2 3.2Å
596	P	81.5	Confident	84.9	Confident	26 Å²	26	56 Å²	56	17%	0.169	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-32.3	-178.8	22.3	-32.1	0	0	0	112.3	R599 S600 N823 T825 F828	P596-R599 PolarHBondContact O-N 3.05Å; P596-S600 WeakPolarHBondContact O-CB 3.39Å; P596-S600 PolarHBondContact O-N 3.48Å; P596-S600 PolarHBondContact O-OG 3.26Å; P596-N823 WeakPolarHBondContact CD-O 3.38Å; P596-N823 VanDerWaalsContact CD-OD1 3.29Å; P596-N823 WeakPolarHBondContact CD-OD1 3.25Å; P596-N823 VanDerWaalsContact CG-O 3.31Å; P596-N823 WeakPolarHBondContact CG-O 3.2Å; P596-N823 WeakPolarHBondContact CG-OD1 3.47Å; P596-T825 HydrophobicContact CB-CG2 4.19Å; P596-T825 HydrophobicContact CG-CG2 4.48Å; P596-F828 HydrophobicContact CB-CD2 4.02Å; P596-F828 HydrophobicContact CB-CE2 4.13Å; P596-F828 HydrophobicContact CG-CD2 4.39Å; P596-F828 HydrophobicContact CG-CE2 4.39Å
597	V	83.1	Confident	84.8	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.024	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-44.1	175.5	173	0	0	0	0	112.3	T595 R599 S600 A601 K812 V815 I816 N823 F828	T595-V597 PolarHBondContact O-N 3.07Å; V597-R599 VanDerWaalsContact C-N 3.34Å; V597-S600 WeakPolarHBondContact CA-OG 3.43Å; V597-S600 PolarHBondContact O-N 3.18Å; V597-S600 PolarHBondContact O-OG 3.12Å; V597-A601 VanDerWaalsContact O-CB 3.24Å; V597-A601 WeakPolarHBondContact O-CB 3.42Å; V597-A601 PolarHBondContact O-N 3.03Å; V597-K812 HydrophobicContact CG1-CB 3.99Å; V597-K812 HydrophobicContact CG1-CG 4.08Å; V597-V815 HydrophobicContact CG2-CG1 3.71Å; V597-I816 HydrophobicContact CB-CG1 4.25Å; V597-I816 HydrophobicContact CG1-CD1 4.01Å; V597-I816 HydrophobicContact CG1-CG1 3.96Å; V597-N823 WeakPolarHBondContact CB-OD1 3.18Å; V597-N823 HydrophobicContact CG2-CB 4.05Å; V597-N823 WeakPolarHBondContact CG2-OD1 3.32Å; V597-N823 PolarHBondContact N-OD1 2.87Å; V597-F828 HydrophobicContact CG2-CE2 3.79Å; V597-F828 HydrophobicContact CG2-CZ 3.87Å
598	V	84.1	Confident	84.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-70.4	-34.8	178.9	177.3	0	0	0	0	111	F589 L593 T595 A601 G603 I816	F589-V598 HydrophobicContact CB-CG1 4.29Å; F589-V598 HydrophobicContact CB-CG2 4.25Å; F589-V598 HydrophobicContact CD1-CG2 4.14Å; F589-V598 HydrophobicContact CD2-CG1 4.14Å; F589-V598 HydrophobicContact CD2-CG2 4.2Å; F589-V598 HydrophobicContact CG-CG1 4.37Å; F589-V598 HydrophobicContact CG-CG2 3.93Å; L593-V598 HydrophobicContact CD1-CG1 4.34Å; T595-V598 PolarHBondContact O-N 2.83Å; T595-V598 WeakPolarHBondContact OG1-CG2 3.42Å; V598-A601 WeakPolarHBondContact O-CB 3.46Å; V598-A601 PolarHBondContact O-N 3.31Å; V598-G603 WeakPolarHBondContact O-CA 3.36Å; V598-G603 PolarHBondContact O-N 3.22Å; V598-I816 HydrophobicContact CG2-CD1 3.84Å
599	R	80.9	Confident	84.9	Confident	160 Å²	160	58.5 Å²	58.5	60%	0.604	27%	0.273	S	S	*	.	H	α-helix	trans	-68.1	-43.6	174.6	-72.1	-178.4	173.7	174.4	-1.6	112.1	T595 P596 V597 A601 G602 G603	T595-R599 PolarHBondContact O-N 2.55Å; T595-R599 VanDerWaalsContact O-N 3.16Å; P596-R599 PolarHBondContact O-N 3.05Å; V597-R599 VanDerWaalsContact C-N 3.34Å; R599-A601 VanDerWaalsContact C-N 3.27Å; R599-A601 PolarHBondContact O-N 3.29Å; R599-G602 PolarHBondContact O-N 3.39Å; R599-G602 VanDerWaalsContact O-N 3.07Å; R599-G603 PolarHBondContact O-N 2.98Å
600	S	76.2	Confident	85.1	Confident	37 Å²	37	58.6 Å²	58.6	26%	0.259	27%	0.273	S	S	.	.	H	α-helix	trans	-66.2	-32.5	176.8	70.3	0	0	0	0	111.7	P596 V597 G602	P596-S600 WeakPolarHBondContact O-CB 3.39Å; P596-S600 PolarHBondContact O-N 3.48Å; P596-S600 PolarHBondContact O-OG 3.26Å; V597-S600 WeakPolarHBondContact CA-OG 3.43Å; V597-S600 PolarHBondContact O-N 3.18Å; V597-S600 PolarHBondContact O-OG 3.12Å; S600-G602 PolarHBondContact O-N 3.36Å; S600-G602 VanDerWaalsContact O-N 3.07Å
601	A	75.4	Confident	85.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-6.7	171.9	0	0	0	0	0	114.5	F589 V597 V598 R599 C606 Y808 K812	F589-A601 HydrophobicContact CE2-CB 4.39Å; V597-A601 VanDerWaalsContact O-CB 3.24Å; V597-A601 WeakPolarHBondContact O-CB 3.42Å; V597-A601 PolarHBondContact O-N 3.03Å; V598-A601 WeakPolarHBondContact O-CB 3.46Å; V598-A601 PolarHBondContact O-N 3.31Å; R599-A601 VanDerWaalsContact C-N 3.27Å; R599-A601 PolarHBondContact O-N 3.29Å; A601-C606 WeakPolarHBondContact CB-SG 3.48Å; A601-C606 PolarHBondContact O-SG 2.89Å; A601-Y808 PolarHBondContact O-OH 2.94Å; A601-K812 HydrophobicContact CB-CD 3.44Å; A601-K812 VanDerWaalsContact CB-CD 3.44Å
602	G	76.5	Confident	85.6	Confident	7 Å²	7	49.8 Å²	49.8	7%	0.072	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.8	6.3	177.6	0	0	0	0	0	114.5	R599 S600 R604 L605 R653	R599-G602 PolarHBondContact O-N 3.39Å; R599-G602 VanDerWaalsContact O-N 3.07Å; S600-G602 PolarHBondContact O-N 3.36Å; S600-G602 VanDerWaalsContact O-N 3.07Å; G602-R604 PolarHBondContact O-N 3.43Å; G602-R604 VanDerWaalsContact O-N 3.16Å; G602-L605 PolarHBondContact O-N 3.38Å; G602-L605 VanDerWaalsContact O-N 3.17Å; G602-R653 PolarHBondContact O-NH2 2.82Å
603	G	81.6	Confident	86.1	Confident	17 Å²	17	45 Å²	45	18%	0.175	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-116.3	174.2	0	0	0	0	0	112.1	V598 R599 L605 C606	V598-G603 WeakPolarHBondContact O-CA 3.36Å; V598-G603 PolarHBondContact O-N 3.22Å; R599-G603 PolarHBondContact O-N 2.98Å; G603-L605 PolarHBondContact O-N 3.37Å; G603-C606 WeakPolarHBondContact O-CB 3.49Å; G603-C606 PolarHBondContact O-N 3.5Å; G603-C606 VanDerWaalsContact O-N 3.1Å
604	R	82.8	Confident	86.9	Confident	229 Å²	229	43.3 Å²	43.3	86%	0.864	22%	0.216	S	C	*	.	H	α-helix	trans	-59.8	-30.7	-178.9	-67.5	-175.4	-178.8	179.5	0.4	113.6	G602 C606 F607	G602-R604 PolarHBondContact O-N 3.43Å; G602-R604 VanDerWaalsContact O-N 3.16Å; R604-C606 PolarHBondContact O-N 3.31Å; R604-F607 PolarHBondContact O-N 2.91Å
605	L	87.1	Confident	87.6	Confident	30 Å²	30	37.7 Å²	37.7	16%	0.157	20%	0.195	C	C	.	.	H	α-helix	trans	-68	-22.5	178.5	-68.7	-177.4	0	0	0	112.9	G602 G603 F607 L608 M609 R653	G602-L605 PolarHBondContact O-N 3.38Å; G602-L605 VanDerWaalsContact O-N 3.17Å; G603-L605 PolarHBondContact O-N 3.37Å; L605-F607 VanDerWaalsContact C-N 3.31Å; L605-F607 PolarHBondContact O-N 3.2Å; L605-L608 HydrophobicContact CD2-CD2 4.15Å; L605-L608 PolarHBondContact O-N 2.74Å; L605-M609 WeakPolarHBondContact O-CG 3.43Å; L605-M609 PolarHBondContact O-N 3.17Å; L605-R653 VanDerWaalsContact CD1-NH2 3.33Å
606	C	90.6	Very high	88.2	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-41.4	173.4	-82	0	0	0	0	112.2	F589 A601 G603 R604 L608 M609 L610 F809	F589-C606 HydrophobicContact CD2-CB 4.05Å; F589-C606 HydrophobicContact CE2-CB 4.33Å; A601-C606 WeakPolarHBondContact CB-SG 3.48Å; A601-C606 PolarHBondContact O-SG 2.89Å; G603-C606 WeakPolarHBondContact O-CB 3.49Å; G603-C606 PolarHBondContact O-N 3.5Å; G603-C606 VanDerWaalsContact O-N 3.1Å; R604-C606 PolarHBondContact O-N 3.31Å; C606-L608 VanDerWaalsContact C-N 3.31Å; C606-L608 PolarHBondContact O-N 3.04Å; C606-M609 HydrophobicContact CB-CE 4.46Å; C606-M609 PolarHBondContact O-N 3.44Å; C606-L610 WeakPolarHBondContact O-CB 3.33Å; C606-L610 WeakPolarHBondContact O-CG 3.48Å; C606-L610 PolarHBondContact O-N 3.36Å; C606-F809 HydrophobicContact CB-CE1 4.22Å
607	F	92.3	Very high	88.9	Confident	70 Å²	70	35.3 Å²	35.3	31%	0.307	18%	0.18	S	C	.	.	H	α-helix	trans	-68.4	-33.8	178.1	-62.4	-77.2	0	0	0	111.8	F589 A590 L593 R604 L605 G611	F589-F607 HydrophobicContact CB-CE1 4.28Å; F589-F607 HydrophobicContact CB-CZ 4.16Å; A590-F607 HydrophobicContact CB-CE1 4.03Å; A590-F607 HydrophobicContact CB-CZ 4.26Å; L593-F607 HydrophobicContact CD1-CE2 3.52Å; L593-F607 HydrophobicContact CD1-CZ 3.82Å; R604-F607 PolarHBondContact O-N 2.91Å; L605-F607 VanDerWaalsContact C-N 3.31Å; L605-F607 PolarHBondContact O-N 3.2Å; F607-G611 PolarHBondContact O-N 3Å
608	L	93.1	Very high	89.5	Confident	74 Å²	74	37.8 Å²	37.8	39%	0.387	20%	0.197	S	C	.	.	H	α-helix	trans	-65.4	-46.1	172.6	-177.5	61.7	0	0	0	111.3	L605 C606 G611 S612 I645 V684	L605-L608 HydrophobicContact CD2-CD2 4.15Å; L605-L608 PolarHBondContact O-N 2.74Å; C606-L608 VanDerWaalsContact C-N 3.31Å; C606-L608 PolarHBondContact O-N 3.04Å; L608-G611 PolarHBondContact O-N 3.02Å; L608-S612 WeakPolarHBondContact O-CB 3.35Å; L608-S612 PolarHBondContact O-N 2.98Å; L608-S612 PolarHBondContact O-OG 3.07Å; L608-I645 HydrophobicContact CD1-CG2 4.04Å; L608-I645 HydrophobicContact CD2-CG2 4.22Å; L608-I645 HydrophobicContact CG-CG2 3.88Å; L608-V684 HydrophobicContact CD2-CG1 3.95Å
609	M	93.8	Very high	90.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-46.8	176.2	-76.3	-174.8	-65.4	0	0	112.5	L605 C606 S612 L613 F646 C649 L650 Y808 F809	L605-M609 WeakPolarHBondContact O-CG 3.43Å; L605-M609 PolarHBondContact O-N 3.17Å; C606-M609 HydrophobicContact CB-CE 4.46Å; C606-M609 PolarHBondContact O-N 3.44Å; M609-S612 PolarHBondContact O-N 3.48Å; M609-S612 PolarHBondContact O-OG 2.56Å; M609-S612 VanDerWaalsContact O-OG 3.09Å; M609-L613 WeakPolarHBondContact O-CG 3.28Å; M609-L613 PolarHBondContact O-N 3.43Å; M609-F646 HydrophobicContact CB-CD2 3.95Å; M609-F646 HydrophobicContact CB-CE2 4.46Å; M609-F646 HydrophobicContact CG-CD2 4.06Å; M609-F646 HydrophobicContact SD-CD2 4.44Å; M609-F646 HydrophobicContact SD-CE2 4.49Å; M609-C649 HydrophobicContact CG-CB 3.29Å; M609-C649 HydrophobicContact SD-CB 3.59Å; M609-C649 VanDerWaalsContact SD-CB 3.59Å; M609-L650 HydrophobicContact SD-CD2 3.87Å; M609-L650 HydrophobicContact SD-CG 4.3Å; M609-Y808 HydrophobicContact CE-CD1 4.23Å; M609-Y808 HydrophobicContact CE-CE1 3.43Å; M609-Y808 VanDerWaalsContact CE-CE1 3.43Å; M609-Y808 HydrophobicContact SD-CD1 4.44Å; M609-Y808 HydrophobicContact SD-CE1 4.04Å; M609-F809 HydrophobicContact CB-CE2 4.18Å; M609-F809 HydrophobicContact CB-CZ 3.68Å; M609-F809 HydrophobicContact CE-CZ 4.07Å; M609-F809 HydrophobicContact SD-CZ 4.48Å
610	L	95.4	Very high	90.8	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-65	-43.7	177	-72.8	168.6	0	0	0	110.9	L582 T585 A586 F589 C606 S612 L613 V614 F809	L582-L610 HydrophobicContact CD2-CD2 3.98Å; T585-L610 WeakPolarHBondContact OG1-CD2 3.47Å; A586-L610 HydrophobicContact CB-CB 4.44Å; A586-L610 HydrophobicContact CB-CD1 3.93Å; F589-L610 HydrophobicContact CD2-CD1 4.46Å; C606-L610 WeakPolarHBondContact O-CB 3.33Å; C606-L610 WeakPolarHBondContact O-CG 3.48Å; C606-L610 PolarHBondContact O-N 3.36Å; L610-S612 VanDerWaalsContact C-N 3.31Å; L610-S612 PolarHBondContact O-N 3.03Å; L610-L613 PolarHBondContact O-N 3.07Å; L610-V614 WeakPolarHBondContact O-CB 3.22Å; L610-V614 VanDerWaalsContact O-CG2 3.3Å; L610-V614 WeakPolarHBondContact O-CG2 3.08Å; L610-V614 PolarHBondContact O-N 3.4Å; L610-F809 HydrophobicContact CD1-CD1 4.37Å; L610-F809 HydrophobicContact CD1-CE1 4.04Å; L610-F809 HydrophobicContact CD1-CZ 4.42Å; L610-F809 HydrophobicContact CD2-CD1 4.01Å; L610-F809 HydrophobicContact CD2-CD2 3.78Å; L610-F809 HydrophobicContact CD2-CE1 3.96Å; L610-F809 HydrophobicContact CD2-CE2 3.71Å; L610-F809 HydrophobicContact CD2-CG 3.92Å; L610-F809 HydrophobicContact CD2-CZ 3.81Å; L610-F809 HydrophobicContact CG-CD1 4.23Å; L610-F809 HydrophobicContact CG-CE1 3.74Å; L610-F809 HydrophobicContact CG-CE2 4.03Å; L610-F809 HydrophobicContact CG-CZ 3.62Å
611	G	95.4	Very high	91.7	Very high	40 Å²	40	31.1 Å²	31.1	41%	0.412	17%	0.166	S	C	.	.	H	α-helix	trans	-61.5	-37.9	176.3	0	0	0	0	0	112.9	F607 L608 V614 A615	F607-G611 PolarHBondContact O-N 3Å; L608-G611 PolarHBondContact O-N 3.02Å; G611-V614 PolarHBondContact O-N 2.84Å; G611-A615 PolarHBondContact O-N 3.03Å
612	S	96.3	Very high	92.5	Very high	7 Å²	7	32.2 Å²	32.2	5%	0.049	17%	0.174	C	C	.	.	H	α-helix	trans	-74.4	-34.2	178.1	80.9	0	0	0	0	112.6	L608 M609 L610 A615 G616 G642 F646	L608-S612 WeakPolarHBondContact O-CB 3.35Å; L608-S612 PolarHBondContact O-N 2.98Å; L608-S612 PolarHBondContact O-OG 3.07Å; M609-S612 PolarHBondContact O-N 3.48Å; M609-S612 PolarHBondContact O-OG 2.56Å; M609-S612 VanDerWaalsContact O-OG 3.09Å; L610-S612 VanDerWaalsContact C-N 3.31Å; L610-S612 PolarHBondContact O-N 3.03Å; S612-A615 PolarHBondContact O-N 3.44Å; S612-G616 PolarHBondContact O-N 2.96Å; S612-G642 WeakPolarHBondContact CB-O 3.25Å; S612-G642 WeakPolarHBondContact O-CA 3.41Å; S612-G642 PolarHBondContact OG-O 3.39Å; S612-F646 WeakPolarHBondContact OG-CB 3.31Å; S612-F646 PolarHBondContact OG-N 2.57Å
613	L	96.5	Very high	93.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-38.7	169.1	-70	178	0	0	0	112.1	L582 M609 L610 G616 S617 F646 L801 F809	L582-L613 HydrophobicContact CD1-CB 3.89Å; L582-L613 HydrophobicContact CD2-CB 3.79Å; L582-L613 HydrophobicContact CD2-CD1 3.79Å; L582-L613 HydrophobicContact CD2-CG 4.47Å; M609-L613 WeakPolarHBondContact O-CG 3.28Å; M609-L613 PolarHBondContact O-N 3.43Å; L610-L613 PolarHBondContact O-N 3.07Å; L613-G616 PolarHBondContact O-N 3.02Å; L613-S617 PolarHBondContact O-N 2.84Å; L613-F646 HydrophobicContact CD1-CD2 3.9Å; L613-F646 HydrophobicContact CD1-CE2 3.75Å; L613-F646 HydrophobicContact CD1-CZ 4.26Å; L613-F646 HydrophobicContact CD2-CB 4.21Å; L613-F646 HydrophobicContact CD2-CD1 3.98Å; L613-F646 HydrophobicContact CD2-CD2 3.95Å; L613-F646 HydrophobicContact CD2-CE1 4.28Å; L613-F646 HydrophobicContact CD2-CE2 4.28Å; L613-F646 HydrophobicContact CD2-CG 3.78Å; L613-F646 HydrophobicContact CD2-CZ 4.4Å; L613-F646 HydrophobicContact CG-CB 4.48Å; L613-F646 HydrophobicContact CG-CD2 3.8Å; L613-F646 HydrophobicContact CG-CE2 4.16Å; L613-F646 HydrophobicContact CG-CG 4.1Å; L613-L801 HydrophobicContact CD2-CD2 3.6Å; L613-F809 HydrophobicContact CD1-CD2 4.29Å; L613-F809 HydrophobicContact CD1-CE2 3.96Å
614	V	97.6	Very high	93.8	Very high	36 Å²	36	32 Å²	32	22%	0.218	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-47	172.8	165	0	0	0	0	110.2	L579 L582 I583 L610 G611 G616 S617 C618	L579-V614 HydrophobicContact CD1-CB 4.41Å; L579-V614 HydrophobicContact CD1-CG1 3.88Å; L579-V614 HydrophobicContact CD1-CG2 4.29Å; L582-V614 HydrophobicContact CB-CG2 3.69Å; L582-V614 HydrophobicContact CD1-CG2 4.25Å; I583-V614 HydrophobicContact CG1-CG2 4.29Å; L610-V614 WeakPolarHBondContact O-CB 3.22Å; L610-V614 VanDerWaalsContact O-CG2 3.3Å; L610-V614 WeakPolarHBondContact O-CG2 3.08Å; L610-V614 PolarHBondContact O-N 3.4Å; G611-V614 PolarHBondContact O-N 2.84Å; V614-G616 VanDerWaalsContact C-N 3.29Å; V614-G616 PolarHBondContact O-N 3.42Å; V614-S617 PolarHBondContact O-N 3.39Å; V614-S617 VanDerWaalsContact O-N 3.14Å; V614-C618 PolarHBondContact O-N 3.24Å; V614-C618 PolarHBondContact O-SG 2.97Å; V614-C618 VanDerWaalsContact O-SG 3.32Å
615	A	95.8	Very high	94.2	Very high	29 Å²	29	21.2 Å²	21.2	24%	0.24	13%	0.126	C	C	.	.	H	α-helix	trans	-58.2	-41.5	175.2	0	0	0	0	0	112	G611 S612 C618 S619 L638	G611-A615 PolarHBondContact O-N 3.03Å; S612-A615 PolarHBondContact O-N 3.44Å; A615-C618 PolarHBondContact O-N 3.12Å; A615-S619 PolarHBondContact O-N 3.42Å; A615-S619 VanDerWaalsContact O-N 3.08Å; A615-L638 HydrophobicContact CB-CD1 4.26Å
616	G	96.1	Very high	94.3	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-42.2	173.4	0	0	0	0	0	113.4	S612 L613 V614 S619 L620	S612-G616 PolarHBondContact O-N 2.96Å; L613-G616 PolarHBondContact O-N 3.02Å; V614-G616 VanDerWaalsContact C-N 3.29Å; V614-G616 PolarHBondContact O-N 3.42Å; G616-S619 VanDerWaalsContact O-CB 3.27Å; G616-S619 WeakPolarHBondContact O-CB 3.33Å; G616-S619 PolarHBondContact O-N 3.42Å; G616-L620 PolarHBondContact O-N 2.97Å
617	S	96.3	Very high	94.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68.1	-37.8	176.8	176.5	0	0	0	0	112.2	N575 L613 V614 S619 L620	N575-S617 PolarHBondContact ND2-O 3.01Å; N575-S617 PolarHBondContact OD1-OG 3.25Å; L613-S617 PolarHBondContact O-N 2.84Å; V614-S617 PolarHBondContact O-N 3.39Å; V614-S617 VanDerWaalsContact O-N 3.14Å; S617-S619 VanDerWaalsContact C-N 3.28Å; S617-S619 PolarHBondContact O-N 3.25Å; S617-L620 PolarHBondContact O-N 3.34Å
618	C	96.4	Very high	94.2	Very high	55 Å²	55	26.5 Å²	26.5	37%	0.372	16%	0.155	S	C	.	.	H	α-helix	trans	-60.8	-37.7	173.1	-72.1	0	0	0	0	112.1	V614 A615 L620 Y621	V614-C618 PolarHBondContact O-N 3.24Å; V614-C618 PolarHBondContact O-SG 2.97Å; V614-C618 VanDerWaalsContact O-SG 3.32Å; A615-C618 PolarHBondContact O-N 3.12Å; C618-L620 VanDerWaalsContact C-N 3.28Å; C618-L620 PolarHBondContact O-N 3.3Å; C618-Y621 PolarHBondContact O-N 3.26Å
619	S	95.7	Very high	94.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60	-35.8	177.1	-174.7	0	0	0	0	112.6	A615 G616 S617 Y621 S622 L634 R635 F639	A615-S619 PolarHBondContact O-N 3.42Å; A615-S619 VanDerWaalsContact O-N 3.08Å; G616-S619 VanDerWaalsContact O-CB 3.27Å; G616-S619 WeakPolarHBondContact O-CB 3.33Å; G616-S619 PolarHBondContact O-N 3.42Å; S617-S619 VanDerWaalsContact C-N 3.28Å; S617-S619 PolarHBondContact O-N 3.25Å; S619-Y621 VanDerWaalsContact C-N 3.28Å; S619-Y621 PolarHBondContact O-N 3.23Å; S619-S622 VanDerWaalsContact O-CB 3.26Å; S619-S622 WeakPolarHBondContact O-CB 3.3Å; S619-S622 PolarHBondContact O-N 3.03Å; S619-S622 PolarHBondContact O-OG 3.44Å; S619-L634 PolarHBondContact OG-O 2.84Å; S619-R635 VanDerWaalsContact OG-C 3.29Å; S619-R635 PolarHBondContact OG-O 2.74Å; S619-F639 PolarHBondContact OG-N 2.6Å
620	L	95.8	Very high	93.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-63.5	-27.6	-179.8	-62.9	-175.4	0	0	0	113.9	G616 S617 C618 S622 F623 F639 V794 L798 L801	G616-L620 PolarHBondContact O-N 2.97Å; S617-L620 PolarHBondContact O-N 3.34Å; C618-L620 VanDerWaalsContact C-N 3.28Å; C618-L620 PolarHBondContact O-N 3.3Å; L620-S622 PolarHBondContact O-N 2.87Å; L620-F623 HydrophobicContact CD2-CE2 4.25Å; L620-F623 PolarHBondContact O-N 3.4Å; L620-F639 HydrophobicContact CD2-CD2 3.94Å; L620-F639 HydrophobicContact CD2-CE2 4.2Å; L620-F639 HydrophobicContact CG-CD2 4.42Å; L620-V794 HydrophobicContact CB-CG1 4.49Å; L620-L798 HydrophobicContact CD1-CB 4.23Å; L620-L801 HydrophobicContact CD1-CD1 4.01Å
621	Y	95	Very high	93.8	Very high	56 Å²	56	31.2 Å²	31.2	22%	0.22	19%	0.19	C	C	.	.	H	α-helix	trans	-64.9	-26.9	173.9	-68.7	-77.9	0	0	0	112.8	L572 N575 T576 L579 C618 S619 F623 F624	L572-Y621 HydrophobicContact CD2-CD1 3.55Å; L572-Y621 HydrophobicContact CD2-CE1 3.79Å; N575-Y621 WeakPolarHBondContact ND2-CE2 3.4Å; T576-Y621 VanDerWaalsContact CA-OH 3.3Å; T576-Y621 WeakPolarHBondContact CA-OH 3.4Å; T576-Y621 PolarHBondContact OG1-OH 3.13Å; T576-Y621 VanDerWaalsContact OG1-OH 3.05Å; L579-Y621 HydrophobicContact CD2-CE2 4.1Å; C618-Y621 PolarHBondContact O-N 3.26Å; S619-Y621 VanDerWaalsContact C-N 3.28Å; S619-Y621 PolarHBondContact O-N 3.23Å; Y621-F623 PolarHBondContact O-N 3.03Å; Y621-F623 VanDerWaalsContact O-N 3.15Å; Y621-F624 PolarHBondContact O-N 2.89Å
622	S	92.9	Very high	93.6	Very high	23 Å²	23	29.4 Å²	29.4	16%	0.161	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.9	-176.9	-58.4	0	0	0	0	112.3	S619 L620 R635	S619-S622 VanDerWaalsContact O-CB 3.26Å; S619-S622 WeakPolarHBondContact O-CB 3.3Å; S619-S622 PolarHBondContact O-N 3.03Å; S619-S622 PolarHBondContact O-OG 3.44Å; L620-S622 PolarHBondContact O-N 2.87Å; S622-R635 PolarHBondContact O-NE 3.09Å; S622-R635 PolarHBondContact O-NH2 3.39Å
623	F	92.5	Very high	93.4	Very high	12 Å²	12	31.7 Å²	31.7	5%	0.053	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-24.7	178.9	-76	-95.2	0	0	0	114.1	L620 Y621 R635 P790 N793 V794	L620-F623 HydrophobicContact CD2-CE2 4.25Å; L620-F623 PolarHBondContact O-N 3.4Å; Y621-F623 PolarHBondContact O-N 3.03Å; Y621-F623 VanDerWaalsContact O-N 3.15Å; F623-R635 HydrophobicContact CD1-CG 4.21Å; F623-R635 HydrophobicContact CD2-CB 4.23Å; F623-R635 HydrophobicContact CD2-CG 3.83Å; F623-R635 HydrophobicContact CE1-CB 4.29Å; F623-R635 HydrophobicContact CE1-CG 4.28Å; F623-R635 HydrophobicContact CE2-CB 3.8Å; F623-R635 HydrophobicContact CE2-CG 3.92Å; F623-R635 WeakPolarHBondContact CE2-O 3.48Å; F623-R635 HydrophobicContact CG-CG 3.99Å; F623-R635 HydrophobicContact CZ-CB 3.83Å; F623-R635 HydrophobicContact CZ-CG 4.15Å; F623-R635 PolarHBondContact O-NH2 3.27Å; F623-R635 VanDerWaalsContact O-NH2 3.16Å; F623-P790 HydrophobicContact CD1-CB 4.23Å; F623-N793 HydrophobicContact CE1-CB 4.15Å; F623-N793 WeakPolarHBondContact CE1-ND2 3.45Å; F623-V794 HydrophobicContact CB-CG2 3.45Å; F623-V794 VanDerWaalsContact CB-CG2 3.45Å; F623-V794 HydrophobicContact CD1-CG2 4.02Å; F623-V794 HydrophobicContact CD2-CG2 3.81Å; F623-V794 HydrophobicContact CG-CG2 3.48Å; F623-V794 VanDerWaalsContact CG-CG2 3.48Å
