A0A024RA31_HUMAN Loading...

Aquaporin-1

Forms a water channel that facilitates the transport of water across cell membranes, playing a crucial role in water homeostasis in various tissues. Could also be permeable to small solutes including hydrogen peroxide, glycerol and gases such as amonnia (NH3), nitric oxide (NO) and carbon dioxide (CO2). Recruited to the ankyrin-1 complex, a multiprotein complex of the erythrocyte membrane, it could be part of a CO2 metabolon, linking facilitated diffusion of CO2 across the membrane, anion exchange of Cl(-)/HCO3(-) and interconversion of dissolved CO2 and carbonic acid in the cytosol. In vitro, it shows non-selective gated cation channel activity and may be permeable to cations like K(+) and Na(+) in vivo.

AlphaFold DB (P29972), UniProt , Accession A0A024RA31, Species HUMAN (Homo sapiens, Human), Gene AQP1, Length 269 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	49.8	Very low	81.1	Confident	136 Å²	136	85.6 Å²	85.6	67%	0.67	42%	0.42	S	S	*	.				0	-49.6	0	-144.2	-170	-70.7	0	0	112.8	S3 F92 T246	M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.46Å; M1-F92 HydrophobicContact CG-CB 4.17Å; M1-T246 VanDerWaalsContact CA-O 3.24Å; M1-T246 WeakPolarHBondContact CA-O 3.27Å; M1-T246 PolarHBondContact N-O 2.82Å
2	A	56.4	Low	82.5	Confident	75 Å²	75	91.8 Å²	91.8	62%	0.62	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-4.7	-173.3	0	0	0	0	0	117.4
3	S	76.9	Confident	83.6	Confident	62 Å²	62	84.8 Å²	84.8	43%	0.434	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-38.8	-179.4	56.6	0	0	0	0	113.1	M1 K6	M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.46Å; S3-K6 PolarHBondContact O-N 3.27Å
4	E	80	Confident	84.6	Confident	1 Å²	1	80.1 Å²	80.1	1%	0.005	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-63.8	-45.9	-177.3	-62	-160.8	126.2	0	0	111.9	K6 K7 F10 S90 G248 Y253	E4-K6 PolarHBondContact O-N 3.12Å; E4-K7 WeakPolarHBondContact O-CB 3.39Å; E4-K7 PolarHBondContact O-N 2.99Å; E4-F10 HydrophobicContact CB-CD2 4.01Å; E4-F10 HydrophobicContact CB-CE2 4.38Å; E4-F10 HydrophobicContact CB-CG 4.5Å; E4-F10 WeakPolarHBondContact O-CB 3.37Å; E4-S90 WeakPolarHBondContact OE2-CB 3.33Å; E4-S90 PolarHBondContact OE2-OG 2.95Å; E4-G248 WeakPolarHBondContact OE1-CA 3.19Å; E4-Y253 WeakPolarHBondContact CB-OH 3.41Å; E4-Y253 HydrophobicContact CG-CE2 4.09Å; E4-Y253 WeakPolarHBondContact CG-OH 3.43Å; E4-Y253 PolarHBondContact OE1-OH 3.45Å
5	F	84	Confident	85.5	Confident	114 Å²	114	79.9 Å²	79.9	50%	0.5	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-53.5	-28.8	177.7	176.5	-86.8	0	0	0	113.2	K7 W11 F92	F5-K7 VanDerWaalsContact C-N 3.35Å; F5-W11 HydrophobicContact CD2-CH2 4.01Å; F5-W11 AromaticContact CD2-CZ2 3.37Å; F5-W11 HydrophobicContact CD2-CZ2 3.37Å; F5-W11 AromaticContact CE2-CH2 3.86Å; F5-W11 HydrophobicContact CE2-CH2 3.86Å; F5-W11 AromaticContact CE2-CZ2 3.33Å; F5-W11 HydrophobicContact CE2-CZ2 3.33Å; F5-W11 HydrophobicContact CG-CZ2 4.14Å; F5-W11 HydrophobicContact CZ-CZ2 4.03Å; F5-W11 PolarHBondContact O-NE1 2.59Å; F5-F92 HydrophobicContact CB-CE1 4.02Å; F5-F92 HydrophobicContact CB-CZ 4.41Å; F5-F92 HydrophobicContact CD2-CE1 4.24Å; F5-F92 AromaticContact CD2-CZ 3.88Å; F5-F92 HydrophobicContact CD2-CZ 3.88Å
6	K	84.4	Confident	86.4	Confident	171 Å²	171	75.4 Å²	75.4	74%	0.743	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-82.7	-11.8	-179.1	-66	-176.8	179	-175.3	0	113.2	S3 E4	S3-K6 PolarHBondContact O-N 3.27Å; E4-K6 PolarHBondContact O-N 3.12Å
