A0A077ZJT9_TRITR Loading...

Histone H2B

Core component of nucleosome. Nucleosomes wrap and compact DNA into chromatin, limiting DNA accessibility to the cellular machineries which require DNA as a template. Histones thereby play a central role in transcription regulation, DNA repair, DNA replication and chromosomal stability. DNA accessibility is regulated via a complex set of post-translational modifications of histones, also called histone code, and nucleosome remodeling.

AlphaFold DB , UniProt , Accession A0A077ZJT9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 237 aa.

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(Predicted Aligned Error values between residue pairs)

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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	44.1	Very low	50.3	Low	232 Å²	232	118.7 Å²	118.7	100%	1.143	59%	0.586	S	S	*	*				0	-10.4	0	-73.1	-169.4	163.1	0	0	115.1
2	N	48.7	Very low	50.7	Low	121 Å²	121	123.2 Å²	123.2	65%	0.647	59%	0.591	S	S	*	*			trans	-81.7	-14.9	-177.2	-83.2	-21.3	0	0	0	116.2	S4 R5 E6	N2-S4 PolarHBondContact O-N 3.03Å; N2-R5 PolarHBondContact O-N 3.29Å; N2-E6 PolarHBondContact O-N 3.02Å
3	T	47.9	Very low	50.7	Low	91 Å²	91	128.6 Å²	128.6	56%	0.558	60%	0.602	S	S	*	*	H	α-helix	trans	-66.6	-34.6	-172.9	51.2	0	0	0	0	114	R5 E6 F7	T3-R5 VanDerWaalsContact C-N 3.3Å; T3-R5 PolarHBondContact O-N 2.85Å; T3-E6 PolarHBondContact O-N 3.38Å; T3-F7 WeakPolarHBondContact O-CB 3.08Å; T3-F7 PolarHBondContact O-N 3.02Å
4	S	47.1	Very low	51	Low	57 Å²	57	125.3 Å²	125.3	40%	0.399	59%	0.586	S	S	.	*	H	α-helix	trans	-66.5	-32.5	177	-172	0	0	0	0	112.4	N2 R8	N2-S4 PolarHBondContact O-N 3.03Å; S4-R8 WeakPolarHBondContact O-CB 3.3Å; S4-R8 WeakPolarHBondContact O-CG 3.15Å; S4-R8 PolarHBondContact O-N 3.36Å; S4-R8 VanDerWaalsContact O-N 3.15Å; S4-R8 PolarHBondContact OG-NE 3.09Å; S4-R8 PolarHBondContact OG-NH2 3.21Å
5	R	51.3	Low	51.2	Low	201 Å²	201	126.8 Å²	126.8	76%	0.758	59%	0.59	S	S	*	*	H	α-helix	trans	-73.3	-42.7	177.4	-79.2	-173.7	174.7	-168.3	-0.2	110.9	N2 T3 R8 A9	N2-R5 PolarHBondContact O-N 3.29Å; T3-R5 VanDerWaalsContact C-N 3.3Å; T3-R5 PolarHBondContact O-N 2.85Å; R5-R8 PolarHBondContact O-N 3.37Å; R5-A9 WeakPolarHBondContact O-CB 3.3Å; R5-A9 PolarHBondContact O-N 2.81Å
6	E	49.1	Very low	51.8	Low	136 Å²	136	121 Å²	121	64%	0.636	58%	0.575	S	S	*	*	H	α-helix	trans	-63.1	-45.8	175.6	-74.6	-176.8	158.2	0	0	112	N2 T3 R8 A9 L10	N2-E6 PolarHBondContact O-N 3.02Å; T3-E6 PolarHBondContact O-N 3.38Å; E6-R8 PolarHBondContact O-N 3.21Å; E6-A9 CarbonylContact O-C 3.45Å; E6-A9 WeakPolarHBondContact O-CB 3.43Å; E6-A9 PolarHBondContact O-N 2.99Å; E6-A9 VanDerWaalsContact O-N 3.09Å; E6-L10 WeakPolarHBondContact O-CB 3.43Å; E6-L10 PolarHBondContact O-N 3.33Å
7	F	45.7	Very low	52.1	Low	132 Å²	132	123.7 Å²	123.7	58%	0.579	58%	0.578	S	S	*	*	H	α-helix	trans	-62.7	-41.4	178.4	-165.1	-96.2	0	0	0	112.1	T3 A9 L10 S11	T3-F7 WeakPolarHBondContact O-CB 3.08Å; T3-F7 PolarHBondContact O-N 3.02Å; F7-A9 VanDerWaalsContact C-N 3.35Å; F7-L10 PolarHBondContact O-N 3.42Å; F7-S11 WeakPolarHBondContact O-CB 3.43Å; F7-S11 PolarHBondContact O-N 3.01Å
8	R	56.3	Low	51.9	Low	161 Å²	161	122.1 Å²	122.1	61%	0.608	57%	0.574	S	S	*	*	H	α-helix	trans	-67.8	-32.5	173.5	-73.1	-173.9	-131.6	-166.6	1.9	112.7	S4 R5 E6 R12	S4-R8 WeakPolarHBondContact O-CB 3.3Å; S4-R8 WeakPolarHBondContact O-CG 3.15Å; S4-R8 PolarHBondContact O-N 3.36Å; S4-R8 VanDerWaalsContact O-N 3.15Å; S4-R8 PolarHBondContact OG-NE 3.09Å; S4-R8 PolarHBondContact OG-NH2 3.21Å; R5-R8 PolarHBondContact O-N 3.37Å; E6-R8 PolarHBondContact O-N 3.21Å; R8-R12 WeakPolarHBondContact O-CB 2.97Å; R8-R12 VanDerWaalsContact O-CG 3.31Å; R8-R12 WeakPolarHBondContact O-CG 3.37Å; R8-R12 PolarHBondContact O-N 3.01Å; R8-R12 VanDerWaalsContact O-N 3.09Å; R8-R12 PolarHBondContact O-NE 2.82Å
9	A	62.1	Low	52.3	Low	36 Å²	36	121.7 Å²	121.7	30%	0.298	57%	0.572	S	S	.	*	H	α-helix	trans	-68.8	-41.1	174.1	0	0	0	0	0	111.5	R5 E6 F7 R12 R13	R5-A9 WeakPolarHBondContact O-CB 3.3Å; R5-A9 PolarHBondContact O-N 2.81Å; E6-A9 CarbonylContact O-C 3.45Å; E6-A9 WeakPolarHBondContact O-CB 3.43Å; E6-A9 PolarHBondContact O-N 2.99Å; E6-A9 VanDerWaalsContact O-N 3.09Å; F7-A9 VanDerWaalsContact C-N 3.35Å; A9-R12 PolarHBondContact O-N 2.96Å; A9-R13 PolarHBondContact O-N 3.32Å
10	L	50	Low	52.5	Low	86 Å²	86	125.6 Å²	125.6	45%	0.45	58%	0.581	S	S	.	*	H	α-helix	trans	-67.3	-45.4	177	-156.9	82.1	0	0	0	111.4	E6 F7 R12 R13 H14	E6-L10 WeakPolarHBondContact O-CB 3.43Å; E6-L10 PolarHBondContact O-N 3.33Å; F7-L10 PolarHBondContact O-N 3.42Å; L10-R12 PolarHBondContact O-N 2.94Å; L10-R13 PolarHBondContact O-N 3.44Å; L10-R13 VanDerWaalsContact O-N 3.15Å; L10-H14 WeakPolarHBondContact O-CB 2.95Å; L10-H14 PolarHBondContact O-N 3Å
11	S	51.4	Low	52.6	Low	53 Å²	53	123.3 Å²	123.3	37%	0.371	57%	0.568	S	S	.	*	H	α-helix	trans	-59.4	-35.9	174	-174.7	0	0	0	0	112	F7 H14 K15	F7-S11 WeakPolarHBondContact O-CB 3.43Å; F7-S11 PolarHBondContact O-N 3.01Å; S11-H14 PolarHBondContact O-N 3.37Å; S11-K15 WeakPolarHBondContact O-CB 3.3Å; S11-K15 WeakPolarHBondContact O-CG 3.49Å; S11-K15 PolarHBondContact O-N 3.31Å
12	R	54.6	Low	52.8	Low	172 Å²	172	119 Å²	119	65%	0.649	54%	0.54	S	S	*	.	H	α-helix	trans	-68.6	-42.4	173.7	-80.5	-175.2	-74.9	-152.6	4.3	112.9	R8 A9 L10 H14 K15 G16	R8-R12 WeakPolarHBondContact O-CB 2.97Å; R8-R12 VanDerWaalsContact O-CG 3.31Å; R8-R12 WeakPolarHBondContact O-CG 3.37Å; R8-R12 PolarHBondContact O-N 3.01Å; R8-R12 VanDerWaalsContact O-N 3.09Å; R8-R12 PolarHBondContact O-NE 2.82Å; A9-R12 PolarHBondContact O-N 2.96Å; L10-R12 PolarHBondContact O-N 2.94Å; R12-H14 VanDerWaalsContact C-N 3.31Å; R12-H14 PolarHBondContact O-N 3.46Å; R12-K15 PolarHBondContact O-N 2.95Å; R12-G16 PolarHBondContact O-N 3Å
13	R	51.3	Low	53.2	Low	194 Å²	194	117.3 Å²	117.3	73%	0.732	53%	0.531	S	S	*	.	H	α-helix	trans	-60.8	-42.8	172.8	-71	-173.5	-150	-167.3	6	111.3	A9 L10 G16 W17	A9-R13 PolarHBondContact O-N 3.32Å; L10-R13 PolarHBondContact O-N 3.44Å; L10-R13 VanDerWaalsContact O-N 3.15Å; R13-G16 PolarHBondContact O-N 3.04Å; R13-W17 PolarHBondContact O-N 3.44Å
14	H	54.8	Low	53.1	Low	82 Å²	82	117.6 Å²	117.6	38%	0.38	54%	0.535	S	S	.	.	H	α-helix	trans	-65.6	-40	-179.7	-143.5	-77.8	0	0	0	112.3	L10 S11 R12 W17 L18	L10-H14 WeakPolarHBondContact O-CB 2.95Å; L10-H14 PolarHBondContact O-N 3Å; S11-H14 PolarHBondContact O-N 3.37Å; R12-H14 VanDerWaalsContact C-N 3.31Å; R12-H14 PolarHBondContact O-N 3.46Å; H14-W17 PolarHBondContact O-N 3.43Å; H14-L18 WeakPolarHBondContact O-CB 3.38Å; H14-L18 PolarHBondContact O-N 3.46Å
15	K	53.1	Low	53.2	Low	148 Å²	148	117.3 Å²	117.3	64%	0.643	54%	0.537	S	S	*	.	H	α-helix	trans	-64.5	-42.2	171.9	-77.8	-175.1	179.4	-172.8	0	112.3	S11 R12 W17 L18 Q19	S11-K15 WeakPolarHBondContact O-CB 3.3Å; S11-K15 WeakPolarHBondContact O-CG 3.49Å; S11-K15 PolarHBondContact O-N 3.31Å; R12-K15 PolarHBondContact O-N 2.95Å; K15-W17 VanDerWaalsContact C-N 3.31Å; K15-W17 PolarHBondContact O-N 3.37Å; K15-L18 PolarHBondContact O-N 3.47Å; K15-Q19 WeakPolarHBondContact O-CB 3.47Å; K15-Q19 PolarHBondContact O-N 2.91Å
16	G	60.8	Low	53.1	Low	34 Å²	34	114.4 Å²	114.4	35%	0.351	53%	0.53	S	S	.	.	H	α-helix	trans	-63.1	-37.6	176.7	0	0	0	0	0	112.8	R12 R13 Q19 R20	R12-G16 PolarHBondContact O-N 3Å; R13-G16 PolarHBondContact O-N 3.04Å; G16-Q19 PolarHBondContact O-N 3.26Å; G16-R20 WeakPolarHBondContact O-CG 3.43Å; G16-R20 PolarHBondContact O-N 2.96Å
17	W	57	Low	53	Low	167 Å²	167	112.3 Å²	112.3	63%	0.633	52%	0.523	S	S	*	.	H	α-helix	trans	-67.8	-46.2	176	-142.3	83	0	0	0	111.8	R13 H14 K15 Q19 R20 Y21	R13-W17 PolarHBondContact O-N 3.44Å; H14-W17 PolarHBondContact O-N 3.43Å; K15-W17 VanDerWaalsContact C-N 3.31Å; K15-W17 PolarHBondContact O-N 3.37Å; W17-Q19 VanDerWaalsContact C-N 3.31Å; W17-Q19 PolarHBondContact O-N 3.39Å; W17-R20 PolarHBondContact O-N 3.01Å; W17-Y21 HydrophobicContact CZ3-CD2 4.45Å; W17-Y21 VanDerWaalsContact O-CB 3.32Å; W17-Y21 WeakPolarHBondContact O-CB 3.44Å; W17-Y21 PolarHBondContact O-N 2.94Å
18	L	49.1	Very low	53.4	Low	95 Å²	95	112.1 Å²	112.1	50%	0.497	54%	0.535	S	S	.	.	H	α-helix	trans	-59	-40.2	173.4	-85.2	159.2	0	0	0	112.2	H14 K15 Y21 Y22	H14-L18 WeakPolarHBondContact O-CB 3.38Å; H14-L18 PolarHBondContact O-N 3.46Å; K15-L18 PolarHBondContact O-N 3.47Å; L18-Y21 PolarHBondContact O-N 3.1Å; L18-Y22 WeakPolarHBondContact O-CB 3.32Å; L18-Y22 PolarHBondContact O-N 3.31Å
19	Q	59.8	Low	53.4	Low	114 Å²	114	112.2 Å²	112.2	53%	0.533	55%	0.545	S	S	.	.	H	α-helix	trans	-69.5	-42.7	179.5	-164.5	68	42	0	0	112.3	K15 G16 W17 Y21 Y22 N23	K15-Q19 WeakPolarHBondContact O-CB 3.47Å; K15-Q19 PolarHBondContact O-N 2.91Å; G16-Q19 PolarHBondContact O-N 3.26Å; W17-Q19 VanDerWaalsContact C-N 3.31Å; W17-Q19 PolarHBondContact O-N 3.39Å; Q19-Y21 VanDerWaalsContact C-N 3.27Å; Q19-Y21 PolarHBondContact O-N 3.31Å; Q19-Y22 PolarHBondContact O-N 2.88Å; Q19-N23 VanDerWaalsContact O-CG 3.3Å; Q19-N23 PolarHBondContact O-N 2.85Å; Q19-N23 PolarHBondContact O-OD1 2.94Å
20	R	55.4	Low	52.5	Low	199 Å²	199	112.7 Å²	112.7	75%	0.751	55%	0.549	S	S	*	.	H	α-helix	trans	-61.4	-40	174.1	-77.6	179.9	-179.4	-120.9	-0	111.5	G16 W17 C24	G16-R20 WeakPolarHBondContact O-CG 3.43Å; G16-R20 PolarHBondContact O-N 2.96Å; W17-R20 PolarHBondContact O-N 3.01Å; R20-C24 WeakPolarHBondContact O-CB 3.3Å; R20-C24 PolarHBondContact O-N 3.33Å
21	Y	54.4	Low	52.5	Low	78 Å²	78	111 Å²	111	31%	0.306	55%	0.552	S	S	.	*	H	α-helix	trans	-66.9	-41.9	177.4	-166.4	-86.6	0	0	0	111.8	W17 L18 Q19 C24 A25 I41	W17-Y21 HydrophobicContact CZ3-CD2 4.45Å; W17-Y21 VanDerWaalsContact O-CB 3.32Å; W17-Y21 WeakPolarHBondContact O-CB 3.44Å; W17-Y21 PolarHBondContact O-N 2.94Å; L18-Y21 PolarHBondContact O-N 3.1Å; Q19-Y21 VanDerWaalsContact C-N 3.27Å; Q19-Y21 PolarHBondContact O-N 3.31Å; Y21-C24 PolarHBondContact O-N 3.43Å; Y21-A25 VanDerWaalsContact O-CB 3.3Å; Y21-A25 WeakPolarHBondContact O-CB 3.11Å; Y21-A25 PolarHBondContact O-N 2.99Å; Y21-I41 HydrophobicContact CE2-CG2 3.65Å; Y21-I41 VanDerWaalsContact CZ-CG2 3.5Å; Y21-I41 WeakPolarHBondContact OH-CB 3.39Å; Y21-I41 WeakPolarHBondContact OH-CD1 3.48Å; Y21-I41 WeakPolarHBondContact OH-CG2 3.13Å
22	Y	48.7	Very low	52.3	Low	141 Å²	141	115 Å²	115	55%	0.553	57%	0.566	S	S	*	*	H	α-helix	trans	-64.7	-42.6	176.3	-129.9	-85.2	0	0	0	112.1	L18 Q19 A25 F26	L18-Y22 WeakPolarHBondContact O-CB 3.32Å; L18-Y22 PolarHBondContact O-N 3.31Å; Q19-Y22 PolarHBondContact O-N 2.88Å; Y22-A25 PolarHBondContact O-N 3.4Å; Y22-F26 AromaticContact CD1-CD2 3.57Å; Y22-F26 HydrophobicContact CD1-CD2 3.57Å; Y22-F26 HydrophobicContact CD1-CE2 4.04Å; Y22-F26 HydrophobicContact CD1-CG 4.39Å; Y22-F26 AromaticContact CE1-CD2 3.44Å; Y22-F26 HydrophobicContact CE1-CD2 3.44Å; Y22-F26 VanDerWaalsContact CE1-CD2 3.44Å; Y22-F26 AromaticContact CE1-CE2 3.43Å; Y22-F26 HydrophobicContact CE1-CE2 3.43Å; Y22-F26 VanDerWaalsContact CE1-CE2 3.43Å; Y22-F26 HydrophobicContact CE1-CG 4.34Å; Y22-F26 HydrophobicContact CE1-CZ 4.34Å; Y22-F26 AromaticContact CZ-CE2 3.89Å; Y22-F26 WeakPolarHBondContact O-CB 3.23Å; Y22-F26 PolarHBondContact O-N 2.93Å
23	N	56.5	Low	52	Low	87 Å²	87	111.9 Å²	111.9	47%	0.465	58%	0.577	S	S	.	*	H	α-helix	trans	-62.6	-46.5	176.6	-69.3	-4.7	0	0	0	110.6	Q19 A25 F26 D27	Q19-N23 VanDerWaalsContact O-CG 3.3Å; Q19-N23 PolarHBondContact O-N 2.85Å; Q19-N23 PolarHBondContact O-OD1 2.94Å; N23-A25 VanDerWaalsContact C-N 3.29Å; N23-A25 PolarHBondContact O-N 3.01Å; N23-F26 PolarHBondContact O-N 3.46Å; N23-D27 PolarHBondContact O-N 3.45Å; N23-D27 VanDerWaalsContact O-N 3.09Å
24	C	47.3	Very low	51.9	Low	97 Å²	97	107.3 Å²	107.3	66%	0.655	57%	0.574	S	S	*	*	H	α-helix	trans	-64.4	-31.4	178.2	-170.3	0	0	0	0	113.3	R20 Y21	R20-C24 WeakPolarHBondContact O-CB 3.3Å; R20-C24 PolarHBondContact O-N 3.33Å; Y21-C24 PolarHBondContact O-N 3.43Å
25	A	47.9	Very low	51.4	Low	51 Å²	51	110 Å²	110	42%	0.421	58%	0.581	S	S	.	*	H	α-helix	trans	-82.6	-22.7	179.4	0	0	0	0	0	114.1	Y21 Y22 N23	Y21-A25 VanDerWaalsContact O-CB 3.3Å; Y21-A25 WeakPolarHBondContact O-CB 3.11Å; Y21-A25 PolarHBondContact O-N 2.99Å; Y22-A25 PolarHBondContact O-N 3.4Å; N23-A25 VanDerWaalsContact C-N 3.29Å; N23-A25 PolarHBondContact O-N 3.01Å
26	F	49	Very low	51	Low	140 Å²	140	107.3 Å²	107.3	61%	0.614	58%	0.579	S	S	*	*	H	α-helix	trans	-117.3	14.4	-175.1	-86.2	-85.2	0	0	0	114.3	Y22 N23 P28	Y22-F26 AromaticContact CD1-CD2 3.57Å; Y22-F26 HydrophobicContact CD1-CD2 3.57Å; Y22-F26 HydrophobicContact CD1-CE2 4.04Å; Y22-F26 HydrophobicContact CD1-CG 4.39Å; Y22-F26 AromaticContact CE1-CD2 3.44Å; Y22-F26 HydrophobicContact CE1-CD2 3.44Å; Y22-F26 VanDerWaalsContact CE1-CD2 3.44Å; Y22-F26 AromaticContact CE1-CE2 3.43Å; Y22-F26 HydrophobicContact CE1-CE2 3.43Å; Y22-F26 VanDerWaalsContact CE1-CE2 3.43Å; Y22-F26 HydrophobicContact CE1-CG 4.34Å; Y22-F26 HydrophobicContact CE1-CZ 4.34Å; Y22-F26 AromaticContact CZ-CE2 3.89Å; Y22-F26 WeakPolarHBondContact O-CB 3.23Å; Y22-F26 PolarHBondContact O-N 2.93Å; N23-F26 PolarHBondContact O-N 3.46Å; F26-P28 WeakPolarHBondContact O-CD 3.5Å; F26-P28 VanDerWaalsContact O-N 3.13Å
27	D	47.9	Very low	50.4	Low	92 Å²	92	109.1 Å²	109.1	49%	0.492	59%	0.59	S	S	.	*			trans	-62.2	113.5	171.3	-82.1	-40.1	0	0	0	109.7	N23 I29 A30	N23-D27 PolarHBondContact O-N 3.45Å; N23-D27 VanDerWaalsContact O-N 3.09Å; D27-I29 PolarHBondContact O-N 3.24Å; D27-A30 PolarHBondContact O-N 2.96Å