624	F	92.8	Very high	93.1	Very high	7 Å²	7	35.5 Å²	35.5	3%	0.031	20%	0.203	C	C	.	.	S	Bend	trans	-88.7	147.3	-174.2	-60.4	-80.5	0	0	0	112.5	L561 W563 L571 L572 Y621 V794	L561-F624 HydrophobicContact CD2-CD1 3.7Å; L561-F624 HydrophobicContact CD2-CE1 3.56Å; L561-F624 HydrophobicContact CD2-CZ 4.43Å; L561-F624 HydrophobicContact CG-CD1 3.94Å; L561-F624 HydrophobicContact CG-CE1 4.12Å; W563-F624 HydrophobicContact CD2-CB 3.96Å; W563-F624 HydrophobicContact CE3-CB 3.98Å; W563-F624 HydrophobicContact CH2-CB 4.15Å; W563-F624 HydrophobicContact CZ2-CB 4.14Å; W563-F624 HydrophobicContact CZ3-CB 4.08Å; L571-F624 HydrophobicContact CB-CE1 4.32Å; L571-F624 HydrophobicContact CB-CZ 3.73Å; L571-F624 HydrophobicContact CD1-CE1 4.44Å; L571-F624 HydrophobicContact CD1-CZ 4.24Å; L572-F624 HydrophobicContact CD1-CD1 4.47Å; L572-F624 HydrophobicContact CD1-CG 4.39Å; L572-F624 HydrophobicContact CD2-CD2 3.62Å; L572-F624 HydrophobicContact CD2-CE2 3.79Å; L572-F624 HydrophobicContact CD2-CG 4.16Å; L572-F624 HydrophobicContact CD2-CZ 4.45Å; L572-F624 HydrophobicContact CG-CD1 4.42Å; L572-F624 HydrophobicContact CG-CD2 4.05Å; L572-F624 HydrophobicContact CG-CE1 4.38Å; L572-F624 HydrophobicContact CG-CE2 3.99Å; L572-F624 HydrophobicContact CG-CG 4.26Å; L572-F624 HydrophobicContact CG-CZ 4.16Å; Y621-F624 PolarHBondContact O-N 2.89Å; F624-V794 HydrophobicContact CE2-CG1 4.22Å; F624-V794 HydrophobicContact CE2-CG2 4.3Å; F624-V794 HydrophobicContact CZ-CG1 4.01Å; F624-V794 HydrophobicContact CZ-CG2 4.25Å
625	G	90.3	Very high	92.9	Very high	3 Å²	3	34.9 Å²	34.9	3%	0.031	20%	0.196	C	C	.	.	S	Bend	trans	80.4	-177.3	-179.8	0	0	0	0	0	114.2	L561 W563 P627	L561-G625 PolarHBondContact O-N 3.17Å; W563-G625 VanDerWaalsContact NE1-CA 3.29Å; G625-P627 WeakPolarHBondContact O-CD 3.07Å
626	K	89.8	Confident	92.6	Very high	130 Å²	130	34.5 Å²	34.5	57%	0.565	19%	0.189	S	C	*	.	S	Bend	trans	-59	124.7	179.4	-173	173	-178.9	179.7	0	109.6	T628 L719	K626-T628 PolarHBondContact O-N 3.22Å; K626-L719 HydrophobicContact CD-CD1 4.43Å; K626-L719 HydrophobicContact CG-CD1 3.97Å
627	P	89.2	Confident	92.5	Very high	11 Å²	11	34.9 Å²	34.9	7%	0.071	19%	0.192	C	C	.	.			trans	-56.5	124.5	179	-24	32.5	0	0	0	111.1	G625 P706 L719	G625-P627 WeakPolarHBondContact O-CD 3.07Å; P627-P706 HydrophobicContact CB-CB 4.12Å; P627-P706 HydrophobicContact CB-CG 4.34Å; P627-P706 WeakPolarHBondContact O-CG 3.27Å; P627-L719 HydrophobicContact CG-CB 4.11Å
628	T	91	Very high	92.4	Very high	70 Å²	70	37.5 Å²	37.5	43%	0.429	21%	0.206	S	C	.	.			trans	-112.4	158.9	172.2	61.4	0	0	0	0	109.1	K626 A631 C632	K626-T628 PolarHBondContact O-N 3.22Å; T628-A631 PolarHBondContact O-N 3.48Å; T628-A631 VanDerWaalsContact OG1-CB 3.24Å; T628-A631 WeakPolarHBondContact OG1-CB 3.39Å; T628-A631 PolarHBondContact OG1-N 3.29Å; T628-C632 PolarHBondContact O-N 3.18Å
629	V	90.8	Very high	92.4	Very high	80 Å²	80	35.2 Å²	35.2	49%	0.485	19%	0.189	S	C	.	.	H	α-helix	trans	-51.9	-53.4	176.5	179.8	0	0	0	0	112.1	A631 C632 L633 P706	V629-A631 VanDerWaalsContact C-N 3.32Å; V629-A631 PolarHBondContact O-N 3.39Å; V629-C632 PolarHBondContact O-N 3.28Å; V629-L633 HydrophobicContact CG1-CD1 3.98Å; V629-L633 VanDerWaalsContact O-CG 3.29Å; V629-L633 WeakPolarHBondContact O-CG 3.45Å; V629-L633 PolarHBondContact O-N 3.34Å; V629-L633 VanDerWaalsContact O-N 3.14Å; V629-P706 HydrophobicContact CG2-CG 4.36Å
630	P	90.8	Very high	92.3	Very high	79 Å²	79	35.5 Å²	35.5	51%	0.513	19%	0.192	S	C	.	.	H	α-helix	trans	-62.2	-38	178.8	23.9	-34.5	0	0	0	112.8	L633 L634	P630-L633 PolarHBondContact O-N 3.06Å; P630-L634 WeakPolarHBondContact O-CB 3.46Å; P630-L634 VanDerWaalsContact O-CG 3.27Å; P630-L634 WeakPolarHBondContact O-CG 3.42Å; P630-L634 PolarHBondContact O-N 3.3Å; P630-L634 VanDerWaalsContact O-N 3.1Å
631	A	91.9	Very high	92.3	Very high	16 Å²	16	37.1 Å²	37.1	13%	0.132	20%	0.2	C	C	.	.	H	α-helix	trans	-62.9	-46.4	177.1	0	0	0	0	0	111.7	T628 V629 L633 L634 R635	T628-A631 PolarHBondContact O-N 3.48Å; T628-A631 VanDerWaalsContact OG1-CB 3.24Å; T628-A631 WeakPolarHBondContact OG1-CB 3.39Å; T628-A631 PolarHBondContact OG1-N 3.29Å; V629-A631 VanDerWaalsContact C-N 3.32Å; V629-A631 PolarHBondContact O-N 3.39Å; A631-L633 VanDerWaalsContact C-N 3.3Å; A631-L633 PolarHBondContact O-N 3.18Å; A631-L634 PolarHBondContact O-N 2.89Å; A631-R635 WeakPolarHBondContact O-CG 3.42Å; A631-R635 PolarHBondContact O-N 3.13Å
632	C	92.3	Very high	92.3	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.02	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-37.8	178.1	-72.2	0	0	0	0	112.6	T628 V629 P704 C721	T628-C632 PolarHBondContact O-N 3.18Å; V629-C632 PolarHBondContact O-N 3.28Å; C632-P704 HydrophobicContact CB-CB 4.15Å; C632-P704 WeakPolarHBondContact CB-O 3.48Å; C632-C721 WeakPolarHBondContact CA-SG 3.43Å; C632-C721 HydrophobicContact CB-CB 3.85Å; C632-C721 WeakPolarHBondContact CB-SG 3.49Å; C632-C721 WeakPolarHBondContact SG-CB 3.39Å; C632-C721 CovalentContact SG-SG 2.05Å; C632-C721 PolarHBondContact SG-SG 3.32Å
633	L	92	Very high	92.5	Very high	54 Å²	54	33.8 Å²	33.8	28%	0.283	19%	0.185	S	C	.	.	H	α-helix	trans	-71.6	-28.9	178.5	-62.4	173.3	0	0	0	113.1	V629 P630 A631 P637 L699 T703	V629-L633 HydrophobicContact CG1-CD1 3.98Å; V629-L633 VanDerWaalsContact O-CG 3.29Å; V629-L633 WeakPolarHBondContact O-CG 3.45Å; V629-L633 PolarHBondContact O-N 3.34Å; V629-L633 VanDerWaalsContact O-N 3.14Å; P630-L633 PolarHBondContact O-N 3.06Å; A631-L633 VanDerWaalsContact C-N 3.3Å; A631-L633 PolarHBondContact O-N 3.18Å; L633-P637 WeakPolarHBondContact O-CD 3.39Å; L633-P637 WeakPolarHBondContact O-CG 3.35Å; L633-L699 HydrophobicContact CD2-CD2 3.74Å; L633-T703 HydrophobicContact CD2-CG2 3.78Å
634	L	91.1	Very high	92.7	Very high	81 Å²	81	33.2 Å²	33.2	42%	0.424	18%	0.182	S	C	.	.	H	α-helix	trans	-94.5	-23.9	-176.3	-66.6	172.5	0	0	0	114	S619 P630 A631 Q636 L638	S619-L634 PolarHBondContact OG-O 2.84Å; P630-L634 WeakPolarHBondContact O-CB 3.46Å; P630-L634 VanDerWaalsContact O-CG 3.27Å; P630-L634 WeakPolarHBondContact O-CG 3.42Å; P630-L634 PolarHBondContact O-N 3.3Å; P630-L634 VanDerWaalsContact O-N 3.1Å; A631-L634 PolarHBondContact O-N 2.89Å; L634-Q636 PolarHBondContact O-N 2.92Å; L634-L638 HydrophobicContact CD2-CD2 4.32Å; L634-L638 WeakPolarHBondContact O-CB 3.38Å
635	R	91.7	Very high	92.8	Very high	22 Å²	22	34.4 Å²	34.4	8%	0.083	19%	0.189	C	C	.	.	H	α-helix	trans	-52.5	-53.4	-173.2	-88.2	168.6	-166.6	-154.1	-12	115.3	S619 S622 F623 A631 C721	S619-R635 VanDerWaalsContact OG-C 3.29Å; S619-R635 PolarHBondContact OG-O 2.74Å; S622-R635 PolarHBondContact O-NE 3.09Å; S622-R635 PolarHBondContact O-NH2 3.39Å; F623-R635 HydrophobicContact CD1-CG 4.21Å; F623-R635 HydrophobicContact CD2-CB 4.23Å; F623-R635 HydrophobicContact CD2-CG 3.83Å; F623-R635 HydrophobicContact CE1-CB 4.29Å; F623-R635 HydrophobicContact CE1-CG 4.28Å; F623-R635 HydrophobicContact CE2-CB 3.8Å; F623-R635 HydrophobicContact CE2-CG 3.92Å; F623-R635 WeakPolarHBondContact CE2-O 3.48Å; F623-R635 HydrophobicContact CG-CG 3.99Å; F623-R635 HydrophobicContact CZ-CB 3.83Å; F623-R635 HydrophobicContact CZ-CG 4.15Å; F623-R635 PolarHBondContact O-NH2 3.27Å; F623-R635 VanDerWaalsContact O-NH2 3.16Å; A631-R635 WeakPolarHBondContact O-CG 3.42Å; A631-R635 PolarHBondContact O-N 3.13Å; R635-C721 PolarHBondContact NH1-SG 3.02Å; R635-C721 VanDerWaalsContact NH1-SG 3.35Å
636	Q	91.3	Very high	93.1	Very high	21 Å²	21	34.4 Å²	34.4	10%	0.098	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-37.7	-170.7	-166.4	75.1	32.5	0	0	112.3	L634 S640 W698 F729 N793	L634-Q636 PolarHBondContact O-N 2.92Å; Q636-S640 WeakPolarHBondContact O-CB 3.43Å; Q636-S640 PolarHBondContact O-N 3.39Å; Q636-W698 HydrophobicContact CB-CH2 3.59Å; Q636-W698 HydrophobicContact CB-CZ3 4.31Å; Q636-W698 HydrophobicContact CG-CH2 3.53Å; Q636-W698 HydrophobicContact CG-CZ3 4.17Å; Q636-F729 HydrophobicContact CG-CD2 3.84Å; Q636-F729 HydrophobicContact CG-CE2 3.63Å; Q636-N793 PolarHBondContact OE1-ND2 3.31Å
637	P	92.7	Very high	93.3	Very high	9 Å²	9	28.2 Å²	28.2	6%	0.058	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-44.4	175.4	-25.4	35.6	0	0	0	114	L633 S640 L641 W698 L699	L633-P637 WeakPolarHBondContact O-CD 3.39Å; L633-P637 WeakPolarHBondContact O-CG 3.35Å; P637-S640 PolarHBondContact O-N 3.2Å; P637-L641 WeakPolarHBondContact O-CB 3.44Å; P637-L641 PolarHBondContact O-N 3.39Å; P637-W698 HydrophobicContact CB-CE3 4.37Å; P637-W698 HydrophobicContact CB-CZ3 4.16Å; P637-W698 HydrophobicContact CG-CE3 3.91Å; P637-W698 HydrophobicContact CG-CH2 3.98Å; P637-W698 HydrophobicContact CG-CZ3 3.62Å; P637-L699 HydrophobicContact CB-CD1 4.22Å; P637-L699 HydrophobicContact CB-CG 4.37Å; P637-L699 HydrophobicContact CG-CD1 4.35Å; P637-L699 HydrophobicContact CG-CD2 3.76Å; P637-L699 HydrophobicContact CG-CG 4.07Å
638	L	94.7	Very high	93.6	Very high	54 Å²	54	27.7 Å²	27.7	28%	0.283	16%	0.157	S	C	.	.	H	α-helix	trans	-67.3	-41.5	-179.7	-176.6	63.5	0	0	0	111.4	A615 L634 G642	A615-L638 HydrophobicContact CB-CD1 4.26Å; L634-L638 HydrophobicContact CD2-CD2 4.32Å; L634-L638 WeakPolarHBondContact O-CB 3.38Å; L638-G642 PolarHBondContact O-N 3.31Å
639	F	95.5	Very high	93.8	Very high	7 Å²	7	24.3 Å²	24.3	3%	0.031	14%	0.137	C	C	.	.	H	α-helix	trans	-58.5	-51.1	172.3	-178.8	-84.6	0	0	0	111.4	S619 L620 L641 G642 F643 W774 T800 L801	S619-F639 PolarHBondContact OG-N 2.6Å; L620-F639 HydrophobicContact CD2-CD2 3.94Å; L620-F639 HydrophobicContact CD2-CE2 4.2Å; L620-F639 HydrophobicContact CG-CD2 4.42Å; F639-L641 VanDerWaalsContact C-N 3.34Å; F639-L641 PolarHBondContact O-N 3.45Å; F639-G642 PolarHBondContact O-N 3.36Å; F639-F643 HydrophobicContact CE1-CB 4.44Å; F639-F643 WeakPolarHBondContact O-CB 3.22Å; F639-F643 PolarHBondContact O-N 3.34Å; F639-W774 HydrophobicContact CD1-CZ2 4.45Å; F639-W774 HydrophobicContact CE1-CH2 4.26Å; F639-W774 AromaticContact CE1-CZ2 3.59Å; F639-W774 HydrophobicContact CE1-CZ2 3.59Å; F639-W774 AromaticContact CZ-CZ2 3.97Å; F639-W774 HydrophobicContact CZ-CZ2 3.97Å; F639-T800 HydrophobicContact CZ-CG2 4.16Å; F639-L801 HydrophobicContact CD2-CD1 4.22Å; F639-L801 HydrophobicContact CE2-CD1 3.72Å; F639-L801 HydrophobicContact CE2-CD2 4.04Å; F639-L801 HydrophobicContact CE2-CG 3.69Å; F639-L801 HydrophobicContact CZ-CD2 4.47Å; F639-L801 HydrophobicContact CZ-CG 4.29Å
640	S	94.6	Very high	93.8	Very high	7 Å²	7	20.7 Å²	20.7	5%	0.049	12%	0.115	C	C	.	.	H	α-helix	trans	-57.8	-45.8	-179.5	-171.7	0	0	0	0	111.6	Q636 P637 A644 H691 N736	Q636-S640 WeakPolarHBondContact O-CB 3.43Å; Q636-S640 PolarHBondContact O-N 3.39Å; P637-S640 PolarHBondContact O-N 3.2Å; S640-A644 VanDerWaalsContact O-CB 3.25Å; S640-A644 WeakPolarHBondContact O-CB 3.23Å; S640-A644 PolarHBondContact O-N 3.09Å; S640-H691 PolarHBondContact O-NE2 2.85Å; S640-H691 PolarHBondContact OG-CE1 3.35Å; S640-H691 PolarHBondContact OG-NE2 3.04Å; S640-N736 PolarHBondContact O-ND2 3.45Å; S640-N736 VanDerWaalsContact O-ND2 3.11Å; S640-N736 PolarHBondContact OG-ND2 3.46Å
641	L	95.7	Very high	93.8	Very high	35 Å²	35	17.4 Å²	17.4	18%	0.183	9%	0.093	C	C	.	.	H	α-helix	trans	-67	-47.7	178.4	-178.9	63.6	0	0	0	112.6	P637 F639 F643 A644 I645 L692	P637-L641 WeakPolarHBondContact O-CB 3.44Å; P637-L641 PolarHBondContact O-N 3.39Å; F639-L641 VanDerWaalsContact C-N 3.34Å; F639-L641 PolarHBondContact O-N 3.45Å; L641-F643 VanDerWaalsContact C-N 3.31Å; L641-F643 PolarHBondContact O-N 3.41Å; L641-A644 PolarHBondContact O-N 2.98Å; L641-I645 HydrophobicContact CD1-CD1 4.14Å; L641-I645 HydrophobicContact CD1-CG1 4.42Å; L641-I645 HydrophobicContact CG-CD1 4.05Å; L641-I645 VanDerWaalsContact O-CG1 3.31Å; L641-I645 WeakPolarHBondContact O-CG1 3.4Å; L641-I645 PolarHBondContact O-N 3.47Å; L641-L692 HydrophobicContact CD1-CB 4.08Å; L641-L692 HydrophobicContact CD1-CD1 4.34Å; L641-L692 HydrophobicContact CD2-CD1 3.8Å
642	G	95.9	Very high	93.7	Very high	3 Å²	3	16.9 Å²	16.9	3%	0.031	9%	0.088	C	C	.	.	H	α-helix	trans	-60.5	-41.3	179	0	0	0	0	0	112.3	S612 L638 F639 F646	S612-G642 WeakPolarHBondContact CB-O 3.25Å; S612-G642 WeakPolarHBondContact O-CA 3.41Å; S612-G642 PolarHBondContact OG-O 3.39Å; L638-G642 PolarHBondContact O-N 3.31Å; F639-G642 PolarHBondContact O-N 3.36Å; G642-F646 PolarHBondContact O-N 2.78Å; G642-F646 VanDerWaalsContact O-N 3.17Å
643	F	95.8	Very high	93.4	Very high	5 Å²	5	19.6 Å²	19.6	2%	0.022	10%	0.098	C	C	.	.	H	α-helix	trans	-72.9	-37.8	177.7	-165.6	-116.7	0	0	0	112.7	F639 L641 I645 F646 L647 H770 T800 L801	F639-F643 HydrophobicContact CE1-CB 4.44Å; F639-F643 WeakPolarHBondContact O-CB 3.22Å; F639-F643 PolarHBondContact O-N 3.34Å; L641-F643 VanDerWaalsContact C-N 3.31Å; L641-F643 PolarHBondContact O-N 3.41Å; F643-I645 PolarHBondContact O-N 3.11Å; F643-F646 AromaticContact CD2-CD1 3.9Å; F643-F646 HydrophobicContact CD2-CD1 3.9Å; F643-F646 AromaticContact CE2-CD1 3.67Å; F643-F646 HydrophobicContact CE2-CD1 3.67Å; F643-F646 AromaticContact CE2-CE1 4Å; F643-F646 HydrophobicContact CE2-CE1 4Å; F643-F646 WeakPolarHBondContact O-CB 3.27Å; F643-F646 PolarHBondContact O-N 3.38Å; F643-L647 HydrophobicContact CD1-CD1 3.68Å; F643-L647 HydrophobicContact CD1-CG 4.12Å; F643-L647 HydrophobicContact CE1-CD1 3.44Å; F643-L647 VanDerWaalsContact CE1-CD1 3.44Å; F643-L647 HydrophobicContact CE1-CD2 4.13Å; F643-L647 HydrophobicContact CE1-CG 3.83Å; F643-L647 HydrophobicContact CE2-CG 4.47Å; F643-L647 HydrophobicContact CZ-CD1 4.1Å; F643-L647 HydrophobicContact CZ-CD2 3.93Å; F643-L647 HydrophobicContact CZ-CG 4Å; F643-L647 WeakPolarHBondContact O-CG 3.34Å; F643-L647 PolarHBondContact O-N 3.25Å; F643-H770 AromaticContact CE1-CE1 3.31Å; F643-H770 WeakPolarHBondContact CE1-CE1 3.49Å; F643-H770 AromaticContact CE1-ND1 3.71Å; F643-H770 AromaticContact CE1-NE2 3.74Å; F643-H770 AromaticContact CZ-CE1 3.89Å; F643-H770 AromaticContact CZ-ND1 3.8Å; F643-T800 HydrophobicContact CD1-CG2 4.15Å; F643-T800 HydrophobicContact CD2-CG2 3.77Å; F643-T800 HydrophobicContact CE1-CG2 3.67Å; F643-T800 HydrophobicContact CE2-CG2 3.28Å; F643-T800 HydrophobicContact CG-CG2 4.19Å; F643-T800 HydrophobicContact CZ-CG2 3.23Å; F643-L801 HydrophobicContact CD2-CD2 4.3Å
644	A	96.3	Very high	93.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.6	-46.4	174.2	0	0	0	0	0	111.6	S640 L641 F646 L647 S648 H691 N736 L739	S640-A644 VanDerWaalsContact O-CB 3.25Å; S640-A644 WeakPolarHBondContact O-CB 3.23Å; S640-A644 PolarHBondContact O-N 3.09Å; L641-A644 PolarHBondContact O-N 2.98Å; A644-F646 VanDerWaalsContact C-N 3.29Å; A644-F646 PolarHBondContact O-N 3.34Å; A644-L647 PolarHBondContact O-N 3.3Å; A644-S648 PolarHBondContact O-N 3.09Å; A644-S648 PolarHBondContact O-OG 2.98Å; A644-H691 HydrophobicContact CB-CB 3.99Å; A644-H691 WeakPolarHBondContact CB-CD2 3.08Å; A644-N736 WeakPolarHBondContact CA-OD1 2.99Å; A644-N736 PolarHBondContact N-OD1 2.99Å; A644-L739 HydrophobicContact CB-CD1 4.04Å
645	I	96	Very high	92.9	Very high	33 Å²	33	17.2 Å²	17.2	17%	0.169	8%	0.084	C	C	.	.	H	α-helix	trans	-58.8	-42.7	176.2	-66.9	165	0	0	0	110.8	L608 L641 F643 S648 C649	L608-I645 HydrophobicContact CD1-CG2 4.04Å; L608-I645 HydrophobicContact CD2-CG2 4.22Å; L608-I645 HydrophobicContact CG-CG2 3.88Å; L641-I645 HydrophobicContact CD1-CD1 4.14Å; L641-I645 HydrophobicContact CD1-CG1 4.42Å; L641-I645 HydrophobicContact CG-CD1 4.05Å; L641-I645 VanDerWaalsContact O-CG1 3.31Å; L641-I645 WeakPolarHBondContact O-CG1 3.4Å; L641-I645 PolarHBondContact O-N 3.47Å; F643-I645 PolarHBondContact O-N 3.11Å; I645-S648 PolarHBondContact O-N 3.1Å; I645-C649 PolarHBondContact O-N 3.21Å; I645-C649 PolarHBondContact O-SG 3.37Å
646	F	95.9	Very high	92.5	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.009	9%	0.086	C	C	.	.	H	α-helix	trans	-60	-49.8	175.9	170.6	-107.9	0	0	0	111.4	M609 S612 L613 G642 F643 A644 C649 L650 F809	M609-F646 HydrophobicContact CB-CD2 3.95Å; M609-F646 HydrophobicContact CB-CE2 4.46Å; M609-F646 HydrophobicContact CG-CD2 4.06Å; M609-F646 HydrophobicContact SD-CD2 4.44Å; M609-F646 HydrophobicContact SD-CE2 4.49Å; S612-F646 WeakPolarHBondContact OG-CB 3.31Å; S612-F646 PolarHBondContact OG-N 2.57Å; L613-F646 HydrophobicContact CD1-CD2 3.9Å; L613-F646 HydrophobicContact CD1-CE2 3.75Å; L613-F646 HydrophobicContact CD1-CZ 4.26Å; L613-F646 HydrophobicContact CD2-CB 4.21Å; L613-F646 HydrophobicContact CD2-CD1 3.98Å; L613-F646 HydrophobicContact CD2-CD2 3.95Å; L613-F646 HydrophobicContact CD2-CE1 4.28Å; L613-F646 HydrophobicContact CD2-CE2 4.28Å; L613-F646 HydrophobicContact CD2-CG 3.78Å; L613-F646 HydrophobicContact CD2-CZ 4.4Å; L613-F646 HydrophobicContact CG-CB 4.48Å; L613-F646 HydrophobicContact CG-CD2 3.8Å; L613-F646 HydrophobicContact CG-CE2 4.16Å; L613-F646 HydrophobicContact CG-CG 4.1Å; G642-F646 PolarHBondContact O-N 2.78Å; G642-F646 VanDerWaalsContact O-N 3.17Å; F643-F646 AromaticContact CD2-CD1 3.9Å; F643-F646 HydrophobicContact CD2-CD1 3.9Å; F643-F646 AromaticContact CE2-CD1 3.67Å; F643-F646 HydrophobicContact CE2-CD1 3.67Å; F643-F646 AromaticContact CE2-CE1 4Å; F643-F646 HydrophobicContact CE2-CE1 4Å; F643-F646 WeakPolarHBondContact O-CB 3.27Å; F643-F646 PolarHBondContact O-N 3.38Å; A644-F646 VanDerWaalsContact C-N 3.29Å; A644-F646 PolarHBondContact O-N 3.34Å; F646-C649 WeakPolarHBondContact O-CB 3.37Å; F646-C649 PolarHBondContact O-N 2.95Å; F646-L650 HydrophobicContact CD1-CD1 4.08Å; F646-L650 HydrophobicContact CD2-CG 4.38Å; F646-L650 HydrophobicContact CE1-CD1 3.36Å; F646-L650 HydrophobicContact CE1-CG 4.18Å; F646-L650 HydrophobicContact CE2-CD1 3.86Å; F646-L650 HydrophobicContact CE2-CD2 4.3Å; F646-L650 HydrophobicContact CE2-CG 3.95Å; F646-L650 HydrophobicContact CZ-CD1 3.25Å; F646-L650 HydrophobicContact CZ-CD2 4.39Å; F646-L650 HydrophobicContact CZ-CG 3.88Å; F646-L650 PolarHBondContact O-N 3.38Å; F646-F809 HydrophobicContact CE2-CE2 4.06Å
647	L	95.2	Very high	91.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.7	-38.5	178.1	-70.7	174	0	0	0	112.8	F643 A644 C649 L650 T651 L739 S740 T743 L767	F643-L647 HydrophobicContact CD1-CD1 3.68Å; F643-L647 HydrophobicContact CD1-CG 4.12Å; F643-L647 HydrophobicContact CE1-CD1 3.44Å; F643-L647 VanDerWaalsContact CE1-CD1 3.44Å; F643-L647 HydrophobicContact CE1-CD2 4.13Å; F643-L647 HydrophobicContact CE1-CG 3.83Å; F643-L647 HydrophobicContact CE2-CG 4.47Å; F643-L647 HydrophobicContact CZ-CD1 4.1Å; F643-L647 HydrophobicContact CZ-CD2 3.93Å; F643-L647 HydrophobicContact CZ-CG 4Å; F643-L647 WeakPolarHBondContact O-CG 3.34Å; F643-L647 PolarHBondContact O-N 3.25Å; A644-L647 PolarHBondContact O-N 3.3Å; L647-C649 VanDerWaalsContact C-N 3.29Å; L647-C649 PolarHBondContact O-N 3.22Å; L647-L650 PolarHBondContact O-N 3.42Å; L647-T651 VanDerWaalsContact O-CB 3.3Å; L647-T651 WeakPolarHBondContact O-CB 3.29Å; L647-T651 PolarHBondContact O-N 2.99Å; L647-T651 PolarHBondContact O-OG1 2.89Å; L647-L739 HydrophobicContact CB-CB 3.94Å; L647-L739 HydrophobicContact CB-CD1 4.38Å; L647-L739 HydrophobicContact CD1-CB 3.92Å; L647-S740 WeakPolarHBondContact CD1-OG 3.48Å; L647-T743 PolarHBondContact O-OG1 3.16Å; L647-L767 HydrophobicContact CD2-CD2 3.81Å
648	S	95.5	Very high	91.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.2	-41.8	175.5	-56.1	0	0	0	0	110.7	A644 I645 I652 F683 S687	A644-S648 PolarHBondContact O-N 3.09Å; A644-S648 PolarHBondContact O-OG 2.98Å; I645-S648 PolarHBondContact O-N 3.1Å; S648-I652 WeakPolarHBondContact O-CG2 3.34Å; S648-I652 PolarHBondContact O-N 3.27Å; S648-I652 VanDerWaalsContact O-N 3.17Å; S648-F683 WeakPolarHBondContact O-CE1 3.46Å; S648-S687 WeakPolarHBondContact OG-CB 3.25Å; S648-S687 PolarHBondContact OG-OG 3.05Å
649	C	93.5	Very high	90.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.9	-43.6	174.6	-66.6	0	0	0	0	112.2	M609 I645 F646 L647 I652 R653	M609-C649 HydrophobicContact CG-CB 3.29Å; M609-C649 HydrophobicContact SD-CB 3.59Å; M609-C649 VanDerWaalsContact SD-CB 3.59Å; I645-C649 PolarHBondContact O-N 3.21Å; I645-C649 PolarHBondContact O-SG 3.37Å; F646-C649 WeakPolarHBondContact O-CB 3.37Å; F646-C649 PolarHBondContact O-N 2.95Å; L647-C649 VanDerWaalsContact C-N 3.29Å; L647-C649 PolarHBondContact O-N 3.22Å; C649-I652 WeakPolarHBondContact O-CG2 3.49Å; C649-R653 WeakPolarHBondContact O-CB 3.25Å; C649-R653 WeakPolarHBondContact O-CG 3.45Å; C649-R653 PolarHBondContact O-N 2.7Å; C649-R653 VanDerWaalsContact O-N 3.12Å
650	L	91.3	Very high	89.6	Confident	4 Å²	4	19.3 Å²	19.3	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-67.1	-40.8	177.4	-76	-170.9	0	0	0	112.9	M609 F646 L647 R653 S654 T743 V763 Y808	M609-L650 HydrophobicContact SD-CD2 3.87Å; M609-L650 HydrophobicContact SD-CG 4.3Å; F646-L650 HydrophobicContact CD1-CD1 4.08Å; F646-L650 HydrophobicContact CD2-CG 4.38Å; F646-L650 HydrophobicContact CE1-CD1 3.36Å; F646-L650 HydrophobicContact CE1-CG 4.18Å; F646-L650 HydrophobicContact CE2-CD1 3.86Å; F646-L650 HydrophobicContact CE2-CD2 4.3Å; F646-L650 HydrophobicContact CE2-CG 3.95Å; F646-L650 HydrophobicContact CZ-CD1 3.25Å; F646-L650 HydrophobicContact CZ-CD2 4.39Å; F646-L650 HydrophobicContact CZ-CG 3.88Å; F646-L650 PolarHBondContact O-N 3.38Å; L647-L650 PolarHBondContact O-N 3.42Å; L650-R653 PolarHBondContact O-N 2.89Å; L650-S654 WeakPolarHBondContact O-CB 3.46Å; L650-S654 PolarHBondContact O-N 3.33Å; L650-S654 PolarHBondContact O-OG 3.06Å; L650-T743 HydrophobicContact CB-CG2 3.65Å; L650-T743 HydrophobicContact CD1-CG2 4.38Å; L650-V763 HydrophobicContact CD1-CG1 4.38Å; L650-Y808 HydrophobicContact CD2-CD1 4.04Å; L650-Y808 HydrophobicContact CD2-CD2 3.4Å; L650-Y808 HydrophobicContact CD2-CE1 4.21Å; L650-Y808 HydrophobicContact CD2-CE2 3.59Å; L650-Y808 HydrophobicContact CD2-CG 3.62Å