7	K	87.4	Confident	87.1	Confident	76 Å²	76	70.9 Å²	70.9	33%	0.33	35%	0.346	S	S	.	.			trans	-91.7	134	-173.7	-65.2	-176.5	-178.2	-174	0	111.1	E4 F5 L9 F10 Y253	E4-K7 WeakPolarHBondContact O-CB 3.39Å; E4-K7 PolarHBondContact O-N 2.99Å; F5-K7 VanDerWaalsContact C-N 3.35Å; K7-L9 VanDerWaalsContact C-N 3.31Å; K7-L9 PolarHBondContact O-N 3.44Å; K7-F10 HydrophobicContact CB-CB 4.5Å; K7-F10 WeakPolarHBondContact O-CB 3.26Å; K7-F10 PolarHBondContact O-N 3.14Å; K7-Y253 HydrophobicContact CB-CD1 4.34Å; K7-Y253 HydrophobicContact CB-CE1 4.13Å; K7-Y253 HydrophobicContact CD-CD1 3.12Å; K7-Y253 HydrophobicContact CD-CD2 4.18Å; K7-Y253 HydrophobicContact CD-CE1 3.4Å; K7-Y253 VanDerWaalsContact CD-CE1 3.4Å; K7-Y253 HydrophobicContact CD-CE2 4.41Å; K7-Y253 HydrophobicContact CD-CG 3.54Å; K7-Y253 HydrophobicContact CG-CD1 4.32Å; K7-Y253 HydrophobicContact CG-CE1 4.37Å; K7-Y253 VanDerWaalsContact NZ-CD2 3.26Å
8	K	92.6	Very high	87.7	Confident	164 Å²	164	70.3 Å²	70.3	71%	0.713	34%	0.341	S	S	*	.	H	α-helix	trans	-63.2	-36.7	177.6	-69	-176.7	-179.5	176.5	0	112.4	F10 W11 R12	K8-F10 VanDerWaalsContact C-N 3.27Å; K8-F10 PolarHBondContact O-N 3.41Å; K8-W11 PolarHBondContact O-N 3.21Å; K8-R12 WeakPolarHBondContact O-CG 3.36Å; K8-R12 PolarHBondContact O-N 2.79Å
9	L	91.9	Very high	88.3	Confident	46 Å²	46	71.5 Å²	71.5	24%	0.241	35%	0.349	C	S	.	.	H	α-helix	trans	-60	-38.9	178.7	-81.3	77.9	0	0	0	111.7	K7 W11 R12 A13 D256	K7-L9 VanDerWaalsContact C-N 3.31Å; K7-L9 PolarHBondContact O-N 3.44Å; L9-W11 PolarHBondContact O-N 3.03Å; L9-R12 PolarHBondContact O-N 3.37Å; L9-A13 WeakPolarHBondContact O-CB 3.3Å; L9-A13 PolarHBondContact O-N 2.67Å; L9-D256 WeakPolarHBondContact CD1-OD2 3.45Å
10	F	93.5	Very high	88.8	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-57.2	-51	176.1	177.6	-91	0	0	0	111.3	E4 K7 K8 R12 A13 V14 F92 R93 M96	E4-F10 HydrophobicContact CB-CD2 4.01Å; E4-F10 HydrophobicContact CB-CE2 4.38Å; E4-F10 HydrophobicContact CB-CG 4.5Å; E4-F10 WeakPolarHBondContact O-CB 3.37Å; K7-F10 HydrophobicContact CB-CB 4.5Å; K7-F10 WeakPolarHBondContact O-CB 3.26Å; K7-F10 PolarHBondContact O-N 3.14Å; K8-F10 VanDerWaalsContact C-N 3.27Å; K8-F10 PolarHBondContact O-N 3.41Å; F10-R12 PolarHBondContact O-N 2.62Å; F10-A13 WeakPolarHBondContact O-CB 3.41Å; F10-A13 PolarHBondContact O-N 3.47Å; F10-A13 VanDerWaalsContact O-N 3.14Å; F10-V14 HydrophobicContact CD1-CG2 4.21Å; F10-V14 HydrophobicContact CE1-CG2 3.75Å; F10-V14 HydrophobicContact CZ-CG2 4Å; F10-V14 WeakPolarHBondContact O-CG2 3.46Å; F10-V14 PolarHBondContact O-N 3.01Å; F10-F92 HydrophobicContact CE1-CD1 4.25Å; F10-F92 AromaticContact CE1-CE1 3.57Å; F10-F92 HydrophobicContact CE1-CE1 3.57Å; F10-F92 HydrophobicContact CE1-CZ 4.34Å; F10-F92 AromaticContact CE2-CD1 3.92Å; F10-F92 HydrophobicContact CE2-CD1 3.92Å; F10-F92 HydrophobicContact CE2-CE1 4.08Å; F10-F92 AromaticContact CZ-CD1 3.54Å; F10-F92 HydrophobicContact CZ-CD1 3.54Å; F10-F92 AromaticContact CZ-CE1 3.31Å; F10-F92 HydrophobicContact CZ-CE1 3.31Å; F10-F92 HydrophobicContact CZ-CZ 4.25Å; F10-R93 HydrophobicContact CE2-CB 3.91Å; F10-R93 HydrophobicContact CE2-CG 4.17Å; F10-M96 HydrophobicContact CE1-CB 4.45Å; F10-M96 HydrophobicContact CE1-CG 4.15Å; F10-M96 HydrophobicContact CZ-CB 3.98Å; F10-M96 HydrophobicContact CZ-CG 3.8Å