28	P	54	Low	49.9	Very low	127 Å²	127	107.1 Å²	107.1	83%	0.825	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-11.5	-170.7	-20.1	32.3	0	0	0	114.4	F26	F26-P28 WeakPolarHBondContact O-CD 3.5Å; F26-P28 VanDerWaalsContact O-N 3.13Å
29	I	56.9	Low	49.9	Very low	163 Å²	163	111.4 Å²	111.4	84%	0.836	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-14.1	-174	-50.6	176.1	0	0	0	111	D27 G31	D27-I29 PolarHBondContact O-N 3.24Å; I29-G31 PolarHBondContact O-N 2.62Å
30	A	43.6	Very low	49.3	Very low	46 Å²	46	111.6 Å²	111.6	38%	0.38	60%	0.603	S	S	.	*	S	Bend	trans	-76.1	98.2	177.6	0	0	0	0	0	109.9	D27	D27-A30 PolarHBondContact O-N 2.96Å
31	G	48.5	Very low	48.9	Very low	50 Å²	50	103.7 Å²	103.7	52%	0.515	58%	0.575	S	S	.	*			trans	-50.6	148.9	172.3	0	0	0	0	0	112.2	I29 A33 S34	I29-G31 PolarHBondContact O-N 2.62Å; G31-A33 PolarHBondContact O-N 3.29Å; G31-S34 PolarHBondContact O-N 2.79Å
32	E	47.4	Very low	48.4	Very low	138 Å²	138	107.9 Å²	107.9	65%	0.645	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-49.2	-24.8	-169.6	-149.7	72.4	-142	0	0	114.4	S34 R35	E32-S34 VanDerWaalsContact C-N 3.26Å; E32-S34 PolarHBondContact O-N 3.26Å; E32-R35 PolarHBondContact O-N 2.77Å; E32-R35 VanDerWaalsContact OE1-CD 3.3Å; E32-R35 WeakPolarHBondContact OE1-CD 3.5Å; E32-R35 IonicContact OE1-CZ 3.7Å; E32-R35 IonicContact OE1-NE 3.55Å; E32-R35 IonicContact OE1-NH1 3.38Å; E32-R35 PolarHBondContact OE1-NH1 3.07Å; E32-R35 IonicContact OE2-CZ 3.38Å; E32-R35 IonicContact OE2-NH1 2.96Å; E32-R35 PolarHBondContact OE2-NH1 3.05Å
33	A	49.6	Very low	48.5	Very low	107 Å²	107	106.9 Å²	106.9	88%	0.884	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-66.4	-19.8	179.7	0	0	0	0	0	114.7	G31	G31-A33 PolarHBondContact O-N 3.29Å
34	S	47.4	Very low	48.1	Very low	97 Å²	97	106.9 Å²	106.9	68%	0.678	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-101.7	7.9	-179.7	-61.6	0	0	0	0	113.8	G31 E32 P36	G31-S34 PolarHBondContact O-N 2.79Å; E32-S34 VanDerWaalsContact C-N 3.26Å; E32-S34 PolarHBondContact O-N 3.26Å; S34-P36 WeakPolarHBondContact O-CD 3.47Å
35	R	44.8	Very low	48.2	Very low	140 Å²	140	105 Å²	105	53%	0.528	58%	0.577	S	S	.	*			trans	-82.5	105.7	177.3	-70.6	179.7	177.1	-172.2	-4.1	109.5	E32 A37	E32-R35 PolarHBondContact O-N 2.77Å; E32-R35 VanDerWaalsContact OE1-CD 3.3Å; E32-R35 WeakPolarHBondContact OE1-CD 3.5Å; E32-R35 IonicContact OE1-CZ 3.7Å; E32-R35 IonicContact OE1-NE 3.55Å; E32-R35 IonicContact OE1-NH1 3.38Å; E32-R35 PolarHBondContact OE1-NH1 3.07Å; E32-R35 IonicContact OE2-CZ 3.38Å; E32-R35 IonicContact OE2-NH1 2.96Å; E32-R35 PolarHBondContact OE2-NH1 3.05Å; R35-A37 PolarHBondContact O-N 3.35Å
36	P	45.7	Very low	48.3	Very low	91 Å²	91	104.3 Å²	104.3	59%	0.591	57%	0.569	S	S	*	*			trans	-61.6	135.2	176	27.2	-34.9	0	0	0	109.2	S34 H38 I41	S34-P36 WeakPolarHBondContact O-CD 3.47Å; P36-H38 PolarHBondContact O-N 2.96Å; P36-I41 HydrophobicContact CB-CD1 3.78Å; P36-I41 HydrophobicContact CG-CD1 3.52Å
37	A	47.2	Very low	48.3	Very low	71 Å²	71	99.8 Å²	99.8	59%	0.587	56%	0.555	S	S	*	*			trans	-46.8	113.6	-175.8	0	0	0	0	0	110.2	R35 Y39 D40	R35-A37 PolarHBondContact O-N 3.35Å; A37-Y39 PolarHBondContact O-N 3.35Å; A37-D40 PolarHBondContact O-N 3.07Å
38	H	47.9	Very low	48.4	Very low	125 Å²	125	99.6 Å²	99.6	58%	0.579	55%	0.551	S	S	*	*	H	α-helix	trans	-59.6	-8.2	-170.1	-169.9	-107.3	0	0	0	114.1	P36 R42	P36-H38 PolarHBondContact O-N 2.96Å; H38-R42 PolarHBondContact CE1-NH2 2.99Å; H38-R42 VanDerWaalsContact CE1-NH2 3.26Å
39	Y	47.8	Very low	48.3	Very low	186 Å²	186	97.4 Å²	97.4	73%	0.729	53%	0.532	S	S	*	.	H	α-helix	trans	-82	-40.6	-179.5	-138	-95.8	0	0	0	113.4	A37	A37-Y39 PolarHBondContact O-N 3.35Å
40	D	48.5	Very low	48	Very low	117 Å²	117	97.1 Å²	97.1	63%	0.626	52%	0.52	S	S	*	.	H	α-helix	trans	-76.1	-34.5	-174.3	-89.3	-34.8	0	0	0	112.9	A37 R42 H43 T44	A37-D40 PolarHBondContact O-N 3.07Å; D40-R42 VanDerWaalsContact C-N 3.3Å; D40-R42 PolarHBondContact O-N 2.89Å; D40-H43 WeakPolarHBondContact O-CA 3.44Å; D40-H43 WeakPolarHBondContact O-CB 3.42Å; D40-H43 PolarHBondContact O-N 3.15Å; D40-T44 PolarHBondContact O-N 3.33Å; D40-T44 PolarHBondContact O-OG1 2.97Å
41	I	46.7	Very low	48.5	Very low	34 Å²	34	100.9 Å²	100.9	17%	0.174	53%	0.528	C	S	.	.	H	α-helix	trans	-72.7	-30	-175.4	-48.5	159.2	0	0	0	111.3	Y21 P36 H43 T44 I45	Y21-I41 HydrophobicContact CE2-CG2 3.65Å; Y21-I41 VanDerWaalsContact CZ-CG2 3.5Å; Y21-I41 WeakPolarHBondContact OH-CB 3.39Å; Y21-I41 WeakPolarHBondContact OH-CD1 3.48Å; Y21-I41 WeakPolarHBondContact OH-CG2 3.13Å; P36-I41 HydrophobicContact CB-CD1 3.78Å; P36-I41 HydrophobicContact CG-CD1 3.52Å; I41-H43 VanDerWaalsContact C-N 3.26Å; I41-H43 PolarHBondContact O-N 3.41Å; I41-T44 PolarHBondContact O-N 3.47Å; I41-I45 HydrophobicContact CG2-CD1 3.85Å; I41-I45 HydrophobicContact CG2-CG1 4.23Å; I41-I45 WeakPolarHBondContact O-CB 3.47Å; I41-I45 VanDerWaalsContact O-CG1 3.3Å; I41-I45 WeakPolarHBondContact O-CG1 3.44Å; I41-I45 PolarHBondContact O-N 3.47Å
42	R	43.8	Very low	48.8	Very low	165 Å²	165	102.4 Å²	102.4	62%	0.623	52%	0.524	S	S	*	.	H	α-helix	trans	-62.7	-36.8	170.1	-78.9	-179	168.6	174.1	-4.9	111.2	H38 D40 S46	H38-R42 PolarHBondContact CE1-NH2 2.99Å; H38-R42 VanDerWaalsContact CE1-NH2 3.26Å; D40-R42 VanDerWaalsContact C-N 3.3Å; D40-R42 PolarHBondContact O-N 2.89Å; R42-S46 WeakPolarHBondContact O-CB 3.21Å; R42-S46 PolarHBondContact O-N 3.31Å
43	H	50.2	Low	49	Very low	121 Å²	121	98.4 Å²	98.4	56%	0.56	52%	0.515	S	S	*	.	H	α-helix	trans	-71.8	-40.7	179.2	-118.6	-71.6	0	0	0	112.2	D40 I41 S46 S47	D40-H43 WeakPolarHBondContact O-CA 3.44Å; D40-H43 WeakPolarHBondContact O-CB 3.42Å; D40-H43 PolarHBondContact O-N 3.15Å; I41-H43 VanDerWaalsContact C-N 3.26Å; I41-H43 PolarHBondContact O-N 3.41Å; H43-S46 PolarHBondContact O-N 2.92Å; H43-S47 PolarHBondContact O-N 3.02Å
44	T	48.8	Very low	49.1	Very low	86 Å²	86	97.9 Å²	97.9	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-69.3	-43.1	178.5	-22.3	0	0	0	0	112.2	D40 I41 S46 S47 E48	D40-T44 PolarHBondContact O-N 3.33Å; D40-T44 PolarHBondContact O-OG1 2.97Å; I41-T44 PolarHBondContact O-N 3.47Å; T44-S46 VanDerWaalsContact C-N 3.28Å; T44-S46 PolarHBondContact O-N 3.31Å; T44-S47 PolarHBondContact O-N 3.09Å; T44-S47 PolarHBondContact O-OG 3.23Å; T44-E48 PolarHBondContact O-N 2.95Å; T44-E48 VanDerWaalsContact O-N 3.1Å
45	I	48.3	Very low	49.5	Very low	59 Å²	59	96.9 Å²	96.9	30%	0.303	49%	0.49	S	S	.	.	H	α-helix	trans	-64.3	-38.1	174.4	-65.9	173.5	0	0	0	109.9	I41 L49	I41-I45 HydrophobicContact CG2-CD1 3.85Å; I41-I45 HydrophobicContact CG2-CG1 4.23Å; I41-I45 WeakPolarHBondContact O-CB 3.47Å; I41-I45 VanDerWaalsContact O-CG1 3.3Å; I41-I45 WeakPolarHBondContact O-CG1 3.44Å; I41-I45 PolarHBondContact O-N 3.47Å; I45-L49 HydrophobicContact CG2-CD1 3.72Å; I45-L49 HydrophobicContact CG2-CG 4.2Å; I45-L49 VanDerWaalsContact O-CB 3.3Å; I45-L49 WeakPolarHBondContact O-CB 3.5Å; I45-L49 VanDerWaalsContact O-CG 3.23Å; I45-L49 WeakPolarHBondContact O-CG 3.27Å; I45-L49 PolarHBondContact O-N 3.16Å
46	S	51.1	Low	50	Low	35 Å²	35	94.7 Å²	94.7	25%	0.245	49%	0.486	C	S	.	.	H	α-helix	trans	-69	-35.6	177.1	-166.1	0	0	0	0	113	R42 H43 T44 R50	R42-S46 WeakPolarHBondContact O-CB 3.21Å; R42-S46 PolarHBondContact O-N 3.31Å; H43-S46 PolarHBondContact O-N 2.92Å; T44-S46 VanDerWaalsContact C-N 3.28Å; T44-S46 PolarHBondContact O-N 3.31Å; S46-R50 WeakPolarHBondContact O-CB 3.34Å; S46-R50 WeakPolarHBondContact O-CD 3.31Å; S46-R50 WeakPolarHBondContact O-CG 3.34Å; S46-R50 PolarHBondContact O-N 2.93Å; S46-R50 VanDerWaalsContact O-N 3.07Å; S46-R50 PolarHBondContact O-NE 3.11Å; S46-R50 VanDerWaalsContact OG-CZ 3.3Å; S46-R50 PolarHBondContact OG-NE 3.49Å; S46-R50 PolarHBondContact OG-NH2 3.01Å
47	S	48.9	Very low	50	Low	46 Å²	46	93.2 Å²	93.2	32%	0.322	48%	0.481	S	S	.	.	H	α-helix	trans	-68.7	-41.1	176.8	64.4	0	0	0	0	111.5	H43 T44 R50 K51	H43-S47 PolarHBondContact O-N 3.02Å; T44-S47 PolarHBondContact O-N 3.09Å; T44-S47 PolarHBondContact O-OG 3.23Å; S47-R50 PolarHBondContact O-N 3.27Å; S47-K51 WeakPolarHBondContact O-CG 3.41Å; S47-K51 PolarHBondContact O-N 3.43Å
48	E	48.6	Very low	50.4	Low	88 Å²	88	93.8 Å²	93.8	41%	0.411	48%	0.477	S	S	.	.	H	α-helix	trans	-74.8	-36.6	179.5	-76.3	-51.4	142.6	0	0	113.2	T44 R50 K51 L52	T44-E48 PolarHBondContact O-N 2.95Å; T44-E48 VanDerWaalsContact O-N 3.1Å; E48-R50 VanDerWaalsContact C-N 3.25Å; E48-R50 PolarHBondContact O-N 3.46Å; E48-K51 PolarHBondContact O-N 2.93Å; E48-K51 WeakPolarHBondContact OE1-CD 3.44Å; E48-K51 IonicContact OE1-NZ 3.66Å; E48-K51 PolarHBondContact OE1-NZ 3.09Å; E48-L52 WeakPolarHBondContact O-CB 3.48Å; E48-L52 WeakPolarHBondContact O-CG 3.46Å; E48-L52 PolarHBondContact O-N 2.74Å
49	L	52.1	Low	50.8	Low	80 Å²	80	94.9 Å²	94.9	42%	0.419	48%	0.48	S	S	.	.	H	α-helix	trans	-62.3	-34.1	170.4	-73.9	175.3	0	0	0	112.1	I45 A53	I45-L49 HydrophobicContact CG2-CD1 3.72Å; I45-L49 HydrophobicContact CG2-CG 4.2Å; I45-L49 VanDerWaalsContact O-CB 3.3Å; I45-L49 WeakPolarHBondContact O-CB 3.5Å; I45-L49 VanDerWaalsContact O-CG 3.23Å; I45-L49 WeakPolarHBondContact O-CG 3.27Å; I45-L49 PolarHBondContact O-N 3.16Å; L49-A53 WeakPolarHBondContact O-CB 3.41Å; L49-A53 PolarHBondContact O-N 2.88Å
50	R	50.9	Low	50.8	Low	158 Å²	158	88.6 Å²	88.6	60%	0.596	47%	0.467	S	S	*	.	H	α-helix	trans	-68.1	-43.6	174.8	-76	171.7	-140.9	-123.9	10.2	111.9	S46 S47 E48 A53 V54	S46-R50 WeakPolarHBondContact O-CB 3.34Å; S46-R50 WeakPolarHBondContact O-CD 3.31Å; S46-R50 WeakPolarHBondContact O-CG 3.34Å; S46-R50 PolarHBondContact O-N 2.93Å; S46-R50 VanDerWaalsContact O-N 3.07Å; S46-R50 PolarHBondContact O-NE 3.11Å; S46-R50 VanDerWaalsContact OG-CZ 3.3Å; S46-R50 PolarHBondContact OG-NE 3.49Å; S46-R50 PolarHBondContact OG-NH2 3.01Å; S47-R50 PolarHBondContact O-N 3.27Å; E48-R50 VanDerWaalsContact C-N 3.25Å; E48-R50 PolarHBondContact O-N 3.46Å; R50-A53 PolarHBondContact O-N 3.27Å; R50-V54 VanDerWaalsContact O-CG2 3.27Å; R50-V54 WeakPolarHBondContact O-CG2 3.41Å; R50-V54 PolarHBondContact O-N 3.15Å
51	K	55.2	Low	50.8	Low	124 Å²	124	89.4 Å²	89.4	54%	0.539	47%	0.471	S	S	.	.	H	α-helix	trans	-63	-42.9	177	-69.8	179.7	-166.1	165.4	0	111.5	S47 E48 V54 T55	S47-K51 WeakPolarHBondContact O-CG 3.41Å; S47-K51 PolarHBondContact O-N 3.43Å; E48-K51 PolarHBondContact O-N 2.93Å; E48-K51 WeakPolarHBondContact OE1-CD 3.44Å; E48-K51 IonicContact OE1-NZ 3.66Å; E48-K51 PolarHBondContact OE1-NZ 3.09Å; K51-V54 PolarHBondContact O-N 2.82Å; K51-T55 PolarHBondContact O-N 3.39Å; K51-T55 VanDerWaalsContact O-N 3.11Å; K51-T55 PolarHBondContact O-OG1 2.79Å
52	L	54.8	Low	50.9	Low	82 Å²	82	90.7 Å²	90.7	43%	0.429	49%	0.487	S	S	.	.	H	α-helix	trans	-65.8	-43.4	177.3	-73.4	167	0	0	0	112.2	E48 V54 T55 E56	E48-L52 WeakPolarHBondContact O-CB 3.48Å; E48-L52 WeakPolarHBondContact O-CG 3.46Å; E48-L52 PolarHBondContact O-N 2.74Å; L52-V54 PolarHBondContact O-N 2.88Å; L52-T55 PolarHBondContact O-N 3.41Å; L52-E56 PolarHBondContact O-N 3.45Å
53	A	51.6	Low	51.1	Low	55 Å²	55	88.8 Å²	88.8	46%	0.455	49%	0.485	S	S	.	.	H	α-helix	trans	-65.2	-37.5	178.2	0	0	0	0	0	112.9	L49 R50 A57	L49-A53 WeakPolarHBondContact O-CB 3.41Å; L49-A53 PolarHBondContact O-N 2.88Å; R50-A53 PolarHBondContact O-N 3.27Å; A53-A57 WeakPolarHBondContact O-CB 3.05Å; A53-A57 PolarHBondContact O-N 3.19Å
54	V	51.6	Low	50.5	Low	95 Å²	95	89.7 Å²	89.7	58%	0.576	49%	0.487	S	S	*	.	H	α-helix	trans	-65.4	-43	175.4	172.5	0	0	0	0	110.4	R50 K51 L52 A57 T58	R50-V54 VanDerWaalsContact O-CG2 3.27Å; R50-V54 WeakPolarHBondContact O-CG2 3.41Å; R50-V54 PolarHBondContact O-N 3.15Å; K51-V54 PolarHBondContact O-N 2.82Å; L52-V54 PolarHBondContact O-N 2.88Å; V54-A57 PolarHBondContact O-N 2.88Å; V54-T58 PolarHBondContact O-N 3.19Å; V54-T58 PolarHBondContact O-OG1 3.11Å
55	T	56.1	Low	50.3	Low	77 Å²	77	93.8 Å²	93.8	47%	0.472	49%	0.493	S	S	.	.	H	α-helix	trans	-66.9	-41.4	-179.5	-46.2	0	0	0	0	111.8	K51 L52 T58 K59	K51-T55 PolarHBondContact O-N 3.39Å; K51-T55 VanDerWaalsContact O-N 3.11Å; K51-T55 PolarHBondContact O-OG1 2.79Å; L52-T55 PolarHBondContact O-N 3.41Å; T55-T58 WeakPolarHBondContact CA-OG1 3.36Å; T55-T58 PolarHBondContact O-N 3.37Å; T55-T58 PolarHBondContact O-OG1 3.5Å; T55-K59 PolarHBondContact O-N 3.09Å
56	E	54.6	Low	50	Low	93 Å²	93	96 Å²	96	44%	0.435	51%	0.514	S	S	.	.	H	α-helix	trans	-67.5	-39	174.1	-77.5	-176	162.3	0	0	112.1	L52 T58 K59 A60	L52-E56 PolarHBondContact O-N 3.45Å; E56-T58 VanDerWaalsContact C-N 3.34Å; E56-T58 PolarHBondContact O-N 2.95Å; E56-K59 PolarHBondContact O-N 2.92Å; E56-A60 WeakPolarHBondContact O-CB 3.29Å; E56-A60 PolarHBondContact O-N 2.78Å
57	A	46.3	Very low	49.6	Very low	60 Å²	60	98.7 Å²	98.7	50%	0.496	53%	0.533	S	S	.	.	H	α-helix	trans	-64.7	-38.4	175.9	0	0	0	0	0	111.9	A53 V54 L61	A53-A57 WeakPolarHBondContact O-CB 3.05Å; A53-A57 PolarHBondContact O-N 3.19Å; V54-A57 PolarHBondContact O-N 2.88Å; A57-L61 WeakPolarHBondContact O-CB 3.2Å; A57-L61 PolarHBondContact O-N 3.29Å
58	T	54.5	Low	49.2	Very low	83 Å²	83	101 Å²	101	51%	0.509	55%	0.545	S	S	.	.	H	α-helix	trans	-69.2	-37.2	174.4	46	0	0	0	0	112.6	V54 T55 E56 L61 A62	V54-T58 PolarHBondContact O-N 3.19Å; V54-T58 PolarHBondContact O-OG1 3.11Å; T55-T58 WeakPolarHBondContact CA-OG1 3.36Å; T55-T58 PolarHBondContact O-N 3.37Å; T55-T58 PolarHBondContact O-OG1 3.5Å; E56-T58 VanDerWaalsContact C-N 3.34Å; E56-T58 PolarHBondContact O-N 2.95Å; T58-L61 PolarHBondContact O-N 3.45Å; T58-A62 PolarHBondContact O-N 3.23Å