651	T	91.7	Very high	88.6	Confident	9 Å²	9	20.8 Å²	20.8	6%	0.055	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-53.3	178.9	-59.1	0	0	0	0	109.1	L647 R653 S654 F655 F683 T743	L647-T651 VanDerWaalsContact O-CB 3.3Å; L647-T651 WeakPolarHBondContact O-CB 3.29Å; L647-T651 PolarHBondContact O-N 2.99Å; L647-T651 PolarHBondContact O-OG1 2.89Å; T651-R653 VanDerWaalsContact C-N 3.28Å; T651-R653 PolarHBondContact O-N 3.43Å; T651-S654 PolarHBondContact O-N 3.44Å; T651-F655 VanDerWaalsContact O-CB 3.25Å; T651-F655 WeakPolarHBondContact O-CB 3.37Å; T651-F655 PolarHBondContact O-N 3.43Å; T651-F683 HydrophobicContact CG2-CE1 4.28Å; T651-F683 HydrophobicContact CG2-CZ 4.09Å; T651-T743 PolarHBondContact OG1-OG1 3.49Å
652	I	89.8	Confident	87.4	Confident	6 Å²	6	22.1 Å²	22.1	3%	0.031	11%	0.105	C	C	.	.	H	α-helix	trans	-68	-32.3	-175.7	-156.3	54.6	0	0	0	112.1	S648 C649 F655 Q656 W674 A680 F683 V684	S648-I652 WeakPolarHBondContact O-CG2 3.34Å; S648-I652 PolarHBondContact O-N 3.27Å; S648-I652 VanDerWaalsContact O-N 3.17Å; C649-I652 WeakPolarHBondContact O-CG2 3.49Å; I652-F655 HydrophobicContact CD1-CD1 4.11Å; I652-Q656 WeakPolarHBondContact O-CB 3.32Å; I652-Q656 VanDerWaalsContact O-CG 3.25Å; I652-Q656 WeakPolarHBondContact O-CG 3.04Å; I652-Q656 PolarHBondContact O-N 3.21Å; I652-W674 HydrophobicContact CD1-CH2 4.49Å; I652-W674 HydrophobicContact CD1-CZ2 3.73Å; I652-W674 HydrophobicContact CG1-CZ2 4.06Å; I652-A680 HydrophobicContact CG1-CB 3.86Å; I652-F683 HydrophobicContact CB-CD1 3.7Å; I652-F683 HydrophobicContact CB-CE1 4.21Å; I652-F683 HydrophobicContact CB-CG 4.44Å; I652-F683 HydrophobicContact CD1-CB 3.83Å; I652-F683 HydrophobicContact CD1-CD1 3.92Å; I652-F683 HydrophobicContact CD1-CD2 4.46Å; I652-F683 HydrophobicContact CD1-CG 3.8Å; I652-F683 HydrophobicContact CG1-CB 4.08Å; I652-F683 HydrophobicContact CG1-CD1 3.97Å; I652-F683 HydrophobicContact CG1-CG 4.21Å; I652-V684 HydrophobicContact CG2-CG2 3.83Å
653	R	85.4	Confident	86.2	Confident	60 Å²	60	25.8 Å²	25.8	23%	0.226	12%	0.121	C	C	.	.	H	α-helix	trans	-69	-45.8	174.8	-74.9	-72.1	161.7	-168.8	4.9	112	G602 L605 C649 L650 T651 F655 Q656 L657	G602-R653 PolarHBondContact O-NH2 2.82Å; L605-R653 VanDerWaalsContact CD1-NH2 3.33Å; C649-R653 WeakPolarHBondContact O-CB 3.25Å; C649-R653 WeakPolarHBondContact O-CG 3.45Å; C649-R653 PolarHBondContact O-N 2.7Å; C649-R653 VanDerWaalsContact O-N 3.12Å; L650-R653 PolarHBondContact O-N 2.89Å; T651-R653 VanDerWaalsContact C-N 3.28Å; T651-R653 PolarHBondContact O-N 3.43Å; R653-F655 VanDerWaalsContact C-N 3.29Å; R653-F655 PolarHBondContact O-N 3.15Å; R653-Q656 VanDerWaalsContact CZ-OE1 3.22Å; R653-Q656 WeakPolarHBondContact O-CB 3.31Å; R653-Q656 PolarHBondContact O-N 2.87Å; R653-L657 WeakPolarHBondContact O-CG 3.4Å; R653-L657 PolarHBondContact O-N 3.5Å
654	S	87	Confident	84.7	Confident	13 Å²	13	27.5 Å²	27.5	9%	0.091	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-42.5	175.7	-55.9	0	0	0	0	110.6	L650 T651 L657 V658	L650-S654 WeakPolarHBondContact O-CB 3.46Å; L650-S654 PolarHBondContact O-N 3.33Å; L650-S654 PolarHBondContact O-OG 3.06Å; T651-S654 PolarHBondContact O-N 3.44Å; S654-L657 PolarHBondContact O-N 3.45Å; S654-V658 WeakPolarHBondContact O-CG2 3.37Å; S654-V658 PolarHBondContact O-N 3.4Å
655	F	86	Confident	83.2	Confident	72 Å²	72	33.3 Å²	33.3	32%	0.316	17%	0.169	S	C	.	.	H	α-helix	trans	-63.1	-42.4	175.6	-175.6	-109.4	0	0	0	112.7	T651 I652 R653 L657 V658 I659	T651-F655 VanDerWaalsContact O-CB 3.25Å; T651-F655 WeakPolarHBondContact O-CB 3.37Å; T651-F655 PolarHBondContact O-N 3.43Å; I652-F655 HydrophobicContact CD1-CD1 4.11Å; R653-F655 VanDerWaalsContact C-N 3.29Å; R653-F655 PolarHBondContact O-N 3.15Å; F655-L657 VanDerWaalsContact C-N 3.34Å; F655-L657 PolarHBondContact O-N 2.96Å; F655-V658 PolarHBondContact O-N 3.48Å; F655-I659 HydrophobicContact CD1-CD1 3.88Å; F655-I659 HydrophobicContact CD1-CG1 4.36Å; F655-I659 HydrophobicContact CD2-CG1 4.5Å; F655-I659 HydrophobicContact CE1-CD1 3.19Å; F655-I659 HydrophobicContact CE1-CG1 4.05Å; F655-I659 HydrophobicContact CE2-CD1 3.96Å; F655-I659 HydrophobicContact CE2-CG1 4.18Å; F655-I659 HydrophobicContact CZ-CD1 3.26Å; F655-I659 HydrophobicContact CZ-CG1 3.98Å; F655-I659 PolarHBondContact O-N 3.23Å
656	Q	82.8	Confident	81.8	Confident	30 Å²	30	39.3 Å²	39.3	14%	0.14	19%	0.193	C	C	.	.	H	α-helix	trans	-56.6	-47.9	173.8	-84.6	178.8	-33.4	0	0	112	I652 R653 V658 I659 I660 W674	I652-Q656 WeakPolarHBondContact O-CB 3.32Å; I652-Q656 VanDerWaalsContact O-CG 3.25Å; I652-Q656 WeakPolarHBondContact O-CG 3.04Å; I652-Q656 PolarHBondContact O-N 3.21Å; R653-Q656 VanDerWaalsContact CZ-OE1 3.22Å; R653-Q656 WeakPolarHBondContact O-CB 3.31Å; R653-Q656 PolarHBondContact O-N 2.87Å; Q656-V658 VanDerWaalsContact C-N 3.34Å; Q656-I659 PolarHBondContact O-N 2.98Å; Q656-I660 WeakPolarHBondContact O-CB 3.49Å; Q656-I660 WeakPolarHBondContact O-CD1 3.4Å; Q656-I660 WeakPolarHBondContact O-CG1 3.41Å; Q656-I660 PolarHBondContact O-N 3.38Å; Q656-W674 HydrophobicContact CG-CH2 3.25Å; Q656-W674 HydrophobicContact CG-CZ2 4.35Å; Q656-W674 HydrophobicContact CG-CZ3 3.7Å; Q656-W674 VanDerWaalsContact NE2-CH2 3.25Å
657	L	79	Confident	80.6	Confident	41 Å²	41	42.4 Å²	42.4	22%	0.215	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-45.6	178.8	-68.9	173.7	0	0	0	110.9	R653 S654 F655 I660 F661 L753 Y757	R653-L657 WeakPolarHBondContact O-CG 3.4Å; R653-L657 PolarHBondContact O-N 3.5Å; S654-L657 PolarHBondContact O-N 3.45Å; F655-L657 VanDerWaalsContact C-N 3.34Å; F655-L657 PolarHBondContact O-N 2.96Å; L657-I660 PolarHBondContact O-N 3.22Å; L657-F661 HydrophobicContact CD2-CE2 4.11Å; L657-F661 VanDerWaalsContact O-CD2 3.31Å; L657-F661 WeakPolarHBondContact O-CD2 3.42Å; L657-F661 PolarHBondContact O-N 3.5Å; L657-F661 VanDerWaalsContact O-N 3.1Å; L657-L753 HydrophobicContact CB-CD1 3.78Å; L657-L753 HydrophobicContact CD1-CD1 4.47Å; L657-Y757 HydrophobicContact CD1-CD1 4.14Å; L657-Y757 HydrophobicContact CD2-CD1 3.56Å; L657-Y757 HydrophobicContact CD2-CE1 3.51Å
658	V	79.3	Confident	79.5	Confident	6 Å²	6	46.1 Å²	46.1	4%	0.036	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-44.4	177.8	171.9	0	0	0	0	111.8	S654 F655 Q656 K662 F663 C746 L749	S654-V658 WeakPolarHBondContact O-CG2 3.37Å; S654-V658 PolarHBondContact O-N 3.4Å; F655-V658 PolarHBondContact O-N 3.48Å; Q656-V658 VanDerWaalsContact C-N 3.34Å; V658-K662 WeakPolarHBondContact O-CA 3.28Å; V658-K662 WeakPolarHBondContact O-CB 3.36Å; V658-K662 PolarHBondContact O-N 3.04Å; V658-F663 HydrophobicContact CG1-CD2 3.78Å; V658-F663 HydrophobicContact CG1-CE2 3.62Å; V658-C746 VanDerWaalsContact CG2-O 3.28Å; V658-C746 WeakPolarHBondContact CG2-O 3.47Å; V658-L749 HydrophobicContact CG1-CB 4.26Å; V658-L749 HydrophobicContact CG2-CB 3.92Å
659	I	79.3	Confident	78.6	Confident	14 Å²	14	51.3 Å²	51.3	7%	0.072	27%	0.268	C	S	.	.	I	π-helix	trans	-63	-49.6	177.5	-74.4	-168.9	0	0	0	111.1	F655 Q656 F661 F663 S664 F670 Y671	F655-I659 HydrophobicContact CD1-CD1 3.88Å; F655-I659 HydrophobicContact CD1-CG1 4.36Å; F655-I659 HydrophobicContact CD2-CG1 4.5Å; F655-I659 HydrophobicContact CE1-CD1 3.19Å; F655-I659 HydrophobicContact CE1-CG1 4.05Å; F655-I659 HydrophobicContact CE2-CD1 3.96Å; F655-I659 HydrophobicContact CE2-CG1 4.18Å; F655-I659 HydrophobicContact CZ-CD1 3.26Å; F655-I659 HydrophobicContact CZ-CG1 3.98Å; F655-I659 PolarHBondContact O-N 3.23Å; Q656-I659 PolarHBondContact O-N 2.98Å; I659-F661 PolarHBondContact O-N 3.28Å; I659-F663 CarbonylContact O-C 2.99Å; I659-F663 PolarHBondContact O-N 3.2Å; I659-S664 PolarHBondContact O-N 3.18Å; I659-F670 HydrophobicContact CD1-CE1 4.25Å; I659-Y671 HydrophobicContact CG2-CD2 3.4Å; I659-Y671 HydrophobicContact CG2-CE2 4.13Å; I659-Y671 HydrophobicContact CG2-CG 3.99Å
660	I	75.5	Confident	77.7	Confident	65 Å²	65	56.5 Å²	56.5	33%	0.333	29%	0.291	S	S	.	.	I	π-helix	trans	-59.2	-47.9	-175.2	-71.1	167	0	0	0	110.9	Q656 L657 S664 Y671	Q656-I660 WeakPolarHBondContact O-CB 3.49Å; Q656-I660 WeakPolarHBondContact O-CD1 3.4Å; Q656-I660 WeakPolarHBondContact O-CG1 3.41Å; Q656-I660 PolarHBondContact O-N 3.38Å; L657-I660 PolarHBondContact O-N 3.22Å; I660-S664 WeakPolarHBondContact O-CB 3.08Å; I660-S664 PolarHBondContact O-OG 2.95Å; I660-Y671 HydrophobicContact CD1-CE2 4.32Å; I660-Y671 HydrophobicContact CG1-CE2 3.63Å; I660-Y671 WeakPolarHBondContact CG1-OH 3.36Å
661	F	72.8	Confident	76.9	Confident	39 Å²	39	59.7 Å²	59.7	17%	0.171	30%	0.304	C	S	.	.	I	π-helix	trans	-91.9	-27.1	-171.2	-71.4	-71.8	0	0	0	114.9	L657 I659 L753 P754 Y757 I832 Y835	L657-F661 HydrophobicContact CD2-CE2 4.11Å; L657-F661 VanDerWaalsContact O-CD2 3.31Å; L657-F661 WeakPolarHBondContact O-CD2 3.42Å; L657-F661 PolarHBondContact O-N 3.5Å; L657-F661 VanDerWaalsContact O-N 3.1Å; I659-F661 PolarHBondContact O-N 3.28Å; F661-L753 HydrophobicContact CB-CD2 3.33Å; F661-L753 HydrophobicContact CD2-CD2 3.56Å; F661-L753 HydrophobicContact CE2-CD2 4.49Å; F661-L753 HydrophobicContact CG-CD2 3.58Å; F661-P754 HydrophobicContact CE1-CG 4.39Å; F661-Y757 HydrophobicContact CE2-CE2 4.32Å; F661-Y757 HydrophobicContact CZ-CD2 4.5Å; F661-Y757 HydrophobicContact CZ-CE2 4.04Å; F661-I832 HydrophobicContact CE1-CG1 4.29Å; F661-I832 HydrophobicContact CE1-CG2 4.25Å; F661-I832 HydrophobicContact CZ-CD1 4.49Å; F661-I832 HydrophobicContact CZ-CG1 4.17Å; F661-Y835 HydrophobicContact CB-CE1 4.27Å; F661-Y835 HydrophobicContact CD1-CD1 4.1Å; F661-Y835 AromaticContact CD1-CE1 3.95Å; F661-Y835 HydrophobicContact CD1-CE1 3.95Å; F661-Y835 HydrophobicContact CG-CE1 4.48Å
662	K	72.2	Confident	76.1	Confident	62 Å²	62	64.4 Å²	64.4	27%	0.27	33%	0.325	S	S	.	.	I	π-helix	trans	-110.4	-28.6	-177.8	-72.1	-169.3	166.6	-175.8	0	114.8	V658 L749 E752	V658-K662 WeakPolarHBondContact O-CA 3.28Å; V658-K662 WeakPolarHBondContact O-CB 3.36Å; V658-K662 PolarHBondContact O-N 3.04Å; K662-L749 PolarHBondContact NZ-O 3.07Å; K662-E752 IonicContact NZ-OE2 3.41Å; K662-E752 PolarHBondContact NZ-OE2 3.36Å
663	F	70.4	Confident	75.5	Confident	81 Å²	81	67.6 Å²	67.6	36%	0.355	35%	0.345	S	S	.	.	I	π-helix	trans	-121.4	-8.1	-170.3	-65.8	-78.3	0	0	0	115.6	V658 I659 T665 K666 V667	V658-F663 HydrophobicContact CG1-CD2 3.78Å; V658-F663 HydrophobicContact CG1-CE2 3.62Å; I659-F663 CarbonylContact O-C 2.99Å; I659-F663 PolarHBondContact O-N 3.2Å; F663-T665 PolarHBondContact O-N 3.41Å; F663-K666 HydrophobicContact CD1-CD 4.19Å; F663-K666 WeakPolarHBondContact O-CA 3.46Å; F663-K666 PolarHBondContact O-N 3.33Å; F663-V667 PolarHBondContact O-N 3.39Å
664	S	64.5	Low	75.2	Confident	40 Å²	40	66.6 Å²	66.6	28%	0.28	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-32.3	-178.2	66.4	0	0	0	0	112.5	I659 I660 P668	I659-S664 PolarHBondContact O-N 3.18Å; I660-S664 WeakPolarHBondContact O-CB 3.08Å; I660-S664 PolarHBondContact O-OG 2.95Å; S664-P668 WeakPolarHBondContact O-CA 3.37Å
665	T	64.4	Low	74.8	Confident	123 Å²	123	68.3 Å²	68.3	76%	0.755	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-26.4	174.1	55.5	0	0	0	0	113.2	F663	F663-T665 PolarHBondContact O-N 3.41Å
666	K	66.9	Low	74.5	Confident	158 Å²	158	70.7 Å²	70.7	69%	0.687	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-29.5	-179.2	-66	-172.3	179.4	-179.8	0	113.2	F663	F663-K666 HydrophobicContact CD1-CD 4.19Å; F663-K666 WeakPolarHBondContact O-CA 3.46Å; F663-K666 PolarHBondContact O-N 3.33Å
667	V	71.2	Confident	74.5	Confident	67 Å²	67	74 Å²	74	41%	0.406	39%	0.387	S	S	.	.			trans	-140.5	57.4	-173.6	-135.9	0	0	0	0	112.8	F663 T669 F670 Y671	F663-V667 PolarHBondContact O-N 3.39Å; V667-T669 PolarHBondContact O-N 2.89Å; V667-F670 HydrophobicContact CB-CB 4.32Å; V667-F670 HydrophobicContact CG1-CB 3.8Å; V667-F670 PolarHBondContact O-N 2.98Å; V667-Y671 PolarHBondContact O-N 2.85Å
668	P	72	Confident	74.7	Confident	78 Å²	78	79.2 Å²	79.2	51%	0.506	41%	0.409	S	S	.	.	H	α-helix	trans	-65.5	-39	-171	25.2	-34.1	0	0	0	113.4	S664 F670 Y671 H672	S664-P668 WeakPolarHBondContact O-CA 3.37Å; P668-F670 PolarHBondContact O-N 3.34Å; P668-Y671 PolarHBondContact O-N 3.36Å; P668-H672 WeakPolarHBondContact O-CB 3.46Å; P668-H672 PolarHBondContact O-N 2.79Å
669	T	76.6	Confident	74.9	Confident	109 Å²	109	79.3 Å²	79.3	67%	0.669	41%	0.412	S	S	*	.	H	α-helix	trans	-62.8	-42	179.5	45	0	0	0	0	112.1	V667 T673	V667-T669 PolarHBondContact O-N 2.89Å; T669-T673 WeakPolarHBondContact O-CB 3.48Å; T669-T673 PolarHBondContact O-N 2.6Å; T669-T673 PolarHBondContact O-OG1 3.4Å
670	F	74.6	Confident	75.2	Confident	110 Å²	110	79.2 Å²	79.2	48%	0.482	41%	0.413	S	S	.	.	H	α-helix	trans	-64.7	-49.5	176.2	178.9	-99.9	0	0	0	111.3	I659 V667 P668 H672 T673 W674	I659-F670 HydrophobicContact CD1-CE1 4.25Å; V667-F670 HydrophobicContact CB-CB 4.32Å; V667-F670 HydrophobicContact CG1-CB 3.8Å; V667-F670 PolarHBondContact O-N 2.98Å; P668-F670 PolarHBondContact O-N 3.34Å; F670-H672 VanDerWaalsContact C-N 3.35Å; F670-H672 PolarHBondContact O-N 3.28Å; F670-T673 PolarHBondContact O-N 2.95Å; F670-W674 WeakPolarHBondContact O-CB 3.43Å; F670-W674 PolarHBondContact O-N 3.47Å
671	Y	72.8	Confident	75.7	Confident	71 Å²	71	77.5 Å²	77.5	28%	0.278	41%	0.411	S	S	.	.	H	α-helix	trans	-59.5	-45.3	179.3	174.1	-107.9	0	0	0	112	I659 I660 V667 P668 W674 A675	I659-Y671 HydrophobicContact CG2-CD2 3.4Å; I659-Y671 HydrophobicContact CG2-CE2 4.13Å; I659-Y671 HydrophobicContact CG2-CG 3.99Å; I660-Y671 HydrophobicContact CD1-CE2 4.32Å; I660-Y671 HydrophobicContact CG1-CE2 3.63Å; I660-Y671 WeakPolarHBondContact CG1-OH 3.36Å; V667-Y671 PolarHBondContact O-N 2.85Å; P668-Y671 PolarHBondContact O-N 3.36Å; Y671-W674 HydrophobicContact CD2-CE3 4.42Å; Y671-W674 PolarHBondContact O-N 3.36Å; Y671-A675 WeakPolarHBondContact O-CB 3.37Å; Y671-A675 PolarHBondContact O-N 2.83Å
672	H	75.9	Confident	76.5	Confident	108 Å²	108	80.1 Å²	80.1	50%	0.5	43%	0.426	S	S	.	.	H	α-helix	trans	-62.2	-46.3	179.5	-171.4	-86.6	0	0	0	111.8	P668 F670 A675 Q676	P668-H672 WeakPolarHBondContact O-CB 3.46Å; P668-H672 PolarHBondContact O-N 2.79Å; F670-H672 VanDerWaalsContact C-N 3.35Å; F670-H672 PolarHBondContact O-N 3.28Å; H672-A675 PolarHBondContact O-N 2.67Å; H672-Q676 PolarHBondContact CE1-NE2 3.42Å; H672-Q676 PolarHBondContact CE1-OE1 3.41Å; H672-Q676 PolarHBondContact ND1-OE1 2.91Å; H672-Q676 WeakPolarHBondContact O-CB 3.41Å; H672-Q676 WeakPolarHBondContact O-CG 3.13Å; H672-Q676 PolarHBondContact O-N 2.88Å
673	T	78	Confident	77.4	Confident	73 Å²	73	80.6 Å²	80.6	45%	0.448	43%	0.428	S	S	.	.	H	α-helix	trans	-62.8	-44.7	177.6	-51.8	0	0	0	0	111.4	T669 F670 Q676 N677	T669-T673 WeakPolarHBondContact O-CB 3.48Å; T669-T673 PolarHBondContact O-N 2.6Å; T669-T673 PolarHBondContact O-OG1 3.4Å; F670-T673 PolarHBondContact O-N 2.95Å; T673-Q676 PolarHBondContact O-N 3.31Å; T673-N677 WeakPolarHBondContact O-CB 3.37Å; T673-N677 PolarHBondContact O-N 3.37Å
674	W	78.5	Confident	78.5	Confident	39 Å²	39	77.1 Å²	77.1	15%	0.148	41%	0.414	C	S	.	.	H	α-helix	trans	-65.5	-41.4	179.5	178.9	87.1	0	0	0	112.4	I652 Q656 F670 Y671 G679 A680	I652-W674 HydrophobicContact CD1-CH2 4.49Å; I652-W674 HydrophobicContact CD1-CZ2 3.73Å; I652-W674 HydrophobicContact CG1-CZ2 4.06Å; Q656-W674 HydrophobicContact CG-CH2 3.25Å; Q656-W674 HydrophobicContact CG-CZ2 4.35Å; Q656-W674 HydrophobicContact CG-CZ3 3.7Å; Q656-W674 VanDerWaalsContact NE2-CH2 3.25Å; F670-W674 WeakPolarHBondContact O-CB 3.43Å; F670-W674 PolarHBondContact O-N 3.47Å; Y671-W674 HydrophobicContact CD2-CE3 4.42Å; Y671-W674 PolarHBondContact O-N 3.36Å; W674-G679 PolarHBondContact O-N 3.43Å; W674-A680 HydrophobicContact CH2-CB 3.67Å; W674-A680 HydrophobicContact CZ2-CB 3.77Å
675	A	77.5	Confident	79.8	Confident	49 Å²	49	80.5 Å²	80.5	41%	0.405	43%	0.428	S	S	.	.	H	α-helix	trans	-66.8	-42.6	176.7	0	0	0	0	0	111.7	Y671 H672 H678	Y671-A675 WeakPolarHBondContact O-CB 3.37Å; Y671-A675 PolarHBondContact O-N 2.83Å; H672-A675 PolarHBondContact O-N 2.67Å; A675-H678 PolarHBondContact O-N 3.41Å
676	Q	80.8	Confident	81.3	Confident	121 Å²	121	78.3 Å²	78.3	57%	0.565	41%	0.414	S	S	*	.	H	α-helix	trans	-63.9	-39.7	176	-78.2	-173.2	-36.3	0	0	112.5	H672 T673 H678	H672-Q676 PolarHBondContact CE1-NE2 3.42Å; H672-Q676 PolarHBondContact CE1-OE1 3.41Å; H672-Q676 PolarHBondContact ND1-OE1 2.91Å; H672-Q676 WeakPolarHBondContact O-CB 3.41Å; H672-Q676 WeakPolarHBondContact O-CG 3.13Å; H672-Q676 PolarHBondContact O-N 2.88Å; T673-Q676 PolarHBondContact O-N 3.31Å; Q676-H678 PolarHBondContact O-N 3.46Å; Q676-H678 PolarHBondContact O-ND1 3.17Å
677	N	83.1	Confident	82.6	Confident	101 Å²	101	71.2 Å²	71.2	54%	0.54	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	21.5	-177.5	-69.2	0.5	0	0	0	113.6	T673 G679 I682	T673-N677 WeakPolarHBondContact O-CB 3.37Å; T673-N677 PolarHBondContact O-N 3.37Å; N677-G679 PolarHBondContact O-N 2.98Å; N677-G679 VanDerWaalsContact O-N 3.09Å; N677-I682 VanDerWaalsContact O-CD1 3.23Å; N677-I682 WeakPolarHBondContact O-CD1 3.38Å
678	H	82.4	Confident	83.7	Confident	149 Å²	149	69 Å²	69	69%	0.69	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	34.1	178.8	-59.9	76.3	0	0	0	113.3	A675 Q676 A680 G681 I682	A675-H678 PolarHBondContact O-N 3.41Å; Q676-H678 PolarHBondContact O-N 3.46Å; Q676-H678 PolarHBondContact O-ND1 3.17Å; H678-A680 PolarHBondContact O-N 3.23Å; H678-G681 PolarHBondContact O-N 3.23Å; H678-I682 PolarHBondContact O-N 2.84Å
679	G	83.8	Confident	84.8	Confident	8 Å²	8	68.8 Å²	68.8	8%	0.082	37%	0.369	C	S	.	.	H	α-helix	trans	-57.5	-25.9	-168.9	0	0	0	0	0	114.3	W674 N677 F683	W674-G679 PolarHBondContact O-N 3.43Å; N677-G679 PolarHBondContact O-N 2.98Å; N677-G679 VanDerWaalsContact O-N 3.09Å; G679-F683 PolarHBondContact O-N 3Å
680	A	85.6	Confident	85.7	Confident	12 Å²	12	66.9 Å²	66.9	10%	0.099	36%	0.357	C	S	.	.	H	α-helix	trans	-64.7	-44.2	173.5	0	0	0	0	0	113.1	I652 W674 H678 V684	I652-A680 HydrophobicContact CG1-CB 3.86Å; W674-A680 HydrophobicContact CH2-CB 3.67Å; W674-A680 HydrophobicContact CZ2-CB 3.77Å; H678-A680 PolarHBondContact O-N 3.23Å; A680-V684 WeakPolarHBondContact O-CG2 3.45Å; A680-V684 PolarHBondContact O-N 3.24Å
681	G	86.9	Confident	86.7	Confident	29 Å²	29	61.6 Å²	61.6	30%	0.299	33%	0.334	S	S	.	.	H	α-helix	trans	-67.3	-41.5	177.4	0	0	0	0	0	111.2	H678 F683 V684 I685	H678-G681 PolarHBondContact O-N 3.23Å; G681-F683 PolarHBondContact O-N 2.94Å; G681-V684 PolarHBondContact O-N 3.16Å; G681-I685 VanDerWaalsContact O-CG1 3.29Å; G681-I685 WeakPolarHBondContact O-CG1 3.47Å; G681-I685 PolarHBondContact O-N 3.27Å
682	I	88.6	Confident	87.8	Confident	95 Å²	95	61.8 Å²	61.8	49%	0.487	34%	0.339	S	S	.	.	H	α-helix	trans	-59.6	-45.8	176.6	-62.2	176.7	0	0	0	110.8	N677 H678 V684 I685 V686	N677-I682 VanDerWaalsContact O-CD1 3.23Å; N677-I682 WeakPolarHBondContact O-CD1 3.38Å; H678-I682 PolarHBondContact O-N 2.84Å; I682-V684 PolarHBondContact O-N 2.99Å; I682-I685 PolarHBondContact O-N 3.27Å; I682-V686 HydrophobicContact CG2-CG2 4.09Å; I682-V686 WeakPolarHBondContact O-CB 3.36Å; I682-V686 VanDerWaalsContact O-CG2 3.3Å; I682-V686 WeakPolarHBondContact O-CG2 3.25Å; I682-V686 PolarHBondContact O-N 3.43Å
683	F	91.6	Very high	88.8	Confident	72 Å²	72	63 Å²	63	32%	0.316	34%	0.343	S	S	.	.	H	α-helix	trans	-59.5	-46.8	177.8	176.6	-92.5	0	0	0	112.3	S648 T651 I652 G679 G681 I685 V686 S687	S648-F683 WeakPolarHBondContact O-CE1 3.46Å; T651-F683 HydrophobicContact CG2-CE1 4.28Å; T651-F683 HydrophobicContact CG2-CZ 4.09Å; I652-F683 HydrophobicContact CB-CD1 3.7Å; I652-F683 HydrophobicContact CB-CE1 4.21Å; I652-F683 HydrophobicContact CB-CG 4.44Å; I652-F683 HydrophobicContact CD1-CB 3.83Å; I652-F683 HydrophobicContact CD1-CD1 3.92Å; I652-F683 HydrophobicContact CD1-CD2 4.46Å; I652-F683 HydrophobicContact CD1-CG 3.8Å; I652-F683 HydrophobicContact CG1-CB 4.08Å; I652-F683 HydrophobicContact CG1-CD1 3.97Å; I652-F683 HydrophobicContact CG1-CG 4.21Å; G679-F683 PolarHBondContact O-N 3Å; G681-F683 PolarHBondContact O-N 2.94Å; F683-I685 VanDerWaalsContact C-N 3.34Å; F683-I685 PolarHBondContact O-N 2.95Å; F683-V686 PolarHBondContact O-N 3.25Å; F683-S687 WeakPolarHBondContact O-CB 3.41Å; F683-S687 PolarHBondContact O-N 2.91Å