11	W	95.7	Very high	89.3	Confident	97 Å²	97	64.8 Å²	64.8	37%	0.367	32%	0.317	S	S	.	.	H	α-helix	trans	-67.8	-35.8	179.9	-67.1	111.4	0	0	0	113.5	F5 K8 L9 A13 V14 V15	F5-W11 HydrophobicContact CD2-CH2 4.01Å; F5-W11 AromaticContact CD2-CZ2 3.37Å; F5-W11 HydrophobicContact CD2-CZ2 3.37Å; F5-W11 AromaticContact CE2-CH2 3.86Å; F5-W11 HydrophobicContact CE2-CH2 3.86Å; F5-W11 AromaticContact CE2-CZ2 3.33Å; F5-W11 HydrophobicContact CE2-CZ2 3.33Å; F5-W11 HydrophobicContact CG-CZ2 4.14Å; F5-W11 HydrophobicContact CZ-CZ2 4.03Å; F5-W11 PolarHBondContact O-NE1 2.59Å; K8-W11 PolarHBondContact O-N 3.21Å; L9-W11 PolarHBondContact O-N 3.03Å; W11-A13 PolarHBondContact O-N 3.16Å; W11-V14 HydrophobicContact CE3-CB 4.42Å; W11-V14 HydrophobicContact CE3-CG2 4.45Å; W11-V14 PolarHBondContact O-N 3.15Å; W11-V15 WeakPolarHBondContact O-CG2 3.29Å; W11-V15 PolarHBondContact O-N 3.07Å
12	R	97.2	Very high	91.7	Very high	159 Å²	159	59.2 Å²	59.2	60%	0.6	29%	0.29	S	S	*	.	H	α-helix	trans	-58.5	-40.8	171.4	-74.1	176.3	173	172.5	-3.4	111.1	K8 L9 F10 V15 A16 I70	K8-R12 WeakPolarHBondContact O-CG 3.36Å; K8-R12 PolarHBondContact O-N 2.79Å; L9-R12 PolarHBondContact O-N 3.37Å; F10-R12 PolarHBondContact O-N 2.62Å; R12-V15 PolarHBondContact O-N 3.07Å; R12-A16 VanDerWaalsContact O-CB 3.28Å; R12-A16 WeakPolarHBondContact O-CB 3.39Å; R12-A16 PolarHBondContact O-N 3.04Å; R12-I70 HydrophobicContact CB-CG2 4.29Å
13	A	96.8	Very high	93.7	Very high	1 Å²	1	60 Å²	60	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-66.8	-43.1	177.7	0	0	0	0	0	112.5	L9 F10 W11 V15 A16 E17 I70 S71 Y97	L9-A13 WeakPolarHBondContact O-CB 3.3Å; L9-A13 PolarHBondContact O-N 2.67Å; F10-A13 WeakPolarHBondContact O-CB 3.41Å; F10-A13 PolarHBondContact O-N 3.47Å; F10-A13 VanDerWaalsContact O-N 3.14Å; W11-A13 PolarHBondContact O-N 3.16Å; A13-V15 PolarHBondContact O-N 2.94Å; A13-A16 PolarHBondContact O-N 3.2Å; A13-E17 WeakPolarHBondContact O-CG 3.32Å; A13-E17 PolarHBondContact O-N 2.97Å; A13-I70 WeakPolarHBondContact CB-O 3.48Å; A13-S71 WeakPolarHBondContact O-CB 3.43Å; A13-Y97 HydrophobicContact CB-CE1 4.11Å; A13-Y97 VanDerWaalsContact CB-OH 3.27Å; A13-Y97 WeakPolarHBondContact CB-OH 3.47Å
14	V	98	Very high	94.7	Very high	19 Å²	19	57.2 Å²	57.2	12%	0.115	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-43.3	174.8	177.1	0	0	0	0	111.5	F10 W11 E17 F18 M96 Y97 A100	F10-V14 HydrophobicContact CD1-CG2 4.21Å; F10-V14 HydrophobicContact CE1-CG2 3.75Å; F10-V14 HydrophobicContact CZ-CG2 4Å; F10-V14 WeakPolarHBondContact O-CG2 3.46Å; F10-V14 PolarHBondContact O-N 3.01Å; W11-V14 HydrophobicContact CE3-CB 4.42Å; W11-V14 HydrophobicContact CE3-CG2 4.45Å; W11-V14 PolarHBondContact O-N 3.15Å; V14-E17 PolarHBondContact O-N 3Å; V14-F18 PolarHBondContact O-N 3.18Å; V14-M96 HydrophobicContact CG1-CB 4.47Å; V14-M96 HydrophobicContact CG2-CB 3.86Å; V14-Y97 HydrophobicContact CG2-CD1 4.09Å; V14-Y97 HydrophobicContact CG2-CE1 4.1Å; V14-A100 HydrophobicContact CG1-CB 3.93Å
15	V	98.6	Very high	95.6	Very high	77 Å²	77	57.1 Å²	57.1	47%	0.467	26%	0.263	S	S	.	.	H	α-helix	trans	-66.1	-39.7	176.2	171.7	0	0	0	0	111.2	W11 R12 A13 F18 L19	W11-V15 WeakPolarHBondContact O-CG2 3.29Å; W11-V15 PolarHBondContact O-N 3.07Å; R12-V15 PolarHBondContact O-N 3.07Å; A13-V15 PolarHBondContact O-N 2.94Å; V15-F18 PolarHBondContact O-N 2.95Å; V15-L19 HydrophobicContact CG1-CD1 3.87Å; V15-L19 HydrophobicContact CG1-CG 4.24Å; V15-L19 WeakPolarHBondContact O-CG 3.5Å; V15-L19 PolarHBondContact O-N 3.06Å
16	A	98.6	Very high	96.3	Very high	8 Å²	8	54.9 Å²	54.9	7%	0.066	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-43.7	175.7	0	0	0	0	0	111.6	R12 A13 L19 A20 V67 I70	R12-A16 VanDerWaalsContact O-CB 3.28Å; R12-A16 WeakPolarHBondContact O-CB 3.39Å; R12-A16 PolarHBondContact O-N 3.04Å; A13-A16 PolarHBondContact O-N 3.2Å; A16-L19 PolarHBondContact O-N 2.96Å; A16-A20 WeakPolarHBondContact O-CB 3.29Å; A16-A20 PolarHBondContact O-N 3.24Å; A16-V67 HydrophobicContact CB-CB 4.25Å; A16-I70 HydrophobicContact CB-CB 4.32Å; A16-I70 HydrophobicContact CB-CG2 3.95Å