59	K	57.7	Low	48.4	Very low	148 Å²	148	101.1 Å²	101.1	64%	0.643	56%	0.561	S	S	*	*	H	α-helix	trans	-67.2	-41.8	174	-88.4	-174.9	174.2	-177.8	0	112.2	T55 E56 L61 A62 E63	T55-K59 PolarHBondContact O-N 3.09Å; E56-K59 PolarHBondContact O-N 2.92Å; K59-L61 VanDerWaalsContact C-N 3.29Å; K59-L61 PolarHBondContact O-N 2.81Å; K59-A62 WeakPolarHBondContact O-CB 3.37Å; K59-A62 PolarHBondContact O-N 3.46Å; K59-A62 VanDerWaalsContact O-N 3.17Å; K59-E63 PolarHBondContact O-N 3.21Å
60	A	46.2	Very low	47.4	Very low	55 Å²	55	105.4 Å²	105.4	46%	0.455	58%	0.576	S	S	.	*	H	α-helix	trans	-63.5	-36.7	175.6	0	0	0	0	0	111.7	E56 E63 F64	E56-A60 WeakPolarHBondContact O-CB 3.29Å; E56-A60 PolarHBondContact O-N 2.78Å; A60-E63 PolarHBondContact O-N 3.01Å; A60-F64 VanDerWaalsContact O-CB 3.31Å; A60-F64 WeakPolarHBondContact O-CB 3.45Å; A60-F64 PolarHBondContact O-N 2.84Å
61	L	49.5	Very low	46.6	Very low	134 Å²	134	105.5 Å²	105.5	70%	0.702	58%	0.583	S	S	*	*	H	α-helix	trans	-66.6	-38.1	174	-149.3	80.7	0	0	0	111.9	A57 T58 K59 F64 R65	A57-L61 WeakPolarHBondContact O-CB 3.2Å; A57-L61 PolarHBondContact O-N 3.29Å; T58-L61 PolarHBondContact O-N 3.45Å; K59-L61 VanDerWaalsContact C-N 3.29Å; K59-L61 PolarHBondContact O-N 2.81Å; L61-F64 PolarHBondContact O-N 3.02Å; L61-R65 PolarHBondContact O-N 2.94Å; L61-R65 VanDerWaalsContact O-N 3.08Å
62	A	48.4	Very low	45.3	Very low	61 Å²	61	101.1 Å²	101.1	50%	0.504	57%	0.574	S	S	.	*	H	α-helix	trans	-67.9	-39.7	175.1	0	0	0	0	0	112.4	T58 K59 R65 S66	T58-A62 PolarHBondContact O-N 3.23Å; K59-A62 WeakPolarHBondContact O-CB 3.37Å; K59-A62 PolarHBondContact O-N 3.46Å; K59-A62 VanDerWaalsContact O-N 3.17Å; A62-R65 WeakPolarHBondContact O-CB 3.34Å; A62-R65 PolarHBondContact O-N 2.94Å; A62-S66 PolarHBondContact O-N 3.48Å
63	E	47.5	Very low	44.2	Very low	124 Å²	124	102 Å²	102	58%	0.579	59%	0.593	S	S	*	*	H	α-helix	trans	-71.3	-33.3	174.7	-77.8	-177.1	160.8	0	0	112.6	K59 A60 R65 S66 S67	K59-E63 PolarHBondContact O-N 3.21Å; A60-E63 PolarHBondContact O-N 3.01Å; E63-R65 VanDerWaalsContact C-N 3.28Å; E63-R65 PolarHBondContact O-N 3.4Å; E63-S66 PolarHBondContact O-N 3.33Å; E63-S66 VanDerWaalsContact O-N 3.14Å; E63-S67 PolarHBondContact O-N 2.91Å; E63-S67 PolarHBondContact O-OG 3.37Å; E63-S67 VanDerWaalsContact O-OG 3.07Å
64	F	38.8	Very low	43.6	Very low	141 Å²	141	107.5 Å²	107.5	62%	0.618	61%	0.606	S	S	*	*	H	α-helix	trans	-65.3	-35.8	173.6	-154.4	-97.5	0	0	0	111	A60 L61 S66 S67 T68	A60-F64 VanDerWaalsContact O-CB 3.31Å; A60-F64 WeakPolarHBondContact O-CB 3.45Å; A60-F64 PolarHBondContact O-N 2.84Å; L61-F64 PolarHBondContact O-N 3.02Å; F64-S66 PolarHBondContact O-N 3.24Å; F64-S67 PolarHBondContact O-N 3.39Å; F64-S67 VanDerWaalsContact O-N 3.1Å; F64-T68 HydrophobicContact CD1-CG2 3.95Å; F64-T68 HydrophobicContact CE1-CG2 3.53Å; F64-T68 HydrophobicContact CZ-CG2 4.01Å; F64-T68 PolarHBondContact O-N 3.4Å
65	R	43	Very low	42.8	Very low	171 Å²	171	111.2 Å²	111.2	65%	0.645	61%	0.611	S	S	*	*	H	α-helix	trans	-64.6	-22.9	173.2	-170.1	158.9	175.2	135.2	-5.1	113.5	L61 A62 E63	L61-R65 PolarHBondContact O-N 2.94Å; L61-R65 VanDerWaalsContact O-N 3.08Å; A62-R65 WeakPolarHBondContact O-CB 3.34Å; A62-R65 PolarHBondContact O-N 2.94Å; E63-R65 VanDerWaalsContact C-N 3.28Å; E63-R65 PolarHBondContact O-N 3.4Å
66	S	43.1	Very low	41.6	Very low	105 Å²	105	111.9 Å²	111.9	73%	0.734	61%	0.612	S	S	*	*	H	α-helix	trans	-91.4	-8.5	173.1	-60.4	0	0	0	0	114.4	A62 E63 F64	A62-S66 PolarHBondContact O-N 3.48Å; E63-S66 PolarHBondContact O-N 3.33Å; E63-S66 VanDerWaalsContact O-N 3.14Å; F64-S66 PolarHBondContact O-N 3.24Å
67	S	41.5	Very low	40.8	Very low	92 Å²	92	113.5 Å²	113.5	64%	0.643	62%	0.622	S	S	*	*	H	α-helix	trans	-111.8	-9.9	-171.4	-57.9	0	0	0	0	115.3	E63 F64 A69	E63-S67 PolarHBondContact O-N 2.91Å; E63-S67 PolarHBondContact O-OG 3.37Å; E63-S67 VanDerWaalsContact O-OG 3.07Å; F64-S67 PolarHBondContact O-N 3.39Å; F64-S67 VanDerWaalsContact O-N 3.1Å; S67-A69 VanDerWaalsContact C-N 3.28Å; S67-A69 PolarHBondContact O-N 3.22Å; S67-A69 VanDerWaalsContact O-N 3.07Å
68	T	40.8	Very low	40.3	Very low	96 Å²	96	112.4 Å²	112.4	59%	0.589	61%	0.608	S	S	*	*			trans	-88.4	69.9	174.9	55.4	0	0	0	0	111.2	F64	F64-T68 HydrophobicContact CD1-CG2 3.95Å; F64-T68 HydrophobicContact CE1-CG2 3.53Å; F64-T68 HydrophobicContact CZ-CG2 4.01Å; F64-T68 PolarHBondContact O-N 3.4Å
69	A	33.2	Very low	39.4	Very low	89 Å²	89	112.2 Å²	112.2	74%	0.736	60%	0.603	S	S	*	*			trans	-104.5	58.4	157.9	0	0	0	0	0	108.6	S67	S67-A69 VanDerWaalsContact C-N 3.28Å; S67-A69 PolarHBondContact O-N 3.22Å; S67-A69 VanDerWaalsContact O-N 3.07Å
70	F	31.3	Very low	38.5	Very low	171 Å²	171	111.3 Å²	111.3	75%	0.75	61%	0.605	S	S	*	*	S	Bend	trans	-165.9	114.2	165.8	-143	-116.6	0	0	0	115.4
71	Q	32.1	Very low	38.3	Very low	159 Å²	159	112.4 Å²	112.4	74%	0.743	60%	0.603	S	S	*	*			trans	53.3	78.3	145	-60.4	-164.6	-19.6	0	0	119.7
72	G	28.6	Very low	38	Very low	33 Å²	33	108.7 Å²	108.7	34%	0.34	58%	0.583	S	S	.	*			trans	-139.9	31	154.8	0	0	0	0	0	112	K74 Y75 D76	G72-K74 PolarHBondContact O-N 3.19Å; G72-Y75 PolarHBondContact O-N 3.42Å; G72-D76 WeakPolarHBondContact CA-OD2 3.43Å
73	A	32.6	Very low	37.7	Very low	99 Å²	99	107.6 Å²	107.6	82%	0.818	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	29.4	-164.7	0	0	0	0	0	117.1
74	K	37.3	Very low	37.7	Very low	171 Å²	171	104.1 Å²	104.1	74%	0.743	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.7	-17.2	173.2	-155.2	167.6	-178.5	179.7	0	115.5	G72	G72-K74 PolarHBondContact O-N 3.19Å
75	Y	35.9	Very low	37.9	Very low	174 Å²	174	100.7 Å²	100.7	68%	0.682	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.6	-5.5	175.4	-60.1	-74.7	0	0	0	114.9	G72 I77	G72-Y75 PolarHBondContact O-N 3.42Å; Y75-I77 PolarHBondContact O-N 3.46Å; Y75-I77 VanDerWaalsContact O-N 3.14Å
76	D	30.7	Very low	38.2	Very low	91 Å²	91	93.8 Å²	93.8	49%	0.487	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-10.5	-177.7	-68.2	-15.2	0	0	0	114.3	G72 L78	G72-D76 WeakPolarHBondContact CA-OD2 3.43Å; D76-L78 PolarHBondContact O-N 3.5Å
77	I	37.8	Very low	38.3	Very low	127 Å²	127	90.4 Å²	90.4	65%	0.651	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.9	-171.1	-63.3	176.5	0	0	0	112.7	Y75	Y75-I77 PolarHBondContact O-N 3.46Å; Y75-I77 VanDerWaalsContact O-N 3.14Å
78	L	36.8	Very low	38.3	Very low	37 Å²	37	87 Å²	87	19%	0.194	47%	0.467	C	S	.	.	S	Bend	trans	-144.5	-2.3	-171.6	-94.6	167.7	0	0	0	120.2	D76 I201 S202 I206	D76-L78 PolarHBondContact O-N 3.5Å; L78-I201 HydrophobicContact CD1-CB 3.82Å; L78-I201 HydrophobicContact CD1-CG2 3.52Å; L78-I201 WeakPolarHBondContact CD1-O 3.3Å; L78-S202 VanDerWaalsContact CD1-C 3.41Å; L78-S202 WeakPolarHBondContact CD1-O 3.32Å; L78-I206 HydrophobicContact CD1-CG1 3.93Å; L78-I206 HydrophobicContact CD2-CG1 4.22Å
79	I	35.4	Very low	38.4	Very low	78 Å²	78	83.2 Å²	83.2	40%	0.4	45%	0.446	S	S	.	.	S	Bend	trans	-111.2	-18.2	-173.9	-64.5	156.8	0	0	0	113	D81 F182	I79-D81 VanDerWaalsContact C-N 3.28Å; I79-D81 PolarHBondContact O-N 3.25Å; I79-F182 HydrophobicContact CD1-CE2 3.68Å; I79-F182 HydrophobicContact CD1-CZ 3.51Å; I79-F182 HydrophobicContact CG1-CE2 3.89Å; I79-F182 HydrophobicContact CG1-CZ 4.26Å; I79-F182 HydrophobicContact CG2-CE2 3.84Å; I79-F182 HydrophobicContact CG2-CZ 4.39Å
80	D	39	Very low	39.1	Very low	130 Å²	130	80.5 Å²	80.5	70%	0.695	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-11.3	178.6	-70.3	-55.5	0	0	0	114.4
81	D	40.1	Very low	39.9	Very low	78 Å²	78	73.5 Å²	73.5	42%	0.417	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	12.8	176.2	-70	-59.7	0	0	0	113.6	I79 D83 Y233	I79-D81 VanDerWaalsContact C-N 3.28Å; I79-D81 PolarHBondContact O-N 3.25Å; D81-D83 PolarHBondContact O-N 3.32Å; D81-Y233 WeakPolarHBondContact OD2-CD2 3.23Å; D81-Y233 WeakPolarHBondContact OD2-CE2 3.06Å
82	I	43	Very low	40.4	Very low	55 Å²	55	67.9 Å²	67.9	28%	0.282	37%	0.368	S	S	.	.	S	Bend	trans	-71.6	83.6	161.9	-66.3	179.7	0	0	0	105.6	I86	I82-I86 HydrophobicContact CB-CD1 4.2Å; I82-I86 HydrophobicContact CG1-CD1 4.35Å; I82-I86 HydrophobicContact CG2-CB 3.81Å; I82-I86 HydrophobicContact CG2-CD1 3.64Å; I82-I86 HydrophobicContact CG2-CG1 4.31Å; I82-I86 HydrophobicContact CG2-CG2 3.76Å
83	D	43.2	Very low	41.1	Very low	39 Å²	39	67.5 Å²	67.5	21%	0.209	36%	0.36	C	S	.	.			trans	-41.4	142.4	-171.2	-120.5	-26.9	0	0	0	109.9	D81 N85 I86 W87 A229	D81-D83 PolarHBondContact O-N 3.32Å; D83-N85 HydrophobicContact CB-CB 3.91Å; D83-N85 VanDerWaalsContact CG-ND2 3.32Å; D83-N85 CarbonylContact O-C 3.57Å; D83-N85 PolarHBondContact O-N 2.98Å; D83-N85 PolarHBondContact OD2-ND2 2.61Å; D83-I86 PolarHBondContact O-N 2.82Å; D83-W87 PolarHBondContact O-N 3.37Å; D83-A229 HydrophobicContact CB-CB 3.99Å; D83-A229 WeakPolarHBondContact OD2-CB 3.49Å
84	V	47.1	Very low	41.3	Very low	50 Å²	50	65.3 Å²	65.3	30%	0.303	34%	0.342	S	S	.	.	H	α-helix	trans	-46	-23.1	163	165.3	0	0	0	0	110.9	W87 C88 Y152 V156	V84-W87 CarbonylContact O-C 3.6Å; V84-W87 WeakPolarHBondContact O-CB 3.44Å; V84-C88 VanDerWaalsContact O-CB 3.26Å; V84-C88 WeakPolarHBondContact O-CB 3.48Å; V84-C88 PolarHBondContact O-N 3.25Å; V84-Y152 HydrophobicContact CG2-CD1 3.57Å; V84-Y152 HydrophobicContact CG2-CE1 3.96Å; V84-V156 HydrophobicContact CG1-CG2 4.12Å
85	N	42.5	Very low	41.4	Very low	70 Å²	70	59.4 Å²	59.4	37%	0.374	33%	0.325	S	S	.	.	H	α-helix	trans	-71.9	-37	172.5	-49.4	-40.8	0	0	0	115.3	D83 W87 C88 A89	D83-N85 HydrophobicContact CB-CB 3.91Å; D83-N85 VanDerWaalsContact CG-ND2 3.32Å; D83-N85 CarbonylContact O-C 3.57Å; D83-N85 PolarHBondContact O-N 2.98Å; D83-N85 PolarHBondContact OD2-ND2 2.61Å; N85-W87 PolarHBondContact O-N 2.93Å; N85-C88 CarbonylContact O-C 3.55Å; N85-C88 WeakPolarHBondContact O-CB 3.4Å; N85-C88 PolarHBondContact O-N 3.35Å; N85-C88 VanDerWaalsContact O-N 3.16Å; N85-A89 VanDerWaalsContact O-CB 3.3Å; N85-A89 WeakPolarHBondContact O-CB 3.49Å; N85-A89 PolarHBondContact O-N 3.32Å
86	I	49.7	Very low	41.2	Very low	26 Å²	26	60 Å²	60	13%	0.133	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-43.5	169.8	-73.9	172.9	0	0	0	108.7	I82 D83 A89 I90 E225	I82-I86 HydrophobicContact CB-CD1 4.2Å; I82-I86 HydrophobicContact CG1-CD1 4.35Å; I82-I86 HydrophobicContact CG2-CB 3.81Å; I82-I86 HydrophobicContact CG2-CD1 3.64Å; I82-I86 HydrophobicContact CG2-CG1 4.31Å; I82-I86 HydrophobicContact CG2-CG2 3.76Å; D83-I86 PolarHBondContact O-N 2.82Å; I86-A89 PolarHBondContact O-N 3.45Å; I86-I90 HydrophobicContact CG2-CD1 3.58Å; I86-I90 HydrophobicContact CG2-CG1 4.28Å; I86-I90 WeakPolarHBondContact O-CB 3.37Å; I86-I90 WeakPolarHBondContact O-CG1 3.39Å; I86-I90 PolarHBondContact O-N 3.36Å; I86-E225 HydrophobicContact CG1-CB 4.2Å
87	W	45.8	Very low	41.2	Very low	33 Å²	33	60.5 Å²	60.5	13%	0.125	34%	0.341	C	S	.	.	H	α-helix	trans	-65.1	-40.3	174	-122.9	68.9	0	0	0	112.2	D83 V84 N85 A89 I90 V91 F149 I153 V156 V178	D83-W87 PolarHBondContact O-N 3.37Å; V84-W87 CarbonylContact O-C 3.6Å; V84-W87 WeakPolarHBondContact O-CB 3.44Å; N85-W87 PolarHBondContact O-N 2.93Å; W87-A89 VanDerWaalsContact C-N 3.31Å; W87-A89 PolarHBondContact O-N 2.83Å; W87-I90 PolarHBondContact O-N 2.97Å; W87-V91 HydrophobicContact CE3-CG2 4.09Å; W87-V91 VanDerWaalsContact O-CB 3.22Å; W87-V91 WeakPolarHBondContact O-CB 3.48Å; W87-V91 WeakPolarHBondContact O-CG2 3.26Å; W87-V91 PolarHBondContact O-N 3.46Å; W87-F149 HydrophobicContact CH2-CB 3.48Å; W87-F149 VanDerWaalsContact CH2-CB 3.48Å; W87-F149 HydrophobicContact CH2-CG 4.29Å; W87-F149 HydrophobicContact CZ2-CB 3.46Å; W87-F149 VanDerWaalsContact CZ2-CB 3.46Å; W87-F149 HydrophobicContact CZ2-CD1 4.07Å; W87-F149 HydrophobicContact CZ2-CD2 4.48Å; W87-F149 AromaticContact CZ2-CG 3.76Å; W87-F149 HydrophobicContact CZ2-CG 3.76Å; W87-I153 HydrophobicContact CH2-CB 4.36Å; W87-I153 HydrophobicContact CH2-CD1 3.85Å; W87-I153 HydrophobicContact CH2-CG1 3.15Å; W87-I153 HydrophobicContact CZ2-CG1 4.48Å; W87-I153 HydrophobicContact CZ3-CB 3.99Å; W87-I153 HydrophobicContact CZ3-CD1 4.33Å; W87-I153 HydrophobicContact CZ3-CG1 3.19Å; W87-V156 HydrophobicContact CB-CG2 4.45Å; W87-V156 HydrophobicContact CE3-CG2 4.17Å; W87-V178 HydrophobicContact CD2-CG2 4.27Å; W87-V178 VanDerWaalsContact CE2-CG1 3.43Å; W87-V178 HydrophobicContact CH2-CB 4.2Å; W87-V178 HydrophobicContact CH2-CG1 4.46Å; W87-V178 HydrophobicContact CH2-CG2 3.37Å; W87-V178 HydrophobicContact CZ2-CB 3.41Å; W87-V178 VanDerWaalsContact CZ2-CB 3.41Å; W87-V178 HydrophobicContact CZ2-CG1 3.29Å; W87-V178 HydrophobicContact CZ2-CG2 2.93Å; W87-V178 HydrophobicContact CZ3-CG2 4.21Å
88	C	42.3	Very low	40.9	Very low	21 Å²	21	62.2 Å²	62.2	14%	0.142	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-40	175.6	-150.7	0	0	0	0	111	V84 N85 S92 V156	V84-C88 VanDerWaalsContact O-CB 3.26Å; V84-C88 WeakPolarHBondContact O-CB 3.48Å; V84-C88 PolarHBondContact O-N 3.25Å; N85-C88 CarbonylContact O-C 3.55Å; N85-C88 WeakPolarHBondContact O-CB 3.4Å; N85-C88 PolarHBondContact O-N 3.35Å; N85-C88 VanDerWaalsContact O-N 3.16Å; C88-S92 WeakPolarHBondContact O-CA 3.45Å; C88-S92 WeakPolarHBondContact O-CB 3.41Å; C88-S92 PolarHBondContact O-N 3.39Å; C88-S92 PolarHBondContact O-OG 2.98Å; C88-V156 HydrophobicContact CB-CG1 4.26Å; C88-V156 HydrophobicContact CB-CG2 3.99Å