684	V	92.9	Very high	89.6	Confident	7 Å²	7	61.1 Å²	61.1	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-61.8	-44.4	178.6	174.3	0	0	0	0	110.4	L608 I652 A680 G681 I682 S688	L608-V684 HydrophobicContact CD2-CG1 3.95Å; I652-V684 HydrophobicContact CG2-CG2 3.83Å; A680-V684 WeakPolarHBondContact O-CG2 3.45Å; A680-V684 PolarHBondContact O-N 3.24Å; G681-V684 PolarHBondContact O-N 3.16Å; I682-V684 PolarHBondContact O-N 2.99Å; V684-S688 WeakPolarHBondContact O-CB 3.44Å; V684-S688 PolarHBondContact O-N 2.88Å; V684-S688 PolarHBondContact O-OG 2.89Å
685	I	92.8	Very high	90.3	Very high	112 Å²	112	59.4 Å²	59.4	57%	0.574	32%	0.324	S	S	*	.	H	α-helix	trans	-61.5	-52.9	178.1	-68.7	166.5	0	0	0	110.4	G681 I682 F683 S688 T689	G681-I685 VanDerWaalsContact O-CG1 3.29Å; G681-I685 WeakPolarHBondContact O-CG1 3.47Å; G681-I685 PolarHBondContact O-N 3.27Å; I682-I685 PolarHBondContact O-N 3.27Å; F683-I685 VanDerWaalsContact C-N 3.34Å; F683-I685 PolarHBondContact O-N 2.95Å; I685-S688 PolarHBondContact O-N 3.25Å; I685-T689 HydrophobicContact CG2-CG2 4.33Å; I685-T689 WeakPolarHBondContact O-CB 3.46Å; I685-T689 VanDerWaalsContact O-CG2 3.32Å; I685-T689 WeakPolarHBondContact O-CG2 3.18Å; I685-T689 PolarHBondContact O-N 2.99Å; I685-T689 PolarHBondContact O-OG1 2.8Å
686	V	94	Very high	91.1	Very high	76 Å²	76	61.7 Å²	61.7	46%	0.461	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-46.7	-177.6	172.1	0	0	0	0	111.6	I682 F683 S688 T689 V690	I682-V686 HydrophobicContact CG2-CG2 4.09Å; I682-V686 WeakPolarHBondContact O-CB 3.36Å; I682-V686 VanDerWaalsContact O-CG2 3.3Å; I682-V686 WeakPolarHBondContact O-CG2 3.25Å; I682-V686 PolarHBondContact O-N 3.43Å; F683-V686 PolarHBondContact O-N 3.25Å; V686-S688 VanDerWaalsContact C-N 3.34Å; V686-S688 PolarHBondContact O-N 2.83Å; V686-T689 WeakPolarHBondContact CA-OG1 3.42Å; V686-T689 PolarHBondContact O-N 3.27Å; V686-T689 PolarHBondContact O-OG1 2.03Å; V686-V690 WeakPolarHBondContact O-CB 3.44Å; V686-V690 VanDerWaalsContact O-CG2 3.25Å; V686-V690 WeakPolarHBondContact O-CG2 3.49Å; V686-V690 PolarHBondContact O-N 2.61Å
687	S	94.5	Very high	91.7	Very high	10 Å²	10	58.1 Å²	58.1	7%	0.07	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-39.7	179.7	-179.4	0	0	0	0	111.7	S648 F683 H691 L739	S648-S687 WeakPolarHBondContact OG-CB 3.25Å; S648-S687 PolarHBondContact OG-OG 3.05Å; F683-S687 WeakPolarHBondContact O-CB 3.41Å; F683-S687 PolarHBondContact O-N 2.91Å; S687-H691 WeakPolarHBondContact O-CB 3.49Å; S687-H691 PolarHBondContact O-N 3.12Å; S687-L739 WeakPolarHBondContact OG-CD2 3.43Å
688	S	94.6	Very high	92.1	Very high	19 Å²	19	53.6 Å²	53.6	13%	0.133	29%	0.291	C	S	.	.	H	α-helix	trans	-70.7	-37.3	177.5	-55	0	0	0	0	112.2	V684 I685 V686 H691 L692	V684-S688 WeakPolarHBondContact O-CB 3.44Å; V684-S688 PolarHBondContact O-N 2.88Å; V684-S688 PolarHBondContact O-OG 2.89Å; I685-S688 PolarHBondContact O-N 3.25Å; V686-S688 VanDerWaalsContact C-N 3.34Å; V686-S688 PolarHBondContact O-N 2.83Å; S688-H691 PolarHBondContact O-N 3.37Å; S688-L692 VanDerWaalsContact O-CB 3.27Å; S688-L692 WeakPolarHBondContact O-CB 3.05Å; S688-L692 PolarHBondContact O-N 2.88Å
689	T	94.5	Very high	92.6	Very high	75 Å²	75	48.4 Å²	48.4	46%	0.46	27%	0.268	S	S	.	.	H	α-helix	trans	-70.5	-39.3	176.9	50.6	0	0	0	0	112	I685 V686 H691 L692 F693	I685-T689 HydrophobicContact CG2-CG2 4.33Å; I685-T689 WeakPolarHBondContact O-CB 3.46Å; I685-T689 VanDerWaalsContact O-CG2 3.32Å; I685-T689 WeakPolarHBondContact O-CG2 3.18Å; I685-T689 PolarHBondContact O-N 2.99Å; I685-T689 PolarHBondContact O-OG1 2.8Å; V686-T689 WeakPolarHBondContact CA-OG1 3.42Å; V686-T689 PolarHBondContact O-N 3.27Å; V686-T689 PolarHBondContact O-OG1 2.03Å; T689-H691 VanDerWaalsContact C-N 3.32Å; T689-H691 PolarHBondContact O-N 2.96Å; T689-L692 PolarHBondContact O-N 3.23Å; T689-F693 WeakPolarHBondContact O-CB 3.02Å; T689-F693 PolarHBondContact O-N 2.89Å
690	V	95.8	Very high	93	Very high	68 Å²	68	51.6 Å²	51.6	41%	0.412	29%	0.293	S	S	.	.	H	α-helix	trans	-58.3	-47.7	171.2	169.1	0	0	0	0	109.9	V686 F693 L694	V686-V690 WeakPolarHBondContact O-CB 3.44Å; V686-V690 VanDerWaalsContact O-CG2 3.25Å; V686-V690 WeakPolarHBondContact O-CG2 3.49Å; V686-V690 PolarHBondContact O-N 2.61Å; V690-F693 WeakPolarHBondContact O-CB 3.47Å; V690-F693 PolarHBondContact O-N 2.86Å; V690-L694 WeakPolarHBondContact O-CG 3.41Å; V690-L694 PolarHBondContact O-N 2.81Å
691	H	96.6	Very high	93.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-68.7	-36.8	180	-159.2	77.4	0	0	0	113.4	S640 A644 S687 S688 T689 F693 L694 C695 A732 H735 N736	S640-H691 PolarHBondContact O-NE2 2.85Å; S640-H691 PolarHBondContact OG-CE1 3.35Å; S640-H691 PolarHBondContact OG-NE2 3.04Å; A644-H691 HydrophobicContact CB-CB 3.99Å; A644-H691 WeakPolarHBondContact CB-CD2 3.08Å; S687-H691 WeakPolarHBondContact O-CB 3.49Å; S687-H691 PolarHBondContact O-N 3.12Å; S688-H691 PolarHBondContact O-N 3.37Å; T689-H691 VanDerWaalsContact C-N 3.32Å; T689-H691 PolarHBondContact O-N 2.96Å; H691-F693 VanDerWaalsContact C-N 3.33Å; H691-L694 PolarHBondContact O-N 3.29Å; H691-C695 PolarHBondContact O-N 3.3Å; H691-C695 PolarHBondContact O-SG 3.48Å; H691-A732 PolarHBondContact CE1-O 2.97Å; H691-A732 VanDerWaalsContact CE1-O 3.3Å; H691-H735 AromaticContact CE1-ND1 3.88Å; H691-H735 AromaticContact CG-ND1 3.76Å; H691-H735 AromaticContact ND1-CE1 3.71Å; H691-H735 AromaticContact ND1-CG 3.58Å; H691-H735 AromaticContact ND1-ND1 2.93Å; H691-H735 PolarHBondContact ND1-ND1 3.26Å; H691-N736 PolarHBondContact CE1-ND2 3.16Å; H691-N736 PolarHBondContact NE2-ND2 3.38Å
692	L	95.9	Very high	93.5	Very high	74 Å²	74	59.9 Å²	59.9	39%	0.387	32%	0.321	S	S	.	.	H	α-helix	trans	-60.6	-44.2	172.6	178.1	63.2	0	0	0	110.8	L641 S688 T689 L694 C695 L696	L641-L692 HydrophobicContact CD1-CB 4.08Å; L641-L692 HydrophobicContact CD1-CD1 4.34Å; L641-L692 HydrophobicContact CD2-CD1 3.8Å; S688-L692 VanDerWaalsContact O-CB 3.27Å; S688-L692 WeakPolarHBondContact O-CB 3.05Å; S688-L692 PolarHBondContact O-N 2.88Å; T689-L692 PolarHBondContact O-N 3.23Å; L692-L694 VanDerWaalsContact C-N 3.34Å; L692-L694 PolarHBondContact O-N 3.48Å; L692-C695 PolarHBondContact O-N 3.21Å; L692-L696 HydrophobicContact CD1-CD1 4.27Å; L692-L696 HydrophobicContact CD1-CG 4.24Å; L692-L696 HydrophobicContact CG-CD1 4.04Å; L692-L696 HydrophobicContact CG-CG 4.41Å; L692-L696 WeakPolarHBondContact O-CB 3.39Å; L692-L696 VanDerWaalsContact O-CG 3.31Å; L692-L696 WeakPolarHBondContact O-CG 3.42Å; L692-L696 PolarHBondContact O-N 3.01Å
693	F	95.7	Very high	93.6	Very high	135 Å²	135	57.8 Å²	57.8	59%	0.592	31%	0.312	S	S	*	.	H	α-helix	trans	-60.5	-43.1	175.3	-179.1	-100.5	0	0	0	111.6	T689 V690 H691 C695 L696 T697	T689-F693 WeakPolarHBondContact O-CB 3.02Å; T689-F693 PolarHBondContact O-N 2.89Å; V690-F693 WeakPolarHBondContact O-CB 3.47Å; V690-F693 PolarHBondContact O-N 2.86Å; H691-F693 VanDerWaalsContact C-N 3.33Å; F693-C695 VanDerWaalsContact C-N 3.34Å; F693-C695 PolarHBondContact O-N 2.91Å; F693-L696 PolarHBondContact O-N 3.33Å; F693-T697 HydrophobicContact CD1-CG2 4.08Å; F693-T697 HydrophobicContact CD2-CG2 4.28Å; F693-T697 HydrophobicContact CE1-CG2 3.65Å; F693-T697 HydrophobicContact CE2-CG2 3.87Å; F693-T697 HydrophobicContact CG-CG2 4.38Å; F693-T697 HydrophobicContact CZ-CG2 3.53Å; F693-T697 WeakPolarHBondContact O-CG2 3.19Å; F693-T697 PolarHBondContact O-N 3.28Å; F693-T697 PolarHBondContact O-OG1 3Å
694	L	94.7	Very high	93.5	Very high	32 Å²	32	54.7 Å²	54.7	17%	0.168	30%	0.299	C	S	.	.	H	α-helix	trans	-60.4	-41.3	174	-67	178.8	0	0	0	112.5	V690 H691 L692 T697 W698 V731 H735	V690-L694 WeakPolarHBondContact O-CG 3.41Å; V690-L694 PolarHBondContact O-N 2.81Å; H691-L694 PolarHBondContact O-N 3.29Å; L692-L694 VanDerWaalsContact C-N 3.34Å; L692-L694 PolarHBondContact O-N 3.48Å; L694-T697 PolarHBondContact O-OG1 3.4Å; L694-T697 VanDerWaalsContact O-OG1 3.07Å; L694-W698 VanDerWaalsContact O-CB 3.22Å; L694-W698 WeakPolarHBondContact O-CB 3.29Å; L694-W698 PolarHBondContact O-N 3.03Å; L694-V731 HydrophobicContact CD1-CG1 4.4Å; L694-V731 HydrophobicContact CD2-CG1 3.78Å; L694-H735 HydrophobicContact CD1-CB 3.71Å
695	C	94	Very high	93.4	Very high	4 Å²	4	61.9 Å²	61.9	3%	0.027	33%	0.326	C	S	.	.	H	α-helix	trans	-67.6	-39.3	176.7	-67.1	0	0	0	0	112.1	H691 L692 F693 L699	H691-C695 PolarHBondContact O-N 3.3Å; H691-C695 PolarHBondContact O-SG 3.48Å; L692-C695 PolarHBondContact O-N 3.21Å; F693-C695 VanDerWaalsContact C-N 3.34Å; F693-C695 PolarHBondContact O-N 2.91Å; C695-L699 WeakPolarHBondContact O-CB 3.25Å; C695-L699 WeakPolarHBondContact O-CG 3.36Å; C695-L699 PolarHBondContact O-N 3.35Å
696	L	94.4	Very high	93.2	Very high	97 Å²	97	59 Å²	59	51%	0.508	32%	0.315	S	S	.	.	H	α-helix	trans	-70.3	-42.3	178.9	-70.6	174.7	0	0	0	112.2	L692 F693 W698 L699 A700	L692-L696 HydrophobicContact CD1-CD1 4.27Å; L692-L696 HydrophobicContact CD1-CG 4.24Å; L692-L696 HydrophobicContact CG-CD1 4.04Å; L692-L696 HydrophobicContact CG-CG 4.41Å; L692-L696 WeakPolarHBondContact O-CB 3.39Å; L692-L696 VanDerWaalsContact O-CG 3.31Å; L692-L696 WeakPolarHBondContact O-CG 3.42Å; L692-L696 PolarHBondContact O-N 3.01Å; F693-L696 PolarHBondContact O-N 3.33Å; L696-W698 VanDerWaalsContact C-N 3.32Å; L696-L699 PolarHBondContact O-N 2.9Å; L696-A700 VanDerWaalsContact O-CB 3.31Å; L696-A700 WeakPolarHBondContact O-CB 3.39Å; L696-A700 PolarHBondContact O-N 3.11Å
697	T	92.5	Very high	92.9	Very high	46 Å²	46	58.1 Å²	58.1	28%	0.282	31%	0.309	S	S	.	.	H	α-helix	trans	-65.6	-38.9	174.9	54.4	0	0	0	0	111.1	F693 L694 A700 M701	F693-T697 HydrophobicContact CD1-CG2 4.08Å; F693-T697 HydrophobicContact CD2-CG2 4.28Å; F693-T697 HydrophobicContact CE1-CG2 3.65Å; F693-T697 HydrophobicContact CE2-CG2 3.87Å; F693-T697 HydrophobicContact CG-CG2 4.38Å; F693-T697 HydrophobicContact CZ-CG2 3.53Å; F693-T697 WeakPolarHBondContact O-CG2 3.19Å; F693-T697 PolarHBondContact O-N 3.28Å; F693-T697 PolarHBondContact O-OG1 3Å; L694-T697 PolarHBondContact O-OG1 3.4Å; L694-T697 VanDerWaalsContact O-OG1 3.07Å; T697-A700 PolarHBondContact O-N 3.3Å; T697-M701 WeakPolarHBondContact O-CB 3.38Å; T697-M701 WeakPolarHBondContact O-CG 3.44Å; T697-M701 PolarHBondContact O-N 3.33Å
698	W	93.2	Very high	92.5	Very high	5 Å²	5	62.5 Å²	62.5	2%	0.019	32%	0.324	C	S	.	.	H	α-helix	trans	-58.2	-52.2	172.2	173.3	26.1	0	0	0	111.6	Q636 P637 L694 L696 A700 M701 W702 S726 F729 A732	Q636-W698 HydrophobicContact CB-CH2 3.59Å; Q636-W698 HydrophobicContact CB-CZ3 4.31Å; Q636-W698 HydrophobicContact CG-CH2 3.53Å; Q636-W698 HydrophobicContact CG-CZ3 4.17Å; P637-W698 HydrophobicContact CB-CE3 4.37Å; P637-W698 HydrophobicContact CB-CZ3 4.16Å; P637-W698 HydrophobicContact CG-CE3 3.91Å; P637-W698 HydrophobicContact CG-CH2 3.98Å; P637-W698 HydrophobicContact CG-CZ3 3.62Å; L694-W698 VanDerWaalsContact O-CB 3.22Å; L694-W698 WeakPolarHBondContact O-CB 3.29Å; L694-W698 PolarHBondContact O-N 3.03Å; L696-W698 VanDerWaalsContact C-N 3.32Å; W698-A700 VanDerWaalsContact C-N 3.27Å; W698-A700 PolarHBondContact O-N 3.25Å; W698-M701 PolarHBondContact O-N 3.16Å; W698-W702 CarbonylContact O-C 3.59Å; W698-W702 WeakPolarHBondContact O-CA 3.27Å; W698-W702 PolarHBondContact O-N 3.08Å; W698-S726 PolarHBondContact NE1-OG 3.2Å; W698-F729 HydrophobicContact CD2-CB 4.46Å; W698-F729 HydrophobicContact CH2-CB 4.07Å; W698-F729 AromaticContact CH2-CD2 3.64Å; W698-F729 HydrophobicContact CH2-CD2 3.64Å; W698-F729 HydrophobicContact CH2-CG 4.31Å; W698-F729 HydrophobicContact CZ2-CB 3.61Å; W698-F729 AromaticContact CZ2-CD2 3.98Å; W698-F729 HydrophobicContact CZ2-CD2 3.98Å; W698-F729 HydrophobicContact CZ2-CG 4.22Å; W698-F729 HydrophobicContact CZ3-CD2 4.29Å; W698-A732 HydrophobicContact CE3-CB 4.36Å
699	L	92.2	Very high	91.9	Very high	41 Å²	41	64.5 Å²	64.5	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-61.5	-33.3	178.4	-76.8	176	0	0	0	113.4	L633 P637 C695 L696 T703 P704	L633-L699 HydrophobicContact CD2-CD2 3.74Å; P637-L699 HydrophobicContact CB-CD1 4.22Å; P637-L699 HydrophobicContact CB-CG 4.37Å; P637-L699 HydrophobicContact CG-CD1 4.35Å; P637-L699 HydrophobicContact CG-CD2 3.76Å; P637-L699 HydrophobicContact CG-CG 4.07Å; C695-L699 WeakPolarHBondContact O-CB 3.25Å; C695-L699 WeakPolarHBondContact O-CG 3.36Å; C695-L699 PolarHBondContact O-N 3.35Å; L696-L699 PolarHBondContact O-N 2.9Å; L699-T703 VanDerWaalsContact O-CA 3.31Å; L699-T703 WeakPolarHBondContact O-CA 3.37Å; L699-T703 WeakPolarHBondContact O-CB 3.45Å; L699-T703 PolarHBondContact O-OG1 3.15Å; L699-P704 HydrophobicContact CD2-CG 4.47Å
700	A	91.6	Very high	91.2	Very high	74 Å²	74	64.4 Å²	64.4	61%	0.612	32%	0.323	S	S	*	.	H	α-helix	trans	-77.1	-41.4	-179.6	0	0	0	0	0	113.2	L696 T697 W698	L696-A700 VanDerWaalsContact O-CB 3.31Å; L696-A700 WeakPolarHBondContact O-CB 3.39Å; L696-A700 PolarHBondContact O-N 3.11Å; T697-A700 PolarHBondContact O-N 3.3Å; W698-A700 VanDerWaalsContact C-N 3.27Å; W698-A700 PolarHBondContact O-N 3.25Å
701	M	91	Very high	90.2	Very high	136 Å²	136	69.8 Å²	69.8	67%	0.67	34%	0.344	S	S	*	.	H	α-helix	trans	-90.1	-32.3	-174.1	-63.6	-60.3	-64.8	0	0	112.9	T697 W698	T697-M701 WeakPolarHBondContact O-CB 3.38Å; T697-M701 WeakPolarHBondContact O-CG 3.44Å; T697-M701 PolarHBondContact O-N 3.33Å; W698-M701 PolarHBondContact O-N 3.16Å
702	W	91.9	Very high	89.1	Confident	79 Å²	79	73.4 Å²	73.4	30%	0.299	36%	0.357	S	S	.	.	S	Bend	trans	-132.5	60.9	-179.1	-57.7	-87.4	0	0	0	110.2	W698 P704 E723 V727	W698-W702 CarbonylContact O-C 3.59Å; W698-W702 WeakPolarHBondContact O-CA 3.27Å; W698-W702 PolarHBondContact O-N 3.08Å; W702-P704 WeakPolarHBondContact O-CD 3.46Å; W702-P704 VanDerWaalsContact O-N 3.13Å; W702-E723 HydrophobicContact CB-CB 4.14Å; W702-E723 HydrophobicContact CB-CG 4.14Å; W702-V727 HydrophobicContact CH2-CB 4.15Å; W702-V727 HydrophobicContact CH2-CG1 4.42Å; W702-V727 HydrophobicContact CZ2-CB 3.87Å
703	T	90.8	Very high	88.2	Confident	51 Å²	51	73.4 Å²	73.4	31%	0.313	36%	0.355	S	S	.	.			trans	-58.2	114	-177.1	-50.2	0	0	0	0	111.3	L633 L699 R705	L633-T703 HydrophobicContact CD2-CG2 3.78Å; L699-T703 VanDerWaalsContact O-CA 3.31Å; L699-T703 WeakPolarHBondContact O-CA 3.37Å; L699-T703 WeakPolarHBondContact O-CB 3.45Å; L699-T703 PolarHBondContact O-OG1 3.15Å; T703-R705 HydrophobicContact CG2-CG 4.36Å; T703-R705 PolarHBondContact O-N 3.17Å
704	P	90.2	Very high	87.1	Confident	7 Å²	7	70.3 Å²	70.3	5%	0.045	35%	0.348	C	S	.	.			trans	-67.9	120.8	176.9	-20.4	34.4	0	0	0	110.6	C632 L699 W702 C721	C632-P704 HydrophobicContact CB-CB 4.15Å; C632-P704 WeakPolarHBondContact CB-O 3.48Å; L699-P704 HydrophobicContact CD2-CG 4.47Å; W702-P704 WeakPolarHBondContact O-CD 3.46Å; W702-P704 VanDerWaalsContact O-N 3.13Å; P704-C721 HydrophobicContact CB-CB 4.43Å
705	R	89.8	Confident	86.3	Confident	159 Å²	159	72.8 Å²	72.8	60%	0.6	36%	0.358	S	S	*	.			trans	-124.7	152.1	178.3	-66.7	-172.9	-178.6	-165.1	1.6	110.8	T703 T707 C721 T722	T703-R705 HydrophobicContact CG2-CG 4.36Å; T703-R705 PolarHBondContact O-N 3.17Å; R705-T707 PolarHBondContact O-N 3.21Å; R705-C721 CarbonylContact O-C 3.53Å; R705-C721 WeakPolarHBondContact O-CA 3.32Å; R705-T722 PolarHBondContact N-OG1 3.24Å; R705-T722 PolarHBondContact O-N 2.85Å; R705-T722 PolarHBondContact O-OG1 3.05Å
706	P	90	Very high	85.7	Confident	52 Å²	52	73.3 Å²	73.3	34%	0.338	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	128.2	172.5	-22.9	34.5	0	0	0	111.6	P627 V629	P627-P706 HydrophobicContact CB-CB 4.12Å; P627-P706 HydrophobicContact CB-CG 4.34Å; P627-P706 WeakPolarHBondContact O-CG 3.27Å; V629-P706 HydrophobicContact CG2-CG 4.36Å
707	T	87.6	Confident	85.2	Confident	56 Å²	56	68.7 Å²	68.7	34%	0.344	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	159.4	174	40.9	0	0	0	0	112.8	R705 E720 T722	R705-T707 PolarHBondContact O-N 3.21Å; T707-E720 PolarHBondContact N-O 3.41Å; T707-E720 PolarHBondContact O-N 3.38Å; T707-T722 HydrophobicContact CG2-CG2 3.1Å; T707-T722 WeakPolarHBondContact OG1-CG2 3.46Å
708	R	84.9	Confident	84.8	Confident	103 Å²	103	67 Å²	67	39%	0.389	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.3	173.3	-66.6	-174.5	168.4	-156.6	-10.1	108.1	E543 Y710 V717 L719	E543-R708 IonicContact OE1-CZ 3.23Å; E543-R708 IonicContact OE1-NH1 2.75Å; E543-R708 PolarHBondContact OE1-NH1 3.35Å; E543-R708 IonicContact OE2-NH1 3.16Å; E543-R708 PolarHBondContact OE2-NH1 2.84Å; E543-R708 VanDerWaalsContact OE2-NH1 3.13Å; R708-Y710 HydrophobicContact CB-CE1 4.43Å; R708-Y710 HydrophobicContact CB-CE2 3.86Å; R708-Y710 VanDerWaalsContact CD-OH 3.3Å; R708-Y710 WeakPolarHBondContact CD-OH 3.38Å; R708-V717 HydrophobicContact CB-CG1 3.81Å; R708-V717 HydrophobicContact CG-CG1 4.04Å; R708-L719 HydrophobicContact CG-CD2 3.59Å
709	E	82.6	Confident	84.5	Confident	60 Å²	60	67.7 Å²	67.7	28%	0.28	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.8	175.8	-177	49.9	-107.5	0	0	110.1	Q711 I718	E709-Q711 WeakPolarHBondContact OE1-CB 3.45Å; E709-Q711 PolarHBondContact OE1-N 3.37Å; E709-I718 PolarHBondContact N-O 2.87Å; E709-I718 VanDerWaalsContact N-O 3.1Å; E709-I718 PolarHBondContact O-N 3.4Å
710	Y	79.3	Confident	84.2	Confident	74 Å²	74	68.1 Å²	68.1	29%	0.29	33%	0.331	S	S	.	.			trans	-114.8	-17.6	-172.4	-61.6	-77.5	0	0	0	113.7	E543 R556 R708 V717	E543-Y710 PolarHBondContact OE1-OH 3.22Å; R556-Y710 PolarHBondContact NH1-O 2.81Å; R708-Y710 HydrophobicContact CB-CE1 4.43Å; R708-Y710 HydrophobicContact CB-CE2 3.86Å; R708-Y710 VanDerWaalsContact CD-OH 3.3Å; R708-Y710 WeakPolarHBondContact CD-OH 3.38Å; Y710-V717 HydrophobicContact CD1-CG1 4.47Å; Y710-V717 HydrophobicContact CD1-CG2 3.89Å; Y710-V717 HydrophobicContact CE1-CG1 4.06Å; Y710-V717 HydrophobicContact CE1-CG2 3.76Å
711	Q	75	Confident	84.1	Confident	180 Å²	180	65.2 Å²	65.2	84%	0.841	31%	0.306	S	S	*	.	S	Bend	trans	-84.5	-25.4	-169.4	-64.1	-174.8	-8.9	0	0	112.9	E709	E709-Q711 WeakPolarHBondContact OE1-CB 3.45Å; E709-Q711 PolarHBondContact OE1-N 3.37Å
712	R	73.9	Confident	83.9	Confident	76 Å²	76	60.5 Å²	60.5	29%	0.287	28%	0.284	S	S	.	.	S	Bend	trans	-71.1	-37.8	-170.9	-160.7	177.6	-68.2	143.7	14.7	113.1	E720 Q785	R712-E720 IonicContact CZ-OE1 2.78Å; R712-E720 IonicContact NH1-OE1 3.96Å; R712-E720 IonicContact NH1-OE2 2.7Å; R712-E720 PolarHBondContact NH1-OE2 2.93Å; R712-E720 IonicContact NH2-OE1 3.13Å; R712-E720 PolarHBondContact NH2-OE1 3.31Å; R712-E720 VanDerWaalsContact NH2-OE1 3.11Å; R712-E720 IonicContact NH2-OE2 3.87Å; R712-Q785 WeakPolarHBondContact CD-O 3.09Å; R712-Q785 PolarHBondContact NH1-O 2.81Å
713	F	75.9	Confident	83.3	Confident	75 Å²	75	61.1 Å²	61.1	33%	0.329	29%	0.291	S	S	.	.			trans	-142	135.2	177.2	-60.1	-79.2	0	0	0	109.9	H715 L716 I718	F713-H715 VanDerWaalsContact C-N 3.3Å; F713-H715 PolarHBondContact O-N 3.26Å; F713-L716 HydrophobicContact CB-CB 3.96Å; F713-L716 HydrophobicContact CB-CD1 3.93Å; F713-L716 HydrophobicContact CB-CG 4.14Å; F713-L716 HydrophobicContact CD2-CD1 3.89Å; F713-L716 HydrophobicContact CG-CD1 3.87Å; F713-I718 HydrophobicContact CD2-CD1 3.9Å; F713-I718 HydrophobicContact CE2-CD1 3.93Å
714	P	74.2	Confident	82.4	Confident	69 Å²	69	62 Å²	62	45%	0.448	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-30.1	-174.6	25	-33.3	0	0	0	113.3	W545 R556	W545-P714 WeakPolarHBondContact CB-O 3.41Å; R556-P714 PolarHBondContact NE-O 2.89Å
715	H	77.6	Confident	81.9	Confident	84 Å²	84	66.3 Å²	66.3	39%	0.389	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-5.4	-174.6	61.4	-80.3	0	0	0	114.2	W545 T557 F713	W545-H715 HydrophobicContact CD2-CB 4.26Å; W545-H715 HydrophobicContact CE3-CB 3.92Å; W545-H715 HydrophobicContact CZ3-CB 4.21Å; T557-H715 PolarHBondContact N-O 2.96Å; T557-H715 PolarHBondContact OG1-O 3.39Å; F713-H715 VanDerWaalsContact C-N 3.3Å; F713-H715 PolarHBondContact O-N 3.26Å
716	L	81.8	Confident	81.8	Confident	16 Å²	16	59 Å²	59	8%	0.084	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	150	-177.5	-57.5	165.6	0	0	0	111.5	T557 E559 F713	T557-L716 CarbonylContact O-C 3.38Å; T557-L716 VanDerWaalsContact O-CA 3.29Å; T557-L716 WeakPolarHBondContact O-CA 3.45Å; T557-L716 WeakPolarHBondContact OG1-CD2 3.42Å; E559-L716 HydrophobicContact CG-CD2 3.9Å; F713-L716 HydrophobicContact CB-CB 3.96Å; F713-L716 HydrophobicContact CB-CD1 3.93Å; F713-L716 HydrophobicContact CB-CG 4.14Å; F713-L716 HydrophobicContact CD2-CD1 3.89Å; F713-L716 HydrophobicContact CG-CD1 3.87Å
717	V	84.1	Confident	81.7	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	109.1	164.2	-179	0	0	0	0	107.2	R556 T557 V558 E559 R708 Y710 L719	R556-V717 HydrophobicContact CB-CG2 3.74Å; R556-V717 HydrophobicContact CG-CG2 4.43Å; T557-V717 PolarHBondContact O-N 2.96Å; V558-V717 WeakPolarHBondContact CA-O 3.36Å; V558-V717 HydrophobicContact CG2-CB 4.28Å; E559-V717 PolarHBondContact N-O 3.43Å; R708-V717 HydrophobicContact CB-CG1 3.81Å; R708-V717 HydrophobicContact CG-CG1 4.04Å; Y710-V717 HydrophobicContact CD1-CG1 4.47Å; Y710-V717 HydrophobicContact CD1-CG2 3.89Å; Y710-V717 HydrophobicContact CE1-CG1 4.06Å; Y710-V717 HydrophobicContact CE1-CG2 3.76Å; V717-L719 HydrophobicContact CG1-CD2 4.42Å