17	E	98.7	Very high	97	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-47.4	173.4	-74	-65.5	128.4	0	0	111.9	A13 V14 A20 T21 S71 A73 H74 L75 Y97 A100 Q101	A13-E17 WeakPolarHBondContact O-CG 3.32Å; A13-E17 PolarHBondContact O-N 2.97Å; V14-E17 PolarHBondContact O-N 3Å; E17-A20 PolarHBondContact O-N 3.36Å; E17-T21 WeakPolarHBondContact O-CB 3.49Å; E17-T21 PolarHBondContact O-N 3.31Å; E17-T21 PolarHBondContact O-OG1 3.01Å; E17-S71 WeakPolarHBondContact OE1-CB 3.32Å; E17-S71 PolarHBondContact OE1-OG 3.38Å; E17-A73 VanDerWaalsContact OE1-CA 3.25Å; E17-A73 WeakPolarHBondContact OE1-CA 3.49Å; E17-A73 PolarHBondContact OE1-N 2.7Å; E17-H74 PolarHBondContact OE1-N 3.21Å; E17-L75 WeakPolarHBondContact OE2-CA 3.23Å; E17-L75 PolarHBondContact OE2-N 3.14Å; E17-Y97 HydrophobicContact CG-CD1 4.03Å; E17-Y97 HydrophobicContact CG-CD2 3.65Å; E17-Y97 HydrophobicContact CG-CE1 4.1Å; E17-Y97 HydrophobicContact CG-CE2 3.73Å; E17-Y97 HydrophobicContact CG-CG 3.81Å; E17-A100 HydrophobicContact CB-CB 4.32Å; E17-Q101 PolarHBondContact OE2-NE2 3.24Å
18	F	98.9	Very high	97.6	Very high	59 Å²	59	47 Å²	47	26%	0.259	22%	0.222	S	C	.	.	H	α-helix	trans	-57.6	-52.4	177.2	165.1	-103	0	0	0	112.3	V14 V15 T22 A100 V103 V107	V14-F18 PolarHBondContact O-N 3.18Å; V15-F18 PolarHBondContact O-N 2.95Å; F18-T22 WeakPolarHBondContact O-CB 3.43Å; F18-T22 PolarHBondContact O-N 2.92Å; F18-T22 PolarHBondContact O-OG1 3.4Å; F18-A100 HydrophobicContact CB-CB 4Å; F18-V103 HydrophobicContact CD2-CB 4.46Å; F18-V103 HydrophobicContact CD2-CG1 4.28Å; F18-V103 HydrophobicContact CE2-CG1 3.93Å; F18-V107 HydrophobicContact CE2-CG2 4.18Å; F18-V107 HydrophobicContact CZ-CG2 4.38Å
19	L	98.8	Very high	97.8	Very high	93 Å²	93	39.1 Å²	39.1	49%	0.487	19%	0.188	S	C	.	.	H	α-helix	trans	-66.1	-42.6	-177.7	-70.1	176.2	0	0	0	111.4	V15 A16 T22 L23	V15-L19 HydrophobicContact CG1-CD1 3.87Å; V15-L19 HydrophobicContact CG1-CG 4.24Å; V15-L19 WeakPolarHBondContact O-CG 3.5Å; V15-L19 PolarHBondContact O-N 3.06Å; A16-L19 PolarHBondContact O-N 2.96Å; L19-T22 WeakPolarHBondContact O-CB 3.16Å; L19-T22 PolarHBondContact O-N 3.48Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.09Å
20	A	98.8	Very high	98.1	Very high	3 Å²	3	38.1 Å²	38.1	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-68.1	-41.8	-179.5	0	0	0	0	0	111.3	A16 E17 T22 L23 F24 L63 V67 L75	A16-A20 WeakPolarHBondContact O-CB 3.29Å; A16-A20 PolarHBondContact O-N 3.24Å; E17-A20 PolarHBondContact O-N 3.36Å; A20-T22 VanDerWaalsContact C-N 3.29Å; A20-T22 PolarHBondContact O-N 3.47Å; A20-L23 PolarHBondContact O-N 3.2Å; A20-F24 VanDerWaalsContact O-CB 3.24Å; A20-F24 WeakPolarHBondContact O-CB 3.46Å; A20-F24 PolarHBondContact O-N 3.14Å; A20-L63 HydrophobicContact CB-CD2 4.33Å; A20-L63 WeakPolarHBondContact O-CD1 3.49Å; A20-V67 HydrophobicContact CB-CG2 3.74Å; A20-L75 HydrophobicContact CB-CD1 3.83Å; A20-L75 HydrophobicContact CB-CD2 3.78Å; A20-L75 HydrophobicContact CB-CG 3.82Å
21	T	98.9	Very high	98.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-36.3	172.7	-54.5	0	0	0	0	111.8	E17 F24 V25 L75 Q101 A105	E17-T21 WeakPolarHBondContact O-CB 3.49Å; E17-T21 PolarHBondContact O-N 3.31Å; E17-T21 PolarHBondContact O-OG1 3.01Å; T21-F24 PolarHBondContact O-N 2.8Å; T21-V25 HydrophobicContact CG2-CG2 4.13Å; T21-V25 WeakPolarHBondContact O-CB 3.49Å; T21-V25 WeakPolarHBondContact O-CG2 3.49Å; T21-V25 PolarHBondContact O-N 3.39Å; T21-L75 WeakPolarHBondContact OG1-CA 3.23Å; T21-Q101 HydrophobicContact CG2-CB 4.3Å; T21-Q101 VanDerWaalsContact CG2-O 3.24Å; T21-Q101 WeakPolarHBondContact CG2-O 3.39Å; T21-Q101 WeakPolarHBondContact OG1-CG 3.5Å; T21-A105 HydrophobicContact CG2-CB 4.19Å