89	A	42.2	Very low	40.7	Very low	17 Å²	17	64 Å²	64	14%	0.14	37%	0.371	C	S	.	.	H	α-helix	trans	-73.8	-43.2	178.6	0	0	0	0	0	112.1	N85 I86 W87 S93 E225	N85-A89 VanDerWaalsContact O-CB 3.3Å; N85-A89 WeakPolarHBondContact O-CB 3.49Å; N85-A89 PolarHBondContact O-N 3.32Å; I86-A89 PolarHBondContact O-N 3.45Å; W87-A89 VanDerWaalsContact C-N 3.31Å; W87-A89 PolarHBondContact O-N 2.83Å; A89-S93 WeakPolarHBondContact O-CB 3.47Å; A89-S93 PolarHBondContact O-N 2.83Å; A89-S93 PolarHBondContact O-OG 3.43Å; A89-E225 HydrophobicContact CB-CG 3.82Å
90	I	47.2	Very low	40.4	Very low	32 Å²	32	66.3 Å²	66.3	16%	0.164	38%	0.384	C	S	.	.	H	α-helix	trans	-63.6	-45.2	176.4	-69.2	170.1	0	0	0	110.2	I86 W87 A94	I86-I90 HydrophobicContact CG2-CD1 3.58Å; I86-I90 HydrophobicContact CG2-CG1 4.28Å; I86-I90 WeakPolarHBondContact O-CB 3.37Å; I86-I90 WeakPolarHBondContact O-CG1 3.39Å; I86-I90 PolarHBondContact O-N 3.36Å; W87-I90 PolarHBondContact O-N 2.97Å; I90-A94 WeakPolarHBondContact O-CB 3.5Å; I90-A94 PolarHBondContact O-N 2.94Å
91	V	48.3	Very low	39.9	Very low	23 Å²	23	68.4 Å²	68.4	14%	0.139	40%	0.395	C	S	.	.	H	α-helix	trans	-72.5	-40	179.5	173.8	0	0	0	0	111.7	W87 S93 A94 A95 V156 M174	W87-V91 HydrophobicContact CE3-CG2 4.09Å; W87-V91 VanDerWaalsContact O-CB 3.22Å; W87-V91 WeakPolarHBondContact O-CB 3.48Å; W87-V91 WeakPolarHBondContact O-CG2 3.26Å; W87-V91 PolarHBondContact O-N 3.46Å; V91-S93 VanDerWaalsContact C-N 3.29Å; V91-S93 PolarHBondContact O-N 3.13Å; V91-A94 PolarHBondContact O-N 3.17Å; V91-A95 WeakPolarHBondContact O-CB 3.43Å; V91-A95 PolarHBondContact O-N 3.34Å; V91-V156 HydrophobicContact CB-CG1 3.79Å; V91-V156 HydrophobicContact CG1-CG1 3.78Å; V91-V156 HydrophobicContact CG2-CG1 4.38Å; V91-M174 HydrophobicContact CG1-CE 4.12Å; V91-M174 HydrophobicContact CG2-CE 4.16Å
92	S	42.5	Very low	39.5	Very low	42 Å²	42	68.4 Å²	68.4	29%	0.294	40%	0.397	S	S	.	.	H	α-helix	trans	-64.7	-37	175.7	-61.2	0	0	0	0	111.4	C88 A95 F96 V160	C88-S92 WeakPolarHBondContact O-CA 3.45Å; C88-S92 WeakPolarHBondContact O-CB 3.41Å; C88-S92 PolarHBondContact O-N 3.39Å; C88-S92 PolarHBondContact O-OG 2.98Å; S92-A95 PolarHBondContact O-N 3.14Å; S92-F96 PolarHBondContact O-N 3.15Å; S92-V160 VanDerWaalsContact OG-CG2 3.3Å; S92-V160 WeakPolarHBondContact OG-CG2 3.48Å
93	S	42.8	Very low	38.8	Very low	25 Å²	25	70.9 Å²	70.9	18%	0.175	42%	0.42	C	S	.	.	H	α-helix	trans	-68.4	-41	175.6	-64.5	0	0	0	0	112.4	A89 V91 A95 F96 C97 L218	A89-S93 WeakPolarHBondContact O-CB 3.47Å; A89-S93 PolarHBondContact O-N 2.83Å; A89-S93 PolarHBondContact O-OG 3.43Å; V91-S93 VanDerWaalsContact C-N 3.29Å; V91-S93 PolarHBondContact O-N 3.13Å; S93-A95 VanDerWaalsContact C-N 3.27Å; S93-A95 PolarHBondContact O-N 3.36Å; S93-F96 PolarHBondContact O-N 2.88Å; S93-C97 PolarHBondContact O-N 3.12Å; S93-L218 VanDerWaalsContact CB-CD2 3.42Å
94	A	38.3	Very low	38.2	Very low	52 Å²	52	77.5 Å²	77.5	43%	0.43	44%	0.443	S	S	.	.	H	α-helix	trans	-66.8	-30.8	175.5	0	0	0	0	0	112.3	I90 V91	I90-A94 WeakPolarHBondContact O-CB 3.5Å; I90-A94 PolarHBondContact O-N 2.94Å; V91-A94 PolarHBondContact O-N 3.17Å
95	A	38	Very low	37.3	Very low	48 Å²	48	79.7 Å²	79.7	40%	0.397	45%	0.453	S	S	.	.	H	α-helix	trans	-72.3	-35.8	173.2	0	0	0	0	0	112	V91 S92 S93 C97 K98	V91-A95 WeakPolarHBondContact O-CB 3.43Å; V91-A95 PolarHBondContact O-N 3.34Å; S92-A95 PolarHBondContact O-N 3.14Å; S93-A95 VanDerWaalsContact C-N 3.27Å; S93-A95 PolarHBondContact O-N 3.36Å; A95-C97 VanDerWaalsContact C-N 3.34Å; A95-C97 PolarHBondContact O-N 3.31Å; A95-K98 PolarHBondContact O-N 3.29Å
96	F	31.6	Very low	36.6	Very low	187 Å²	187	81.6 Å²	81.6	82%	0.82	46%	0.463	S	S	*	.	H	α-helix	trans	-73.2	-24.9	-179.1	-152.8	-98.8	0	0	0	113.5	S92 S93 K98	S92-F96 PolarHBondContact O-N 3.15Å; S93-F96 PolarHBondContact O-N 2.88Å; F96-K98 PolarHBondContact O-N 3.47Å
97	C	32	Very low	35.5	Very low	101 Å²	101	90.1 Å²	90.1	68%	0.682	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	3.8	175.1	-74.2	0	0	0	0	114.8	S93 A95	S93-C97 PolarHBondContact O-N 3.12Å; A95-C97 VanDerWaalsContact C-N 3.34Å; A95-C97 PolarHBondContact O-N 3.31Å
98	K	31.6	Very low	34.4	Very low	162 Å²	162	93.5 Å²	93.5	70%	0.704	52%	0.521	S	S	*	.			trans	-117.7	80.9	167.2	-78.9	-176.3	176.9	179.1	0	110	A95 F96 D100	A95-K98 PolarHBondContact O-N 3.29Å; F96-K98 PolarHBondContact O-N 3.47Å; K98-D100 PolarHBondContact O-N 3.4Å; K98-D100 VanDerWaalsContact O-N 3.09Å
99	G	31.5	Very low	33.7	Very low	75 Å²	75	98.3 Å²	98.3	77%	0.773	55%	0.549	S	S	*	.			trans	-66.8	13.9	161.1	0	0	0	0	0	114.3
100	D	30.3	Very low	33	Very low	126 Å²	126	105.3 Å²	105.3	67%	0.674	58%	0.583	S	S	*	*			trans	-100.2	110.6	174.9	-65.5	-40.1	0	0	0	109.8	K98 V102	K98-D100 PolarHBondContact O-N 3.4Å; K98-D100 VanDerWaalsContact O-N 3.09Å; D100-V102 VanDerWaalsContact C-N 3.3Å; D100-V102 HydrophobicContact CB-CG2 3.98Å; D100-V102 WeakPolarHBondContact O-CG2 3.15Å; D100-V102 PolarHBondContact O-N 3.43Å
101	L	27.5	Very low	32.1	Very low	174 Å²	174	107.7 Å²	107.7	91%	0.911	61%	0.608	S	S	*	*			trans	-50	100.9	152.1	-87.7	91.3	0	0	0	107.8
102	V	33.2	Very low	31.1	Very low	78 Å²	78	116.7 Å²	116.7	47%	0.473	65%	0.645	S	S	.	*			trans	-114.4	80.6	161.2	-130.5	0	0	0	0	107.4	D100 Y104	D100-V102 VanDerWaalsContact C-N 3.3Å; D100-V102 HydrophobicContact CB-CG2 3.98Å; D100-V102 WeakPolarHBondContact O-CG2 3.15Å; D100-V102 PolarHBondContact O-N 3.43Å; V102-Y104 HydrophobicContact CB-CD2 3.59Å; V102-Y104 HydrophobicContact CB-CE2 3.43Å; V102-Y104 VanDerWaalsContact CB-CE2 3.43Å; V102-Y104 HydrophobicContact CG1-CD2 3.62Å; V102-Y104 HydrophobicContact CG1-CE1 4.21Å; V102-Y104 HydrophobicContact CG1-CE2 3.2Å; V102-Y104 HydrophobicContact CG1-CG 4.29Å; V102-Y104 HydrophobicContact CG2-CE2 4.12Å; V102-Y104 PolarHBondContact O-N 3.01Å
103	S	26.6	Very low	30.4	Very low	108 Å²	108	119.3 Å²	119.3	76%	0.755	67%	0.669	S	S	*	*			trans	-54.5	79.1	152.2	175.8	0	0	0	0	108.2	D105	S103-D105 PolarHBondContact O-N 3.29Å
104	Y	31.8	Very low	29.7	Very low	178 Å²	178	124.7 Å²	124.7	70%	0.698	70%	0.701	S	S	*	*			trans	-75.9	84.4	167	-81.9	-73.6	0	0	0	108.1	V102 L106	V102-Y104 HydrophobicContact CB-CD2 3.59Å; V102-Y104 HydrophobicContact CB-CE2 3.43Å; V102-Y104 VanDerWaalsContact CB-CE2 3.43Å; V102-Y104 HydrophobicContact CG1-CD2 3.62Å; V102-Y104 HydrophobicContact CG1-CE1 4.21Å; V102-Y104 HydrophobicContact CG1-CE2 3.2Å; V102-Y104 HydrophobicContact CG1-CG 4.29Å; V102-Y104 HydrophobicContact CG2-CE2 4.12Å; V102-Y104 PolarHBondContact O-N 3.01Å; Y104-L106 HydrophobicContact CD1-CD1 3.79Å; Y104-L106 HydrophobicContact CG-CD1 4.32Å; Y104-L106 PolarHBondContact O-N 3.01Å
105	D	27.1	Very low	29.5	Very low	95 Å²	95	130.7 Å²	130.7	51%	0.508	72%	0.723	S	S	.	*			trans	-66.3	80	157.2	-175.1	7.8	0	0	0	108.2	S103 R107	S103-D105 PolarHBondContact O-N 3.29Å; D105-R107 PolarHBondContact O-N 2.88Å; D105-R107 IonicContact OD1-CZ 3.7Å; D105-R107 IonicContact OD1-NE 3.86Å; D105-R107 IonicContact OD1-NH1 3.95Å; D105-R107 IonicContact OD1-NH2 3.64Å; D105-R107 IonicContact OD2-CZ 2.82Å; D105-R107 IonicContact OD2-NE 3.62Å; D105-R107 IonicContact OD2-NH1 2.62Å; D105-R107 IonicContact OD2-NH2 3.08Å; D105-R107 PolarHBondContact OD2-NH2 2.96Å
106	L	27.9	Very low	29.7	Very low	111 Å²	111	134 Å²	134	58%	0.581	74%	0.74	S	S	*	*			trans	-83.7	68	179.9	-130.1	83.6	0	0	0	110	Y104 C108 V109	Y104-L106 HydrophobicContact CD1-CD1 3.79Å; Y104-L106 HydrophobicContact CG-CD1 4.32Å; Y104-L106 PolarHBondContact O-N 3.01Å; L106-C108 PolarHBondContact O-N 2.97Å; L106-V109 HydrophobicContact CD2-CG2 4.36Å
107	R	28.2	Very low	30	Very low	204 Å²	204	130.9 Å²	130.9	77%	0.77	74%	0.739	S	S	*	*			trans	-71.3	8.9	166.5	-98	-168.8	-69.6	-105	3.5	114.5	D105	D105-R107 PolarHBondContact O-N 2.88Å; D105-R107 IonicContact OD1-CZ 3.7Å; D105-R107 IonicContact OD1-NE 3.86Å; D105-R107 IonicContact OD1-NH1 3.95Å; D105-R107 IonicContact OD1-NH2 3.64Å; D105-R107 IonicContact OD2-CZ 2.82Å; D105-R107 IonicContact OD2-NE 3.62Å; D105-R107 IonicContact OD2-NH1 2.62Å; D105-R107 IonicContact OD2-NH2 3.08Å; D105-R107 PolarHBondContact OD2-NH2 2.96Å
108	C	22.2	Very low	30.3	Very low	105 Å²	105	136 Å²	136	71%	0.709	75%	0.749	S	S	*	*			trans	-134.9	76.3	-174.7	-161.9	0	0	0	0	113.2	L106	L106-C108 PolarHBondContact O-N 2.97Å
109	V	27.3	Very low	30.3	Very low	122 Å²	122	134.6 Å²	134.6	74%	0.739	75%	0.754	S	S	*	*			trans	-137.9	48.4	142	-165.1	0	0	0	0	108.3	L106	L106-V109 HydrophobicContact CD2-CG2 4.36Å
110	L	26.6	Very low	30.6	Very low	163 Å²	163	136.7 Å²	136.7	85%	0.853	76%	0.757	S	S	*	*			trans	-105.9	81.4	159	179.1	73.7	0	0	0	106.3
111	A	28	Very low	30.6	Very low	83 Å²	83	135.3 Å²	135.3	69%	0.686	76%	0.763	S	S	*	*			trans	170	92.5	159.6	0	0	0	0	0	109.4
112	K	28.1	Very low	31	Very low	212 Å²	212	137.1 Å²	137.1	92%	0.922	76%	0.764	S	S	*	*			trans	164.2	81	146.8	-91.7	165.6	-178.8	-175.7	0	110
113	A	28.7	Very low	31	Very low	96 Å²	96	136.9 Å²	136.9	79%	0.793	78%	0.777	S	S	*	*			trans	-160	71.7	147.9	0	0	0	0	0	107.2	M115	A113-M115 PolarHBondContact O-N 2.98Å
114	T	27.8	Very low	31.1	Very low	138 Å²	138	140.6 Å²	140.6	85%	0.847	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-51.6	122.4	166.6	31.5	0	0	0	0	110.4
115	M	34.2	Very low	31.5	Very low	178 Å²	178	141.6 Å²	141.6	88%	0.877	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66.7	130.6	170.1	-64.6	-110	-79.2	0	0	110.2	A113	A113-M115 PolarHBondContact O-N 2.98Å
116	P	41.3	Very low	31.8	Very low	119 Å²	119	146.7 Å²	146.7	77%	0.773	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-86	128.9	158.6	31.4	-27.5	0	0	0	109.5
117	P	38.1	Very low	32	Very low	121 Å²	121	146 Å²	146	79%	0.786	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-83.6	123.6	174.1	32.5	-28.1	0	0	0	108.9
118	K	37.8	Very low	32.2	Very low	207 Å²	207	139.9 Å²	139.9	90%	0.9	82%	0.821	S	S	*	*			trans	-119.8	101.6	161.8	-124.5	177.2	-178	175.6	0	109.4
119	V	32.7	Very low	32.9	Very low	134 Å²	134	144.3 Å²	144.3	81%	0.812	83%	0.828	S	S	*	*			trans	-52.3	131.1	165.5	-72	0	0	0	0	111.5
120	S	38.3	Very low	33.1	Very low	119 Å²	119	143.5 Å²	143.5	83%	0.832	83%	0.834	S	S	*	*			trans	-171	91.6	141.1	60.1	0	0	0	0	109
121	A	30.2	Very low	33.8	Very low	97 Å²	97	143.9 Å²	143.9	80%	0.802	83%	0.832	S	S	*	*			trans	-79.7	122	164.1	0	0	0	0	0	109.4
122	K	35.2	Very low	34.1	Very low	212 Å²	212	149.9 Å²	149.9	92%	0.922	84%	0.842	S	S	*	*			trans	-177.6	136.5	148.3	-136.1	83	178.8	-176.3	0	111.1
123	G	32	Very low	34.6	Very low	72 Å²	72	144.8 Å²	144.8	74%	0.742	83%	0.829	S	S	*	*			trans	113.3	62.6	139.6	0	0	0	0	0	119.1	K125	G123-K125 PolarHBondContact O-N 2.83Å
124	M	30.5	Very low	35.2	Very low	186 Å²	186	144.5 Å²	144.5	92%	0.916	82%	0.821	S	S	*	*			trans	-19	118.9	137.8	-179.4	104	131.7	0	0	116.1
125	K	40.3	Very low	35.7	Very low	200 Å²	200	148.5 Å²	148.5	87%	0.87	83%	0.827	S	S	*	*			trans	-167.2	100.3	139.9	-72.7	-153	-177.3	175.6	0	108.7	G123	G123-K125 PolarHBondContact O-N 2.83Å
126	K	33	Very low	36.1	Very low	201 Å²	201	144.5 Å²	144.5	87%	0.874	82%	0.816	S	S	*	*				59.6	104.6	93.3	-160.9	168.6	-171.3	175.6	0	115.3
127	A	31.9	Very low	36.1	Very low	96 Å²	96	142.1 Å²	142.1	79%	0.793	81%	0.813	S	S	*	*			trans	54	122.2	138.5	0	0	0	0	0	120.5
128	G	31.9	Very low	36.4	Very low	77 Å²	77	143.6 Å²	143.6	79%	0.794	82%	0.815	S	S	*	*			trans	109.1	89.2	133.9	0	0	0	0	0	115.9
129	K	36.2	Very low	37	Very low	198 Å²	198	141.1 Å²	141.1	86%	0.861	80%	0.804	S	S	*	*				-176.6	122.2	118.4	-117.2	173.8	173.2	176.1	0	109.3	Q131	K129-Q131 PolarHBondContact O-N 2.71Å
130	A	33.3	Very low	38	Very low	105 Å²	105	144.4 Å²	144.4	87%	0.868	81%	0.807	S	S	*	*			trans	-60.6	98.2	168.3	0	0	0	0	0	109.7
131	Q	40.5	Very low	38.8	Very low	171 Å²	171	147.9 Å²	147.9	80%	0.799	80%	0.802	S	S	*	*			trans	-100.1	89.2	158.6	-99.3	176.6	-51.4	0	0	108.3	K129 V133	K129-Q131 PolarHBondContact O-N 2.71Å; Q131-V133 VanDerWaalsContact C-N 3.25Å; Q131-V133 PolarHBondContact O-N 3.44Å
132	K	33.9	Very low	40.1	Very low	208 Å²	208	152.8 Å²	152.8	90%	0.904	81%	0.805	S	S	*	*			trans	-61.8	85.3	162.2	-179.5	-176.2	-177.8	-176.9	0	107.9
133	V	39.8	Very low	41.2	Very low	106 Å²	106	151.5 Å²	151.5	64%	0.642	80%	0.8	S	S	*	*			trans	-132.9	114	170	-171.6	0	0	0	0	109.2	Q131	Q131-V133 VanDerWaalsContact C-N 3.25Å; Q131-V133 PolarHBondContact O-N 3.44Å
134	S	40	Very low	42.3	Very low	90 Å²	90	152.5 Å²	152.5	63%	0.629	80%	0.796	S	S	*	*			trans	50.5	89.3	161	63.9	0	0	0	0	117.7	S136	S134-S136 PolarHBondContact O-N 2.7Å
135	K	38.4	Very low	43.6	Very low	221 Å²	221	154.4 Å²	154.4	96%	0.961	79%	0.792	S	S	*	*			trans	-70.5	61.9	148.3	-158.3	161.4	-173.9	157.3	0	108.5	G137	K135-G137 PolarHBondContact O-N 2.89Å
136	S	43.1	Very low	44.6	Very low	95 Å²	95	152.6 Å²	152.6	66%	0.664	79%	0.785	S	S	*	*			trans	-80.5	86	179.1	42.3	0	0	0	0	109.2	S134 D138	S134-S136 PolarHBondContact O-N 2.7Å; S136-D138 PolarHBondContact O-N 2.87Å
137	G	40.2	Very low	46.2	Very low	69 Å²	69	151.1 Å²	151.1	71%	0.711	78%	0.781	S	S	*	*			trans	43.1	67.8	150.3	0	0	0	0	0	115.3	K135 K139	K135-G137 PolarHBondContact O-N 2.89Å; G137-K139 VanDerWaalsContact C-N 3.33Å; G137-K139 PolarHBondContact O-N 3.48Å
138	D	44.7	Very low	48.4	Very low	151 Å²	151	149.5 Å²	149.5	81%	0.807	76%	0.764	S	S	*	*			trans	-51	101.9	164.1	-96.2	-55.8	0	0	0	109.3	S136 K140	S136-D138 PolarHBondContact O-N 2.87Å; D138-K140 PolarHBondContact O-N 2.84Å
139	K	50.7	Low	50.8	Low	156 Å²	156	149.1 Å²	149.1	68%	0.678	74%	0.74	S	S	*	*			trans	24.6	56.2	132.2	-71.6	172.8	-172.3	157.1	0	114.7	G137 R141	G137-K139 VanDerWaalsContact C-N 3.33Å; G137-K139 PolarHBondContact O-N 3.48Å; K139-R141 HydrophobicContact CB-CG 4.21Å; K139-R141 PolarHBondContact O-N 3.34Å