718	I	84	Confident	81.7	Confident	9 Å²	9	58.5 Å²	58.5	5%	0.046	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.6	178.2	-60.9	175.1	0	0	0	108.2	E709 F713	E709-I718 PolarHBondContact N-O 2.87Å; E709-I718 VanDerWaalsContact N-O 3.1Å; E709-I718 PolarHBondContact O-N 3.4Å; F713-I718 HydrophobicContact CD2-CD1 3.9Å; F713-I718 HydrophobicContact CE2-CD1 3.93Å
719	L	86.5	Confident	82	Confident	20 Å²	20	54 Å²	54	11%	0.105	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	109.2	173	-57	179.9	0	0	0	110.2	V558 E559 F560 K626 P627 R708 V717	V558-L719 HydrophobicContact CG1-CD1 3.57Å; V558-L719 HydrophobicContact CG1-CD2 4.19Å; V558-L719 HydrophobicContact CG1-CG 3.64Å; E559-L719 PolarHBondContact O-N 2.59Å; F560-L719 HydrophobicContact CB-CB 4.12Å; F560-L719 HydrophobicContact CB-CD1 4.49Å; F560-L719 HydrophobicContact CD1-CD1 4.04Å; F560-L719 HydrophobicContact CG-CD1 4.5Å; K626-L719 HydrophobicContact CD-CD1 4.43Å; K626-L719 HydrophobicContact CG-CD1 3.97Å; P627-L719 HydrophobicContact CG-CB 4.11Å; R708-L719 HydrophobicContact CG-CD2 3.59Å; V717-L719 HydrophobicContact CG1-CD2 4.42Å
720	E	86.6	Confident	82.4	Confident	51 Å²	51	55.2 Å²	55.2	24%	0.238	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	170.7	178.3	56.7	-168.7	-169.9	0	0	111.4	T707 R712	T707-E720 PolarHBondContact N-O 3.41Å; T707-E720 PolarHBondContact O-N 3.38Å; R712-E720 IonicContact CZ-OE1 2.78Å; R712-E720 IonicContact NH1-OE1 3.96Å; R712-E720 IonicContact NH1-OE2 2.7Å; R712-E720 PolarHBondContact NH1-OE2 2.93Å; R712-E720 IonicContact NH2-OE1 3.13Å; R712-E720 PolarHBondContact NH2-OE1 3.31Å; R712-E720 VanDerWaalsContact NH2-OE1 3.11Å; R712-E720 IonicContact NH2-OE2 3.87Å
721	C	88.8	Confident	83.1	Confident	13 Å²	13	55.2 Å²	55.2	9%	0.088	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	141.3	167.2	-59.4	0	0	0	0	107.7	C632 R635 P704 R705 V724	C632-C721 WeakPolarHBondContact CA-SG 3.43Å; C632-C721 HydrophobicContact CB-CB 3.85Å; C632-C721 WeakPolarHBondContact CB-SG 3.49Å; C632-C721 WeakPolarHBondContact SG-CB 3.39Å; C632-C721 CovalentContact SG-SG 2.05Å; C632-C721 PolarHBondContact SG-SG 3.32Å; R635-C721 PolarHBondContact NH1-SG 3.02Å; R635-C721 VanDerWaalsContact NH1-SG 3.35Å; P704-C721 HydrophobicContact CB-CB 4.43Å; R705-C721 CarbonylContact O-C 3.53Å; R705-C721 WeakPolarHBondContact O-CA 3.32Å; C721-V724 WeakPolarHBondContact O-CG2 3.33Å
722	T	86.6	Confident	83.9	Confident	36 Å²	36	46.6 Å²	46.6	22%	0.221	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	164.7	173.8	55.9	0	0	0	0	112.1	R705 T707 V724	R705-T722 PolarHBondContact N-OG1 3.24Å; R705-T722 PolarHBondContact O-N 2.85Å; R705-T722 PolarHBondContact O-OG1 3.05Å; T707-T722 HydrophobicContact CG2-CG2 3.1Å; T707-T722 WeakPolarHBondContact OG1-CG2 3.46Å; T722-V724 PolarHBondContact O-N 3.35Å; T722-V724 VanDerWaalsContact O-N 3.12Å
723	E	78.3	Confident	84.8	Confident	93 Å²	93	44.4 Å²	44.4	44%	0.435	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	24.5	165.1	-60.3	-58.6	151.7	0	0	114.7	W702 N725 S726	W702-E723 HydrophobicContact CB-CB 4.14Å; W702-E723 HydrophobicContact CB-CG 4.14Å; E723-N725 PolarHBondContact O-N 3.39Å; E723-N725 VanDerWaalsContact O-N 3.17Å; E723-S726 VanDerWaalsContact O-CB 3.3Å; E723-S726 WeakPolarHBondContact O-CB 3.36Å; E723-S726 PolarHBondContact O-N 3.42Å; E723-S726 PolarHBondContact O-OG 3.15Å; E723-S726 WeakPolarHBondContact OE2-CB 3.3Å
724	V	73.6	Confident	85.7	Confident	68 Å²	68	43.5 Å²	43.5	41%	0.412	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-35.8	-178.7	-171.5	0	0	0	0	112	C721 T722 F729	C721-V724 WeakPolarHBondContact O-CG2 3.33Å; T722-V724 PolarHBondContact O-N 3.35Å; T722-V724 VanDerWaalsContact O-N 3.12Å; V724-F729 VanDerWaalsContact O-CD1 3.23Å; V724-F729 WeakPolarHBondContact O-CD1 3.39Å; V724-F729 WeakPolarHBondContact O-CG 3.46Å
725	N	78.6	Confident	86.7	Confident	98 Å²	98	41.7 Å²	41.7	52%	0.524	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	29.5	178.7	-69.5	-20.7	0	0	0	112.8	E723	E723-N725 PolarHBondContact O-N 3.39Å; E723-N725 VanDerWaalsContact O-N 3.17Å
726	S	87.7	Confident	87.5	Confident	6 Å²	6	38 Å²	38	4%	0.042	22%	0.215	C	C	.	.			trans	-60.2	158.8	177.7	50.1	0	0	0	0	112.6	W698 E723 G728 F729 L730	W698-S726 PolarHBondContact NE1-OG 3.2Å; E723-S726 VanDerWaalsContact O-CB 3.3Å; E723-S726 WeakPolarHBondContact O-CB 3.36Å; E723-S726 PolarHBondContact O-N 3.42Å; E723-S726 PolarHBondContact O-OG 3.15Å; E723-S726 WeakPolarHBondContact OE2-CB 3.3Å; S726-G728 PolarHBondContact O-N 3Å; S726-F729 WeakPolarHBondContact O-CB 3.39Å; S726-F729 PolarHBondContact O-N 2.92Å; S726-F729 VanDerWaalsContact O-N 3.1Å; S726-L730 PolarHBondContact O-N 3.41Å; S726-L730 VanDerWaalsContact O-N 3.1Å
727	V	88.4	Confident	88.1	Confident	91 Å²	91	39.3 Å²	39.3	55%	0.552	22%	0.221	S	C	*	.	H	α-helix	trans	-56.5	-39.2	174.9	179.8	0	0	0	0	110.8	W702 F729 L730 V731	W702-V727 HydrophobicContact CH2-CB 4.15Å; W702-V727 HydrophobicContact CH2-CG1 4.42Å; W702-V727 HydrophobicContact CZ2-CB 3.87Å; V727-F729 PolarHBondContact O-N 2.84Å; V727-L730 PolarHBondContact O-N 2.63Å; V727-V731 HydrophobicContact CG1-CG2 4.37Å; V727-V731 VanDerWaalsContact O-CG2 3.31Å; V727-V731 WeakPolarHBondContact O-CG2 3.3Å; V727-V731 PolarHBondContact O-N 2.72Å
728	G	88.6	Confident	88.6	Confident	6 Å²	6	44.3 Å²	44.3	6%	0.062	25%	0.247	C	C	.	.	H	α-helix	trans	-59.3	-45.2	175.2	0	0	0	0	0	113.5	S726 V731 A732	S726-G728 PolarHBondContact O-N 3Å; G728-V731 PolarHBondContact O-N 2.91Å; G728-A732 PolarHBondContact O-N 2.93Å
729	F	89.9	Confident	89.1	Confident	8 Å²	8	44.3 Å²	44.3	4%	0.035	25%	0.248	C	C	.	.	H	α-helix	trans	-58.2	-48.9	174.3	166.5	-108.8	0	0	0	111.6	Q636 W698 V724 S726 V727 V731 A732 F733 F778	Q636-F729 HydrophobicContact CG-CD2 3.84Å; Q636-F729 HydrophobicContact CG-CE2 3.63Å; W698-F729 HydrophobicContact CD2-CB 4.46Å; W698-F729 HydrophobicContact CH2-CB 4.07Å; W698-F729 AromaticContact CH2-CD2 3.64Å; W698-F729 HydrophobicContact CH2-CD2 3.64Å; W698-F729 HydrophobicContact CH2-CG 4.31Å; W698-F729 HydrophobicContact CZ2-CB 3.61Å; W698-F729 AromaticContact CZ2-CD2 3.98Å; W698-F729 HydrophobicContact CZ2-CD2 3.98Å; W698-F729 HydrophobicContact CZ2-CG 4.22Å; W698-F729 HydrophobicContact CZ3-CD2 4.29Å; V724-F729 VanDerWaalsContact O-CD1 3.23Å; V724-F729 WeakPolarHBondContact O-CD1 3.39Å; V724-F729 WeakPolarHBondContact O-CG 3.46Å; S726-F729 WeakPolarHBondContact O-CB 3.39Å; S726-F729 PolarHBondContact O-N 2.92Å; S726-F729 VanDerWaalsContact O-N 3.1Å; V727-F729 PolarHBondContact O-N 2.84Å; F729-V731 VanDerWaalsContact C-N 3.33Å; F729-V731 PolarHBondContact O-N 3.3Å; F729-A732 PolarHBondContact O-N 3.18Å; F729-F733 HydrophobicContact CE2-CB 4.45Å; F729-F733 HydrophobicContact CE2-CD2 4.49Å; F729-F733 HydrophobicContact CZ-CB 4.46Å; F729-F733 HydrophobicContact CZ-CD2 4.36Å; F729-F733 VanDerWaalsContact O-CB 3.28Å; F729-F733 WeakPolarHBondContact O-CB 3.28Å; F729-F733 PolarHBondContact O-N 3.27Å; F729-F778 AromaticContact CE1-CE1 3.96Å; F729-F778 HydrophobicContact CE1-CE1 3.96Å; F729-F778 AromaticContact CE1-CZ 3.92Å; F729-F778 HydrophobicContact CE1-CZ 3.92Å; F729-F778 HydrophobicContact CZ-CE1 4.32Å; F729-F778 AromaticContact CZ-CZ 3.92Å; F729-F778 HydrophobicContact CZ-CZ 3.92Å
730	L	91.1	Very high	89.5	Confident	87 Å²	87	43.4 Å²	43.4	46%	0.455	24%	0.243	S	C	.	.	H	α-helix	trans	-62.1	-39.4	-178.3	-67.4	174.5	0	0	0	112.2	S726 V727 F733 A734	S726-L730 PolarHBondContact O-N 3.41Å; S726-L730 VanDerWaalsContact O-N 3.1Å; V727-L730 PolarHBondContact O-N 2.63Å; L730-F733 PolarHBondContact O-N 3.08Å; L730-A734 VanDerWaalsContact O-CB 3.26Å; L730-A734 WeakPolarHBondContact O-CB 3.42Å; L730-A734 PolarHBondContact O-N 2.93Å
731	V	93.5	Very high	89.9	Confident	73 Å²	73	44.8 Å²	44.8	44%	0.442	25%	0.251	S	S	.	.	H	α-helix	trans	-67.5	-44.8	177.3	174.1	0	0	0	0	111.4	L694 V727 G728 F729 F733 A734 H735	L694-V731 HydrophobicContact CD1-CG1 4.4Å; L694-V731 HydrophobicContact CD2-CG1 3.78Å; V727-V731 HydrophobicContact CG1-CG2 4.37Å; V727-V731 VanDerWaalsContact O-CG2 3.31Å; V727-V731 WeakPolarHBondContact O-CG2 3.3Å; V727-V731 PolarHBondContact O-N 2.72Å; G728-V731 PolarHBondContact O-N 2.91Å; F729-V731 VanDerWaalsContact C-N 3.33Å; F729-V731 PolarHBondContact O-N 3.3Å; V731-F733 VanDerWaalsContact C-N 3.35Å; V731-A734 PolarHBondContact O-N 3.06Å; V731-H735 PolarHBondContact O-N 2.8Å; V731-H735 VanDerWaalsContact O-N 3.12Å
732	A	93.1	Very high	90.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-43.2	175.6	0	0	0	0	0	111.2	H691 W698 G728 F729 H735 N736	H691-A732 PolarHBondContact CE1-O 2.97Å; H691-A732 VanDerWaalsContact CE1-O 3.3Å; W698-A732 HydrophobicContact CE3-CB 4.36Å; G728-A732 PolarHBondContact O-N 2.93Å; F729-A732 PolarHBondContact O-N 3.18Å; A732-H735 PolarHBondContact O-N 3.07Å; A732-N736 PolarHBondContact O-N 2.79Å
733	F	92.9	Very high	90.3	Very high	30 Å²	30	44.7 Å²	44.7	13%	0.132	25%	0.252	C	S	.	.	H	α-helix	trans	-61.7	-44.3	176.2	-170.5	-95.9	0	0	0	111.8	F729 L730 V731 H735 N736 I737 W774 F778	F729-F733 HydrophobicContact CE2-CB 4.45Å; F729-F733 HydrophobicContact CE2-CD2 4.49Å; F729-F733 HydrophobicContact CZ-CB 4.46Å; F729-F733 HydrophobicContact CZ-CD2 4.36Å; F729-F733 VanDerWaalsContact O-CB 3.28Å; F729-F733 WeakPolarHBondContact O-CB 3.28Å; F729-F733 PolarHBondContact O-N 3.27Å; L730-F733 PolarHBondContact O-N 3.08Å; V731-F733 VanDerWaalsContact C-N 3.35Å; F733-H735 VanDerWaalsContact C-N 3.31Å; F733-H735 PolarHBondContact O-N 3.35Å; F733-N736 WeakPolarHBondContact O-CB 3.41Å; F733-N736 PolarHBondContact O-N 3.42Å; F733-N736 VanDerWaalsContact O-N 3.08Å; F733-I737 HydrophobicContact CD1-CG1 3.94Å; F733-I737 HydrophobicContact CE1-CD1 3.75Å; F733-I737 HydrophobicContact CE1-CG1 3.44Å; F733-I737 VanDerWaalsContact CE1-CG1 3.44Å; F733-I737 HydrophobicContact CZ-CD1 3.75Å; F733-I737 HydrophobicContact CZ-CG1 3.92Å; F733-I737 PolarHBondContact O-N 2.96Å; F733-W774 HydrophobicContact CE2-CB 4.49Å; F733-W774 AromaticContact CE2-CD2 3.63Å; F733-W774 HydrophobicContact CE2-CD2 3.63Å; F733-W774 AromaticContact CE2-CE3 3.64Å; F733-W774 HydrophobicContact CE2-CE3 3.64Å; F733-W774 AromaticContact CE2-CG 4Å; F733-W774 HydrophobicContact CE2-CG 4Å; F733-W774 HydrophobicContact CE2-CZ3 4.2Å; F733-W774 HydrophobicContact CZ-CB 3.86Å; F733-W774 AromaticContact CZ-CD2 3.93Å; F733-W774 HydrophobicContact CZ-CD2 3.93Å; F733-W774 HydrophobicContact CZ-CE3 4.07Å; F733-W774 AromaticContact CZ-CG 3.82Å; F733-W774 HydrophobicContact CZ-CG 3.82Å; F733-F778 AromaticContact CD1-CE2 3.93Å; F733-F778 HydrophobicContact CD1-CE2 3.93Å; F733-F778 AromaticContact CD1-CZ 3.98Å; F733-F778 HydrophobicContact CD1-CZ 3.98Å; F733-F778 HydrophobicContact CD2-CE2 4.41Å; F733-F778 HydrophobicContact CD2-CZ 4.37Å; F733-F778 HydrophobicContact CE1-CD2 4.37Å; F733-F778 AromaticContact CE1-CE2 3.4Å; F733-F778 HydrophobicContact CE1-CE2 3.4Å; F733-F778 AromaticContact CE1-CZ 3.94Å; F733-F778 HydrophobicContact CE1-CZ 3.94Å; F733-F778 AromaticContact CE2-CE2 3.94Å; F733-F778 HydrophobicContact CE2-CE2 3.94Å; F733-F778 HydrophobicContact CE2-CZ 4.34Å; F733-F778 HydrophobicContact CG-CE2 4.43Å; F733-F778 HydrophobicContact CG-CZ 4.23Å; F733-F778 HydrophobicContact CZ-CD2 4.43Å; F733-F778 AromaticContact CZ-CE2 3.44Å; F733-F778 HydrophobicContact CZ-CE2 3.44Å; F733-F778 VanDerWaalsContact CZ-CE2 3.44Å; F733-F778 HydrophobicContact CZ-CZ 4.16Å
734	A	93.9	Very high	91	Very high	55 Å²	55	43 Å²	43	46%	0.455	24%	0.243	S	C	.	.	H	α-helix	trans	-59.6	-39.1	176.8	0	0	0	0	0	112.6	L730 V731 I737 L738	L730-A734 VanDerWaalsContact O-CB 3.26Å; L730-A734 WeakPolarHBondContact O-CB 3.42Å; L730-A734 PolarHBondContact O-N 2.93Å; V731-A734 PolarHBondContact O-N 3.06Å; A734-I737 PolarHBondContact O-N 3.5Å; A734-L738 WeakPolarHBondContact O-CB 3.41Å; A734-L738 PolarHBondContact O-N 2.74Å
735	H	94.8	Very high	91.8	Very high	32 Å²	32	43.2 Å²	43.2	15%	0.148	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-39.4	174	-177.5	-85.2	0	0	0	112.4	H691 L694 V731 A732 F733 L738 L739	H691-H735 AromaticContact CE1-ND1 3.88Å; H691-H735 AromaticContact CG-ND1 3.76Å; H691-H735 AromaticContact ND1-CE1 3.71Å; H691-H735 AromaticContact ND1-CG 3.58Å; H691-H735 AromaticContact ND1-ND1 2.93Å; H691-H735 PolarHBondContact ND1-ND1 3.26Å; L694-H735 HydrophobicContact CD1-CB 3.71Å; V731-H735 PolarHBondContact O-N 2.8Å; V731-H735 VanDerWaalsContact O-N 3.12Å; A732-H735 PolarHBondContact O-N 3.07Å; F733-H735 VanDerWaalsContact C-N 3.31Å; F733-H735 PolarHBondContact O-N 3.35Å; H735-L738 PolarHBondContact O-N 2.86Å; H735-L739 VanDerWaalsContact CE1-CD1 3.48Å; H735-L739 WeakPolarHBondContact CE1-CD1 3.07Å; H735-L739 PolarHBondContact O-N 2.88Å
736	N	94	Very high	92.2	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-41.1	173.7	-98.7	-60.1	0	0	0	112.2	S640 A644 H691 A732 F733 L739 S740	S640-N736 PolarHBondContact O-ND2 3.45Å; S640-N736 VanDerWaalsContact O-ND2 3.11Å; S640-N736 PolarHBondContact OG-ND2 3.46Å; A644-N736 WeakPolarHBondContact CA-OD1 2.99Å; A644-N736 PolarHBondContact N-OD1 2.99Å; H691-N736 PolarHBondContact CE1-ND2 3.16Å; H691-N736 PolarHBondContact NE2-ND2 3.38Å; A732-N736 PolarHBondContact O-N 2.79Å; F733-N736 WeakPolarHBondContact O-CB 3.41Å; F733-N736 PolarHBondContact O-N 3.42Å; F733-N736 VanDerWaalsContact O-N 3.08Å; N736-L739 PolarHBondContact O-N 2.91Å; N736-S740 WeakPolarHBondContact O-CB 3.35Å; N736-S740 PolarHBondContact O-N 3.37Å; N736-S740 PolarHBondContact O-OG 3.38Å
737	I	94.4	Very high	92.2	Very high	43 Å²	43	39.2 Å²	39.2	22%	0.221	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-42.4	174.2	-66.2	-60.8	0	0	0	111	F733 A734 L739 S740 I741 F771	F733-I737 HydrophobicContact CD1-CG1 3.94Å; F733-I737 HydrophobicContact CE1-CD1 3.75Å; F733-I737 HydrophobicContact CE1-CG1 3.44Å; F733-I737 VanDerWaalsContact CE1-CG1 3.44Å; F733-I737 HydrophobicContact CZ-CD1 3.75Å; F733-I737 HydrophobicContact CZ-CG1 3.92Å; F733-I737 PolarHBondContact O-N 2.96Å; A734-I737 PolarHBondContact O-N 3.5Å; I737-L739 PolarHBondContact O-N 2.97Å; I737-S740 WeakPolarHBondContact O-CB 3.36Å; I737-S740 PolarHBondContact O-N 3.2Å; I737-S740 VanDerWaalsContact O-N 3.15Å; I737-I741 HydrophobicContact CG2-CD1 3.75Å; I737-I741 HydrophobicContact CG2-CG1 4.3Å; I737-I741 VanDerWaalsContact O-CG1 3.3Å; I737-I741 WeakPolarHBondContact O-CG1 3.34Å; I737-I741 PolarHBondContact O-N 2.94Å; I737-F771 HydrophobicContact CD1-CD1 4.29Å; I737-F771 HydrophobicContact CD1-CE1 4.3Å
738	L	94.9	Very high	92	Very high	104 Å²	104	41.1 Å²	41.1	55%	0.545	22%	0.222	S	C	.	.	H	α-helix	trans	-60.4	-44.2	176.2	-179	64.3	0	0	0	112.1	A734 H735 S740 I741 S742	A734-L738 WeakPolarHBondContact O-CB 3.41Å; A734-L738 PolarHBondContact O-N 2.74Å; H735-L738 PolarHBondContact O-N 2.86Å; L738-S740 VanDerWaalsContact C-N 3.34Å; L738-I741 PolarHBondContact O-N 2.77Å; L738-S742 WeakPolarHBondContact O-CB 3.45Å; L738-S742 PolarHBondContact O-N 3.18Å; L738-S742 PolarHBondContact O-OG 3.25Å
739	L	95.2	Very high	91.7	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.052	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-39.7	173.4	-76.4	178.4	0	0	0	112	A644 L647 S687 H735 N736 I737 S742 T743	A644-L739 HydrophobicContact CB-CD1 4.04Å; L647-L739 HydrophobicContact CB-CB 3.94Å; L647-L739 HydrophobicContact CB-CD1 4.38Å; L647-L739 HydrophobicContact CD1-CB 3.92Å; S687-L739 WeakPolarHBondContact OG-CD2 3.43Å; H735-L739 VanDerWaalsContact CE1-CD1 3.48Å; H735-L739 WeakPolarHBondContact CE1-CD1 3.07Å; H735-L739 PolarHBondContact O-N 2.88Å; N736-L739 PolarHBondContact O-N 2.91Å; I737-L739 PolarHBondContact O-N 2.97Å; L739-S742 PolarHBondContact O-N 3.46Å; L739-T743 WeakPolarHBondContact O-CB 3.4Å; L739-T743 PolarHBondContact O-N 3.23Å; L739-T743 PolarHBondContact O-OG1 2.77Å
740	S	94.5	Very high	91	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-42.9	177.2	-62	0	0	0	0	111.6	L647 N736 I737 L738 T743 F744 H770	L647-S740 WeakPolarHBondContact CD1-OG 3.48Å; N736-S740 WeakPolarHBondContact O-CB 3.35Å; N736-S740 PolarHBondContact O-N 3.37Å; N736-S740 PolarHBondContact O-OG 3.38Å; I737-S740 WeakPolarHBondContact O-CB 3.36Å; I737-S740 PolarHBondContact O-N 3.2Å; I737-S740 VanDerWaalsContact O-N 3.15Å; L738-S740 VanDerWaalsContact C-N 3.34Å; S740-T743 PolarHBondContact O-N 3.05Å; S740-F744 VanDerWaalsContact O-CB 3.24Å; S740-F744 WeakPolarHBondContact O-CB 3.32Å; S740-F744 PolarHBondContact O-N 3.31Å; S740-H770 PolarHBondContact OG-NE2 3.46Å
741	I	94.7	Very high	90.1	Very high	81 Å²	81	43.4 Å²	43.4	42%	0.415	23%	0.231	S	C	.	.	H	α-helix	trans	-64.4	-44.1	175.6	-68.6	168.1	0	0	0	109.9	I737 L738 T743 F744 V745 F771	I737-I741 HydrophobicContact CG2-CD1 3.75Å; I737-I741 HydrophobicContact CG2-CG1 4.3Å; I737-I741 VanDerWaalsContact O-CG1 3.3Å; I737-I741 WeakPolarHBondContact O-CG1 3.34Å; I737-I741 PolarHBondContact O-N 2.94Å; L738-I741 PolarHBondContact O-N 2.77Å; I741-T743 PolarHBondContact O-N 2.95Å; I741-F744 WeakPolarHBondContact O-CB 3.44Å; I741-F744 PolarHBondContact O-N 2.94Å; I741-V745 HydrophobicContact CG2-CG2 4.35Å; I741-V745 VanDerWaalsContact O-CG2 3.31Å; I741-V745 WeakPolarHBondContact O-CG2 3.5Å; I741-V745 PolarHBondContact O-N 3.27Å; I741-F771 HydrophobicContact CG1-CE1 4.2Å; I741-F771 HydrophobicContact CG1-CZ 3.93Å
742	S	92.8	Very high	88.9	Confident	46 Å²	46	46.4 Å²	46.4	32%	0.322	24%	0.24	S	C	.	.	H	α-helix	trans	-62.3	-43.3	177	-67.3	0	0	0	0	111.8	L738 L739 C746	L738-S742 WeakPolarHBondContact O-CB 3.45Å; L738-S742 PolarHBondContact O-N 3.18Å; L738-S742 PolarHBondContact O-OG 3.25Å; L739-S742 PolarHBondContact O-N 3.46Å; S742-C746 WeakPolarHBondContact O-CB 3.43Å; S742-C746 PolarHBondContact O-N 3.08Å; S742-C746 PolarHBondContact O-SG 2.75Å
743	T	92.4	Very high	87.6	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-43.8	173.2	-48.4	0	0	0	0	110.7	L647 L650 T651 L739 S740 I741 C746 S747 V763 L767	L647-T743 PolarHBondContact O-OG1 3.16Å; L650-T743 HydrophobicContact CB-CG2 3.65Å; L650-T743 HydrophobicContact CD1-CG2 4.38Å; T651-T743 PolarHBondContact OG1-OG1 3.49Å; L739-T743 WeakPolarHBondContact O-CB 3.4Å; L739-T743 PolarHBondContact O-N 3.23Å; L739-T743 PolarHBondContact O-OG1 2.77Å; S740-T743 PolarHBondContact O-N 3.05Å; I741-T743 PolarHBondContact O-N 2.95Å; T743-C746 PolarHBondContact O-N 3.45Å; T743-S747 WeakPolarHBondContact O-CB 3.41Å; T743-S747 PolarHBondContact O-N 3.38Å; T743-V763 HydrophobicContact CG2-CG1 4.35Å; T743-L767 HydrophobicContact CG2-CD1 3.67Å
744	F	92	Very high	86	Confident	58 Å²	58	46 Å²	46	25%	0.254	24%	0.239	S	C	.	.	H	α-helix	trans	-61.9	-47.8	-179.3	-178.6	-86.3	0	0	0	111.1	S740 I741 S747 Y748 T764 L767 F771	S740-F744 VanDerWaalsContact O-CB 3.24Å; S740-F744 WeakPolarHBondContact O-CB 3.32Å; S740-F744 PolarHBondContact O-N 3.31Å; I741-F744 WeakPolarHBondContact O-CB 3.44Å; I741-F744 PolarHBondContact O-N 2.94Å; F744-S747 PolarHBondContact O-N 3.04Å; F744-Y748 WeakPolarHBondContact O-CB 3.41Å; F744-Y748 PolarHBondContact O-N 3.34Å; F744-T764 HydrophobicContact CD2-CG2 3.91Å; F744-T764 HydrophobicContact CE2-CG2 3.41Å; F744-T764 VanDerWaalsContact CE2-CG2 3.41Å; F744-T764 HydrophobicContact CZ-CG2 3.87Å; F744-L767 HydrophobicContact CB-CD1 3.98Å; F744-L767 HydrophobicContact CD2-CB 4.02Å; F744-F771 HydrophobicContact CB-CE2 4.3Å; F744-F771 HydrophobicContact CD2-CE2 4.08Å; F744-F771 HydrophobicContact CG-CE2 4.31Å
745	V	90.2	Very high	84.3	Confident	73 Å²	73	50.5 Å²	50.5	44%	0.442	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-49.4	177.6	171.9	0	0	0	0	110.4	I741 S747 Y748 L749	I741-V745 HydrophobicContact CG2-CG2 4.35Å; I741-V745 VanDerWaalsContact O-CG2 3.31Å; I741-V745 WeakPolarHBondContact O-CG2 3.5Å; I741-V745 PolarHBondContact O-N 3.27Å; V745-S747 PolarHBondContact O-N 2.61Å; V745-Y748 PolarHBondContact O-N 3.2Å; V745-L749 HydrophobicContact CG1-CD1 4.04Å; V745-L749 VanDerWaalsContact O-CG 3.26Å; V745-L749 WeakPolarHBondContact O-CG 3.49Å; V745-L749 PolarHBondContact O-N 3.46Å
746	C	87.7	Confident	82.5	Confident	18 Å²	18	50.9 Å²	50.9	12%	0.122	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-43.4	179.1	-66.2	0	0	0	0	112	V658 S742 T743 L749 G750	V658-C746 VanDerWaalsContact CG2-O 3.28Å; V658-C746 WeakPolarHBondContact CG2-O 3.47Å; S742-C746 WeakPolarHBondContact O-CB 3.43Å; S742-C746 PolarHBondContact O-N 3.08Å; S742-C746 PolarHBondContact O-SG 2.75Å; T743-C746 PolarHBondContact O-N 3.45Å; C746-L749 PolarHBondContact O-N 2.92Å; C746-G750 PolarHBondContact O-N 2.74Å