22	T	98.9	Very high	98.5	Very high	19 Å²	19	35.4 Å²	35.4	12%	0.117	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-51.6	175.1	-55.2	0	0	0	0	111	F18 L19 A20 F26 G104 V107 A108	F18-T22 WeakPolarHBondContact O-CB 3.43Å; F18-T22 PolarHBondContact O-N 2.92Å; F18-T22 PolarHBondContact O-OG1 3.4Å; L19-T22 WeakPolarHBondContact O-CB 3.16Å; L19-T22 PolarHBondContact O-N 3.48Å; A20-T22 VanDerWaalsContact C-N 3.29Å; A20-T22 PolarHBondContact O-N 3.47Å; T22-F26 WeakPolarHBondContact O-CB 3.44Å; T22-F26 PolarHBondContact O-N 2.94Å; T22-G104 WeakPolarHBondContact OG1-CA 3.43Å; T22-G104 PolarHBondContact OG1-O 2.98Å; T22-V107 HydrophobicContact CG2-CG1 4.09Å; T22-A108 HydrophobicContact CG2-CB 3.99Å; T22-A108 WeakPolarHBondContact O-CB 3.33Å
23	L	98.8	Very high	98.4	Very high	90 Å²	90	28 Å²	28	47%	0.471	16%	0.158	S	C	.	.	H	α-helix	trans	-63.3	-43.7	178.2	-69.2	173.5	0	0	0	112	L19 A20 F26 I27 L63	L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.09Å; A20-L23 PolarHBondContact O-N 3.2Å; L23-F26 PolarHBondContact O-N 3.05Å; L23-I27 WeakPolarHBondContact O-CB 3.34Å; L23-I27 WeakPolarHBondContact O-CD1 3.3Å; L23-I27 VanDerWaalsContact O-CG1 3.24Å; L23-I27 WeakPolarHBondContact O-CG1 3.47Å; L23-I27 PolarHBondContact O-N 3.1Å; L23-L63 HydrophobicContact CB-CD1 4.31Å; L23-L63 HydrophobicContact CB-CD2 4.09Å; L23-L63 HydrophobicContact CD1-CD2 4.04Å
24	F	98.8	Very high	98.3	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-56.1	-53.5	178	164.5	-122.1	0	0	0	111.8	A20 T21 S28 F56 I60 L63 L75 R195	A20-F24 VanDerWaalsContact O-CB 3.24Å; A20-F24 WeakPolarHBondContact O-CB 3.46Å; A20-F24 PolarHBondContact O-N 3.14Å; T21-F24 PolarHBondContact O-N 2.8Å; F24-S28 WeakPolarHBondContact CD2-OG 3.46Å; F24-S28 WeakPolarHBondContact CE2-OG 3.32Å; F24-S28 WeakPolarHBondContact O-CB 3.48Å; F24-S28 PolarHBondContact O-N 3.29Å; F24-S28 PolarHBondContact O-OG 3.18Å; F24-F56 HydrophobicContact CE2-CB 4.5Å; F24-F56 AromaticContact CE2-CD1 3.65Å; F24-F56 HydrophobicContact CE2-CD1 3.65Å; F24-F56 HydrophobicContact CE2-CE1 4.34Å; F24-F56 HydrophobicContact CE2-CG 4.45Å; F24-F56 AromaticContact CZ-CD1 3.65Å; F24-F56 HydrophobicContact CZ-CD1 3.65Å; F24-F56 HydrophobicContact CZ-CE1 4.09Å; F24-I60 HydrophobicContact CD1-CD1 4.19Å; F24-I60 HydrophobicContact CD2-CD1 3.59Å; F24-I60 HydrophobicContact CD2-CG1 3.86Å; F24-I60 HydrophobicContact CE1-CD1 4.26Å; F24-I60 HydrophobicContact CE2-CD1 3.68Å; F24-I60 HydrophobicContact CE2-CG1 3.63Å; F24-I60 HydrophobicContact CG-CD1 3.86Å; F24-I60 HydrophobicContact CZ-CD1 4.01Å; F24-I60 HydrophobicContact CZ-CG1 4.2Å; F24-L63 HydrophobicContact CB-CD1 3.54Å; F24-L75 HydrophobicContact CB-CD2 4.03Å; F24-R195 HydrophobicContact CE1-CB 4.23Å; F24-R195 HydrophobicContact CE1-CG 4.49Å
25	V	98.8	Very high	98	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.8	-41.3	-178	172.6	0	0	0	0	110.5	T21 I29 A105 A108 R195	T21-V25 HydrophobicContact CG2-CG2 4.13Å; T21-V25 WeakPolarHBondContact O-CB 3.49Å; T21-V25 WeakPolarHBondContact O-CG2 3.49Å; T21-V25 PolarHBondContact O-N 3.39Å; V25-I29 HydrophobicContact CG1-CD1 3.64Å; V25-I29 HydrophobicContact CG1-CG1 4.23Å; V25-I29 VanDerWaalsContact O-CB 3.31Å; V25-I29 WeakPolarHBondContact O-CB 3.41Å; V25-I29 WeakPolarHBondContact O-CG1 3.33Å; V25-I29 PolarHBondContact O-N 3.3Å; V25-A105 HydrophobicContact CG2-CB 3.87Å; V25-A108 HydrophobicContact CB-CB 3.7Å; V25-A108 HydrophobicContact CG1-CB 3.72Å; V25-R195 HydrophobicContact CG2-CB 4.3Å