140	K	53.3	Low	53	Low	202 Å²	202	140.7 Å²	140.7	88%	0.878	71%	0.708	S	S	*	*			trans	-71.7	57.5	148.9	-154.5	178.3	-172.2	178.8	0	106.7	D138 K142	D138-K140 PolarHBondContact O-N 2.84Å; K140-K142 VanDerWaalsContact C-N 3.31Å; K140-K142 PolarHBondContact O-N 3.45Å
141	R	56.7	Low	55.5	Low	193 Å²	193	139.3 Å²	139.3	73%	0.728	69%	0.691	S	S	*	*			trans	-45.9	108.2	161.5	-77.9	177.5	171.7	176.1	-4.2	102.6	K139 K143	K139-R141 HydrophobicContact CB-CG 4.21Å; K139-R141 PolarHBondContact O-N 3.34Å; R141-K143 VanDerWaalsContact C-N 3.27Å; R141-K143 PolarHBondContact O-N 2.73Å
142	K	56.9	Low	57.5	Low	200 Å²	200	136.4 Å²	136.4	87%	0.87	67%	0.674	S	S	*	*			trans	-41.5	104.3	175.3	-75.3	173.1	174.4	176.1	0	104.3	K140 S144	K140-K142 VanDerWaalsContact C-N 3.31Å; K140-K142 PolarHBondContact O-N 3.45Å; K142-S144 VanDerWaalsContact C-N 3.3Å; K142-S144 PolarHBondContact O-N 2.98Å
143	K	57.6	Low	60	Low	184 Å²	184	126.8 Å²	126.8	80%	0.8	63%	0.633	S	S	*	*			trans	-49	109.3	178.9	171.9	-179.8	179.4	-176.8	0	102.4	R141 R145	R141-K143 VanDerWaalsContact C-N 3.27Å; R141-K143 PolarHBondContact O-N 2.73Å; K143-R145 PolarHBondContact O-N 3.17Å
144	S	55.5	Low	62.2	Low	94 Å²	94	126.8 Å²	126.8	66%	0.657	62%	0.622	S	S	*	*			trans	-46.5	118.6	-171.6	47.1	0	0	0	0	104.6	K142 K146	K142-S144 VanDerWaalsContact C-N 3.3Å; K142-S144 PolarHBondContact O-N 2.98Å; S144-K146 VanDerWaalsContact C-N 3.26Å; S144-K146 PolarHBondContact O-N 3.44Å
145	R	57.1	Low	64.5	Low	225 Å²	225	127.8 Å²	127.8	85%	0.849	62%	0.615	S	S	*	*			trans	-56	106.8	-178.2	179.7	180	-178.2	179.5	-1.4	102.7	K143 E147	K143-R145 PolarHBondContact O-N 3.17Å; R145-E147 PolarHBondContact O-N 3.38Å
146	K	62.1	Low	66.5	Low	163 Å²	163	117.3 Å²	117.3	71%	0.709	57%	0.569	S	S	*	*			trans	-66.8	99.1	177	-71.1	-171.9	177.8	-170.4	0	102.9	S144 S148	S144-K146 VanDerWaalsContact C-N 3.26Å; S144-K146 PolarHBondContact O-N 3.44Å; K146-S148 WeakPolarHBondContact O-CB 3.43Å; K146-S148 PolarHBondContact O-N 2.78Å; K146-S148 PolarHBondContact O-OG 3.16Å
147	E	67	Low	68.4	Low	169 Å²	169	114.2 Å²	114.2	79%	0.79	55%	0.545	S	S	*	.			trans	-56.2	96.2	167.6	-71.1	171.8	-168.5	0	0	104.5	R145	R145-E147 PolarHBondContact O-N 3.38Å
148	S	78.2	Confident	70.6	Confident	62 Å²	62	118 Å²	118	43%	0.434	54%	0.542	S	S	.	.			trans	-132	130.9	-171.2	53.9	0	0	0	0	106.4	K146 A150 N175	K146-S148 WeakPolarHBondContact O-CB 3.43Å; K146-S148 PolarHBondContact O-N 2.78Å; K146-S148 PolarHBondContact O-OG 3.16Å; S148-A150 PolarHBondContact O-N 2.81Å; S148-N175 VanDerWaalsContact CA-OD1 3.3Å; S148-N175 WeakPolarHBondContact CA-OD1 3.39Å
149	F	81.5	Confident	72.5	Confident	69 Å²	69	117.9 Å²	117.9	30%	0.303	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	11.5	178.3	-66.4	-85.3	0	0	0	111.7	W87 S151 Y152 I153 N175 V178 N179	W87-F149 HydrophobicContact CH2-CB 3.48Å; W87-F149 VanDerWaalsContact CH2-CB 3.48Å; W87-F149 HydrophobicContact CH2-CG 4.29Å; W87-F149 HydrophobicContact CZ2-CB 3.46Å; W87-F149 VanDerWaalsContact CZ2-CB 3.46Å; W87-F149 HydrophobicContact CZ2-CD1 4.07Å; W87-F149 HydrophobicContact CZ2-CD2 4.48Å; W87-F149 AromaticContact CZ2-CG 3.76Å; W87-F149 HydrophobicContact CZ2-CG 3.76Å; F149-S151 VanDerWaalsContact C-N 3.26Å; F149-S151 PolarHBondContact O-N 2.73Å; F149-S151 VanDerWaalsContact O-N 3.12Å; F149-Y152 AromaticContact CD1-CD2 3.96Å; F149-Y152 HydrophobicContact CD1-CD2 3.96Å; F149-Y152 CarbonylContact O-C 3.52Å; F149-Y152 WeakPolarHBondContact O-CA 3.3Å; F149-Y152 WeakPolarHBondContact O-CB 3.41Å; F149-Y152 PolarHBondContact O-N 3.4Å; F149-I153 HydrophobicContact CB-CD1 4.39Å; F149-I153 HydrophobicContact CB-CG1 4.46Å; F149-I153 WeakPolarHBondContact O-CG1 3.21Å; F149-I153 PolarHBondContact O-N 2.98Å; F149-N175 PolarHBondContact N-OD1 3.42Å; F149-V178 HydrophobicContact CD2-CG1 4.37Å; F149-N179 VanDerWaalsContact CE2-OD1 3.3Å; F149-N179 WeakPolarHBondContact CE2-OD1 3.39Å
150	A	82.6	Confident	74.1	Confident	22 Å²	22	112.5 Å²	112.5	18%	0.182	52%	0.517	C	S	.	.	H	α-helix	trans	-52.6	-40.5	-173.6	0	0	0	0	0	113.4	S148 Y152 I153 Y154 M171	S148-A150 PolarHBondContact O-N 2.81Å; A150-Y152 VanDerWaalsContact C-N 3.34Å; A150-Y152 PolarHBondContact O-N 3.45Å; A150-I153 PolarHBondContact O-N 3.4Å; A150-Y154 WeakPolarHBondContact O-CD2 3.2Å; A150-Y154 PolarHBondContact O-N 3.09Å; A150-M171 HydrophobicContact CB-CG 4.12Å; A150-M171 HydrophobicContact CB-SD 3.74Å
151	S	86.3	Confident	75.6	Confident	75 Å²	75	107.3 Å²	107.3	52%	0.524	50%	0.495	S	S	.	.	H	α-helix	trans	-62.3	-41.6	176.2	-171	0	0	0	0	112.1	F149 K155	F149-S151 VanDerWaalsContact C-N 3.26Å; F149-S151 PolarHBondContact O-N 2.73Å; F149-S151 VanDerWaalsContact O-N 3.12Å; S151-K155 WeakPolarHBondContact O-CG 3.32Å; S151-K155 PolarHBondContact O-N 2.86Å; S151-K155 VanDerWaalsContact O-N 3.17Å
152	Y	82.6	Confident	77.1	Confident	110 Å²	110	102.8 Å²	102.8	43%	0.431	49%	0.491	S	S	.	.	H	α-helix	trans	-71.3	-39.6	176.6	-59.6	-69.3	0	0	0	111.8	V84 F149 A150 Y154 K155 V156	V84-Y152 HydrophobicContact CG2-CD1 3.57Å; V84-Y152 HydrophobicContact CG2-CE1 3.96Å; F149-Y152 AromaticContact CD1-CD2 3.96Å; F149-Y152 HydrophobicContact CD1-CD2 3.96Å; F149-Y152 CarbonylContact O-C 3.52Å; F149-Y152 WeakPolarHBondContact O-CA 3.3Å; F149-Y152 WeakPolarHBondContact O-CB 3.41Å; F149-Y152 PolarHBondContact O-N 3.4Å; A150-Y152 VanDerWaalsContact C-N 3.34Å; A150-Y152 PolarHBondContact O-N 3.45Å; Y152-Y154 VanDerWaalsContact C-N 3.32Å; Y152-Y154 PolarHBondContact O-N 3.45Å; Y152-K155 WeakPolarHBondContact O-CB 3.22Å; Y152-K155 PolarHBondContact O-N 3.22Å; Y152-K155 VanDerWaalsContact O-N 3.13Å; Y152-V156 WeakPolarHBondContact O-CG2 3.29Å; Y152-V156 PolarHBondContact O-N 3.2Å
153	I	85.8	Confident	78.6	Confident	7 Å²	7	100.7 Å²	100.7	4%	0.036	49%	0.489	C	S	.	.	H	α-helix	trans	-55.2	-48.2	172.9	-61.4	164.8	0	0	0	110.4	W87 F149 A150 K155 V156 L157 M171 M174	W87-I153 HydrophobicContact CH2-CB 4.36Å; W87-I153 HydrophobicContact CH2-CD1 3.85Å; W87-I153 HydrophobicContact CH2-CG1 3.15Å; W87-I153 HydrophobicContact CZ2-CG1 4.48Å; W87-I153 HydrophobicContact CZ3-CB 3.99Å; W87-I153 HydrophobicContact CZ3-CD1 4.33Å; W87-I153 HydrophobicContact CZ3-CG1 3.19Å; F149-I153 HydrophobicContact CB-CD1 4.39Å; F149-I153 HydrophobicContact CB-CG1 4.46Å; F149-I153 WeakPolarHBondContact O-CG1 3.21Å; F149-I153 PolarHBondContact O-N 2.98Å; A150-I153 PolarHBondContact O-N 3.4Å; I153-K155 PolarHBondContact O-N 2.92Å; I153-V156 PolarHBondContact O-N 3.38Å; I153-L157 VanDerWaalsContact O-CB 3.29Å; I153-L157 WeakPolarHBondContact O-CB 3.43Å; I153-L157 PolarHBondContact O-N 3.41Å; I153-M171 HydrophobicContact CB-CE 4.17Å; I153-M171 HydrophobicContact CB-SD 3.83Å; I153-M171 HydrophobicContact CD1-SD 3.29Å; I153-M171 WeakPolarHBondContact CD1-SD 3.43Å; I153-M171 HydrophobicContact CG1-SD 4.06Å; I153-M171 HydrophobicContact CG2-CE 3.85Å; I153-M171 HydrophobicContact CG2-SD 3.83Å; I153-M174 HydrophobicContact CD1-CB 3.81Å
154	Y	86.5	Confident	80.1	Confident	106 Å²	106	95.8 Å²	95.8	42%	0.416	48%	0.475	S	S	.	.	H	α-helix	trans	-66.3	-35.3	178.6	-77.5	-62.1	0	0	0	113.3	A150 Y152 K158 I166 M171	A150-Y154 WeakPolarHBondContact O-CD2 3.2Å; A150-Y154 PolarHBondContact O-N 3.09Å; Y152-Y154 VanDerWaalsContact C-N 3.32Å; Y152-Y154 PolarHBondContact O-N 3.45Å; Y154-K158 WeakPolarHBondContact O-CG 3.3Å; Y154-K158 PolarHBondContact O-N 3.36Å; Y154-K158 VanDerWaalsContact O-N 3.11Å; Y154-I166 HydrophobicContact CD1-CG2 4.12Å; Y154-I166 HydrophobicContact CE1-CG2 3.42Å; Y154-I166 VanDerWaalsContact CE1-CG2 3.42Å; Y154-M171 HydrophobicContact CD1-CE 4.33Å; Y154-M171 HydrophobicContact CD2-CE 3.98Å; Y154-M171 HydrophobicContact CE1-CE 3.87Å; Y154-M171 HydrophobicContact CE2-CE 3.46Å; Y154-M171 VanDerWaalsContact CE2-CE 3.46Å; Y154-M171 HydrophobicContact CG-CE 4.37Å
155	K	87.2	Confident	81.6	Confident	110 Å²	110	94.5 Å²	94.5	48%	0.478	48%	0.476	S	S	.	.	H	α-helix	trans	-62.8	-46.1	175.4	-74.2	176.8	-179.3	-176.9	0	110.9	S151 Y152 I153 K158	S151-K155 WeakPolarHBondContact O-CG 3.32Å; S151-K155 PolarHBondContact O-N 2.86Å; S151-K155 VanDerWaalsContact O-N 3.17Å; Y152-K155 WeakPolarHBondContact O-CB 3.22Å; Y152-K155 PolarHBondContact O-N 3.22Å; Y152-K155 VanDerWaalsContact O-N 3.13Å; I153-K155 PolarHBondContact O-N 2.92Å; K155-K158 PolarHBondContact O-N 3.08Å
156	V	80.8	Confident	83	Confident	1 Å²	1	85.9 Å²	85.9	1%	0.006	45%	0.447	C	S	.	.	H	α-helix	trans	-65.5	-46	177.2	169.3	0	0	0	0	111.1	V84 W87 C88 V91 Y152 I153 K158 Q159 V160	V84-V156 HydrophobicContact CG1-CG2 4.12Å; W87-V156 HydrophobicContact CB-CG2 4.45Å; W87-V156 HydrophobicContact CE3-CG2 4.17Å; C88-V156 HydrophobicContact CB-CG1 4.26Å; C88-V156 HydrophobicContact CB-CG2 3.99Å; V91-V156 HydrophobicContact CB-CG1 3.79Å; V91-V156 HydrophobicContact CG1-CG1 3.78Å; V91-V156 HydrophobicContact CG2-CG1 4.38Å; Y152-V156 WeakPolarHBondContact O-CG2 3.29Å; Y152-V156 PolarHBondContact O-N 3.2Å; I153-V156 PolarHBondContact O-N 3.38Å; V156-K158 VanDerWaalsContact C-N 3.25Å; V156-K158 PolarHBondContact O-N 3.47Å; V156-Q159 WeakPolarHBondContact O-CB 3.44Å; V156-Q159 PolarHBondContact O-N 3.17Å; V156-V160 HydrophobicContact CG1-CG2 4.45Å; V156-V160 PolarHBondContact O-N 2.92Å
157	L	84	Confident	84.4	Confident	31 Å²	31	81.6 Å²	81.6	16%	0.162	44%	0.437	C	S	.	.	H	α-helix	trans	-57.9	-38.2	179.9	-176.4	63.4	0	0	0	112.2	I153 Q159 V160 H161 I166	I153-L157 VanDerWaalsContact O-CB 3.29Å; I153-L157 WeakPolarHBondContact O-CB 3.43Å; I153-L157 PolarHBondContact O-N 3.41Å; L157-Q159 VanDerWaalsContact C-N 3.27Å; L157-Q159 PolarHBondContact O-N 3.49Å; L157-V160 PolarHBondContact O-N 2.78Å; L157-H161 CarbonylContact O-C 3.56Å; L157-H161 PolarHBondContact O-N 2.88Å; L157-I166 HydrophobicContact CD2-CB 3.82Å; L157-I166 HydrophobicContact CD2-CG2 3.71Å
158	K	86.2	Confident	85.4	Confident	147 Å²	147	78.5 Å²	78.5	64%	0.639	43%	0.434	S	S	*	.	H	α-helix	trans	-66.3	-25.9	175.9	-77	-176.1	176.7	-171.3	0	114.2	Y154 K155 V156	Y154-K158 WeakPolarHBondContact O-CG 3.3Å; Y154-K158 PolarHBondContact O-N 3.36Å; Y154-K158 VanDerWaalsContact O-N 3.11Å; K155-K158 PolarHBondContact O-N 3.08Å; V156-K158 VanDerWaalsContact C-N 3.25Å; V156-K158 PolarHBondContact O-N 3.47Å
159	Q	84.7	Confident	85.8	Confident	150 Å²	150	82.1 Å²	82.1	70%	0.701	44%	0.442	S	S	*	.	H	α-helix	trans	-76.3	-33.7	173.9	-57.8	-59.1	-33.3	0	0	111.2	V156 L157	V156-Q159 WeakPolarHBondContact O-CB 3.44Å; V156-Q159 PolarHBondContact O-N 3.17Å; L157-Q159 VanDerWaalsContact C-N 3.27Å; L157-Q159 PolarHBondContact O-N 3.49Å
160	V	82.7	Confident	86.2	Confident	42 Å²	42	80.6 Å²	80.6	26%	0.255	44%	0.442	S	S	.	.	H	α-helix	trans	-84.1	-47.1	-178.1	-173.8	0	0	0	0	111.9	S92 V156 L157	S92-V160 VanDerWaalsContact OG-CG2 3.3Å; S92-V160 WeakPolarHBondContact OG-CG2 3.48Å; V156-V160 HydrophobicContact CG1-CG2 4.45Å; V156-V160 PolarHBondContact O-N 2.92Å; L157-V160 PolarHBondContact O-N 2.78Å
161	H	86.6	Confident	86.6	Confident	93 Å²	93	80.5 Å²	80.5	43%	0.431	44%	0.438	S	S	.	.			trans	-140.8	92.5	-178.4	-61.7	-56.8	0	0	0	110.2	L157 D163 T164	L157-H161 CarbonylContact O-C 3.56Å; L157-H161 PolarHBondContact O-N 2.88Å; H161-D163 PolarHBondContact O-N 3.07Å; H161-D163 VanDerWaalsContact O-N 3.16Å; H161-T164 PolarHBondContact O-N 3.26Å
162	P	87.3	Confident	86.7	Confident	98 Å²	98	80.6 Å²	80.6	64%	0.636	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.2	-179.3	23.5	-33.1	0	0	0	113.4
163	D	88.7	Confident	87	Confident	157 Å²	157	80.6 Å²	80.6	84%	0.84	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	1.3	-175	-54.4	-47	0	0	0	114	H161	H161-D163 PolarHBondContact O-N 3.07Å; H161-D163 VanDerWaalsContact O-N 3.16Å
164	T	88.3	Confident	87.2	Confident	80 Å²	80	82.6 Å²	82.6	49%	0.491	46%	0.455	S	S	.	.			trans	-105.9	130.9	-177.9	-59.2	0	0	0	0	111.8	H161	H161-T164 PolarHBondContact O-N 3.26Å
165	G	88.2	Confident	87.2	Confident	67 Å²	67	79 Å²	79	69%	0.691	44%	0.443	S	S	*	.			trans	-94	161.4	170	0	0	0	0	0	112.4
166	I	86.6	Confident	87.3	Confident	45 Å²	45	77.1 Å²	77.1	23%	0.231	44%	0.444	C	S	.	.			trans	-118.9	137.6	175.6	-172.7	173.4	0	0	0	110.8	Y154 L157 A170 M171 M174	Y154-I166 HydrophobicContact CD1-CG2 4.12Å; Y154-I166 HydrophobicContact CE1-CG2 3.42Å; Y154-I166 VanDerWaalsContact CE1-CG2 3.42Å; L157-I166 HydrophobicContact CD2-CB 3.82Å; L157-I166 HydrophobicContact CD2-CG2 3.71Å; I166-A170 HydrophobicContact CD1-CB 3.96Å; I166-A170 HydrophobicContact CG1-CB 3.6Å; I166-M171 HydrophobicContact CD1-CE 4.4Å; I166-M171 HydrophobicContact CG2-CE 3.4Å; I166-M174 HydrophobicContact CD1-CG 4Å
167	S	90.9	Very high	87.6	Confident	72 Å²	72	81 Å²	81	50%	0.503	46%	0.461	S	S	.	.			trans	-68.1	152.9	176.4	174.1	0	0	0	0	112.2	K169 A170 M171	S167-K169 VanDerWaalsContact C-N 3.25Å; S167-K169 PolarHBondContact O-N 3.14Å; S167-K169 PolarHBondContact OG-N 2.71Å; S167-A170 PolarHBondContact O-N 3.47Å; S167-M171 PolarHBondContact O-N 2.73Å
168	S	86.7	Confident	87.7	Confident	104 Å²	104	80 Å²	80	73%	0.727	46%	0.456	S	S	*	.	H	α-helix	trans	-59.6	-33.6	175.6	61.2	0	0	0	0	113.2	M171 S172	S168-M171 WeakPolarHBondContact O-CB 3.31Å; S168-S172 PolarHBondContact O-N 2.92Å