747	S	86.6	Confident	80.7	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-42.1	177.6	-170	0	0	0	0	111.3	T743 F744 V745 L749 G750 K751 A760 T764	T743-S747 WeakPolarHBondContact O-CB 3.41Å; T743-S747 PolarHBondContact O-N 3.38Å; F744-S747 PolarHBondContact O-N 3.04Å; V745-S747 PolarHBondContact O-N 2.61Å; S747-L749 PolarHBondContact O-N 3.22Å; S747-G750 WeakPolarHBondContact O-CA 3.49Å; S747-G750 PolarHBondContact O-N 3.4Å; S747-G750 VanDerWaalsContact O-N 3.11Å; S747-K751 PolarHBondContact O-N 3.46Å; S747-A760 WeakPolarHBondContact O-CB 3.03Å; S747-A760 WeakPolarHBondContact OG-CA 3.29Å; S747-A760 PolarHBondContact OG-O 3.3Å; S747-T764 PolarHBondContact OG-OG1 2.87Å; S747-T764 VanDerWaalsContact OG-OG1 3.12Å
748	Y	85.4	Confident	79	Confident	131 Å²	131	53.3 Å²	53.3	51%	0.514	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-43.6	178.4	-174.5	-84.3	0	0	0	111.8	F744 V745 G750 K751 T764	F744-Y748 WeakPolarHBondContact O-CB 3.41Å; F744-Y748 PolarHBondContact O-N 3.34Å; V745-Y748 PolarHBondContact O-N 3.2Å; Y748-G750 PolarHBondContact O-N 2.8Å; Y748-K751 HydrophobicContact CD2-CD 3.9Å; Y748-K751 VanDerWaalsContact CD2-CE 3.45Å; Y748-K751 HydrophobicContact CE2-CD 4.07Å; Y748-K751 HydrophobicContact CG-CD 4.3Å; Y748-K751 WeakPolarHBondContact O-CB 3.27Å; Y748-K751 WeakPolarHBondContact O-CG 3.46Å; Y748-K751 PolarHBondContact O-N 3.28Å; Y748-K751 VanDerWaalsContact O-N 3.13Å; Y748-T764 HydrophobicContact CD2-CG2 4.43Å
749	L	82.2	Confident	77.8	Confident	77 Å²	77	49.6 Å²	49.6	40%	0.403	25%	0.246	S	C	.	.	H	α-helix	trans	-61.3	-26.6	176.1	-70.2	172.3	0	0	0	112.6	V658 K662 V745 C746 S747	V658-L749 HydrophobicContact CG1-CB 4.26Å; V658-L749 HydrophobicContact CG2-CB 3.92Å; K662-L749 PolarHBondContact NZ-O 3.07Å; V745-L749 HydrophobicContact CG1-CD1 4.04Å; V745-L749 VanDerWaalsContact O-CG 3.26Å; V745-L749 WeakPolarHBondContact O-CG 3.49Å; V745-L749 PolarHBondContact O-N 3.46Å; C746-L749 PolarHBondContact O-N 2.92Å; S747-L749 PolarHBondContact O-N 3.22Å
750	G	75.7	Confident	77	Confident	3 Å²	3	49.7 Å²	49.7	3%	0.031	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	5	176.4	0	0	0	0	0	115.9	C746 S747 Y748 E752 L753	C746-G750 PolarHBondContact O-N 2.74Å; S747-G750 WeakPolarHBondContact O-CA 3.49Å; S747-G750 PolarHBondContact O-N 3.4Å; S747-G750 VanDerWaalsContact O-N 3.11Å; Y748-G750 PolarHBondContact O-N 2.8Å; G750-E752 VanDerWaalsContact C-N 3.25Å; G750-E752 PolarHBondContact O-N 2.91Å; G750-L753 WeakPolarHBondContact O-CB 3.37Å; G750-L753 VanDerWaalsContact O-CD1 3.31Å; G750-L753 WeakPolarHBondContact O-CD1 3.4Å; G750-L753 WeakPolarHBondContact O-CG 3.36Å; G750-L753 PolarHBondContact O-N 3.45Å
751	K	71.4	Confident	76.4	Confident	69 Å²	69	54.7 Å²	54.7	30%	0.3	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.9	-175.8	-80.4	179.7	174.7	-177.2	0	115.9	S747 Y748 K761	S747-K751 PolarHBondContact O-N 3.46Å; Y748-K751 HydrophobicContact CD2-CD 3.9Å; Y748-K751 VanDerWaalsContact CD2-CE 3.45Å; Y748-K751 HydrophobicContact CE2-CD 4.07Å; Y748-K751 HydrophobicContact CG-CD 4.3Å; Y748-K751 WeakPolarHBondContact O-CB 3.27Å; Y748-K751 WeakPolarHBondContact O-CG 3.46Å; Y748-K751 PolarHBondContact O-N 3.28Å; Y748-K751 VanDerWaalsContact O-N 3.13Å; K751-K761 HydrophobicContact CG-CG 4.14Å
752	E	67.8	Low	76	Confident	135 Å²	135	53.4 Å²	53.4	63%	0.631	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	6	-177.6	-67.4	170.2	161	0	0	113	K662 G750 Y835	K662-E752 IonicContact NZ-OE2 3.41Å; K662-E752 PolarHBondContact NZ-OE2 3.36Å; G750-E752 VanDerWaalsContact C-N 3.25Å; G750-E752 PolarHBondContact O-N 2.91Å; E752-Y835 WeakPolarHBondContact O-CE2 3.49Å
753	L	66.6	Low	75.8	Confident	12 Å²	12	51.5 Å²	51.5	6%	0.063	25%	0.253	C	S	.	.	S	Bend	trans	-66.4	159.3	178.7	-66.9	176	0	0	0	111.8	L657 F661 G750	L657-L753 HydrophobicContact CB-CD1 3.78Å; L657-L753 HydrophobicContact CD1-CD1 4.47Å; F661-L753 HydrophobicContact CB-CD2 3.33Å; F661-L753 HydrophobicContact CD2-CD2 3.56Å; F661-L753 HydrophobicContact CE2-CD2 4.49Å; F661-L753 HydrophobicContact CG-CD2 3.58Å; G750-L753 WeakPolarHBondContact O-CB 3.37Å; G750-L753 VanDerWaalsContact O-CD1 3.31Å; G750-L753 WeakPolarHBondContact O-CD1 3.4Å; G750-L753 WeakPolarHBondContact O-CG 3.36Å; G750-L753 PolarHBondContact O-N 3.45Å
754	P	59.6	Low	75.6	Confident	9 Å²	9	51.9 Å²	51.9	6%	0.058	26%	0.256	C	S	.	.			trans	-50.1	152.6	-178.2	-4.5	-1.7	0	0	0	112.8	F661 N756 Y757 S831 Y835	F661-P754 HydrophobicContact CE1-CG 4.39Å; P754-N756 PolarHBondContact O-N 3.09Å; P754-Y757 HydrophobicContact CB-CD2 4.28Å; P754-Y757 HydrophobicContact CG-CD2 3.88Å; P754-Y757 HydrophobicContact CG-CE2 4.42Å; P754-Y757 WeakPolarHBondContact O-CA 3.04Å; P754-Y757 WeakPolarHBondContact O-CB 3.48Å; P754-Y757 PolarHBondContact O-N 2.98Å; P754-S831 WeakPolarHBondContact CB-O 3.26Å; P754-Y835 HydrophobicContact CB-CG 4.28Å; P754-Y835 HydrophobicContact CG-CD1 4.16Å; P754-Y835 HydrophobicContact CG-CD2 4.18Å; P754-Y835 HydrophobicContact CG-CG 3.69Å
755	E	58.2	Low	75.4	Confident	151 Å²	151	55.8 Å²	55.8	71%	0.706	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-51.9	-31.8	-171.6	-73.4	-178.3	171.6	0	0	114.9	Y757 N758	E755-Y757 PolarHBondContact O-N 2.99Å; E755-N758 WeakPolarHBondContact O-CB 3.37Å; E755-N758 PolarHBondContact O-N 3.38Å
756	N	55.8	Low	75.5	Confident	40 Å²	40	53 Å²	53	21%	0.214	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-69.6	-13.5	174.6	-73.5	-14.9	0	0	0	114.5	P754 H827 F828 S831	P754-N756 PolarHBondContact O-N 3.09Å; N756-H827 PolarHBondContact ND2-CE1 2.78Å; N756-H827 PolarHBondContact ND2-ND1 3.13Å; N756-H827 PolarHBondContact OD1-CE1 3.35Å; N756-F828 HydrophobicContact CB-CE1 4.38Å; N756-S831 PolarHBondContact ND2-OG 3.49Å
757	Y	57.2	Low	75.7	Confident	32 Å²	32	52.5 Å²	52.5	13%	0.125	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-107.6	15.7	177.1	-66.9	-85.6	0	0	0	112.8	L657 F661 P754 E755 E759 A760 I832	L657-Y757 HydrophobicContact CD1-CD1 4.14Å; L657-Y757 HydrophobicContact CD2-CD1 3.56Å; L657-Y757 HydrophobicContact CD2-CE1 3.51Å; F661-Y757 HydrophobicContact CE2-CE2 4.32Å; F661-Y757 HydrophobicContact CZ-CD2 4.5Å; F661-Y757 HydrophobicContact CZ-CE2 4.04Å; P754-Y757 HydrophobicContact CB-CD2 4.28Å; P754-Y757 HydrophobicContact CG-CD2 3.88Å; P754-Y757 HydrophobicContact CG-CE2 4.42Å; P754-Y757 WeakPolarHBondContact O-CA 3.04Å; P754-Y757 WeakPolarHBondContact O-CB 3.48Å; P754-Y757 PolarHBondContact O-N 2.98Å; E755-Y757 PolarHBondContact O-N 2.99Å; Y757-E759 PolarHBondContact O-N 3.11Å; Y757-A760 PolarHBondContact O-N 3.32Å; Y757-I832 HydrophobicContact CE2-CD1 4.5Å; Y757-I832 HydrophobicContact CE2-CG1 4.22Å
758	N	58	Low	75.9	Confident	68 Å²	68	56.8 Å²	56.8	36%	0.364	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	0.4	176.5	-154.3	23.8	0	0	0	113.4	E755 A760 K761	E755-N758 WeakPolarHBondContact O-CB 3.37Å; E755-N758 PolarHBondContact O-N 3.38Å; N758-A760 PolarHBondContact O-N 2.85Å; N758-A760 VanDerWaalsContact O-N 3.14Å; N758-K761 PolarHBondContact O-N 2.03Å; N758-K761 VanDerWaalsContact O-N 3.08Å; N758-K761 WeakPolarHBondContact OD1-CD 3.13Å; N758-K761 WeakPolarHBondContact OD1-CE 3.32Å; N758-K761 PolarHBondContact OD1-NZ 2.74Å
759	E	69.4	Low	76.2	Confident	27 Å²	27	53.9 Å²	53.9	13%	0.126	27%	0.268	C	S	.	.	H	α-helix	trans	-45.2	-37.6	166.7	-62	-178.6	-165.7	0	0	112.3	Y757 K761 C762 V763 Y808 K812	Y757-E759 PolarHBondContact O-N 3.11Å; E759-K761 PolarHBondContact O-N 3.12Å; E759-C762 PolarHBondContact O-N 3.32Å; E759-C762 VanDerWaalsContact O-N 3.14Å; E759-V763 WeakPolarHBondContact O-CG2 3.38Å; E759-V763 PolarHBondContact O-N 2.95Å; E759-Y808 WeakPolarHBondContact OE2-CE2 3.4Å; E759-K812 WeakPolarHBondContact OE1-CE 3.28Å; E759-K812 IonicContact OE1-NZ 3.34Å; E759-K812 PolarHBondContact OE1-NZ 3.37Å; E759-K812 VanDerWaalsContact OE1-NZ 3.16Å; E759-K812 WeakPolarHBondContact OE2-CE 3.38Å; E759-K812 IonicContact OE2-NZ 2.67Å; E759-K812 PolarHBondContact OE2-NZ 3.27Å
760	A	79	Confident	76.7	Confident	11 Å²	11	50.4 Å²	50.4	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-53.9	-37.2	179.6	0	0	0	0	0	113	S747 Y757 N758 T764	S747-A760 WeakPolarHBondContact O-CB 3.03Å; S747-A760 WeakPolarHBondContact OG-CA 3.29Å; S747-A760 PolarHBondContact OG-O 3.3Å; Y757-A760 PolarHBondContact O-N 3.32Å; N758-A760 PolarHBondContact O-N 2.85Å; N758-A760 VanDerWaalsContact O-N 3.14Å; A760-T764 VanDerWaalsContact O-CB 3.31Å; A760-T764 WeakPolarHBondContact O-CB 3.18Å; A760-T764 PolarHBondContact O-N 3.21Å; A760-T764 PolarHBondContact O-OG1 2.92Å
761	K	82.8	Confident	77.6	Confident	105 Å²	105	52.2 Å²	52.2	46%	0.457	26%	0.256	S	S	.	.	H	α-helix	trans	-71	-44.9	178.6	-66.8	-175.9	-169.1	144.2	0	111.7	K751 N758 E759 T764 F765	K751-K761 HydrophobicContact CG-CG 4.14Å; N758-K761 PolarHBondContact O-N 2.03Å; N758-K761 VanDerWaalsContact O-N 3.08Å; N758-K761 WeakPolarHBondContact OD1-CD 3.13Å; N758-K761 WeakPolarHBondContact OD1-CE 3.32Å; N758-K761 PolarHBondContact OD1-NZ 2.74Å; E759-K761 PolarHBondContact O-N 3.12Å; K761-T764 PolarHBondContact O-N 3.34Å; K761-F765 WeakPolarHBondContact O-CB 3.39Å; K761-F765 PolarHBondContact O-N 3.27Å
762	C	85.7	Confident	78.7	Confident	54 Å²	54	53 Å²	53	37%	0.365	27%	0.267	S	S	.	.	H	α-helix	trans	-64.2	-41.7	178	-65.5	0	0	0	0	111.5	E759 F765 S766 G807	E759-C762 PolarHBondContact O-N 3.32Å; E759-C762 VanDerWaalsContact O-N 3.14Å; C762-F765 PolarHBondContact O-N 2.77Å; C762-S766 WeakPolarHBondContact O-CB 3.21Å; C762-S766 PolarHBondContact O-N 3.06Å; C762-S766 PolarHBondContact O-OG 2.8Å; C762-G807 WeakPolarHBondContact CB-O 3.29Å
763	V	88.2	Confident	79.9	Confident	7 Å²	7	47.3 Å²	47.3	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-47.1	174.2	173.1	0	0	0	0	111	L650 T743 E759 F765 S766 L767 Y808	L650-V763 HydrophobicContact CD1-CG1 4.38Å; T743-V763 HydrophobicContact CG2-CG1 4.35Å; E759-V763 WeakPolarHBondContact O-CG2 3.38Å; E759-V763 PolarHBondContact O-N 2.95Å; V763-F765 VanDerWaalsContact C-N 3.34Å; V763-F765 PolarHBondContact O-N 2.99Å; V763-S766 PolarHBondContact O-N 2.99Å; V763-L767 HydrophobicContact CG1-CD1 3.99Å; V763-L767 HydrophobicContact CG1-CG 4.49Å; V763-L767 WeakPolarHBondContact O-CG 3.23Å; V763-L767 PolarHBondContact O-N 2.81Å; V763-Y808 HydrophobicContact CG2-CD2 3.76Å
764	T	88.2	Confident	81.2	Confident	8 Å²	8	47 Å²	47	5%	0.049	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-43.3	176.6	-62.5	0	0	0	0	111.9	F744 S747 Y748 A760 K761 S766 L767 L768	F744-T764 HydrophobicContact CD2-CG2 3.91Å; F744-T764 HydrophobicContact CE2-CG2 3.41Å; F744-T764 VanDerWaalsContact CE2-CG2 3.41Å; F744-T764 HydrophobicContact CZ-CG2 3.87Å; S747-T764 PolarHBondContact OG-OG1 2.87Å; S747-T764 VanDerWaalsContact OG-OG1 3.12Å; Y748-T764 HydrophobicContact CD2-CG2 4.43Å; A760-T764 VanDerWaalsContact O-CB 3.31Å; A760-T764 WeakPolarHBondContact O-CB 3.18Å; A760-T764 PolarHBondContact O-N 3.21Å; A760-T764 PolarHBondContact O-OG1 2.92Å; K761-T764 PolarHBondContact O-N 3.34Å; T764-S766 VanDerWaalsContact C-N 3.34Å; T764-L767 PolarHBondContact O-N 2.8Å; T764-L768 PolarHBondContact O-N 2.83Å
765	F	88.3	Confident	82.8	Confident	140 Å²	140	51.9 Å²	51.9	61%	0.614	27%	0.265	S	S	*	.	H	α-helix	trans	-63.1	-41	176	-178.9	-100	0	0	0	111.9	K761 C762 V763 L767 L768 L769	K761-F765 WeakPolarHBondContact O-CB 3.39Å; K761-F765 PolarHBondContact O-N 3.27Å; C762-F765 PolarHBondContact O-N 2.77Å; V763-F765 VanDerWaalsContact C-N 3.34Å; V763-F765 PolarHBondContact O-N 2.99Å; F765-L767 VanDerWaalsContact C-N 3.34Å; F765-L767 PolarHBondContact O-N 3.18Å; F765-L768 WeakPolarHBondContact O-CB 3.07Å; F765-L768 PolarHBondContact O-N 3.33Å; F765-L769 PolarHBondContact O-N 2.83Å
766	S	91.6	Very high	84.5	Confident	13 Å²	13	47.1 Å²	47.1	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-36.9	178.5	-58.4	0	0	0	0	112.4	C762 V763 T764 L769 H770 G803 G807	C762-S766 WeakPolarHBondContact O-CB 3.21Å; C762-S766 PolarHBondContact O-N 3.06Å; C762-S766 PolarHBondContact O-OG 2.8Å; V763-S766 PolarHBondContact O-N 2.99Å; T764-S766 VanDerWaalsContact C-N 3.34Å; S766-L769 PolarHBondContact O-N 3.49Å; S766-H770 PolarHBondContact O-N 2.91Å; S766-G803 VanDerWaalsContact CB-O 3.23Å; S766-G803 WeakPolarHBondContact CB-O 3.48Å; S766-G803 PolarHBondContact OG-O 2.93Å; S766-G807 WeakPolarHBondContact OG-CA 3.32Å; S766-G807 PolarHBondContact OG-N 2.88Å
767	L	92.3	Very high	86.2	Confident	8 Å²	8	45.6 Å²	45.6	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-70	-34.4	173.7	-70.1	168.7	0	0	0	112.2	L647 T743 F744 V763 T764 F765 H770 F771	L647-L767 HydrophobicContact CD2-CD2 3.81Å; T743-L767 HydrophobicContact CG2-CD1 3.67Å; F744-L767 HydrophobicContact CB-CD1 3.98Å; F744-L767 HydrophobicContact CD2-CB 4.02Å; V763-L767 HydrophobicContact CG1-CD1 3.99Å; V763-L767 HydrophobicContact CG1-CG 4.49Å; V763-L767 WeakPolarHBondContact O-CG 3.23Å; V763-L767 PolarHBondContact O-N 2.81Å; T764-L767 PolarHBondContact O-N 2.8Å; F765-L767 VanDerWaalsContact C-N 3.34Å; F765-L767 PolarHBondContact O-N 3.18Å; L767-H770 WeakPolarHBondContact O-CB 3.25Å; L767-H770 PolarHBondContact O-N 3.37Å; L767-F771 HydrophobicContact CB-CE2 4.43Å; L767-F771 WeakPolarHBondContact O-CD2 3.21Å; L767-F771 WeakPolarHBondContact O-CG 3.5Å; L767-F771 PolarHBondContact O-N 2.89Å
768	L	91.5	Very high	87.8	Confident	92 Å²	92	46.5 Å²	46.5	48%	0.482	25%	0.247	S	C	.	.	H	α-helix	trans	-62.8	-45.5	172	-172.9	69.9	0	0	0	110.9	T764 F765 H770 F771 V772	T764-L768 PolarHBondContact O-N 2.83Å; F765-L768 WeakPolarHBondContact O-CB 3.07Å; F765-L768 PolarHBondContact O-N 3.33Å; L768-H770 VanDerWaalsContact C-N 3.29Å; L768-H770 PolarHBondContact O-N 3.48Å; L768-F771 PolarHBondContact O-N 3.11Å; L768-V772 WeakPolarHBondContact O-CG2 3.36Å; L768-V772 PolarHBondContact O-N 2.93Å
769	L	90	Very high	89.4	Confident	70 Å²	70	46.7 Å²	46.7	37%	0.366	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-39.9	175.1	-177.2	63.5	0	0	0	111.6	F765 S766 V772 S773	F765-L769 PolarHBondContact O-N 2.83Å; S766-L769 PolarHBondContact O-N 3.49Å; L769-V772 PolarHBondContact O-N 3.31Å; L769-S773 WeakPolarHBondContact O-CB 3.42Å; L769-S773 PolarHBondContact O-N 3.4Å; L769-S773 PolarHBondContact O-OG 3.23Å
770	H	93.1	Very high	90.4	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.019	26%	0.264	C	S	.	.	H	α-helix	trans	-58	-51.8	173	167.4	72.6	0	0	0	111.8	F643 S740 S766 L767 L768 V772 S773 W774 T800	F643-H770 AromaticContact CE1-CE1 3.31Å; F643-H770 WeakPolarHBondContact CE1-CE1 3.49Å; F643-H770 AromaticContact CE1-ND1 3.71Å; F643-H770 AromaticContact CE1-NE2 3.74Å; F643-H770 AromaticContact CZ-CE1 3.89Å; F643-H770 AromaticContact CZ-ND1 3.8Å; S740-H770 PolarHBondContact OG-NE2 3.46Å; S766-H770 PolarHBondContact O-N 2.91Å; L767-H770 WeakPolarHBondContact O-CB 3.25Å; L767-H770 PolarHBondContact O-N 3.37Å; L768-H770 VanDerWaalsContact C-N 3.29Å; L768-H770 PolarHBondContact O-N 3.48Å; H770-V772 PolarHBondContact O-N 2.86Å; H770-S773 PolarHBondContact O-N 2.8Å; H770-W774 AromaticContact CE1-CD1 3.06Å; H770-W774 AromaticContact CE1-NE1 3.09Å; H770-W774 PolarHBondContact CE1-NE1 3.13Å; H770-W774 AromaticContact ND1-CD1 3.2Å; H770-W774 AromaticContact ND1-NE1 3.2Å; H770-W774 PolarHBondContact ND1-NE1 3.3Å; H770-W774 AromaticContact NE2-CD1 3.81Å; H770-W774 VanDerWaalsContact O-CD1 3.26Å; H770-W774 PolarHBondContact O-N 2.93Å; H770-W774 VanDerWaalsContact O-N 3.1Å; H770-T800 WeakPolarHBondContact ND1-CG2 3.47Å; H770-T800 PolarHBondContact ND1-OG1 3.47Å
771	F	94.8	Very high	90.7	Very high	41 Å²	41	49.7 Å²	49.7	18%	0.18	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-45.9	178.5	-66	-52	0	0	0	112.2	I737 I741 F744 L767 L768 S773 W774 I775	I737-F771 HydrophobicContact CD1-CD1 4.29Å; I737-F771 HydrophobicContact CD1-CE1 4.3Å; I741-F771 HydrophobicContact CG1-CE1 4.2Å; I741-F771 HydrophobicContact CG1-CZ 3.93Å; F744-F771 HydrophobicContact CB-CE2 4.3Å; F744-F771 HydrophobicContact CD2-CE2 4.08Å; F744-F771 HydrophobicContact CG-CE2 4.31Å; L767-F771 HydrophobicContact CB-CE2 4.43Å; L767-F771 WeakPolarHBondContact O-CD2 3.21Å; L767-F771 WeakPolarHBondContact O-CG 3.5Å; L767-F771 PolarHBondContact O-N 2.89Å; L768-F771 PolarHBondContact O-N 3.11Å; F771-S773 VanDerWaalsContact C-N 3.32Å; F771-S773 PolarHBondContact O-N 3.12Å; F771-W774 PolarHBondContact O-N 2.85Å; F771-I775 WeakPolarHBondContact O-CB 3.3Å; F771-I775 WeakPolarHBondContact O-CD1 3.37Å; F771-I775 VanDerWaalsContact O-CG1 3.22Å; F771-I775 WeakPolarHBondContact O-CG1 3.11Å; F771-I775 PolarHBondContact O-N 3.07Å
772	V	94.3	Very high	90.8	Very high	85 Å²	85	49.2 Å²	49.2	52%	0.515	28%	0.276	S	S	.	.	H	α-helix	trans	-60.6	-42.8	178	172.9	0	0	0	0	111.3	L768 L769 H770 W774 I775 A776	L768-V772 WeakPolarHBondContact O-CG2 3.36Å; L768-V772 PolarHBondContact O-N 2.93Å; L769-V772 PolarHBondContact O-N 3.31Å; H770-V772 PolarHBondContact O-N 2.86Å; V772-W774 PolarHBondContact O-N 2.67Å; V772-I775 PolarHBondContact O-N 3.5Å; V772-A776 WeakPolarHBondContact O-CB 3.26Å; V772-A776 PolarHBondContact O-N 3.4Å
773	S	93.5	Very high	90.9	Very high	17 Å²	17	53 Å²	53	12%	0.119	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-43.3	-178.8	-58.7	0	0	0	0	112.2	L769 H770 F771 F777 A799	L769-S773 WeakPolarHBondContact O-CB 3.42Å; L769-S773 PolarHBondContact O-N 3.4Å; L769-S773 PolarHBondContact O-OG 3.23Å; H770-S773 PolarHBondContact O-N 2.8Å; F771-S773 VanDerWaalsContact C-N 3.32Å; F771-S773 PolarHBondContact O-N 3.12Å; S773-F777 PolarHBondContact O-N 3.1Å; S773-A799 WeakPolarHBondContact OG-CB 3.32Å
774	W	94.4	Very high	90.6	Very high	6 Å²	6	56.5 Å²	56.5	2%	0.023	30%	0.304	C	S	.	.	H	α-helix	trans	-75.2	-36.6	178.7	-73.5	101.5	0	0	0	113.1	F639 F733 H770 F771 V772 A776 F777 F778 N793 T800	F639-W774 HydrophobicContact CD1-CZ2 4.45Å; F639-W774 HydrophobicContact CE1-CH2 4.26Å; F639-W774 AromaticContact CE1-CZ2 3.59Å; F639-W774 HydrophobicContact CE1-CZ2 3.59Å; F639-W774 AromaticContact CZ-CZ2 3.97Å; F639-W774 HydrophobicContact CZ-CZ2 3.97Å; F733-W774 HydrophobicContact CE2-CB 4.49Å; F733-W774 AromaticContact CE2-CD2 3.63Å; F733-W774 HydrophobicContact CE2-CD2 3.63Å; F733-W774 AromaticContact CE2-CE3 3.64Å; F733-W774 HydrophobicContact CE2-CE3 3.64Å; F733-W774 AromaticContact CE2-CG 4Å; F733-W774 HydrophobicContact CE2-CG 4Å; F733-W774 HydrophobicContact CE2-CZ3 4.2Å; F733-W774 HydrophobicContact CZ-CB 3.86Å; F733-W774 AromaticContact CZ-CD2 3.93Å; F733-W774 HydrophobicContact CZ-CD2 3.93Å; F733-W774 HydrophobicContact CZ-CE3 4.07Å; F733-W774 AromaticContact CZ-CG 3.82Å; F733-W774 HydrophobicContact CZ-CG 3.82Å; H770-W774 AromaticContact CE1-CD1 3.06Å; H770-W774 AromaticContact CE1-NE1 3.09Å; H770-W774 PolarHBondContact CE1-NE1 3.13Å; H770-W774 AromaticContact ND1-CD1 3.2Å; H770-W774 AromaticContact ND1-NE1 3.2Å; H770-W774 PolarHBondContact ND1-NE1 3.3Å; H770-W774 AromaticContact NE2-CD1 3.81Å; H770-W774 VanDerWaalsContact O-CD1 3.26Å; H770-W774 PolarHBondContact O-N 2.93Å; H770-W774 VanDerWaalsContact O-N 3.1Å; F771-W774 PolarHBondContact O-N 2.85Å; V772-W774 PolarHBondContact O-N 2.67Å; W774-A776 VanDerWaalsContact C-N 3.29Å; W774-A776 PolarHBondContact O-N 2.93Å; W774-F777 HydrophobicContact CE3-CB 4.39Å; W774-F777 AromaticContact CE3-CD1 3.81Å; W774-F777 HydrophobicContact CE3-CD1 3.81Å; W774-F777 HydrophobicContact CE3-CG 4.34Å; W774-F777 AromaticContact CZ3-CD1 3.86Å; W774-F777 HydrophobicContact CZ3-CD1 3.86Å; W774-F777 HydrophobicContact CZ3-CE1 4.24Å; W774-F777 HydrophobicContact CZ3-CG 4.39Å; W774-F777 PolarHBondContact O-N 2.66Å; W774-F778 HydrophobicContact CE3-CE2 4.26Å; W774-F778 WeakPolarHBondContact O-CD2 3.43Å; W774-F778 PolarHBondContact O-N 3.44Å; W774-N793 WeakPolarHBondContact CH2-OD1 3.33Å; W774-T800 PolarHBondContact NE1-OG1 3.34Å
775	I	93.3	Very high	89.9	Confident	111 Å²	111	61.5 Å²	61.5	57%	0.569	33%	0.327	S	S	*	.	H	α-helix	trans	-57.3	-48	171.3	-69.9	166	0	0	0	109.5	F771 V772 F777 F778 T779	F771-I775 WeakPolarHBondContact O-CB 3.3Å; F771-I775 WeakPolarHBondContact O-CD1 3.37Å; F771-I775 VanDerWaalsContact O-CG1 3.22Å; F771-I775 WeakPolarHBondContact O-CG1 3.11Å; F771-I775 PolarHBondContact O-N 3.07Å; V772-I775 PolarHBondContact O-N 3.5Å; I775-F777 VanDerWaalsContact C-N 3.35Å; I775-F777 PolarHBondContact O-N 3.33Å; I775-F778 PolarHBondContact O-N 3.17Å; I775-T779 WeakPolarHBondContact O-CB 3.44Å; I775-T779 PolarHBondContact O-N 3.35Å; I775-T779 PolarHBondContact O-OG1 3.18Å
776	A	92.2	Very high	89.4	Confident	51 Å²	51	55.4 Å²	55.4	42%	0.421	30%	0.304	S	S	.	.	H	α-helix	trans	-59.1	-43.1	177.4	0	0	0	0	0	112.4	V772 W774 M780	V772-A776 WeakPolarHBondContact O-CB 3.26Å; V772-A776 PolarHBondContact O-N 3.4Å; W774-A776 VanDerWaalsContact C-N 3.29Å; W774-A776 PolarHBondContact O-N 2.93Å; A776-M780 WeakPolarHBondContact O-CB 3.13Å; A776-M780 VanDerWaalsContact O-CG 3.3Å; A776-M780 WeakPolarHBondContact O-CG 3.46Å; A776-M780 PolarHBondContact O-N 3.4Å