26	F	98.8	Very high	97.7	Very high	67 Å²	67	31 Å²	31	29%	0.294	17%	0.17	S	C	.	.	H	α-helix	trans	-59	-53.1	178.3	-178.6	-90.1	0	0	0	112.2	T22 L23 G30 A108 I111 L112 I115	T22-F26 WeakPolarHBondContact O-CB 3.44Å; T22-F26 PolarHBondContact O-N 2.94Å; L23-F26 PolarHBondContact O-N 3.05Å; F26-G30 WeakPolarHBondContact O-CA 3.13Å; F26-G30 PolarHBondContact O-N 2.81Å; F26-A108 HydrophobicContact CB-CB 4.13Å; F26-I111 HydrophobicContact CD2-CG2 4.2Å; F26-I111 HydrophobicContact CE2-CG2 3.78Å; F26-L112 HydrophobicContact CD2-CD2 4Å; F26-L112 HydrophobicContact CD2-CG 3.77Å; F26-L112 HydrophobicContact CE2-CD2 3.88Å; F26-L112 HydrophobicContact CE2-CG 4.05Å; F26-L112 HydrophobicContact CG-CG 4.48Å; F26-L112 HydrophobicContact CZ-CD2 4.39Å; F26-I115 HydrophobicContact CE2-CD1 3.52Å; F26-I115 HydrophobicContact CZ-CD1 3.57Å
27	I	98.8	Very high	97.3	Very high	80 Å²	80	34.9 Å²	34.9	41%	0.41	18%	0.183	S	C	.	.	H	α-helix	trans	-65.9	-46.6	-176.9	-65.9	165.7	0	0	0	110.2	L23 S31 S59	L23-I27 WeakPolarHBondContact O-CB 3.34Å; L23-I27 WeakPolarHBondContact O-CD1 3.3Å; L23-I27 VanDerWaalsContact O-CG1 3.24Å; L23-I27 WeakPolarHBondContact O-CG1 3.47Å; L23-I27 PolarHBondContact O-N 3.1Å; I27-S31 WeakPolarHBondContact O-CB 3.12Å; I27-S31 PolarHBondContact O-N 3.06Å; I27-S59 WeakPolarHBondContact CG2-OG 3.26Å
28	S	98.7	Very high	96.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-72.3	-47.9	-170.7	-51.9	0	0	0	0	112.2	F24 S31 A32 F56 S59	F24-S28 WeakPolarHBondContact CD2-OG 3.46Å; F24-S28 WeakPolarHBondContact CE2-OG 3.32Å; F24-S28 WeakPolarHBondContact O-CB 3.48Å; F24-S28 PolarHBondContact O-N 3.29Å; F24-S28 PolarHBondContact O-OG 3.18Å; S28-S31 PolarHBondContact O-N 2.98Å; S28-A32 PolarHBondContact O-N 3.47Å; S28-F56 VanDerWaalsContact CB-CD1 3.45Å; S28-F56 VanDerWaalsContact CB-CE1 3.4Å; S28-F56 VanDerWaalsContact CB-CZ 3.45Å; S28-S59 PolarHBondContact OG-OG 3.48Å
29	I	98.5	Very high	95.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68.6	-39.2	175.7	-63.3	-174.4	0	0	0	110.6	V25 S31 A32 L33 F56 L112 L124 S199	V25-I29 HydrophobicContact CG1-CD1 3.64Å; V25-I29 HydrophobicContact CG1-CG1 4.23Å; V25-I29 VanDerWaalsContact O-CB 3.31Å; V25-I29 WeakPolarHBondContact O-CB 3.41Å; V25-I29 WeakPolarHBondContact O-CG1 3.33Å; V25-I29 PolarHBondContact O-N 3.3Å; I29-S31 VanDerWaalsContact C-N 3.29Å; I29-S31 PolarHBondContact O-N 3.08Å; I29-A32 PolarHBondContact O-N 3.17Å; I29-A32 VanDerWaalsContact O-N 3.12Å; I29-L33 HydrophobicContact CG2-CD1 3.93Å; I29-L33 HydrophobicContact CG2-CG 4.14Å; I29-L33 WeakPolarHBondContact O-CG 3.27Å; I29-L33 PolarHBondContact O-N 3.17Å; I29-F56 HydrophobicContact CG1-CZ 4.25Å; I29-L112 HydrophobicContact CB-CD1 3.69Å; I29-L112 HydrophobicContact CG2-CD1 3.74Å; I29-L124 WeakPolarHBondContact CG2-O 3.34Å; I29-S199 VanDerWaalsContact CD1-OG 3.24Å; I29-S199 WeakPolarHBondContact CD1-OG 3.44Å
30	G	98.3	Very high	94.1	Very high	25 Å²	25	38.5 Å²	38.5	26%	0.258	23%	0.23	S	C	.	.	H	α-helix	trans	-56	-44.3	174.2	0	0	0	0	0	112.2	F26 L33 G34	F26-G30 WeakPolarHBondContact O-CA 3.13Å; F26-G30 PolarHBondContact O-N 2.81Å; G30-L33 PolarHBondContact O-N 2.97Å; G30-G34 PolarHBondContact O-N 3.13Å; G30-G34 VanDerWaalsContact O-N 3.13Å