169	K	88.5	Confident	87.8	Confident	138 Å²	138	75.6 Å²	75.6	60%	0.6	44%	0.439	S	S	*	.	H	α-helix	trans	-69.2	-45.5	175.9	-172.7	177.3	-179.6	-177.9	0	111.3	S167 M171 S172 I173	S167-K169 VanDerWaalsContact C-N 3.25Å; S167-K169 PolarHBondContact O-N 3.14Å; S167-K169 PolarHBondContact OG-N 2.71Å; K169-M171 VanDerWaalsContact C-N 3.29Å; K169-M171 PolarHBondContact O-N 3.24Å; K169-S172 WeakPolarHBondContact O-CB 3.41Å; K169-S172 PolarHBondContact O-N 2.75Å; K169-S172 VanDerWaalsContact O-N 3.15Å; K169-I173 PolarHBondContact O-N 2.86Å
170	A	89.8	Confident	88	Confident	37 Å²	37	71.7 Å²	71.7	31%	0.306	42%	0.423	S	S	.	.	H	α-helix	trans	-63	-37.2	176.7	0	0	0	0	0	111.5	I166 S167 S172 I173 M174	I166-A170 HydrophobicContact CD1-CB 3.96Å; I166-A170 HydrophobicContact CG1-CB 3.6Å; S167-A170 PolarHBondContact O-N 3.47Å; A170-S172 VanDerWaalsContact C-N 3.29Å; A170-S172 PolarHBondContact O-N 2.69Å; A170-I173 PolarHBondContact O-N 2.79Å; A170-I173 VanDerWaalsContact O-N 3.14Å; A170-M174 WeakPolarHBondContact O-CG 3.47Å; A170-M174 PolarHBondContact O-N 3.07Å
171	M	89.3	Confident	88.2	Confident	21 Å²	21	71.2 Å²	71.2	10%	0.103	42%	0.421	C	S	.	.	H	α-helix	trans	-57.6	-40.3	173.3	-172.7	60.4	64.8	0	0	112.7	A150 I153 Y154 I166 S167 S168 K169 M174 N175	A150-M171 HydrophobicContact CB-CG 4.12Å; A150-M171 HydrophobicContact CB-SD 3.74Å; I153-M171 HydrophobicContact CB-CE 4.17Å; I153-M171 HydrophobicContact CB-SD 3.83Å; I153-M171 HydrophobicContact CD1-SD 3.29Å; I153-M171 WeakPolarHBondContact CD1-SD 3.43Å; I153-M171 HydrophobicContact CG1-SD 4.06Å; I153-M171 HydrophobicContact CG2-CE 3.85Å; I153-M171 HydrophobicContact CG2-SD 3.83Å; Y154-M171 HydrophobicContact CD1-CE 4.33Å; Y154-M171 HydrophobicContact CD2-CE 3.98Å; Y154-M171 HydrophobicContact CE1-CE 3.87Å; Y154-M171 HydrophobicContact CE2-CE 3.46Å; Y154-M171 VanDerWaalsContact CE2-CE 3.46Å; Y154-M171 HydrophobicContact CG-CE 4.37Å; I166-M171 HydrophobicContact CD1-CE 4.4Å; I166-M171 HydrophobicContact CG2-CE 3.4Å; S167-M171 PolarHBondContact O-N 2.73Å; S168-M171 WeakPolarHBondContact O-CB 3.31Å; K169-M171 VanDerWaalsContact C-N 3.29Å; K169-M171 PolarHBondContact O-N 3.24Å; M171-M174 PolarHBondContact O-N 3.2Å; M171-N175 WeakPolarHBondContact O-CB 3.48Å; M171-N175 PolarHBondContact O-N 3.04Å
172	S	88.2	Confident	88.1	Confident	77 Å²	77	70.5 Å²	70.5	54%	0.538	42%	0.416	S	S	.	.	H	α-helix	trans	-65.9	-38.7	177.2	-166.7	0	0	0	0	112.1	S168 K169 A170 N175 S176	S168-S172 PolarHBondContact O-N 2.92Å; K169-S172 WeakPolarHBondContact O-CB 3.41Å; K169-S172 PolarHBondContact O-N 2.75Å; K169-S172 VanDerWaalsContact O-N 3.15Å; A170-S172 VanDerWaalsContact C-N 3.29Å; A170-S172 PolarHBondContact O-N 2.69Å; S172-N175 PolarHBondContact O-N 3.48Å; S172-S176 PolarHBondContact O-N 3.35Å; S172-S176 VanDerWaalsContact O-N 3.12Å; S172-S176 PolarHBondContact O-OG 2.94Å
173	I	89.6	Confident	88.1	Confident	110 Å²	110	70.7 Å²	70.7	56%	0.564	41%	0.412	S	S	*	.	H	α-helix	trans	-66.3	-45	177.2	-62.3	170.2	0	0	0	110	K169 A170 N175 S176 F177	K169-I173 PolarHBondContact O-N 2.86Å; A170-I173 PolarHBondContact O-N 2.79Å; A170-I173 VanDerWaalsContact O-N 3.14Å; I173-N175 VanDerWaalsContact C-N 3.3Å; I173-N175 PolarHBondContact O-N 3.23Å; I173-S176 PolarHBondContact O-N 3.41Å; I173-F177 WeakPolarHBondContact O-CB 3.42Å; I173-F177 PolarHBondContact O-N 3.18Å
174	M	89.7	Confident	88.2	Confident	48 Å²	48	69.4 Å²	69.4	24%	0.236	40%	0.395	C	S	.	.	H	α-helix	trans	-61	-39.4	177	-69.8	-60.6	-67.4	0	0	112.2	V91 I153 I166 A170 M171 F177 V178	V91-M174 HydrophobicContact CG1-CE 4.12Å; V91-M174 HydrophobicContact CG2-CE 4.16Å; I153-M174 HydrophobicContact CD1-CB 3.81Å; I166-M174 HydrophobicContact CD1-CG 4Å; A170-M174 WeakPolarHBondContact O-CG 3.47Å; A170-M174 PolarHBondContact O-N 3.07Å; M171-M174 PolarHBondContact O-N 3.2Å; M174-F177 PolarHBondContact O-N 2.88Å; M174-V178 WeakPolarHBondContact O-CG2 3.22Å; M174-V178 PolarHBondContact O-N 3.49Å; M174-V178 VanDerWaalsContact O-N 3.09Å
175	N	87.8	Confident	88.2	Confident	30 Å²	30	67 Å²	67	16%	0.16	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-43.2	176.3	-166.2	74.5	0	0	0	111.9	S148 F149 M171 S172 I173 N179	S148-N175 VanDerWaalsContact CA-OD1 3.3Å; S148-N175 WeakPolarHBondContact CA-OD1 3.39Å; F149-N175 PolarHBondContact N-OD1 3.42Å; M171-N175 WeakPolarHBondContact O-CB 3.48Å; M171-N175 PolarHBondContact O-N 3.04Å; S172-N175 PolarHBondContact O-N 3.48Å; I173-N175 VanDerWaalsContact C-N 3.3Å; I173-N175 PolarHBondContact O-N 3.23Å; N175-N179 VanDerWaalsContact O-CG 3.31Å; N175-N179 PolarHBondContact O-N 2.87Å; N175-N179 PolarHBondContact O-ND2 3.38Å
176	S	88.5	Confident	88	Confident	71 Å²	71	65.6 Å²	65.6	50%	0.497	36%	0.361	S	S	.	.	H	α-helix	trans	-66.5	-39.8	175.3	-68.4	0	0	0	0	112.6	S172 I173 V178 N179 D180	S172-S176 PolarHBondContact O-N 3.35Å; S172-S176 VanDerWaalsContact O-N 3.12Å; S172-S176 PolarHBondContact O-OG 2.94Å; I173-S176 PolarHBondContact O-N 3.41Å; S176-V178 VanDerWaalsContact C-N 3.3Å; S176-V178 PolarHBondContact O-N 3.04Å; S176-N179 PolarHBondContact O-N 3.28Å; S176-D180 PolarHBondContact O-N 3.47Å
177	F	87.6	Confident	88.1	Confident	83 Å²	83	65.4 Å²	65.4	36%	0.364	37%	0.366	S	S	.	.	H	α-helix	trans	-59.2	-43.4	177.2	175.6	-111.6	0	0	0	111.6	I173 M174 D180 V181	I173-F177 WeakPolarHBondContact O-CB 3.42Å; I173-F177 PolarHBondContact O-N 3.18Å; M174-F177 PolarHBondContact O-N 2.88Å; F177-D180 PolarHBondContact O-N 3.48Å; F177-V181 HydrophobicContact CD2-CG2 4.36Å; F177-V181 HydrophobicContact CE1-CG2 4.2Å; F177-V181 HydrophobicContact CE2-CG2 3.9Å; F177-V181 HydrophobicContact CZ-CG2 3.82Å; F177-V181 WeakPolarHBondContact O-CG2 3.49Å; F177-V181 PolarHBondContact O-N 3.15Å
178	V	86.4	Confident	88	Confident	10 Å²	10	64.3 Å²	64.3	6%	0.061	35%	0.353	C	S	.	.	H	α-helix	trans	-67.1	-44	179.7	170.5	0	0	0	0	111.1	W87 F149 M174 S176 D180 V181 F182	W87-V178 HydrophobicContact CD2-CG2 4.27Å; W87-V178 VanDerWaalsContact CE2-CG1 3.43Å; W87-V178 HydrophobicContact CH2-CB 4.2Å; W87-V178 HydrophobicContact CH2-CG1 4.46Å; W87-V178 HydrophobicContact CH2-CG2 3.37Å; W87-V178 HydrophobicContact CZ2-CB 3.41Å; W87-V178 VanDerWaalsContact CZ2-CB 3.41Å; W87-V178 HydrophobicContact CZ2-CG1 3.29Å; W87-V178 HydrophobicContact CZ2-CG2 2.93Å; W87-V178 HydrophobicContact CZ3-CG2 4.21Å; F149-V178 HydrophobicContact CD2-CG1 4.37Å; M174-V178 WeakPolarHBondContact O-CG2 3.22Å; M174-V178 PolarHBondContact O-N 3.49Å; M174-V178 VanDerWaalsContact O-N 3.09Å; S176-V178 VanDerWaalsContact C-N 3.3Å; S176-V178 PolarHBondContact O-N 3.04Å; V178-D180 VanDerWaalsContact C-N 3.26Å; V178-D180 PolarHBondContact O-N 3.31Å; V178-V181 PolarHBondContact O-N 3.42Å; V178-F182 VanDerWaalsContact O-CB 3.28Å; V178-F182 WeakPolarHBondContact O-CB 3.36Å; V178-F182 PolarHBondContact O-N 3.02Å
179	N	87.6	Confident	87.8	Confident	55 Å²	55	59.4 Å²	59.4	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-59.1	-42.3	178.7	-68.9	-22	0	0	0	110.8	F149 N175 S176 V181 F182 D183	F149-N179 VanDerWaalsContact CE2-OD1 3.3Å; F149-N179 WeakPolarHBondContact CE2-OD1 3.39Å; N175-N179 VanDerWaalsContact O-CG 3.31Å; N175-N179 PolarHBondContact O-N 2.87Å; N175-N179 PolarHBondContact O-ND2 3.38Å; S176-N179 PolarHBondContact O-N 3.28Å; N179-V181 PolarHBondContact O-N 3.24Å; N179-F182 PolarHBondContact O-N 3.43Å; N179-D183 WeakPolarHBondContact O-CB 3.38Å; N179-D183 VanDerWaalsContact O-CG 3.3Å; N179-D183 PolarHBondContact O-N 3.12Å
180	D	88.3	Confident	87.6	Confident	68 Å²	68	56 Å²	56	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-61	-44.6	175.5	179.7	66.8	0	0	0	112.2	S176 F177 V178 R184	S176-D180 PolarHBondContact O-N 3.47Å; F177-D180 PolarHBondContact O-N 3.48Å; V178-D180 VanDerWaalsContact C-N 3.26Å; V178-D180 PolarHBondContact O-N 3.31Å; D180-R184 VanDerWaalsContact CG-NE 3.26Å; D180-R184 WeakPolarHBondContact O-CB 3.29Å; D180-R184 WeakPolarHBondContact O-CG 3.4Å; D180-R184 PolarHBondContact O-N 3.42Å; D180-R184 IonicContact OD1-CZ 2.94Å; D180-R184 IonicContact OD1-NE 3.45Å; D180-R184 PolarHBondContact OD1-NE 2.88Å; D180-R184 VanDerWaalsContact OD1-NE 3.1Å; D180-R184 IonicContact OD1-NH2 3.41Å; D180-R184 PolarHBondContact OD1-NH2 3.24Å; D180-R184 IonicContact OD2-CZ 2.7Å; D180-R184 IonicContact OD2-NE 3.55Å; D180-R184 PolarHBondContact OD2-NE 3.44Å; D180-R184 IonicContact OD2-NH2 3.92Å; D180-R184 PolarHBondContact OD2-NH2 3.39Å
181	V	86.8	Confident	87.6	Confident	32 Å²	32	60.5 Å²	60.5	19%	0.194	32%	0.322	C	S	.	.	H	α-helix	trans	-66.1	-42.2	177.6	173.7	0	0	0	0	111.6	F177 V178 N179 R184 I185	F177-V181 HydrophobicContact CD2-CG2 4.36Å; F177-V181 HydrophobicContact CE1-CG2 4.2Å; F177-V181 HydrophobicContact CE2-CG2 3.9Å; F177-V181 HydrophobicContact CZ-CG2 3.82Å; F177-V181 WeakPolarHBondContact O-CG2 3.49Å; F177-V181 PolarHBondContact O-N 3.15Å; V178-V181 PolarHBondContact O-N 3.42Å; N179-V181 PolarHBondContact O-N 3.24Å; V181-R184 PolarHBondContact O-N 2.86Å; V181-I185 HydrophobicContact CG1-CD1 3.79Å; V181-I185 HydrophobicContact CG1-CG1 4.47Å; V181-I185 WeakPolarHBondContact O-CG1 3.3Å; V181-I185 PolarHBondContact O-N 3.48Å
182	F	85.5	Confident	87.4	Confident	78 Å²	78	61.1 Å²	61.1	34%	0.342	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-48.3	178.7	174.8	-96	0	0	0	111.3	I79 V178 N179 R184 I185 A186	I79-F182 HydrophobicContact CD1-CE2 3.68Å; I79-F182 HydrophobicContact CD1-CZ 3.51Å; I79-F182 HydrophobicContact CG1-CE2 3.89Å; I79-F182 HydrophobicContact CG1-CZ 4.26Å; I79-F182 HydrophobicContact CG2-CE2 3.84Å; I79-F182 HydrophobicContact CG2-CZ 4.39Å; V178-F182 VanDerWaalsContact O-CB 3.28Å; V178-F182 WeakPolarHBondContact O-CB 3.36Å; V178-F182 PolarHBondContact O-N 3.02Å; N179-F182 PolarHBondContact O-N 3.43Å; F182-R184 VanDerWaalsContact C-N 3.32Å; F182-R184 PolarHBondContact O-N 2.95Å; F182-I185 PolarHBondContact O-N 3.31Å; F182-A186 WeakPolarHBondContact O-CB 3.49Å; F182-A186 PolarHBondContact O-N 2.96Å
183	D	87.7	Confident	87	Confident	101 Å²	101	57.7 Å²	57.7	54%	0.54	30%	0.301	S	S	.	.	H	α-helix	trans	-63.4	-38.7	178.9	-72.7	-19.6	0	0	0	111.4	N179 A186 A187	N179-D183 WeakPolarHBondContact O-CB 3.38Å; N179-D183 VanDerWaalsContact O-CG 3.3Å; N179-D183 PolarHBondContact O-N 3.12Å; D183-A186 PolarHBondContact O-N 3.49Å; D183-A187 VanDerWaalsContact O-CB 3.29Å; D183-A187 WeakPolarHBondContact O-CB 3.28Å; D183-A187 PolarHBondContact O-N 3.01Å
184	R	90.2	Very high	86.9	Confident	131 Å²	131	59 Å²	59	49%	0.494	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-47.5	174.4	-73.7	170.7	-168.3	-77.4	-12.1	112.2	D180 V181 F182 A187 E188 L213	D180-R184 VanDerWaalsContact CG-NE 3.26Å; D180-R184 WeakPolarHBondContact O-CB 3.29Å; D180-R184 WeakPolarHBondContact O-CG 3.4Å; D180-R184 PolarHBondContact O-N 3.42Å; D180-R184 IonicContact OD1-CZ 2.94Å; D180-R184 IonicContact OD1-NE 3.45Å; D180-R184 PolarHBondContact OD1-NE 2.88Å; D180-R184 VanDerWaalsContact OD1-NE 3.1Å; D180-R184 IonicContact OD1-NH2 3.41Å; D180-R184 PolarHBondContact OD1-NH2 3.24Å; D180-R184 IonicContact OD2-CZ 2.7Å; D180-R184 IonicContact OD2-NE 3.55Å; D180-R184 PolarHBondContact OD2-NE 3.44Å; D180-R184 IonicContact OD2-NH2 3.92Å; D180-R184 PolarHBondContact OD2-NH2 3.39Å; V181-R184 PolarHBondContact O-N 2.86Å; F182-R184 VanDerWaalsContact C-N 3.32Å; F182-R184 PolarHBondContact O-N 2.95Å; R184-A187 PolarHBondContact O-N 3.41Å; R184-E188 PolarHBondContact O-N 3.04Å; R184-L213 HydrophobicContact CB-CD1 4.09Å; R184-L213 HydrophobicContact CB-CD2 4.29Å
185	I	87.3	Confident	87	Confident	28 Å²	28	64.8 Å²	64.8	14%	0.144	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-44.2	179	-66.8	166.9	0	0	0	110.5	V181 F182 A187 E188 A189 I206 A209 V210 L213	V181-I185 HydrophobicContact CG1-CD1 3.79Å; V181-I185 HydrophobicContact CG1-CG1 4.47Å; V181-I185 WeakPolarHBondContact O-CG1 3.3Å; V181-I185 PolarHBondContact O-N 3.48Å; F182-I185 PolarHBondContact O-N 3.31Å; I185-A187 VanDerWaalsContact C-N 3.35Å; I185-A187 PolarHBondContact O-N 3Å; I185-E188 PolarHBondContact O-N 3.49Å; I185-A189 VanDerWaalsContact O-CB 3.23Å; I185-A189 WeakPolarHBondContact O-CB 3.45Å; I185-A189 PolarHBondContact O-N 3.48Å; I185-I206 HydrophobicContact CG2-CD1 4.19Å; I185-I206 HydrophobicContact CG2-CG2 4.3Å; I185-A209 HydrophobicContact CG2-CB 4.46Å; I185-V210 HydrophobicContact CD1-CG2 4.35Å; I185-L213 HydrophobicContact CB-CD1 4.16Å; I185-L213 HydrophobicContact CG1-CD1 3.51Å
186	A	85	Confident	87	Confident	39 Å²	39	67.6 Å²	67.6	32%	0.322	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-42.3	178.9	0	0	0	0	0	111.8	F182 D183 S190	F182-A186 WeakPolarHBondContact O-CB 3.49Å; F182-A186 PolarHBondContact O-N 2.96Å; D183-A186 PolarHBondContact O-N 3.49Å; A186-S190 VanDerWaalsContact O-CB 3.27Å; A186-S190 WeakPolarHBondContact O-CB 3.45Å; A186-S190 PolarHBondContact O-N 3.36Å
187	A	88.1	Confident	86.9	Confident	41 Å²	41	70.9 Å²	70.9	34%	0.339	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-47.5	176.8	0	0	0	0	0	112.1	D183 R184 I185 S190 R191	D183-A187 VanDerWaalsContact O-CB 3.29Å; D183-A187 WeakPolarHBondContact O-CB 3.28Å; D183-A187 PolarHBondContact O-N 3.01Å; R184-A187 PolarHBondContact O-N 3.41Å; I185-A187 VanDerWaalsContact C-N 3.35Å; I185-A187 PolarHBondContact O-N 3Å; A187-S190 PolarHBondContact O-N 3.41Å; A187-R191 WeakPolarHBondContact O-CG 3.24Å; A187-R191 PolarHBondContact O-N 3.44Å