777	F	92.4	Very high	88.7	Confident	7 Å²	7	55.6 Å²	55.6	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-60.3	-49.9	175.3	169.7	-104.6	0	0	0	112.5	S773 W774 I775 T779 M780 S781 L789 V792 N793 A796	S773-F777 PolarHBondContact O-N 3.1Å; W774-F777 HydrophobicContact CE3-CB 4.39Å; W774-F777 AromaticContact CE3-CD1 3.81Å; W774-F777 HydrophobicContact CE3-CD1 3.81Å; W774-F777 HydrophobicContact CE3-CG 4.34Å; W774-F777 AromaticContact CZ3-CD1 3.86Å; W774-F777 HydrophobicContact CZ3-CD1 3.86Å; W774-F777 HydrophobicContact CZ3-CE1 4.24Å; W774-F777 HydrophobicContact CZ3-CG 4.39Å; W774-F777 PolarHBondContact O-N 2.66Å; I775-F777 VanDerWaalsContact C-N 3.35Å; I775-F777 PolarHBondContact O-N 3.33Å; F777-T779 PolarHBondContact O-N 3.12Å; F777-M780 PolarHBondContact O-N 3.3Å; F777-S781 WeakPolarHBondContact O-CB 3.18Å; F777-S781 PolarHBondContact O-N 3.27Å; F777-L789 HydrophobicContact CE2-CD1 4.06Å; F777-L789 HydrophobicContact CE2-CG 4.48Å; F777-V792 HydrophobicContact CD2-CB 4.41Å; F777-V792 HydrophobicContact CD2-CG1 4.09Å; F777-N793 HydrophobicContact CD2-CB 4Å; F777-N793 HydrophobicContact CE2-CB 3.49Å; F777-N793 VanDerWaalsContact CE2-CB 3.49Å; F777-N793 HydrophobicContact CZ-CB 4.01Å; F777-A796 HydrophobicContact CB-CB 4.01Å
778	F	90.9	Very high	88.4	Confident	51 Å²	51	60.2 Å²	60.2	22%	0.224	32%	0.323	C	S	.	.	H	α-helix	trans	-65	-39.8	-179.4	-79.5	-69.5	0	0	0	112.3	F729 F733 W774 I775 S781 S782	F729-F778 AromaticContact CE1-CE1 3.96Å; F729-F778 HydrophobicContact CE1-CE1 3.96Å; F729-F778 AromaticContact CE1-CZ 3.92Å; F729-F778 HydrophobicContact CE1-CZ 3.92Å; F729-F778 HydrophobicContact CZ-CE1 4.32Å; F729-F778 AromaticContact CZ-CZ 3.92Å; F729-F778 HydrophobicContact CZ-CZ 3.92Å; F733-F778 AromaticContact CD1-CE2 3.93Å; F733-F778 HydrophobicContact CD1-CE2 3.93Å; F733-F778 AromaticContact CD1-CZ 3.98Å; F733-F778 HydrophobicContact CD1-CZ 3.98Å; F733-F778 HydrophobicContact CD2-CE2 4.41Å; F733-F778 HydrophobicContact CD2-CZ 4.37Å; F733-F778 HydrophobicContact CE1-CD2 4.37Å; F733-F778 AromaticContact CE1-CE2 3.4Å; F733-F778 HydrophobicContact CE1-CE2 3.4Å; F733-F778 AromaticContact CE1-CZ 3.94Å; F733-F778 HydrophobicContact CE1-CZ 3.94Å; F733-F778 AromaticContact CE2-CE2 3.94Å; F733-F778 HydrophobicContact CE2-CE2 3.94Å; F733-F778 HydrophobicContact CE2-CZ 4.34Å; F733-F778 HydrophobicContact CG-CE2 4.43Å; F733-F778 HydrophobicContact CG-CZ 4.23Å; F733-F778 HydrophobicContact CZ-CD2 4.43Å; F733-F778 AromaticContact CZ-CE2 3.44Å; F733-F778 HydrophobicContact CZ-CE2 3.44Å; F733-F778 VanDerWaalsContact CZ-CE2 3.44Å; F733-F778 HydrophobicContact CZ-CZ 4.16Å; W774-F778 HydrophobicContact CE3-CE2 4.26Å; W774-F778 WeakPolarHBondContact O-CD2 3.43Å; W774-F778 PolarHBondContact O-N 3.44Å; I775-F778 PolarHBondContact O-N 3.17Å; F778-S781 WeakPolarHBondContact CA-OG 3.31Å; F778-S781 PolarHBondContact O-N 2.69Å; F778-S781 PolarHBondContact O-OG 2.81Å; F778-S782 PolarHBondContact O-N 3.18Å; F778-S782 VanDerWaalsContact O-N 3.13Å; F778-S782 PolarHBondContact O-OG 3.42Å; F778-S782 VanDerWaalsContact O-OG 3.04Å
779	T	92.3	Very high	88.2	Confident	73 Å²	73	57.7 Å²	57.7	45%	0.448	31%	0.31	S	S	.	.	H	α-helix	trans	-60.2	-46.6	173.2	-56.8	0	0	0	0	111.1	I775 F777 S781 S782 I783	I775-T779 WeakPolarHBondContact O-CB 3.44Å; I775-T779 PolarHBondContact O-N 3.35Å; I775-T779 PolarHBondContact O-OG1 3.18Å; F777-T779 PolarHBondContact O-N 3.12Å; T779-S781 PolarHBondContact O-N 3.49Å; T779-S782 PolarHBondContact O-N 3.26Å; T779-I783 HydrophobicContact CG2-CD1 4.11Å; T779-I783 PolarHBondContact O-N 3.38Å
780	M	88.7	Confident	88.2	Confident	81 Å²	81	56.2 Å²	56.2	40%	0.399	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-41	176.3	-75.2	-59.8	-63.5	0	0	112.2	A776 F777 S782 I783 Y784 V792	A776-M780 WeakPolarHBondContact O-CB 3.13Å; A776-M780 VanDerWaalsContact O-CG 3.3Å; A776-M780 WeakPolarHBondContact O-CG 3.46Å; A776-M780 PolarHBondContact O-N 3.4Å; F777-M780 PolarHBondContact O-N 3.3Å; M780-S782 PolarHBondContact O-N 3.01Å; M780-I783 PolarHBondContact O-N 2.87Å; M780-Y784 WeakPolarHBondContact O-CA 3.46Å; M780-Y784 WeakPolarHBondContact O-CB 3.44Å; M780-Y784 PolarHBondContact O-N 3.31Å; M780-V792 HydrophobicContact CB-CG1 4.24Å; M780-V792 HydrophobicContact CG-CG1 4.4Å
781	S	86	Confident	88.1	Confident	20 Å²	20	56.2 Å²	56.2	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-64.6	-24.8	178.7	74.8	0	0	0	0	114	F777 F778 T779	F777-S781 WeakPolarHBondContact O-CB 3.18Å; F777-S781 PolarHBondContact O-N 3.27Å; F778-S781 WeakPolarHBondContact CA-OG 3.31Å; F778-S781 PolarHBondContact O-N 2.69Å; F778-S781 PolarHBondContact O-OG 2.81Å; T779-S781 PolarHBondContact O-N 3.49Å
782	S	85.8	Confident	88	Confident	95 Å²	95	56 Å²	56	66%	0.664	31%	0.307	S	S	*	.	H	α-helix	trans	-82.2	-25.3	178.6	-61	0	0	0	0	112.7	F778 T779 M780	F778-S782 PolarHBondContact O-N 3.18Å; F778-S782 VanDerWaalsContact O-N 3.13Å; F778-S782 PolarHBondContact O-OG 3.42Å; F778-S782 VanDerWaalsContact O-OG 3.04Å; T779-S782 PolarHBondContact O-N 3.26Å; M780-S782 PolarHBondContact O-N 3.01Å
783	I	86.3	Confident	87.9	Confident	134 Å²	134	52.4 Å²	52.4	69%	0.687	29%	0.285	S	S	*	.	H	α-helix	trans	-103.2	-40.2	-175.6	-59.8	170.5	0	0	0	111.2	T779 M780	T779-I783 HydrophobicContact CG2-CD1 4.11Å; T779-I783 PolarHBondContact O-N 3.38Å; M780-I783 PolarHBondContact O-N 2.87Å
784	Y	82.6	Confident	88	Confident	79 Å²	79	51.6 Å²	51.6	31%	0.31	28%	0.279	S	S	.	.			trans	-108.5	121.5	-173.5	-179.7	-99.2	0	0	0	111.2	M780 G786 Y788 L789	M780-Y784 WeakPolarHBondContact O-CA 3.46Å; M780-Y784 WeakPolarHBondContact O-CB 3.44Å; M780-Y784 PolarHBondContact O-N 3.31Å; Y784-G786 WeakPolarHBondContact CE1-O 3.12Å; Y784-G786 WeakPolarHBondContact OH-CA 3.44Å; Y784-Y788 WeakPolarHBondContact OH-CD2 3.27Å; Y784-Y788 PolarHBondContact OH-N 3.15Å; Y784-L789 HydrophobicContact CD1-CB 4.44Å
785	Q	74.2	Confident	88	Confident	114 Å²	114	56 Å²	56	53%	0.533	30%	0.303	S	S	.	.			trans	-114.1	15	-179.2	-55.5	-175.8	-6.6	0	0	113.6	R712	R712-Q785 WeakPolarHBondContact CD-O 3.09Å; R712-Q785 PolarHBondContact NH1-O 2.81Å
786	G	77.9	Confident	88.1	Confident	12 Å²	12	51 Å²	51	12%	0.124	28%	0.278	C	S	.	.	S	Bend	trans	-85.2	-179.1	-177.4	0	0	0	0	0	114.4	Y784 Y788 L789	Y784-G786 WeakPolarHBondContact CE1-O 3.12Å; Y784-G786 WeakPolarHBondContact OH-CA 3.44Å; G786-Y788 PolarHBondContact O-N 2.04Å; G786-Y788 VanDerWaalsContact O-N 3.16Å; G786-L789 PolarHBondContact O-N 3.47Å
787	S	77.2	Confident	88.3	Confident	17 Å²	17	48.6 Å²	48.6	12%	0.119	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18	-172.9	45	0	0	0	0	115.1	E559 P790	E559-S787 VanDerWaalsContact OE2-CB 3.23Å; E559-S787 WeakPolarHBondContact OE2-CB 3.39Å; E559-S787 PolarHBondContact OE2-OG 3.38Å; S787-P790 VanDerWaalsContact O-CD 3.28Å; S787-P790 WeakPolarHBondContact O-CD 3.21Å
788	Y	84.4	Confident	88.4	Confident	104 Å²	104	49.1 Å²	49.1	41%	0.408	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-0.6	179.7	-66.3	-72.7	0	0	0	115.1	L561 I567 Y784 G786 P790 A791 V792	L561-Y788 HydrophobicContact CD1-CD1 4.46Å; I567-Y788 HydrophobicContact CD1-CD1 4.44Å; I567-Y788 HydrophobicContact CG2-CD1 4.05Å; I567-Y788 HydrophobicContact CG2-CE1 3.81Å; Y784-Y788 WeakPolarHBondContact OH-CD2 3.27Å; Y784-Y788 PolarHBondContact OH-N 3.15Å; G786-Y788 PolarHBondContact O-N 2.04Å; G786-Y788 VanDerWaalsContact O-N 3.16Å; Y788-P790 VanDerWaalsContact C-CD 3.47Å; Y788-A791 WeakPolarHBondContact O-CB 3.05Å; Y788-A791 PolarHBondContact O-N 3.28Å; Y788-V792 PolarHBondContact O-N 2.64Å
789	L	87.6	Confident	88.7	Confident	39 Å²	39	47.8 Å²	47.8	20%	0.204	26%	0.259	C	S	.	.	H	α-helix	trans	-57.3	-39.7	178.5	-174.3	64.2	0	0	0	113.7	F777 Y784 G786 A791 V792 N793	F777-L789 HydrophobicContact CE2-CD1 4.06Å; F777-L789 HydrophobicContact CE2-CG 4.48Å; Y784-L789 HydrophobicContact CD1-CB 4.44Å; G786-L789 PolarHBondContact O-N 3.47Å; L789-A791 VanDerWaalsContact C-N 3.29Å; L789-A791 PolarHBondContact O-N 3.49Å; L789-V792 PolarHBondContact O-N 2.79Å; L789-N793 PolarHBondContact O-N 2.76Å; L789-N793 VanDerWaalsContact O-N 3.1Å
790	P	90.2	Very high	88.8	Confident	40 Å²	40	44.4 Å²	44.4	26%	0.26	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-34.9	172.3	-24.2	36.1	0	0	0	113.5	L561 F623 S787 Y788 N793 V794	L561-P790 HydrophobicContact CD2-CB 4.2Å; F623-P790 HydrophobicContact CD1-CB 4.23Å; S787-P790 VanDerWaalsContact O-CD 3.28Å; S787-P790 WeakPolarHBondContact O-CD 3.21Å; Y788-P790 VanDerWaalsContact C-CD 3.47Å; P790-N793 WeakPolarHBondContact O-CB 3.42Å; P790-N793 PolarHBondContact O-N 2.52Å; P790-V794 WeakPolarHBondContact O-CG2 2.93Å; P790-V794 PolarHBondContact O-N 3.08Å
791	A	92	Very high	89.2	Confident	3 Å²	3	40.5 Å²	40.5	3%	0.025	22%	0.219	C	C	.	.	H	α-helix	trans	-66.6	-38.9	177.6	0	0	0	0	0	111.4	L561 I567 L571 Y788 L789 N793 V794 L795	L561-A791 HydrophobicContact CD1-CB 3.97Å; L561-A791 HydrophobicContact CD2-CB 3.96Å; I567-A791 HydrophobicContact CD1-CB 4.15Å; L571-A791 HydrophobicContact CD1-CB 3.9Å; Y788-A791 WeakPolarHBondContact O-CB 3.05Å; Y788-A791 PolarHBondContact O-N 3.28Å; L789-A791 VanDerWaalsContact C-N 3.29Å; L789-A791 PolarHBondContact O-N 3.49Å; A791-N793 VanDerWaalsContact C-N 3.34Å; A791-V794 PolarHBondContact O-N 3.4Å; A791-L795 WeakPolarHBondContact O-CB 3.39Å; A791-L795 PolarHBondContact O-N 2.75Å
792	V	92.1	Very high	89.6	Confident	37 Å²	37	41.7 Å²	41.7	22%	0.224	23%	0.227	C	C	.	.	H	α-helix	trans	-64.8	-38.5	174.1	-174	0	0	0	0	111.1	F777 M780 Y788 L789 L795 A796	F777-V792 HydrophobicContact CD2-CB 4.41Å; F777-V792 HydrophobicContact CD2-CG1 4.09Å; M780-V792 HydrophobicContact CB-CG1 4.24Å; M780-V792 HydrophobicContact CG-CG1 4.4Å; Y788-V792 PolarHBondContact O-N 2.64Å; L789-V792 PolarHBondContact O-N 2.79Å; V792-L795 PolarHBondContact O-N 3.32Å; V792-A796 PolarHBondContact O-N 2.83Å
793	N	92.4	Very high	90	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.053	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-47.5	174.1	-167.1	-9	0	0	0	111.4	F623 Q636 W774 F777 L789 P790 A791 L795 A796 G797	F623-N793 HydrophobicContact CE1-CB 4.15Å; F623-N793 WeakPolarHBondContact CE1-ND2 3.45Å; Q636-N793 PolarHBondContact OE1-ND2 3.31Å; W774-N793 WeakPolarHBondContact CH2-OD1 3.33Å; F777-N793 HydrophobicContact CD2-CB 4Å; F777-N793 HydrophobicContact CE2-CB 3.49Å; F777-N793 VanDerWaalsContact CE2-CB 3.49Å; F777-N793 HydrophobicContact CZ-CB 4.01Å; L789-N793 PolarHBondContact O-N 2.76Å; L789-N793 VanDerWaalsContact O-N 3.1Å; P790-N793 WeakPolarHBondContact O-CB 3.42Å; P790-N793 PolarHBondContact O-N 2.52Å; A791-N793 VanDerWaalsContact C-N 3.34Å; N793-L795 VanDerWaalsContact C-N 3.28Å; N793-L795 PolarHBondContact O-N 3.32Å; N793-A796 PolarHBondContact O-N 2.89Å; N793-A796 VanDerWaalsContact O-N 3.16Å; N793-G797 PolarHBondContact O-N 2.98Å
794	V	94.9	Very high	90.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.7	-41.1	176	173.6	0	0	0	0	111.2	L571 L620 F623 F624 P790 A791 G797 L798	L571-V794 HydrophobicContact CB-CG1 4.2Å; L571-V794 HydrophobicContact CD1-CB 4.27Å; L571-V794 HydrophobicContact CD1-CG1 4.18Å; L571-V794 HydrophobicContact CD2-CG1 4.39Å; L620-V794 HydrophobicContact CB-CG1 4.49Å; F623-V794 HydrophobicContact CB-CG2 3.45Å; F623-V794 VanDerWaalsContact CB-CG2 3.45Å; F623-V794 HydrophobicContact CD1-CG2 4.02Å; F623-V794 HydrophobicContact CD2-CG2 3.81Å; F623-V794 HydrophobicContact CG-CG2 3.48Å; F623-V794 VanDerWaalsContact CG-CG2 3.48Å; F624-V794 HydrophobicContact CE2-CG1 4.22Å; F624-V794 HydrophobicContact CE2-CG2 4.3Å; F624-V794 HydrophobicContact CZ-CG1 4.01Å; F624-V794 HydrophobicContact CZ-CG2 4.25Å; P790-V794 WeakPolarHBondContact O-CG2 2.93Å; P790-V794 PolarHBondContact O-N 3.08Å; A791-V794 PolarHBondContact O-N 3.4Å; V794-G797 PolarHBondContact O-N 2.91Å; V794-L798 VanDerWaalsContact O-CB 3.23Å; V794-L798 WeakPolarHBondContact O-CB 2.96Å; V794-L798 PolarHBondContact O-N 3.45Å
795	L	95.4	Very high	90.8	Very high	99 Å²	99	28 Å²	28	52%	0.518	16%	0.155	S	C	.	.	H	α-helix	trans	-61.7	-44.8	176.4	-176.7	64.3	0	0	0	112	L571 A791 V792 N793 L798 A799	L571-L795 HydrophobicContact CD2-CB 4.28Å; L571-L795 HydrophobicContact CD2-CD1 4.13Å; A791-L795 WeakPolarHBondContact O-CB 3.39Å; A791-L795 PolarHBondContact O-N 2.75Å; V792-L795 PolarHBondContact O-N 3.32Å; N793-L795 VanDerWaalsContact C-N 3.28Å; N793-L795 PolarHBondContact O-N 3.32Å; L795-L798 PolarHBondContact O-N 3Å; L795-A799 WeakPolarHBondContact O-CB 2.96Å; L795-A799 PolarHBondContact O-N 3.48Å
796	A	95.3	Very high	91.6	Very high	5 Å²	5	24.8 Å²	24.8	4%	0.041	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-40.1	176.9	0	0	0	0	0	112.4	F777 V792 N793 T800	F777-A796 HydrophobicContact CB-CB 4.01Å; V792-A796 PolarHBondContact O-N 2.83Å; N793-A796 PolarHBondContact O-N 2.89Å; N793-A796 VanDerWaalsContact O-N 3.16Å; A796-T800 WeakPolarHBondContact O-CB 3Å; A796-T800 PolarHBondContact O-N 2.9Å; A796-T800 PolarHBondContact O-OG1 2.99Å
797	G	95	Very high	92.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-44.7	173.9	0	0	0	0	0	112.4	N793 V794 T800 L801	N793-G797 PolarHBondContact O-N 2.98Å; V794-G797 PolarHBondContact O-N 2.91Å; G797-T800 WeakPolarHBondContact O-CB 3.23Å; G797-T800 PolarHBondContact O-N 3.11Å; G797-L801 WeakPolarHBondContact O-CG 3.47Å; G797-L801 PolarHBondContact O-N 2.96Å
798	L	96.1	Very high	92.7	Very high	18 Å²	18	24 Å²	24	9%	0.094	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-44.3	177.5	-175.8	68.1	0	0	0	111.7	A574 N575 L578 L620 V794 L795 T800 L801 S802	A574-L798 HydrophobicContact CB-CD2 3.58Å; N575-L798 HydrophobicContact CB-CD1 4.13Å; L578-L798 HydrophobicContact CB-CD1 4.3Å; L578-L798 HydrophobicContact CD2-CD1 3.76Å; L620-L798 HydrophobicContact CD1-CB 4.23Å; V794-L798 VanDerWaalsContact O-CB 3.23Å; V794-L798 WeakPolarHBondContact O-CB 2.96Å; V794-L798 PolarHBondContact O-N 3.45Å; L795-L798 PolarHBondContact O-N 3Å; L798-T800 VanDerWaalsContact C-N 3.28Å; L798-T800 PolarHBondContact O-N 3.36Å; L798-L801 PolarHBondContact O-N 3.05Å; L798-S802 WeakPolarHBondContact O-CB 3.42Å; L798-S802 PolarHBondContact O-N 3.47Å; L798-S802 PolarHBondContact O-OG 3.13Å
799	A	95.8	Very high	93	Very high	23 Å²	23	19 Å²	19	19%	0.19	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-39.4	174.3	0	0	0	0	0	111.6	S773 L795 S802 G803	S773-A799 WeakPolarHBondContact OG-CB 3.32Å; L795-A799 WeakPolarHBondContact O-CB 2.96Å; L795-A799 PolarHBondContact O-N 3.48Å; A799-S802 WeakPolarHBondContact CA-OG 3.31Å; A799-S802 PolarHBondContact O-OG 3.18Å; A799-G803 WeakPolarHBondContact O-CA 3.39Å; A799-G803 PolarHBondContact O-N 3.31Å
800	T	95.7	Very high	93.1	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-64.9	-49.9	175.9	-66.9	0	0	0	0	112.4	F639 F643 H770 W774 A796 G797 L798 G803 G804	F639-T800 HydrophobicContact CZ-CG2 4.16Å; F643-T800 HydrophobicContact CD1-CG2 4.15Å; F643-T800 HydrophobicContact CD2-CG2 3.77Å; F643-T800 HydrophobicContact CE1-CG2 3.67Å; F643-T800 HydrophobicContact CE2-CG2 3.28Å; F643-T800 HydrophobicContact CG-CG2 4.19Å; F643-T800 HydrophobicContact CZ-CG2 3.23Å; H770-T800 WeakPolarHBondContact ND1-CG2 3.47Å; H770-T800 PolarHBondContact ND1-OG1 3.47Å; W774-T800 PolarHBondContact NE1-OG1 3.34Å; A796-T800 WeakPolarHBondContact O-CB 3Å; A796-T800 PolarHBondContact O-N 2.9Å; A796-T800 PolarHBondContact O-OG1 2.99Å; G797-T800 WeakPolarHBondContact O-CB 3.23Å; G797-T800 PolarHBondContact O-N 3.11Å; L798-T800 VanDerWaalsContact C-N 3.28Å; L798-T800 PolarHBondContact O-N 3.36Å; T800-G803 PolarHBondContact O-N 2.72Å; T800-G804 PolarHBondContact O-N 2.91Å
801	L	96.2	Very high	92.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-70.9	-40.9	-177.9	-64.6	174.8	0	0	0	112.1	L578 L613 L620 F639 F643 G797 L798 G804 F805	L578-L801 HydrophobicContact CD2-CB 3.6Å; L613-L801 HydrophobicContact CD2-CD2 3.6Å; L620-L801 HydrophobicContact CD1-CD1 4.01Å; F639-L801 HydrophobicContact CD2-CD1 4.22Å; F639-L801 HydrophobicContact CE2-CD1 3.72Å; F639-L801 HydrophobicContact CE2-CD2 4.04Å; F639-L801 HydrophobicContact CE2-CG 3.69Å; F639-L801 HydrophobicContact CZ-CD2 4.47Å; F639-L801 HydrophobicContact CZ-CG 4.29Å; F643-L801 HydrophobicContact CD2-CD2 4.3Å; G797-L801 WeakPolarHBondContact O-CG 3.47Å; G797-L801 PolarHBondContact O-N 2.96Å; L798-L801 PolarHBondContact O-N 3.05Å; L801-G804 PolarHBondContact O-N 2.52Å; L801-F805 WeakPolarHBondContact O-CB 3.4Å; L801-F805 PolarHBondContact O-N 2.75Å
802	S	95	Very high	92.7	Very high	44 Å²	44	21.9 Å²	21.9	31%	0.308	13%	0.132	S	C	.	.	H	α-helix	trans	-66	-38.7	174.8	60.8	0	0	0	0	111.7	L798 A799 F805 S806	L798-S802 WeakPolarHBondContact O-CB 3.42Å; L798-S802 PolarHBondContact O-N 3.47Å; L798-S802 PolarHBondContact O-OG 3.13Å; A799-S802 WeakPolarHBondContact CA-OG 3.31Å; A799-S802 PolarHBondContact O-OG 3.18Å; S802-F805 PolarHBondContact O-N 3.4Å; S802-S806 VanDerWaalsContact O-CB 3.25Å; S802-S806 WeakPolarHBondContact O-CB 3.36Å; S802-S806 PolarHBondContact O-N 3.42Å; S802-S806 PolarHBondContact O-OG 2.8Å
803	G	93.4	Very high	92.5	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-59	-52.2	169.1	0	0	0	0	0	111.3	S766 A799 T800 F805 S806 G807	S766-G803 VanDerWaalsContact CB-O 3.23Å; S766-G803 WeakPolarHBondContact CB-O 3.48Å; S766-G803 PolarHBondContact OG-O 2.93Å; A799-G803 WeakPolarHBondContact O-CA 3.39Å; A799-G803 PolarHBondContact O-N 3.31Å; T800-G803 PolarHBondContact O-N 2.72Å; G803-F805 VanDerWaalsContact C-N 3.33Å; G803-F805 PolarHBondContact O-N 3.35Å; G803-S806 PolarHBondContact O-N 3.11Å; G803-S806 PolarHBondContact O-OG 3.24Å; G803-G807 WeakPolarHBondContact O-CA 3.42Å; G803-G807 PolarHBondContact O-N 3.19Å
804	G	91.7	Very high	92.3	Very high	9 Å²	9	26 Å²	26	9%	0.093	15%	0.145	C	C	.	.	H	α-helix	trans	-56.8	-43.6	176.9	0	0	0	0	0	113.4	T800 L801 Y808	T800-G804 PolarHBondContact O-N 2.91Å; L801-G804 PolarHBondContact O-N 2.52Å; G804-Y808 PolarHBondContact O-N 2.84Å
805	F	94.2	Very high	91.8	Very high	10 Å²	10	27.6 Å²	27.6	4%	0.044	16%	0.155	C	C	.	.	H	α-helix	trans	-64.5	-53.8	176.4	172.4	-106.5	0	0	0	112.7	L578 L581 L582 T585 L801 S802 G803 G807 Y808 F809 L810	L578-F805 HydrophobicContact CD1-CB 4.12Å; L578-F805 HydrophobicContact CD1-CD1 4.24Å; L578-F805 HydrophobicContact CD1-CG 4.25Å; L581-F805 HydrophobicContact CB-CE1 4.03Å; L581-F805 HydrophobicContact CB-CZ 3.9Å; L581-F805 HydrophobicContact CD1-CE1 4.19Å; L582-F805 HydrophobicContact CD2-CB 4.18Å; L582-F805 HydrophobicContact CD2-CD2 3.56Å; L582-F805 HydrophobicContact CD2-CE2 4.29Å; L582-F805 HydrophobicContact CD2-CG 4.14Å; L582-F805 HydrophobicContact CG-CD2 4.44Å; T585-F805 HydrophobicContact CG2-CE2 3.52Å; T585-F805 HydrophobicContact CG2-CZ 3.65Å; L801-F805 WeakPolarHBondContact O-CB 3.4Å; L801-F805 PolarHBondContact O-N 2.75Å; S802-F805 PolarHBondContact O-N 3.4Å; G803-F805 VanDerWaalsContact C-N 3.33Å; G803-F805 PolarHBondContact O-N 3.35Å; F805-G807 VanDerWaalsContact C-N 3.34Å; F805-G807 PolarHBondContact O-N 3Å; F805-Y808 PolarHBondContact O-N 3.44Å; F805-F809 HydrophobicContact CD2-CB 3.91Å; F805-F809 HydrophobicContact CD2-CD2 4.31Å; F805-F809 HydrophobicContact CD2-CG 4.49Å; F805-F809 HydrophobicContact CE2-CB 3.94Å; F805-F809 WeakPolarHBondContact O-CB 3.33Å; F805-F809 PolarHBondContact O-N 3.38Å; F805-L810 HydrophobicContact CE1-CD1 4.43Å; F805-L810 PolarHBondContact O-N 3.08Å
806	S	90.4	Very high	91.4	Very high	48 Å²	48	23.4 Å²	23.4	34%	0.336	13%	0.133	S	C	.	.	H	α-helix	trans	-67.9	-33.8	-177.1	61.2	0	0	0	0	112.6	S802 G803 P811	S802-S806 VanDerWaalsContact O-CB 3.25Å; S802-S806 WeakPolarHBondContact O-CB 3.36Å; S802-S806 PolarHBondContact O-N 3.42Å; S802-S806 PolarHBondContact O-OG 2.8Å; G803-S806 PolarHBondContact O-N 3.11Å; G803-S806 PolarHBondContact O-OG 3.24Å; S806-P811 WeakPolarHBondContact O-CD 3.19Å
807	G	89	Confident	90.9	Very high	2 Å²	2	28.5 Å²	28.5	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-67.5	-33.9	178.2	0	0	0	0	0	114.2	C762 S766 G803 F805	C762-G807 WeakPolarHBondContact CB-O 3.29Å; S766-G807 WeakPolarHBondContact OG-CA 3.32Å; S766-G807 PolarHBondContact OG-N 2.88Å; G803-G807 WeakPolarHBondContact O-CA 3.42Å; G803-G807 PolarHBondContact O-N 3.19Å; F805-G807 VanDerWaalsContact C-N 3.34Å; F805-G807 PolarHBondContact O-N 3Å
808	Y	89.6	Confident	90.5	Very high	10 Å²	10	32.1 Å²	32.1	4%	0.039	18%	0.183	C	C	.	.	H	α-helix	trans	-115.8	-43.8	-170.7	-166.9	-103.4	0	0	0	114.7	A601 M609 L650 E759 V763 G804 F805 K812	A601-Y808 PolarHBondContact O-OH 2.94Å; M609-Y808 HydrophobicContact CE-CD1 4.23Å; M609-Y808 HydrophobicContact CE-CE1 3.43Å; M609-Y808 VanDerWaalsContact CE-CE1 3.43Å; M609-Y808 HydrophobicContact SD-CD1 4.44Å; M609-Y808 HydrophobicContact SD-CE1 4.04Å; L650-Y808 HydrophobicContact CD2-CD1 4.04Å; L650-Y808 HydrophobicContact CD2-CD2 3.4Å; L650-Y808 HydrophobicContact CD2-CE1 4.21Å; L650-Y808 HydrophobicContact CD2-CE2 3.59Å; L650-Y808 HydrophobicContact CD2-CG 3.62Å; E759-Y808 WeakPolarHBondContact OE2-CE2 3.4Å; V763-Y808 HydrophobicContact CG2-CD2 3.76Å; G804-Y808 PolarHBondContact O-N 2.84Å; F805-Y808 PolarHBondContact O-N 3.44Å; Y808-K812 WeakPolarHBondContact O-CD 3.49Å; Y808-K812 PolarHBondContact OH-NZ 3.48Å