31	S	98.2	Very high	92.4	Very high	27 Å²	27	43.1 Å²	43.1	19%	0.189	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-43.8	174.4	-176.2	0	0	0	0	112.4	I27 S28 I29 L33 G34 K51 A55	I27-S31 WeakPolarHBondContact O-CB 3.12Å; I27-S31 PolarHBondContact O-N 3.06Å; S28-S31 PolarHBondContact O-N 2.98Å; I29-S31 VanDerWaalsContact C-N 3.29Å; I29-S31 PolarHBondContact O-N 3.08Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-L33 PolarHBondContact O-N 3.13Å; S31-G34 PolarHBondContact O-N 3.35Å; S31-G34 VanDerWaalsContact O-N 3.17Å; S31-K51 WeakPolarHBondContact O-CE 3.3Å; S31-K51 PolarHBondContact O-NZ 3.43Å; S31-K51 VanDerWaalsContact O-NZ 3.13Å; S31-K51 WeakPolarHBondContact OG-CE 3.29Å; S31-A55 VanDerWaalsContact CB-CB 3.5Å; S31-A55 WeakPolarHBondContact OG-CB 3.29Å
32	A	97.9	Very high	90.7	Very high	12 Å²	12	51.6 Å²	51.6	10%	0.099	30%	0.299	C	S	.	.	H	α-helix	trans	-67.3	-28.9	179.5	0	0	0	0	0	113.8	S28 I29 F35 Q47 V52 F56	S28-A32 PolarHBondContact O-N 3.47Å; I29-A32 PolarHBondContact O-N 3.17Å; I29-A32 VanDerWaalsContact O-N 3.12Å; A32-F35 WeakPolarHBondContact O-CD1 3.45Å; A32-F35 WeakPolarHBondContact O-CE1 3.46Å; A32-Q47 PolarHBondContact O-NE2 2.72Å; A32-V52 HydrophobicContact CB-CG1 4.05Å; A32-V52 HydrophobicContact CB-CG2 4Å; A32-F56 HydrophobicContact CB-CE2 4.49Å
33	L	96.2	Very high	88.9	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-80.6	-22.4	173.4	-67.3	174.5	0	0	0	112.6	I29 G30 S31 F35 K36 T116 L124	I29-L33 HydrophobicContact CG2-CD1 3.93Å; I29-L33 HydrophobicContact CG2-CG 4.14Å; I29-L33 WeakPolarHBondContact O-CG 3.27Å; I29-L33 PolarHBondContact O-N 3.17Å; G30-L33 PolarHBondContact O-N 2.97Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-L33 PolarHBondContact O-N 3.13Å; L33-F35 PolarHBondContact O-N 2.9Å; L33-F35 VanDerWaalsContact O-N 3.08Å; L33-K36 WeakPolarHBondContact O-CB 3.36Å; L33-K36 PolarHBondContact O-N 3.23Å; L33-T116 HydrophobicContact CD1-CG2 4.34Å; L33-L124 HydrophobicContact CD1-CD2 4.34Å
34	G	94.4	Very high	87.6	Confident	26 Å²	26	60.3 Å²	60.3	27%	0.268	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-59.8	-24.4	-170.2	0	0	0	0	0	115.5	G30 S31 K36 Y37	G30-G34 PolarHBondContact O-N 3.13Å; G30-G34 VanDerWaalsContact O-N 3.13Å; S31-G34 PolarHBondContact O-N 3.35Å; S31-G34 VanDerWaalsContact O-N 3.17Å; G34-K36 PolarHBondContact O-N 2.88Å; G34-Y37 PolarHBondContact O-N 3.38Å
35	F	92.6	Very high	87	Confident	58 Å²	58	62.8 Å²	62.8	25%	0.254	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-66.8	-17.6	176.3	83.8	-75.6	0	0	0	113.1	A32 L33 Y37 A45 Q47	A32-F35 WeakPolarHBondContact O-CD1 3.45Å; A32-F35 WeakPolarHBondContact O-CE1 3.46Å; L33-F35 PolarHBondContact O-N 2.9Å; L33-F35 VanDerWaalsContact O-N 3.08Å; F35-Y37 PolarHBondContact O-N 3.34Å; F35-A45 HydrophobicContact CD2-CB 4.19Å; F35-A45 WeakPolarHBondContact CD2-O 3.14Å; F35-A45 WeakPolarHBondContact O-CB 3.07Å; F35-Q47 VanDerWaalsContact CD1-NE2 3.32Å; F35-Q47 VanDerWaalsContact CE1-NE2 3.26Å; F35-Q47 HydrophobicContact CE2-CB 4.5Å; F35-Q47 HydrophobicContact CZ-CB 4.5Å
36	K	90.8	Very high	86.6	Confident	74 Å²	74	69 Å²	69	32%	0.322	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-79.3	1.2	175.7	-62.6	-175.5	170.9	-169.7	0	113.4	L33 G34 L119	L33-K36 WeakPolarHBondContact O-CB 3.36Å; L33-K36 PolarHBondContact O-N 3.23Å; G34-K36 PolarHBondContact O-N 2.88Å; K36-L119 HydrophobicContact CB-CD2 3.79Å; K36-L119 HydrophobicContact CB-CG 4.29Å; K36-L119 HydrophobicContact CD-CD2 3.46Å; K36-L119 VanDerWaalsContact CD-CD2 3.46Å; K36-L119 HydrophobicContact CD-CG 4.41Å; K36-L119 HydrophobicContact CG-CD2 4.23Å