188	E	89	Confident	86.4	Confident	49 Å²	49	73.6 Å²	73.6	23%	0.229	36%	0.36	C	S	.	.	H	α-helix	trans	-66	-41.9	177.9	-69.6	-53.9	152.6	0	0	112.3	R184 I185 S190 R191 L192 A209 L213	R184-E188 PolarHBondContact O-N 3.04Å; I185-E188 PolarHBondContact O-N 3.49Å; E188-S190 VanDerWaalsContact C-N 3.33Å; E188-S190 PolarHBondContact O-N 3.2Å; E188-R191 PolarHBondContact O-N 3.19Å; E188-R191 IonicContact OE1-CZ 3.87Å; E188-R191 IonicContact OE1-NH1 2.69Å; E188-R191 PolarHBondContact OE1-NH1 3.38Å; E188-R191 IonicContact OE2-NH1 3.56Å; E188-L192 WeakPolarHBondContact O-CG 3.39Å; E188-L192 PolarHBondContact O-N 2.95Å; E188-A209 HydrophobicContact CB-CB 3.83Å; E188-L213 HydrophobicContact CB-CD1 4.49Å; E188-L213 HydrophobicContact CG-CD1 4.12Å; E188-L213 HydrophobicContact CG-CD2 3.94Å; E188-L213 HydrophobicContact CG-CG 4.06Å
189	A	83	Confident	85.9	Confident	0 Å²	0	81.9 Å²	81.9	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-64.7	-38	177.2	0	0	0	0	0	112.2	I185 L192 A193 I201 E205 I206 A209	I185-A189 VanDerWaalsContact O-CB 3.23Å; I185-A189 WeakPolarHBondContact O-CB 3.45Å; I185-A189 PolarHBondContact O-N 3.48Å; A189-L192 PolarHBondContact O-N 3.37Å; A189-A193 WeakPolarHBondContact O-CB 3.42Å; A189-A193 PolarHBondContact O-N 3.04Å; A189-I201 HydrophobicContact CB-CG2 4.07Å; A189-E205 HydrophobicContact CB-CB 4.45Å; A189-I206 HydrophobicContact CB-CD1 3.53Å; A189-I206 HydrophobicContact CB-CG1 4.39Å; A189-A209 HydrophobicContact CB-CB 4.16Å
190	S	84.2	Confident	85.6	Confident	68 Å²	68	83.5 Å²	83.5	48%	0.476	41%	0.41	S	S	.	.	H	α-helix	trans	-64.1	-39.3	173.8	-174.7	0	0	0	0	111.9	A186 A187 E188 H194	A186-S190 VanDerWaalsContact O-CB 3.27Å; A186-S190 WeakPolarHBondContact O-CB 3.45Å; A186-S190 PolarHBondContact O-N 3.36Å; A187-S190 PolarHBondContact O-N 3.41Å; E188-S190 VanDerWaalsContact C-N 3.33Å; E188-S190 PolarHBondContact O-N 3.2Å; S190-H194 WeakPolarHBondContact O-CB 3.25Å; S190-H194 PolarHBondContact O-N 3.42Å; S190-H194 VanDerWaalsContact O-N 3.08Å
191	R	89.1	Confident	85	Confident	130 Å²	130	82.5 Å²	82.5	49%	0.491	40%	0.404	S	S	.	.	H	α-helix	trans	-63.8	-45.9	175.2	-71.5	172.5	-174	158	2.4	111.2	A187 E188 A193 H194 Y195	A187-R191 WeakPolarHBondContact O-CG 3.24Å; A187-R191 PolarHBondContact O-N 3.44Å; E188-R191 PolarHBondContact O-N 3.19Å; E188-R191 IonicContact OE1-CZ 3.87Å; E188-R191 IonicContact OE1-NH1 2.69Å; E188-R191 PolarHBondContact OE1-NH1 3.38Å; E188-R191 IonicContact OE2-NH1 3.56Å; R191-A193 PolarHBondContact O-N 3.31Å; R191-H194 PolarHBondContact O-N 3.01Å; R191-H194 VanDerWaalsContact O-N 3.16Å; R191-Y195 HydrophobicContact CB-CE2 4.26Å; R191-Y195 VanDerWaalsContact O-CD2 3.23Å; R191-Y195 WeakPolarHBondContact O-CD2 3.34Å; R191-Y195 PolarHBondContact O-N 3.12Å
192	L	86.5	Confident	84.8	Confident	35 Å²	35	83.2 Å²	83.2	18%	0.183	41%	0.41	C	S	.	.	H	α-helix	trans	-62.3	-39.7	177.5	-69.2	173.5	0	0	0	113.1	E188 A189 H194 Y195 N196 E205 T208 A209 L212	E188-L192 WeakPolarHBondContact O-CG 3.39Å; E188-L192 PolarHBondContact O-N 2.95Å; A189-L192 PolarHBondContact O-N 3.37Å; L192-H194 VanDerWaalsContact C-N 3.32Å; L192-Y195 HydrophobicContact CD2-CD2 4.34Å; L192-Y195 PolarHBondContact O-N 2.74Å; L192-N196 PolarHBondContact O-N 3.36Å; L192-E205 HydrophobicContact CB-CB 4.34Å; L192-E205 HydrophobicContact CB-CG 4.11Å; L192-T208 HydrophobicContact CD1-CG2 3.86Å; L192-A209 HydrophobicContact CD1-CB 4.24Å; L192-L212 HydrophobicContact CD1-CD1 4.26Å; L192-L212 HydrophobicContact CD2-CD1 4.49Å
193	A	79.8	Confident	84.7	Confident	4 Å²	4	81.7 Å²	81.7	3%	0.033	41%	0.409	C	S	.	.	H	α-helix	trans	-63	-41.2	174.2	0	0	0	0	0	111.4	A189 R191 N196 N197 R198 I201 E205	A189-A193 WeakPolarHBondContact O-CB 3.42Å; A189-A193 PolarHBondContact O-N 3.04Å; R191-A193 PolarHBondContact O-N 3.31Å; A193-N196 PolarHBondContact O-N 3.22Å; A193-N197 PolarHBondContact O-N 2.81Å; A193-R198 CarbonylContact C-O 3.45Å; A193-R198 PolarHBondContact O-N 3.39Å; A193-R198 VanDerWaalsContact O-O 3.1Å; A193-I201 HydrophobicContact CB-CG1 4.15Å; A193-E205 HydrophobicContact CB-CG 4.28Å
194	H	86.9	Confident	84.6	Confident	138 Å²	138	85.3 Å²	85.3	64%	0.639	42%	0.415	S	S	*	.	H	α-helix	trans	-66.7	-38.3	179.1	-161.2	62.6	0	0	0	112.7	S190 R191 L192 N196 N197	S190-H194 WeakPolarHBondContact O-CB 3.25Å; S190-H194 PolarHBondContact O-N 3.42Å; S190-H194 VanDerWaalsContact O-N 3.08Å; R191-H194 PolarHBondContact O-N 3.01Å; R191-H194 VanDerWaalsContact O-N 3.16Å; L192-H194 VanDerWaalsContact C-N 3.32Å; H194-N196 PolarHBondContact O-N 3.3Å; H194-N197 PolarHBondContact O-N 3.29Å
195	Y	91.5	Very high	84.2	Confident	170 Å²	170	79.3 Å²	79.3	67%	0.667	39%	0.393	S	S	*	.	H	α-helix	trans	-60.3	-31.9	174.2	-67	-45.7	0	0	0	113.2	R191 L192 N197	R191-Y195 HydrophobicContact CB-CE2 4.26Å; R191-Y195 VanDerWaalsContact O-CD2 3.23Å; R191-Y195 WeakPolarHBondContact O-CD2 3.34Å; R191-Y195 PolarHBondContact O-N 3.12Å; L192-Y195 HydrophobicContact CD2-CD2 4.34Å; L192-Y195 PolarHBondContact O-N 2.74Å; Y195-N197 VanDerWaalsContact C-N 3.27Å; Y195-N197 PolarHBondContact O-N 3.4Å
196	N	87.4	Confident	84.1	Confident	88 Å²	88	79.2 Å²	79.2	47%	0.471	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	6.5	176.7	-71.3	-19.8	0	0	0	113.4	L192 A193 H194 R198	L192-N196 PolarHBondContact O-N 3.36Å; A193-N196 PolarHBondContact O-N 3.22Å; H194-N196 PolarHBondContact O-N 3.3Å; N196-R198 HydrophobicContact CB-CG 4.23Å; N196-R198 PolarHBondContact O-N 2.8Å; N196-R198 VanDerWaalsContact O-N 3.15Å
197	N	86.8	Confident	84.3	Confident	140 Å²	140	79.5 Å²	79.5	75%	0.749	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	26.5	-172.1	-56	-65.7	0	0	0	113.4	A193 H194 Y195	A193-N197 PolarHBondContact O-N 2.81Å; H194-N197 PolarHBondContact O-N 3.29Å; Y195-N197 VanDerWaalsContact C-N 3.27Å; Y195-N197 PolarHBondContact O-N 3.4Å
198	R	77.3	Confident	84.4	Confident	141 Å²	141	79.8 Å²	79.8	53%	0.532	39%	0.385	S	S	.	.			trans	-99.5	140.8	177.7	-68.7	-170.4	177.3	125.5	3.9	110.1	A193 N196	A193-R198 CarbonylContact C-O 3.45Å; A193-R198 PolarHBondContact O-N 3.39Å; A193-R198 VanDerWaalsContact O-O 3.1Å; N196-R198 HydrophobicContact CB-CG 4.23Å; N196-R198 PolarHBondContact O-N 2.8Å; N196-R198 VanDerWaalsContact O-N 3.15Å
199	H	76.8	Confident	84.3	Confident	183 Å²	183	77.5 Å²	77.5	85%	0.847	37%	0.374	S	S	*	.	S	Bend	trans	-97.4	-7.9	175.5	-59.8	10.4	0	0	0	111.9
200	T	79.9	Confident	84.5	Confident	89 Å²	89	78.3 Å²	78.3	55%	0.546	38%	0.379	S	S	.	.	S	Bend	trans	-107.5	119.6	178.7	-51.9	0	0	0	0	108.4
201	I	77.1	Confident	84.8	Confident	48 Å²	48	81.4 Å²	81.4	25%	0.246	38%	0.38	C	S	.	.			trans	-73.9	129.4	169.3	-53	178.6	0	0	0	106.5	L78 A189 A193 E205 I206	L78-I201 HydrophobicContact CD1-CB 3.82Å; L78-I201 HydrophobicContact CD1-CG2 3.52Å; L78-I201 WeakPolarHBondContact CD1-O 3.3Å; A189-I201 HydrophobicContact CB-CG2 4.07Å; A193-I201 HydrophobicContact CB-CG1 4.15Å; I201-E205 HydrophobicContact CG2-CB 3.93Å; I201-I206 HydrophobicContact CG2-CD1 4.05Å; I201-I206 HydrophobicContact CG2-CG1 3.99Å
202	S	81.4	Confident	85	Confident	47 Å²	47	80.5 Å²	80.5	33%	0.329	39%	0.385	S	S	.	.			trans	-107.6	169.3	171.7	83.5	0	0	0	0	110.5	L78 R204 E205 I206	L78-S202 VanDerWaalsContact CD1-C 3.41Å; L78-S202 WeakPolarHBondContact CD1-O 3.32Å; S202-R204 PolarHBondContact O-N 2.89Å; S202-R204 WeakPolarHBondContact OG-CB 3.44Å; S202-R204 PolarHBondContact OG-N 2.76Å; S202-E205 VanDerWaalsContact CA-OE2 3.24Å; S202-E205 WeakPolarHBondContact CA-OE2 3.15Å; S202-E205 WeakPolarHBondContact CB-OE2 3.39Å; S202-E205 PolarHBondContact N-OE2 3.31Å; S202-E205 PolarHBondContact O-N 3.07Å; S202-E205 VanDerWaalsContact O-N 3.1Å; S202-E205 PolarHBondContact OG-OE2 3.42Å; S202-I206 PolarHBondContact O-N 3.1Å
203	S	82.9	Confident	85.1	Confident	45 Å²	45	81.8 Å²	81.8	32%	0.315	39%	0.391	S	S	.	.	H	α-helix	trans	-57.5	-23.8	177	58.2	0	0	0	0	112.2	Q207	S203-Q207 WeakPolarHBondContact O-CB 3.36Å; S203-Q207 VanDerWaalsContact O-CG 3.25Å; S203-Q207 WeakPolarHBondContact O-CG 3.39Å; S203-Q207 PolarHBondContact O-N 2.98Å
204	R	85.9	Confident	85.5	Confident	177 Å²	177	83.9 Å²	83.9	67%	0.668	40%	0.401	S	S	*	.	H	α-helix	trans	-66.6	-43.7	176	-175.5	176.8	-74.5	-112.7	-0.2	112.5	S202 I206 T208	S202-R204 PolarHBondContact O-N 2.89Å; S202-R204 WeakPolarHBondContact OG-CB 3.44Å; S202-R204 PolarHBondContact OG-N 2.76Å; R204-I206 VanDerWaalsContact C-N 3.34Å; R204-T208 WeakPolarHBondContact O-CB 3.19Å; R204-T208 PolarHBondContact O-N 2.74Å; R204-T208 PolarHBondContact O-OG1 2.69Å
205	E	83.2	Confident	85.6	Confident	5 Å²	5	81.8 Å²	81.8	2%	0.023	40%	0.4	C	S	.	.	H	α-helix	trans	-65.5	-40.2	177.7	-72.7	73.6	-155.5	0	0	110.7	A189 L192 A193 I201 S202 T208 A209	A189-E205 HydrophobicContact CB-CB 4.45Å; L192-E205 HydrophobicContact CB-CB 4.34Å; L192-E205 HydrophobicContact CB-CG 4.11Å; A193-E205 HydrophobicContact CB-CG 4.28Å; I201-E205 HydrophobicContact CG2-CB 3.93Å; S202-E205 VanDerWaalsContact CA-OE2 3.24Å; S202-E205 WeakPolarHBondContact CA-OE2 3.15Å; S202-E205 WeakPolarHBondContact CB-OE2 3.39Å; S202-E205 PolarHBondContact N-OE2 3.31Å; S202-E205 PolarHBondContact O-N 3.07Å; S202-E205 VanDerWaalsContact O-N 3.1Å; S202-E205 PolarHBondContact OG-OE2 3.42Å; E205-T208 PolarHBondContact O-N 3.43Å; E205-A209 WeakPolarHBondContact O-CB 3.42Å; E205-A209 PolarHBondContact O-N 3.27Å
206	I	84.7	Confident	85.3	Confident	26 Å²	26	76 Å²	76	13%	0.133	39%	0.392	C	S	.	.	H	α-helix	trans	-65.4	-48.2	176.6	-60.7	-71.2	0	0	0	111.5	L78 I185 A189 I201 S202 R204 T208 A209 V210	L78-I206 HydrophobicContact CD1-CG1 3.93Å; L78-I206 HydrophobicContact CD2-CG1 4.22Å; I185-I206 HydrophobicContact CG2-CD1 4.19Å; I185-I206 HydrophobicContact CG2-CG2 4.3Å; A189-I206 HydrophobicContact CB-CD1 3.53Å; A189-I206 HydrophobicContact CB-CG1 4.39Å; I201-I206 HydrophobicContact CG2-CD1 4.05Å; I201-I206 HydrophobicContact CG2-CG1 3.99Å; S202-I206 PolarHBondContact O-N 3.1Å; R204-I206 VanDerWaalsContact C-N 3.34Å; I206-T208 PolarHBondContact O-N 3.1Å; I206-A209 PolarHBondContact O-N 2.9Å; I206-V210 WeakPolarHBondContact O-CG2 3.42Å; I206-V210 PolarHBondContact O-N 3.47Å
207	Q	89	Confident	85.2	Confident	45 Å²	45	76.6 Å²	76.6	21%	0.21	39%	0.392	C	S	.	.	H	α-helix	trans	-59.3	-37.7	177.3	-75.3	177.5	33.7	0	0	112.2	S203 R211	S203-Q207 WeakPolarHBondContact O-CB 3.36Å; S203-Q207 VanDerWaalsContact O-CG 3.25Å; S203-Q207 WeakPolarHBondContact O-CG 3.39Å; S203-Q207 PolarHBondContact O-N 2.98Å; Q207-R211 WeakPolarHBondContact O-CG 3.48Å; Q207-R211 PolarHBondContact O-N 3Å
208	T	89.9	Confident	85.1	Confident	48 Å²	48	72.7 Å²	72.7	29%	0.294	37%	0.371	S	S	.	.	H	α-helix	trans	-71.2	-43.2	177.6	-51.8	0	0	0	0	110.9	L192 R204 E205 I206 V210 R211 L212	L192-T208 HydrophobicContact CD1-CG2 3.86Å; R204-T208 WeakPolarHBondContact O-CB 3.19Å; R204-T208 PolarHBondContact O-N 2.74Å; R204-T208 PolarHBondContact O-OG1 2.69Å; E205-T208 PolarHBondContact O-N 3.43Å; I206-T208 PolarHBondContact O-N 3.1Å; T208-V210 VanDerWaalsContact C-N 3.31Å; T208-V210 PolarHBondContact O-N 3.4Å; T208-R211 WeakPolarHBondContact O-CB 3.41Å; T208-R211 PolarHBondContact O-N 3.2Å; T208-R211 VanDerWaalsContact O-N 3.11Å; T208-L212 WeakPolarHBondContact O-CG 3.33Å; T208-L212 PolarHBondContact O-N 3.38Å
209	A	87.6	Confident	85.6	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-57.7	-41.8	175.2	0	0	0	0	0	112.4	I185 E188 A189 L192 E205 I206 R211 L212 L213	I185-A209 HydrophobicContact CG2-CB 4.46Å; E188-A209 HydrophobicContact CB-CB 3.83Å; A189-A209 HydrophobicContact CB-CB 4.16Å; L192-A209 HydrophobicContact CD1-CB 4.24Å; E205-A209 WeakPolarHBondContact O-CB 3.42Å; E205-A209 PolarHBondContact O-N 3.27Å; I206-A209 PolarHBondContact O-N 2.9Å; A209-R211 VanDerWaalsContact C-N 3.31Å; A209-R211 PolarHBondContact O-N 3.04Å; A209-L212 PolarHBondContact O-N 2.96Å; A209-L212 VanDerWaalsContact O-N 3.12Å; A209-L213 WeakPolarHBondContact O-CG 3.49Å; A209-L213 PolarHBondContact O-N 3Å
210	V	87	Confident	86.1	Confident	17 Å²	17	64 Å²	64	10%	0.103	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-38.8	176.4	171.6	0	0	0	0	111.9	I185 I206 T208 L212 L213 L214 A222 V223	I185-V210 HydrophobicContact CD1-CG2 4.35Å; I206-V210 WeakPolarHBondContact O-CG2 3.42Å; I206-V210 PolarHBondContact O-N 3.47Å; T208-V210 VanDerWaalsContact C-N 3.31Å; T208-V210 PolarHBondContact O-N 3.4Å; V210-L212 VanDerWaalsContact C-N 3.28Å; V210-L212 PolarHBondContact O-N 2.84Å; V210-L213 PolarHBondContact O-N 3.49Å; V210-L214 HydrophobicContact CG1-CD1 3.88Å; V210-L214 HydrophobicContact CG1-CG 4.44Å; V210-L214 WeakPolarHBondContact O-CB 3.47Å; V210-L214 PolarHBondContact O-N 3.1Å; V210-A222 HydrophobicContact CG1-CB 3.65Å; V210-V223 HydrophobicContact CG1-CG2 4.38Å
211	R	91.1	Very high	86.3	Confident	134 Å²	134	64 Å²	64	51%	0.506	33%	0.33	S	S	.	.	H	α-helix	trans	-68.9	-24.9	176.6	-66.9	172.3	-172	153.4	3.8	113.3	Q207 T208 A209 V223	Q207-R211 WeakPolarHBondContact O-CG 3.48Å; Q207-R211 PolarHBondContact O-N 3Å; T208-R211 WeakPolarHBondContact O-CB 3.41Å; T208-R211 PolarHBondContact O-N 3.2Å; T208-R211 VanDerWaalsContact O-N 3.11Å; A209-R211 VanDerWaalsContact C-N 3.31Å; A209-R211 PolarHBondContact O-N 3.04Å; R211-V223 HydrophobicContact CG-CG2 3.97Å
212	L	91.6	Very high	86.7	Confident	111 Å²	111	62.1 Å²	62.1	58%	0.581	32%	0.322	S	S	*	.	H	α-helix	trans	-81.2	-36.3	176	-63.9	175.2	0	0	0	112	L192 T208 A209 V210	L192-L212 HydrophobicContact CD1-CD1 4.26Å; L192-L212 HydrophobicContact CD2-CD1 4.49Å; T208-L212 WeakPolarHBondContact O-CG 3.33Å; T208-L212 PolarHBondContact O-N 3.38Å; A209-L212 PolarHBondContact O-N 2.96Å; A209-L212 VanDerWaalsContact O-N 3.12Å; V210-L212 VanDerWaalsContact C-N 3.28Å; V210-L212 PolarHBondContact O-N 2.84Å