809	F	91.8	Very high	90	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-34.2	-171.7	-69	-72.9	0	0	0	113.3	F589 C606 M609 L610 L613 F646 F805 K812 C813	F589-F809 AromaticContact CE2-CD1 3.79Å; F589-F809 HydrophobicContact CE2-CD1 3.79Å; F589-F809 HydrophobicContact CE2-CE1 4.03Å; F589-F809 HydrophobicContact CZ-CD1 4.01Å; C606-F809 HydrophobicContact CB-CE1 4.22Å; M609-F809 HydrophobicContact CB-CE2 4.18Å; M609-F809 HydrophobicContact CB-CZ 3.68Å; M609-F809 HydrophobicContact CE-CZ 4.07Å; M609-F809 HydrophobicContact SD-CZ 4.48Å; L610-F809 HydrophobicContact CD1-CD1 4.37Å; L610-F809 HydrophobicContact CD1-CE1 4.04Å; L610-F809 HydrophobicContact CD1-CZ 4.42Å; L610-F809 HydrophobicContact CD2-CD1 4.01Å; L610-F809 HydrophobicContact CD2-CD2 3.78Å; L610-F809 HydrophobicContact CD2-CE1 3.96Å; L610-F809 HydrophobicContact CD2-CE2 3.71Å; L610-F809 HydrophobicContact CD2-CG 3.92Å; L610-F809 HydrophobicContact CD2-CZ 3.81Å; L610-F809 HydrophobicContact CG-CD1 4.23Å; L610-F809 HydrophobicContact CG-CE1 3.74Å; L610-F809 HydrophobicContact CG-CE2 4.03Å; L610-F809 HydrophobicContact CG-CZ 3.62Å; L613-F809 HydrophobicContact CD1-CD2 4.29Å; L613-F809 HydrophobicContact CD1-CE2 3.96Å; F646-F809 HydrophobicContact CE2-CE2 4.06Å; F805-F809 HydrophobicContact CD2-CB 3.91Å; F805-F809 HydrophobicContact CD2-CD2 4.31Å; F805-F809 HydrophobicContact CD2-CG 4.49Å; F805-F809 HydrophobicContact CE2-CB 3.94Å; F805-F809 WeakPolarHBondContact O-CB 3.33Å; F805-F809 PolarHBondContact O-N 3.38Å; F809-K812 WeakPolarHBondContact O-CB 3.25Å; F809-K812 PolarHBondContact O-N 3.1Å; F809-K812 VanDerWaalsContact O-N 3.13Å; F809-C813 PolarHBondContact O-N 3.43Å; F809-C813 PolarHBondContact O-SG 3.12Å
810	L	89	Confident	89.2	Confident	91 Å²	91	39.3 Å²	39.3	48%	0.476	21%	0.214	S	C	.	.	H	α-helix	trans	-60.4	-43.1	-176.8	-173.4	68	0	0	0	113.6	F805 K812 C813 Y814	F805-L810 HydrophobicContact CE1-CD1 4.43Å; F805-L810 PolarHBondContact O-N 3.08Å; L810-K812 PolarHBondContact O-N 3.24Å; L810-C813 PolarHBondContact O-N 3.12Å; L810-Y814 PolarHBondContact O-N 3.31Å
811	P	87	Confident	88.4	Confident	45 Å²	45	43.8 Å²	43.8	29%	0.292	24%	0.235	S	C	.	.	H	α-helix	trans	-59.7	-37.1	175.4	-24.1	35	0	0	0	112.3	S806 Y814 V815	S806-P811 WeakPolarHBondContact O-CD 3.19Å; P811-Y814 WeakPolarHBondContact O-CB 3.17Å; P811-Y814 PolarHBondContact O-N 2.95Å; P811-V815 WeakPolarHBondContact O-CG2 3.2Å; P811-V815 PolarHBondContact O-N 2.76Å
812	K	86.4	Confident	87.5	Confident	5 Å²	5	46.3 Å²	46.3	2%	0.022	25%	0.248	C	C	.	.	H	α-helix	trans	-70.5	-40.5	178.7	-69.2	169.5	171.5	145.2	0	112.2	F589 V597 A601 E759 Y808 F809 L810 Y814 V815 I816	F589-K812 HydrophobicContact CE1-CB 4.37Å; F589-K812 HydrophobicContact CZ-CB 3.77Å; F589-K812 HydrophobicContact CZ-CD 4.22Å; V597-K812 HydrophobicContact CG1-CB 3.99Å; V597-K812 HydrophobicContact CG1-CG 4.08Å; A601-K812 HydrophobicContact CB-CD 3.44Å; A601-K812 VanDerWaalsContact CB-CD 3.44Å; E759-K812 WeakPolarHBondContact OE1-CE 3.28Å; E759-K812 IonicContact OE1-NZ 3.34Å; E759-K812 PolarHBondContact OE1-NZ 3.37Å; E759-K812 VanDerWaalsContact OE1-NZ 3.16Å; E759-K812 WeakPolarHBondContact OE2-CE 3.38Å; E759-K812 IonicContact OE2-NZ 2.67Å; E759-K812 PolarHBondContact OE2-NZ 3.27Å; Y808-K812 WeakPolarHBondContact O-CD 3.49Å; Y808-K812 PolarHBondContact OH-NZ 3.48Å; F809-K812 WeakPolarHBondContact O-CB 3.25Å; F809-K812 PolarHBondContact O-N 3.1Å; F809-K812 VanDerWaalsContact O-N 3.13Å; L810-K812 PolarHBondContact O-N 3.24Å; K812-Y814 VanDerWaalsContact C-N 3.3Å; K812-V815 PolarHBondContact O-N 3.36Å; K812-I816 VanDerWaalsContact O-CG1 3.28Å; K812-I816 WeakPolarHBondContact O-CG1 3.49Å; K812-I816 PolarHBondContact O-N 3.26Å
813	C	89	Confident	86.6	Confident	9 Å²	9	45.4 Å²	45.4	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-40.5	174.9	-62.1	0	0	0	0	110.8	T585 L588 F809 L810 I816 L817	T585-C813 HydrophobicContact CG2-CB 4.49Å; T585-C813 WeakPolarHBondContact CG2-SG 3.28Å; L588-C813 HydrophobicContact CD2-CB 4.3Å; F809-C813 PolarHBondContact O-N 3.43Å; F809-C813 PolarHBondContact O-SG 3.12Å; L810-C813 PolarHBondContact O-N 3.12Å; C813-I816 PolarHBondContact O-N 3.2Å; C813-L817 WeakPolarHBondContact O-CB 3.43Å; C813-L817 WeakPolarHBondContact O-CG 3.01Å; C813-L817 PolarHBondContact O-N 3.27Å
814	Y	87.3	Confident	86	Confident	125 Å²	125	48.5 Å²	48.5	49%	0.49	26%	0.256	S	S	.	.	H	α-helix	trans	-59.9	-45.1	173.5	177.6	-97.4	0	0	0	111.9	L810 P811 K812 L817 C818 R819	L810-Y814 PolarHBondContact O-N 3.31Å; P811-Y814 WeakPolarHBondContact O-CB 3.17Å; P811-Y814 PolarHBondContact O-N 2.95Å; K812-Y814 VanDerWaalsContact C-N 3.3Å; Y814-L817 PolarHBondContact O-N 3.39Å; Y814-C818 HydrophobicContact CD2-CB 3.79Å; Y814-C818 HydrophobicContact CE2-CB 3.61Å; Y814-C818 HydrophobicContact CG-CB 4.39Å; Y814-C818 WeakPolarHBondContact O-CA 3.1Å; Y814-C818 WeakPolarHBondContact O-CB 3.41Å; Y814-C818 PolarHBondContact O-N 2.92Å; Y814-R819 HydrophobicContact CD1-CG 4.36Å; Y814-R819 HydrophobicContact CE1-CG 3.62Å; Y814-R819 PolarHBondContact O-N 3.4Å
815	V	84.9	Confident	85.2	Confident	33 Å²	33	52.4 Å²	52.4	20%	0.2	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-44.5	176.2	175.1	0	0	0	0	111.5	V597 P811 K812 L817 R819 L822	V597-V815 HydrophobicContact CG2-CG1 3.71Å; P811-V815 WeakPolarHBondContact O-CG2 3.2Å; P811-V815 PolarHBondContact O-N 2.76Å; K812-V815 PolarHBondContact O-N 3.36Å; V815-L817 PolarHBondContact O-N 2.02Å; V815-R819 CarbonylContact O-C 3.54Å; V815-R819 PolarHBondContact O-N 3.3Å; V815-L822 HydrophobicContact CG1-CB 4.04Å
816	I	85.8	Confident	84.4	Confident	12 Å²	12	58.6 Å²	58.6	6%	0.062	31%	0.308	C	S	.	.	H	α-helix	trans	-66.4	-38.1	-178.7	-68.6	166.8	0	0	0	112.3	L588 F589 R592 V597 V598 K812 C813	L588-I816 HydrophobicContact CD1-CG2 3.95Å; L588-I816 HydrophobicContact CD2-CB 4.44Å; L588-I816 HydrophobicContact CD2-CG2 4.09Å; L588-I816 HydrophobicContact CG-CG2 4.07Å; F589-I816 HydrophobicContact CD1-CD1 3.89Å; F589-I816 HydrophobicContact CE1-CD1 3.58Å; F589-I816 HydrophobicContact CZ-CD1 4.39Å; R592-I816 HydrophobicContact CB-CG2 4.41Å; R592-I816 HydrophobicContact CG-CG2 3.97Å; V597-I816 HydrophobicContact CB-CG1 4.25Å; V597-I816 HydrophobicContact CG1-CD1 4.01Å; V597-I816 HydrophobicContact CG1-CG1 3.96Å; V598-I816 HydrophobicContact CG2-CD1 3.84Å; K812-I816 VanDerWaalsContact O-CG1 3.28Å; K812-I816 WeakPolarHBondContact O-CG1 3.49Å; K812-I816 PolarHBondContact O-N 3.26Å; C813-I816 PolarHBondContact O-N 3.2Å
817	L	86.5	Confident	83.7	Confident	112 Å²	112	58.9 Å²	58.9	59%	0.586	30%	0.303	S	S	*	.	H	α-helix	trans	-92.9	-43.7	-173.3	-66.3	173.2	0	0	0	113.4	L588 C813 Y814 V815	L588-L817 HydrophobicContact CD1-CD2 3.8Å; L588-L817 HydrophobicContact CD1-CG 4.5Å; L588-L817 HydrophobicContact CD2-CD1 3.99Å; L588-L817 HydrophobicContact CD2-CD2 4.06Å; L588-L817 HydrophobicContact CD2-CG 3.87Å; C813-L817 WeakPolarHBondContact O-CB 3.43Å; C813-L817 WeakPolarHBondContact O-CG 3.01Å; C813-L817 PolarHBondContact O-N 3.27Å; Y814-L817 PolarHBondContact O-N 3.39Å; V815-L817 PolarHBondContact O-N 2.02Å
818	C	85.9	Confident	82.9	Confident	75 Å²	75	60 Å²	60	51%	0.507	31%	0.308	S	S	.	.	H	α-helix	trans	-107	-19.3	-168.8	-57.8	0	0	0	0	113.7	Y814 P820	Y814-C818 HydrophobicContact CD2-CB 3.79Å; Y814-C818 HydrophobicContact CE2-CB 3.61Å; Y814-C818 HydrophobicContact CG-CB 4.39Å; Y814-C818 WeakPolarHBondContact O-CA 3.1Å; Y814-C818 WeakPolarHBondContact O-CB 3.41Å; Y814-C818 PolarHBondContact O-N 2.92Å; C818-P820 VanDerWaalsContact C-CD 3.48Å
819	R	84.8	Confident	82.3	Confident	113 Å²	113	65.3 Å²	65.3	43%	0.426	33%	0.333	S	S	.	.			trans	-134.1	52.7	-177.9	-64.1	-70.4	-167.8	168.1	3.3	112.6	Y814 V815 E821 L822	Y814-R819 HydrophobicContact CD1-CG 4.36Å; Y814-R819 HydrophobicContact CE1-CG 3.62Å; Y814-R819 PolarHBondContact O-N 3.4Å; V815-R819 CarbonylContact O-C 3.54Å; V815-R819 PolarHBondContact O-N 3.3Å; R819-E821 VanDerWaalsContact CA-OE2 3.23Å; R819-E821 WeakPolarHBondContact CA-OE2 3.13Å; R819-E821 WeakPolarHBondContact CD-OE1 3.1Å; R819-E821 IonicContact CZ-OE1 3Å; R819-E821 IonicContact NE-OE1 2.9Å; R819-E821 IonicContact NH1-OE1 3.96Å; R819-E821 PolarHBondContact NH1-OE1 2.82Å; R819-E821 PolarHBondContact O-N 3.01Å; R819-E821 VanDerWaalsContact O-N 3.07Å; R819-L822 HydrophobicContact CB-CD1 3.79Å; R819-L822 HydrophobicContact CB-CG 4.11Å; R819-L822 HydrophobicContact CG-CD1 4.27Å; R819-L822 PolarHBondContact O-N 2.79Å
820	P	79.9	Confident	81.6	Confident	79 Å²	79	67.7 Å²	67.7	51%	0.513	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-59.9	-21.2	-176.2	27.4	-36	0	0	0	113.4	C818 L822 N823	C818-P820 VanDerWaalsContact C-CD 3.48Å; P820-L822 PolarHBondContact O-N 3.3Å; P820-N823 VanDerWaalsContact O-CB 3.3Å; P820-N823 WeakPolarHBondContact O-CB 2.87Å; P820-N823 PolarHBondContact O-N 3.42Å
821	E	79	Confident	80.8	Confident	97 Å²	97	64.3 Å²	64.3	45%	0.453	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-60.4	-28.4	173.6	67.8	-82.9	-165.3	0	0	113.5	R819 N823	R819-E821 VanDerWaalsContact CA-OE2 3.23Å; R819-E821 WeakPolarHBondContact CA-OE2 3.13Å; R819-E821 WeakPolarHBondContact CD-OE1 3.1Å; R819-E821 IonicContact CZ-OE1 3Å; R819-E821 IonicContact NE-OE1 2.9Å; R819-E821 IonicContact NH1-OE1 3.96Å; R819-E821 PolarHBondContact NH1-OE1 2.82Å; R819-E821 PolarHBondContact O-N 3.01Å; R819-E821 VanDerWaalsContact O-N 3.07Å; E821-N823 VanDerWaalsContact C-N 3.28Å
822	L	76.4	Confident	80.1	Confident	53 Å²	53	64.8 Å²	64.8	28%	0.277	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-83.6	-6.9	176.4	-52.7	176.3	0	0	0	112.2	V815 R819 P820 N824 H827	V815-L822 HydrophobicContact CG1-CB 4.04Å; R819-L822 HydrophobicContact CB-CD1 3.79Å; R819-L822 HydrophobicContact CB-CG 4.11Å; R819-L822 HydrophobicContact CG-CD1 4.27Å; R819-L822 PolarHBondContact O-N 2.79Å; P820-L822 PolarHBondContact O-N 3.3Å; L822-N824 VanDerWaalsContact C-N 3.31Å; L822-N824 PolarHBondContact O-N 3.23Å; L822-H827 WeakPolarHBondContact CD2-NE2 3.31Å
823	N	76.7	Confident	79.6	Confident	25 Å²	25	71 Å²	71	13%	0.134	37%	0.365	C	S	.	.			trans	-94.4	41.1	-176.2	-164.8	12.7	0	0	0	112.4	T595 P596 V597 P820 E821	T595-N823 WeakPolarHBondContact CB-ND2 3.25Å; T595-N823 WeakPolarHBondContact CB-OD1 3.34Å; T595-N823 WeakPolarHBondContact CG2-ND2 3.2Å; P596-N823 WeakPolarHBondContact CD-O 3.38Å; P596-N823 VanDerWaalsContact CD-OD1 3.29Å; P596-N823 WeakPolarHBondContact CD-OD1 3.25Å; P596-N823 VanDerWaalsContact CG-O 3.31Å; P596-N823 WeakPolarHBondContact CG-O 3.2Å; P596-N823 WeakPolarHBondContact CG-OD1 3.47Å; V597-N823 WeakPolarHBondContact CB-OD1 3.18Å; V597-N823 HydrophobicContact CG2-CB 4.05Å; V597-N823 WeakPolarHBondContact CG2-OD1 3.32Å; V597-N823 PolarHBondContact N-OD1 2.87Å; P820-N823 VanDerWaalsContact O-CB 3.3Å; P820-N823 WeakPolarHBondContact O-CB 2.87Å; P820-N823 PolarHBondContact O-N 3.42Å; E821-N823 VanDerWaalsContact C-N 3.28Å
824	N	79.9	Confident	78.9	Confident	65 Å²	65	73.9 Å²	73.9	35%	0.348	38%	0.38	S	S	.	.	S	Bend	trans	-118.7	158.3	173.8	72.7	11.9	0	0	0	111	L822 E826 H827 F828	L822-N824 VanDerWaalsContact C-N 3.31Å; L822-N824 PolarHBondContact O-N 3.23Å; N824-E826 VanDerWaalsContact C-N 3.31Å; N824-E826 PolarHBondContact O-N 2.85Å; N824-H827 WeakPolarHBondContact OD1-CA 3.3Å; N824-H827 WeakPolarHBondContact OD1-CB 3.25Å; N824-H827 PolarHBondContact OD1-N 2.85Å; N824-F828 WeakPolarHBondContact O-CD2 3.17Å
825	T	76.8	Confident	78.1	Confident	91 Å²	91	69.3 Å²	69.3	56%	0.558	36%	0.362	S	S	*	.	H	α-helix	trans	-68.6	-31.8	-178.4	42.3	0	0	0	0	112.7	P596 F828 Q829	P596-T825 HydrophobicContact CB-CG2 4.19Å; P596-T825 HydrophobicContact CG-CG2 4.48Å; T825-F828 PolarHBondContact O-N 3.47Å; T825-Q829 WeakPolarHBondContact O-CG 3.42Å; T825-Q829 PolarHBondContact O-N 2.83Å
826	E	76.6	Confident	77.4	Confident	141 Å²	141	71.5 Å²	71.5	66%	0.659	38%	0.376	S	S	*	.	H	α-helix	trans	-63.1	-42.5	-179.5	-65.9	176.1	-174.5	0	0	111.7	N824 Q829 A830	N824-E826 VanDerWaalsContact C-N 3.31Å; N824-E826 PolarHBondContact O-N 2.85Å; E826-Q829 PolarHBondContact O-N 3.46Å; E826-A830 WeakPolarHBondContact O-CB 3.48Å; E826-A830 PolarHBondContact O-N 2.73Å
827	H	74.6	Confident	76.7	Confident	53 Å²	53	80.1 Å²	80.1	25%	0.245	41%	0.408	C	S	.	.	H	α-helix	trans	-65.1	-42.5	177.9	-175.8	-104.6	0	0	0	112	N756 L822 N824 Q829 A830 S831	N756-H827 PolarHBondContact ND2-CE1 2.78Å; N756-H827 PolarHBondContact ND2-ND1 3.13Å; N756-H827 PolarHBondContact OD1-CE1 3.35Å; L822-H827 WeakPolarHBondContact CD2-NE2 3.31Å; N824-H827 WeakPolarHBondContact OD1-CA 3.3Å; N824-H827 WeakPolarHBondContact OD1-CB 3.25Å; N824-H827 PolarHBondContact OD1-N 2.85Å; H827-Q829 VanDerWaalsContact C-N 3.35Å; H827-Q829 PolarHBondContact O-N 3.45Å; H827-A830 PolarHBondContact O-N 2.79Å; H827-S831 PolarHBondContact O-N 2.84Å; H827-S831 PolarHBondContact O-OG 3.2Å
828	F	73.1	Confident	75.9	Confident	27 Å²	27	81.4 Å²	81.4	12%	0.118	40%	0.404	C	S	.	.	H	α-helix	trans	-62.2	-41.6	174.3	-84.1	-87.2	0	0	0	112	P596 V597 N756 N824 T825 I832	P596-F828 HydrophobicContact CB-CD2 4.02Å; P596-F828 HydrophobicContact CB-CE2 4.13Å; P596-F828 HydrophobicContact CG-CD2 4.39Å; P596-F828 HydrophobicContact CG-CE2 4.39Å; V597-F828 HydrophobicContact CG2-CE2 3.79Å; V597-F828 HydrophobicContact CG2-CZ 3.87Å; N756-F828 HydrophobicContact CB-CE1 4.38Å; N824-F828 WeakPolarHBondContact O-CD2 3.17Å; T825-F828 PolarHBondContact O-N 3.47Å; F828-I832 VanDerWaalsContact O-CG1 3.32Å; F828-I832 WeakPolarHBondContact O-CG1 3.37Å; F828-I832 PolarHBondContact O-N 3.35Å
829	Q	77.1	Confident	75	Confident	121 Å²	121	80.5 Å²	80.5	57%	0.565	40%	0.398	S	S	*	.	H	α-helix	trans	-66.5	-43.1	176.7	-74	178.3	-20.6	0	0	112	T825 E826 H827 S831 I832 Q833	T825-Q829 WeakPolarHBondContact O-CG 3.42Å; T825-Q829 PolarHBondContact O-N 2.83Å; E826-Q829 PolarHBondContact O-N 3.46Å; H827-Q829 VanDerWaalsContact C-N 3.35Å; H827-Q829 PolarHBondContact O-N 3.45Å; Q829-S831 PolarHBondContact O-N 3.39Å; Q829-I832 PolarHBondContact O-N 2.84Å; Q829-Q833 WeakPolarHBondContact O-CG 3.44Å; Q829-Q833 PolarHBondContact O-N 3.37Å
830	A	76.8	Confident	73.8	Confident	49 Å²	49	78.2 Å²	78.2	41%	0.405	41%	0.41	S	S	.	.	H	α-helix	trans	-59.6	-44.8	177.9	0	0	0	0	0	111.6	E826 H827 I832 Q833 D834	E826-A830 WeakPolarHBondContact O-CB 3.48Å; E826-A830 PolarHBondContact O-N 2.73Å; H827-A830 PolarHBondContact O-N 2.79Å; A830-I832 PolarHBondContact O-N 3.45Å; A830-Q833 PolarHBondContact O-N 2.87Å; A830-D834 WeakPolarHBondContact O-CB 3.37Å; A830-D834 PolarHBondContact O-N 3.04Å
831	S	72.7	Confident	72.4	Confident	21 Å²	21	80.1 Å²	80.1	15%	0.147	42%	0.42	C	S	.	.	H	α-helix	trans	-65.9	-35.6	177	-58.1	0	0	0	0	113.3	P754 N756 H827 Q829 Y835	P754-S831 WeakPolarHBondContact CB-O 3.26Å; N756-S831 PolarHBondContact ND2-OG 3.49Å; H827-S831 PolarHBondContact O-N 2.84Å; H827-S831 PolarHBondContact O-OG 3.2Å; Q829-S831 PolarHBondContact O-N 3.39Å; S831-Y835 PolarHBondContact O-N 2.91Å; S831-Y835 VanDerWaalsContact O-N 3.13Å
832	I	72.5	Confident	70.7	Confident	55 Å²	55	83.3 Å²	83.3	28%	0.282	45%	0.447	S	S	.	.	H	α-helix	trans	-66.7	-44.4	175.2	-69.1	167.6	0	0	0	110.5	F661 Y757 F828 Q829 A830 Y835 T836	F661-I832 HydrophobicContact CE1-CG1 4.29Å; F661-I832 HydrophobicContact CE1-CG2 4.25Å; F661-I832 HydrophobicContact CZ-CD1 4.49Å; F661-I832 HydrophobicContact CZ-CG1 4.17Å; Y757-I832 HydrophobicContact CE2-CD1 4.5Å; Y757-I832 HydrophobicContact CE2-CG1 4.22Å; F828-I832 VanDerWaalsContact O-CG1 3.32Å; F828-I832 WeakPolarHBondContact O-CG1 3.37Å; F828-I832 PolarHBondContact O-N 3.35Å; Q829-I832 PolarHBondContact O-N 2.84Å; A830-I832 PolarHBondContact O-N 3.45Å; I832-Y835 PolarHBondContact O-N 2.89Å; I832-T836 PolarHBondContact O-N 3.46Å; I832-T836 PolarHBondContact O-OG1 2.93Å; I832-T836 VanDerWaalsContact O-OG1 3.07Å
833	Q	75	Confident	70.4	Confident	134 Å²	134	84.9 Å²	84.9	63%	0.626	46%	0.455	S	S	*	.	H	α-helix	trans	-63.3	-40.8	177.7	-74.4	178.5	-9.3	0	0	112.4	Q829 A830 T836 R837	Q829-Q833 WeakPolarHBondContact O-CG 3.44Å; Q829-Q833 PolarHBondContact O-N 3.37Å; A830-Q833 PolarHBondContact O-N 2.87Å; Q833-T836 WeakPolarHBondContact CA-OG1 3.23Å; Q833-T836 PolarHBondContact O-OG1 3.07Å; Q833-T836 VanDerWaalsContact O-OG1 3.07Å; Q833-R837 VanDerWaalsContact O-CB 3.31Å; Q833-R837 WeakPolarHBondContact O-CB 3.38Å; Q833-R837 PolarHBondContact O-N 3.45Å
834	D	74.5	Confident	70.1	Confident	71 Å²	71	88 Å²	88	38%	0.38	47%	0.472	S	S	.	.	H	α-helix	trans	-65.3	-40.8	177.6	-169.5	47.9	0	0	0	111.6	A830 R837 R838	A830-D834 WeakPolarHBondContact O-CB 3.37Å; A830-D834 PolarHBondContact O-N 3.04Å; D834-R837 PolarHBondContact O-N 3.42Å; D834-R838 WeakPolarHBondContact O-CG 3.49Å; D834-R838 PolarHBondContact O-N 3.36Å; D834-R838 IonicContact OD2-CZ 3.88Å; D834-R838 IonicContact OD2-NE 3.87Å; D834-R838 PolarHBondContact OD2-NE 3.39Å; D834-R838 IonicContact OD2-NH2 3.02Å; D834-R838 PolarHBondContact OD2-NH2 3.41Å
835	Y	70.7	Confident	69.6	Low	28 Å²	28	89.3 Å²	89.3	11%	0.11	48%	0.479	C	S	.	.	H	α-helix	trans	-64.6	-48.5	174.3	174	-97.7	0	0	0	113	F661 E752 P754 S831 I832 R837 R838 C839	F661-Y835 HydrophobicContact CB-CE1 4.27Å; F661-Y835 HydrophobicContact CD1-CD1 4.1Å; F661-Y835 AromaticContact CD1-CE1 3.95Å; F661-Y835 HydrophobicContact CD1-CE1 3.95Å; F661-Y835 HydrophobicContact CG-CE1 4.48Å; E752-Y835 WeakPolarHBondContact O-CE2 3.49Å; P754-Y835 HydrophobicContact CB-CG 4.28Å; P754-Y835 HydrophobicContact CG-CD1 4.16Å; P754-Y835 HydrophobicContact CG-CD2 4.18Å; P754-Y835 HydrophobicContact CG-CG 3.69Å; S831-Y835 PolarHBondContact O-N 2.91Å; S831-Y835 VanDerWaalsContact O-N 3.13Å; I832-Y835 PolarHBondContact O-N 2.89Å; Y835-R837 PolarHBondContact O-N 2.98Å; Y835-R838 PolarHBondContact O-N 3.43Å; Y835-R838 VanDerWaalsContact O-N 3.14Å; Y835-C839 PolarHBondContact O-N 3.15Å
836	T	71.2	Confident	69.1	Low	80 Å²	80	89.2 Å²	89.2	49%	0.491	48%	0.475	S	S	.	.	H	α-helix	trans	-62.7	-33.3	178.4	46.1	0	0	0	0	111.6	I832 Q833 G840	I832-T836 PolarHBondContact O-N 3.46Å; I832-T836 PolarHBondContact O-OG1 2.93Å; I832-T836 VanDerWaalsContact O-OG1 3.07Å; Q833-T836 WeakPolarHBondContact CA-OG1 3.23Å; Q833-T836 PolarHBondContact O-OG1 3.07Å; Q833-T836 VanDerWaalsContact O-OG1 3.07Å; T836-G840 PolarHBondContact O-N 2.95Å
837	R	70.6	Confident	68.7	Low	193 Å²	193	85.9 Å²	85.9	73%	0.728	46%	0.463	S	S	*	.	H	α-helix	trans	-64.2	-46.2	172.4	-166.7	179	-171.9	177	2.7	112.1	Q833 D834 Y835 G840 T841	Q833-R837 VanDerWaalsContact O-CB 3.31Å; Q833-R837 WeakPolarHBondContact O-CB 3.38Å; Q833-R837 PolarHBondContact O-N 3.45Å; D834-R837 PolarHBondContact O-N 3.42Å; Y835-R837 PolarHBondContact O-N 2.98Å; R837-G840 PolarHBondContact O-N 3.47Å; R837-T841 PolarHBondContact O-N 3.01Å; R837-T841 PolarHBondContact O-OG1 3.42Å
838	R	69.6	Low	68.3	Low	138 Å²	138	88.1 Å²	88.1	52%	0.521	48%	0.478	S	S	.	.	H	α-helix	trans	-61.7	-43.5	176.5	-70.4	-177	-146.3	-177.3	4.3	112.3	D834 Y835 G840 T841	D834-R838 WeakPolarHBondContact O-CG 3.49Å; D834-R838 PolarHBondContact O-N 3.36Å; D834-R838 IonicContact OD2-CZ 3.88Å; D834-R838 IonicContact OD2-NE 3.87Å; D834-R838 PolarHBondContact OD2-NE 3.39Å; D834-R838 IonicContact OD2-NH2 3.02Å; D834-R838 PolarHBondContact OD2-NH2 3.41Å; Y835-R838 PolarHBondContact O-N 3.43Å; Y835-R838 VanDerWaalsContact O-N 3.14Å; R838-G840 VanDerWaalsContact C-N 3.31Å; R838-G840 PolarHBondContact O-N 3.08Å; R838-T841 PolarHBondContact O-N 3.2Å; R838-T841 PolarHBondContact O-OG1 3.2Å
839	C	66.3	Low	67.9	Low	56 Å²	56	92.5 Å²	92.5	38%	0.378	50%	0.503	S	S	.	.	H	α-helix	trans	-70.8	-23	177.3	-73.3	0	0	0	0	113.8	Y835 T842	Y835-C839 PolarHBondContact O-N 3.15Å; C839-T842 PolarHBondContact O-OG1 3.35Å
840	G	59.1	Low	67.2	Low	65 Å²	65	90.3 Å²	90.3	67%	0.67	50%	0.498	S	S	*	.	H	α-helix	trans	-81.8	-17.3	175.2	0	0	0	0	0	114.2	T836 R837 R838	T836-G840 PolarHBondContact O-N 2.95Å; R837-G840 PolarHBondContact O-N 3.47Å; R838-G840 VanDerWaalsContact C-N 3.31Å; R838-G840 PolarHBondContact O-N 3.08Å
841	T	52.3	Low	66.4	Low	119 Å²	119	93.8 Å²	93.8	73%	0.73	51%	0.506	S	S	*	.			trans	-89.6	-8.7	175.1	45.8	0	0	0	0	114.2	R837 R838	R837-T841 PolarHBondContact O-N 3.01Å; R837-T841 PolarHBondContact O-OG1 3.42Å; R838-T841 PolarHBondContact O-N 3.2Å; R838-T841 PolarHBondContact O-OG1 3.2Å
842	T	42.9	Very low	65.9	Low	165 Å²	165	100.4 Å²	100.4	100%	1.012	54%	0.539	S	S	*	.			trans	-101.1	0	170.3	50.8	0	0	0	0	109.9	C839	C839-T842 PolarHBondContact O-OG1 3.35Å

Retrieved 842 of 842 residues in 606.3 ms (Link to these results)

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