213	L	89.9	Confident	86.8	Confident	62 Å²	62	60.8 Å²	60.8	33%	0.325	31%	0.312	S	S	.	.	H	α-helix	trans	-84.6	-34.1	-175.6	-70.6	170.1	0	0	0	113.5	R184 I185 E188 A209 V210	R184-L213 HydrophobicContact CB-CD1 4.09Å; R184-L213 HydrophobicContact CB-CD2 4.29Å; I185-L213 HydrophobicContact CB-CD1 4.16Å; I185-L213 HydrophobicContact CG1-CD1 3.51Å; E188-L213 HydrophobicContact CB-CD1 4.49Å; E188-L213 HydrophobicContact CG-CD1 4.12Å; E188-L213 HydrophobicContact CG-CD2 3.94Å; E188-L213 HydrophobicContact CG-CG 4.06Å; A209-L213 WeakPolarHBondContact O-CG 3.49Å; A209-L213 PolarHBondContact O-N 3Å; V210-L213 PolarHBondContact O-N 3.49Å
214	L	87.8	Confident	86.9	Confident	47 Å²	47	61.2 Å²	61.2	25%	0.246	32%	0.315	C	S	.	.	S	Bend	trans	-104.1	136.9	-175.7	-60.8	-177.6	0	0	0	111.4	V210 L218 S219 A222	V210-L214 HydrophobicContact CG1-CD1 3.88Å; V210-L214 HydrophobicContact CG1-CG 4.44Å; V210-L214 WeakPolarHBondContact O-CB 3.47Å; V210-L214 PolarHBondContact O-N 3.1Å; L214-L218 HydrophobicContact CB-CB 4.32Å; L214-S219 WeakPolarHBondContact O-CB 2.99Å; L214-A222 HydrophobicContact CD1-CB 4.02Å
215	P	89	Confident	86.8	Confident	94 Å²	94	54.7 Å²	54.7	61%	0.61	29%	0.292	S	S	*	.			trans	-75.6	145.1	176.3	30.6	-34.4	0	0	0	111.8	E217 L218 S219	P215-E217 PolarHBondContact O-N 3.12Å; P215-L218 PolarHBondContact O-N 3.43Å; P215-L218 VanDerWaalsContact O-N 3.15Å; P215-S219 PolarHBondContact O-N 3.22Å
216	G	85.9	Confident	86.7	Confident	49 Å²	49	55 Å²	55	51%	0.505	30%	0.296	S	S	.	.	H	α-helix	trans	39.7	-113.4	160.1	0	0	0	0	0	115	L218 S219 K220	G216-L218 PolarHBondContact O-N 2.9Å; G216-S219 PolarHBondContact O-N 2.89Å; G216-S219 PolarHBondContact O-OG 3.35Å; G216-K220 PolarHBondContact O-N 3.22Å
217	E	84.3	Confident	86.7	Confident	101 Å²	101	56.4 Å²	56.4	47%	0.472	31%	0.306	S	S	.	.	H	α-helix	trans	-68.6	-31	-169.9	-160.4	52.2	-140.8	0	0	113.8	P215 S219 K220 H221	P215-E217 PolarHBondContact O-N 3.12Å; E217-S219 VanDerWaalsContact C-N 3.33Å; E217-S219 PolarHBondContact O-N 2.87Å; E217-K220 PolarHBondContact O-N 3.02Å; E217-K220 WeakPolarHBondContact OE2-CD 3.29Å; E217-K220 IonicContact OE2-NZ 3.79Å; E217-K220 PolarHBondContact OE2-NZ 2.94Å; E217-H221 PolarHBondContact O-N 2.97Å; E217-H221 PolarHBondContact O-ND1 3.39Å; E217-H221 IonicContact OE1-CE1 3.77Å; E217-H221 PolarHBondContact OE1-CE1 3.11Å; E217-H221 IonicContact OE1-ND1 3.1Å; E217-H221 PolarHBondContact OE1-ND1 3.2Å; E217-H221 IonicContact OE1-NE2 2.84Å
218	L	85.3	Confident	86.5	Confident	57 Å²	57	59.8 Å²	59.8	30%	0.298	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-40	177	-59.6	-169.4	0	0	0	111.5	S93 L214 P215 G216 K220 H221 A222	S93-L218 VanDerWaalsContact CB-CD2 3.42Å; L214-L218 HydrophobicContact CB-CB 4.32Å; P215-L218 PolarHBondContact O-N 3.43Å; P215-L218 VanDerWaalsContact O-N 3.15Å; G216-L218 PolarHBondContact O-N 2.9Å; L218-K220 VanDerWaalsContact C-N 3.3Å; L218-K220 PolarHBondContact O-N 3.39Å; L218-H221 PolarHBondContact O-N 2.76Å; L218-A222 WeakPolarHBondContact O-CB 3.23Å; L218-A222 PolarHBondContact O-N 3.37Å
219	S	87.3	Confident	86.1	Confident	16 Å²	16	57.9 Å²	57.9	11%	0.112	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-38.8	178.8	77.9	0	0	0	0	112.1	L214 P215 G216 E217 A222 V223	L214-S219 WeakPolarHBondContact O-CB 2.99Å; P215-S219 PolarHBondContact O-N 3.22Å; G216-S219 PolarHBondContact O-N 2.89Å; G216-S219 PolarHBondContact O-OG 3.35Å; E217-S219 VanDerWaalsContact C-N 3.33Å; E217-S219 PolarHBondContact O-N 2.87Å; S219-A222 PolarHBondContact O-N 3.04Å; S219-V223 WeakPolarHBondContact O-CB 3.17Å; S219-V223 VanDerWaalsContact O-CG2 3.24Å; S219-V223 WeakPolarHBondContact O-CG2 3.49Å; S219-V223 PolarHBondContact O-N 3.3Å
220	K	87.5	Confident	85.6	Confident	126 Å²	126	60.3 Å²	60.3	55%	0.548	32%	0.324	S	S	.	.	H	α-helix	trans	-67.6	-46.2	-179.4	-64.7	178.2	-166.4	160.5	0	111.6	G216 E217 L218 V223 S224	G216-K220 PolarHBondContact O-N 3.22Å; E217-K220 PolarHBondContact O-N 3.02Å; E217-K220 WeakPolarHBondContact OE2-CD 3.29Å; E217-K220 IonicContact OE2-NZ 3.79Å; E217-K220 PolarHBondContact OE2-NZ 2.94Å; L218-K220 VanDerWaalsContact C-N 3.3Å; L218-K220 PolarHBondContact O-N 3.39Å; K220-V223 PolarHBondContact O-N 3.36Å; K220-S224 WeakPolarHBondContact O-CB 3.43Å; K220-S224 PolarHBondContact O-N 3.29Å
221	H	84.3	Confident	85.4	Confident	88 Å²	88	63.3 Å²	63.3	41%	0.407	34%	0.342	S	S	.	.	H	α-helix	trans	-60.7	-46.4	176.1	-72.8	96.8	0	0	0	111.2	E217 L218 V223 S224 E225	E217-H221 PolarHBondContact O-N 2.97Å; E217-H221 PolarHBondContact O-ND1 3.39Å; E217-H221 IonicContact OE1-CE1 3.77Å; E217-H221 PolarHBondContact OE1-CE1 3.11Å; E217-H221 IonicContact OE1-ND1 3.1Å; E217-H221 PolarHBondContact OE1-ND1 3.2Å; E217-H221 IonicContact OE1-NE2 2.84Å; L218-H221 PolarHBondContact O-N 2.76Å; H221-V223 PolarHBondContact O-N 3.06Å; H221-S224 WeakPolarHBondContact O-CB 3.39Å; H221-S224 PolarHBondContact O-N 3.1Å; H221-E225 WeakPolarHBondContact O-CG 3.19Å; H221-E225 PolarHBondContact O-N 3.41Å
222	A	84.3	Confident	85.2	Confident	9 Å²	9	64.1 Å²	64.1	7%	0.074	35%	0.35	C	S	.	.	H	α-helix	trans	-61.2	-42.3	178.6	0	0	0	0	0	112.7	V210 L214 L218 S219 G226	V210-A222 HydrophobicContact CG1-CB 3.65Å; L214-A222 HydrophobicContact CD1-CB 4.02Å; L218-A222 WeakPolarHBondContact O-CB 3.23Å; L218-A222 PolarHBondContact O-N 3.37Å; S219-A222 PolarHBondContact O-N 3.04Å; A222-G226 PolarHBondContact O-N 3.4Å
223	V	84.3	Confident	84.6	Confident	19 Å²	19	64.1 Å²	64.1	12%	0.115	34%	0.342	C	S	.	.	H	α-helix	trans	-67.2	-38.3	175.8	169.5	0	0	0	0	111.7	V210 R211 S219 K220 H221 G226 T227	V210-V223 HydrophobicContact CG1-CG2 4.38Å; R211-V223 HydrophobicContact CG-CG2 3.97Å; S219-V223 WeakPolarHBondContact O-CB 3.17Å; S219-V223 VanDerWaalsContact O-CG2 3.24Å; S219-V223 WeakPolarHBondContact O-CG2 3.49Å; S219-V223 PolarHBondContact O-N 3.3Å; K220-V223 PolarHBondContact O-N 3.36Å; H221-V223 PolarHBondContact O-N 3.06Å; V223-G226 PolarHBondContact O-N 3.47Å; V223-T227 WeakPolarHBondContact O-CB 3.48Å; V223-T227 PolarHBondContact O-N 3.06Å; V223-T227 PolarHBondContact O-OG1 2.72Å
224	S	85.4	Confident	84.2	Confident	55 Å²	55	65.4 Å²	65.4	39%	0.385	35%	0.353	S	S	.	.	H	α-helix	trans	-61.9	-48.9	176.5	-172.4	0	0	0	0	111	K220 H221 G226 T227 K228	K220-S224 WeakPolarHBondContact O-CB 3.43Å; K220-S224 PolarHBondContact O-N 3.29Å; H221-S224 WeakPolarHBondContact O-CB 3.39Å; H221-S224 PolarHBondContact O-N 3.1Å; S224-G226 PolarHBondContact O-N 3.27Å; S224-T227 PolarHBondContact O-N 3.43Å; S224-K228 WeakPolarHBondContact O-CG 3.36Å; S224-K228 PolarHBondContact O-N 3.49Å
225	E	83	Confident	83.9	Confident	40 Å²	40	67.8 Å²	67.8	19%	0.187	37%	0.374	C	S	.	.	H	α-helix	trans	-62.3	-43	176.4	-65.7	-48.8	125.6	0	0	112.1	I86 A89 H221 T227 K228 A229	I86-E225 HydrophobicContact CG1-CB 4.2Å; A89-E225 HydrophobicContact CB-CG 3.82Å; H221-E225 WeakPolarHBondContact O-CG 3.19Å; H221-E225 PolarHBondContact O-N 3.41Å; E225-T227 VanDerWaalsContact C-N 3.33Å; E225-T227 PolarHBondContact O-N 3.42Å; E225-K228 PolarHBondContact O-N 2.69Å; E225-K228 IonicContact OE1-NZ 2.98Å; E225-K228 PolarHBondContact OE1-NZ 2.51Å; E225-K228 IonicContact OE2-NZ 2.77Å; E225-A229 PolarHBondContact O-N 2.87Å; E225-A229 VanDerWaalsContact O-N 3.12Å
226	G	81.7	Confident	83.1	Confident	10 Å²	10	66.5 Å²	66.5	10%	0.103	37%	0.371	C	S	.	.	H	α-helix	trans	-64	-36.5	175.6	0	0	0	0	0	113.6	A222 V223 S224 A229 V230	A222-G226 PolarHBondContact O-N 3.4Å; V223-G226 PolarHBondContact O-N 3.47Å; S224-G226 PolarHBondContact O-N 3.27Å; G226-A229 PolarHBondContact O-N 2.77Å; G226-V230 VanDerWaalsContact O-CG2 3.29Å; G226-V230 WeakPolarHBondContact O-CG2 3.24Å; G226-V230 PolarHBondContact O-N 3.4Å
227	T	84.3	Confident	81.7	Confident	57 Å²	57	74.9 Å²	74.9	35%	0.35	39%	0.393	S	S	.	.	H	α-helix	trans	-68.2	-40	177	-54.5	0	0	0	0	110.9	V223 S224 E225 A229 V230 T231	V223-T227 WeakPolarHBondContact O-CB 3.48Å; V223-T227 PolarHBondContact O-N 3.06Å; V223-T227 PolarHBondContact O-OG1 2.72Å; S224-T227 PolarHBondContact O-N 3.43Å; E225-T227 VanDerWaalsContact C-N 3.33Å; E225-T227 PolarHBondContact O-N 3.42Å; T227-A229 VanDerWaalsContact C-N 3.31Å; T227-A229 PolarHBondContact O-N 3.48Å; T227-V230 PolarHBondContact O-N 2.92Å; T227-T231 PolarHBondContact O-N 3.14Å; T227-T231 PolarHBondContact O-OG1 3.08Å; T227-T231 VanDerWaalsContact O-OG1 3.04Å
228	K	84.6	Confident	81.6	Confident	116 Å²	116	73.6 Å²	73.6	50%	0.504	39%	0.389	S	S	.	.	H	α-helix	trans	-58	-44.5	173.9	-68.6	170.6	-170.9	171.7	0	111.7	S224 E225 T231 K232	S224-K228 WeakPolarHBondContact O-CG 3.36Å; S224-K228 PolarHBondContact O-N 3.49Å; E225-K228 PolarHBondContact O-N 2.69Å; E225-K228 IonicContact OE1-NZ 2.98Å; E225-K228 PolarHBondContact OE1-NZ 2.51Å; E225-K228 IonicContact OE2-NZ 2.77Å; K228-T231 PolarHBondContact O-N 3.44Å; K228-K232 WeakPolarHBondContact O-CB 3.27Å; K228-K232 PolarHBondContact O-N 3.16Å
229	A	81.2	Confident	81.4	Confident	7 Å²	7	74.4 Å²	74.4	6%	0.058	39%	0.394	C	S	.	.	H	α-helix	trans	-61.2	-48.7	177	0	0	0	0	0	111.5	D83 E225 G226 T227 T231 K232 Y233	D83-A229 HydrophobicContact CB-CB 3.99Å; D83-A229 WeakPolarHBondContact OD2-CB 3.49Å; E225-A229 PolarHBondContact O-N 2.87Å; E225-A229 VanDerWaalsContact O-N 3.12Å; G226-A229 PolarHBondContact O-N 2.77Å; T227-A229 VanDerWaalsContact C-N 3.31Å; T227-A229 PolarHBondContact O-N 3.48Å; A229-T231 PolarHBondContact O-N 2.9Å; A229-K232 PolarHBondContact O-N 3.41Å; A229-Y233 PolarHBondContact O-N 2.95Å
230	V	76.8	Confident	81.1	Confident	52 Å²	52	77.7 Å²	77.7	32%	0.315	41%	0.41	S	S	.	.	H	α-helix	trans	-61.4	-45.3	178.9	171.9	0	0	0	0	111.4	G226 T227 K232 Y233 T234	G226-V230 VanDerWaalsContact O-CG2 3.29Å; G226-V230 WeakPolarHBondContact O-CG2 3.24Å; G226-V230 PolarHBondContact O-N 3.4Å; T227-V230 PolarHBondContact O-N 2.92Å; V230-K232 PolarHBondContact O-N 3.24Å; V230-Y233 PolarHBondContact O-N 3.21Å; V230-T234 PolarHBondContact O-N 3.05Å; V230-T234 PolarHBondContact O-OG1 2.97Å; V230-T234 VanDerWaalsContact O-OG1 3.1Å
231	T	84	Confident	80.7	Confident	79 Å²	79	74.8 Å²	74.8	49%	0.485	40%	0.402	S	S	.	.	H	α-helix	trans	-62.2	-45.1	178.1	-58.6	0	0	0	0	111.2	T227 K228 A229 Y233 T234 S235	T227-T231 PolarHBondContact O-N 3.14Å; T227-T231 PolarHBondContact O-OG1 3.08Å; T227-T231 VanDerWaalsContact O-OG1 3.04Å; K228-T231 PolarHBondContact O-N 3.44Å; A229-T231 PolarHBondContact O-N 2.9Å; T231-Y233 VanDerWaalsContact C-N 3.3Å; T231-Y233 PolarHBondContact O-N 3.41Å; T231-T234 PolarHBondContact O-N 2.98Å; T231-S235 PolarHBondContact O-N 3.46Å; T231-S235 PolarHBondContact O-OG 3.46Å; T231-S235 VanDerWaalsContact O-OG 3.04Å
232	K	85.7	Confident	80.5	Confident	152 Å²	152	74 Å²	74	66%	0.661	40%	0.402	S	S	*	.	H	α-helix	trans	-60.3	-40.7	176.8	-177.3	-177.6	176.5	-173.1	0	112	K228 A229 V230 A236	K228-K232 WeakPolarHBondContact O-CB 3.27Å; K228-K232 PolarHBondContact O-N 3.16Å; A229-K232 PolarHBondContact O-N 3.41Å; V230-K232 PolarHBondContact O-N 3.24Å; K232-A236 WeakPolarHBondContact O-CB 3.48Å; K232-A236 PolarHBondContact O-N 2.99Å
233	Y	79.2	Confident	80.2	Confident	110 Å²	110	78.3 Å²	78.3	43%	0.431	42%	0.423	S	S	.	.	H	α-helix	trans	-64.4	-46.7	176	-179.9	-91.6	0	0	0	111.6	D81 A229 V230 T231 S235 A236 K237	D81-Y233 WeakPolarHBondContact OD2-CD2 3.23Å; D81-Y233 WeakPolarHBondContact OD2-CE2 3.06Å; A229-Y233 PolarHBondContact O-N 2.95Å; V230-Y233 PolarHBondContact O-N 3.21Å; T231-Y233 VanDerWaalsContact C-N 3.3Å; T231-Y233 PolarHBondContact O-N 3.41Å; Y233-S235 VanDerWaalsContact C-N 3.33Å; Y233-S235 PolarHBondContact O-N 3.41Å; Y233-A236 PolarHBondContact O-N 3.15Å; Y233-K237 PolarHBondContact O-N 2.98Å
234	T	82.2	Confident	79.9	Confident	89 Å²	89	82.6 Å²	82.6	55%	0.546	45%	0.445	S	S	.	.	H	α-helix	trans	-63.4	-37	177.5	-58.5	0	0	0	0	112.3	V230 T231 A236 K237	V230-T234 PolarHBondContact O-N 3.05Å; V230-T234 PolarHBondContact O-OG1 2.97Å; V230-T234 VanDerWaalsContact O-OG1 3.1Å; T231-T234 PolarHBondContact O-N 2.98Å; T234-A236 VanDerWaalsContact C-N 3.29Å; T234-A236 PolarHBondContact O-N 3.47Å; T234-K237 PolarHBondContact O-N 3.27Å
235	S	81.7	Confident	79.5	Confident	97 Å²	97	84.7 Å²	84.7	68%	0.678	45%	0.45	S	S	*	.	H	α-helix	trans	-70.1	-23.2	176.2	-59.6	0	0	0	0	114	T231 Y233 K237	T231-S235 PolarHBondContact O-N 3.46Å; T231-S235 PolarHBondContact O-OG 3.46Å; T231-S235 VanDerWaalsContact O-OG 3.04Å; Y233-S235 VanDerWaalsContact C-N 3.33Å; Y233-S235 PolarHBondContact O-N 3.41Å; S235-K237 VanDerWaalsContact C-N 3.34Å
236	A	72.2	Confident	79.2	Confident	67 Å²	67	88.4 Å²	88.4	55%	0.554	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.5	178.3	0	0	0	0	0	113.3	K232 Y233 T234	K232-A236 WeakPolarHBondContact O-CB 3.48Å; K232-A236 PolarHBondContact O-N 2.99Å; Y233-A236 PolarHBondContact O-N 3.15Å; T234-A236 VanDerWaalsContact C-N 3.29Å; T234-A236 PolarHBondContact O-N 3.47Å
237	K	57.1	Low	79	Confident	225 Å²	225	95.5 Å²	95.5	98%	0.978	51%	0.505	S	S	*	.			trans	-97.7	0	178	-174.2	174.5	-176.8	169.5	0	110.4	Y233 T234 S235	Y233-K237 PolarHBondContact O-N 2.98Å; T234-K237 PolarHBondContact O-N 3.27Å; S235-K237 VanDerWaalsContact C-N 3.34Å

Retrieved 237 of 237 residues in 37.6 ms (Link to these results)

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