37	Y	90.1	Very high	86.4	Confident	90 Å²	90	68.4 Å²	68.4	35%	0.353	40%	0.402	S	S	.	.			trans	-110.4	143.3	177.5	-77.5	-84.5	0	0	0	111.7	G34 F35 V39 T116 S118 L119	G34-Y37 PolarHBondContact O-N 3.38Å; F35-Y37 PolarHBondContact O-N 3.34Å; Y37-V39 HydrophobicContact CD1-CG2 3.81Å; Y37-V39 HydrophobicContact CE1-CG2 3.72Å; Y37-V39 HydrophobicContact CG-CG2 4.48Å; Y37-T116 HydrophobicContact CE2-CG2 4.26Å; Y37-T116 WeakPolarHBondContact OH-CA 3.41Å; Y37-S118 PolarHBondContact OH-OG 3.02Å; Y37-L119 HydrophobicContact CD2-CD1 3.95Å; Y37-L119 HydrophobicContact CE1-CD1 3.84Å; Y37-L119 HydrophobicContact CE2-CD1 3.13Å; Y37-L119 HydrophobicContact CE2-CG 4.42Å; Y37-L119 WeakPolarHBondContact OH-CD1 3.46Å
38	P	82.4	Confident	86.4	Confident	89 Å²	89	68.6 Å²	68.6	58%	0.578	40%	0.404	S	S	*	.	S	Bend	cis	-74.3	142.2	-0.4	30.7	-34.7	0	0	0	112.9
39	V	77.7	Confident	86.3	Confident	71 Å²	71	70.5 Å²	70.5	43%	0.43	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	130.3	178.3	-176.6	0	0	0	0	109.2	Y37 L119	Y37-V39 HydrophobicContact CD1-CG2 3.81Å; Y37-V39 HydrophobicContact CE1-CG2 3.72Å; Y37-V39 HydrophobicContact CG-CG2 4.48Å; V39-L119 HydrophobicContact CG2-CD1 3.9Å; V39-L119 HydrophobicContact CG2-CG 4.46Å
40	G	69.4	Low	86.3	Confident	69 Å²	69	74.4 Å²	74.4	71%	0.711	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	-6	170.9	0	0	0	0	0	116.3
41	N	64.2	Low	86.3	Confident	100 Å²	100	77 Å²	77	54%	0.535	44%	0.442	S	S	.	.			trans	-75.6	131	162.9	-79.2	-8.7	0	0	0	108.1	Q43	N41-Q43 PolarHBondContact O-N 3.05Å
42	N	61.9	Low	86.4	Confident	178 Å²	178	76 Å²	76	95%	0.952	44%	0.435	S	S	*	.	S	Bend	trans	-62.3	22.1	173.4	-79.2	-12.7	0	0	0	113.8
43	Q	61.7	Low	86.4	Confident	158 Å²	158	75.5 Å²	75.5	74%	0.738	43%	0.431	S	S	*	.			trans	-90.8	116.9	176.1	-72.6	-179.2	-15.6	0	0	109.1	N41 A45	N41-Q43 PolarHBondContact O-N 3.05Å; Q43-A45 VanDerWaalsContact C-N 3.33Å; Q43-A45 PolarHBondContact O-N 3.03Å
44	T	71.3	Confident	86.5	Confident	134 Å²	134	78.9 Å²	78.9	82%	0.822	45%	0.448	S	S	*	.			trans	-73.2	88.5	166.4	48.7	0	0	0	0	108.8
45	A	86.6	Confident	86.7	Confident	56 Å²	56	78.3 Å²	78.3	46%	0.463	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-66.8	135.7	168.5	0	0	0	0	0	109.7	F35 Q43	F35-A45 HydrophobicContact CD2-CB 4.19Å; F35-A45 WeakPolarHBondContact CD2-O 3.14Å; F35-A45 WeakPolarHBondContact O-CB 3.07Å; Q43-A45 VanDerWaalsContact C-N 3.33Å; Q43-A45 PolarHBondContact O-N 3.03Å
46	V	91.3	Very high	87	Confident	129 Å²	129	75.7 Å²	75.7	78%	0.782	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-94.6	140.1	176.1	-177.4	0	0	0	0	108.5
47	Q	94.4	Very high	87.4	Confident	56 Å²	56	72.2 Å²	72.2	26%	0.262	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-60.4	138.4	175.8	-178.6	67.1	-84.5	0	0	110.4	A32 F35 V52	A32-Q47 PolarHBondContact O-NE2 2.72Å; F35-Q47 VanDerWaalsContact CD1-NE2 3.32Å; F35-Q47 VanDerWaalsContact CE1-NE2 3.26Å; F35-Q47 HydrophobicContact CE2-CB 4.5Å; F35-Q47 HydrophobicContact CZ-CB 4.5Å; Q47-V52 HydrophobicContact CG-CG2 4.23Å
48	D	97.3	Very high	87.8	Confident	83 Å²	83	72 Å²	72	44%	0.444	42%	0.42	S	S	.	.			trans	-98.4	102.7	172.7	-178.8	-23	0	0	0	109.3	V50 K51 V52	D48-V50 VanDerWaalsContact C-N 3.27Å; D48-V50 PolarHBondContact O-N 3Å; D48-V50 WeakPolarHBondContact OD1-CA 3.43Å; D48-V50 WeakPolarHBondContact OD1-CB 3.46Å; D48-V50 PolarHBondContact OD1-N 2.93Å; D48-K51 HydrophobicContact CB-CB 3.75Å; D48-K51 HydrophobicContact CB-CD 4.5Å; D48-K51 WeakPolarHBondContact O-CB 3.39Å; D48-K51 PolarHBondContact O-N 3.38Å; D48-K51 PolarHBondContact OD1-N 3.44Å; D48-V52 WeakPolarHBondContact O-CG2 3.38Å; D48-V52 PolarHBondContact O-N 3.43Å
49	N	97.9	Very high	88.6	Confident	40 Å²	40	68.1 Å²	68.1	21%	0.214	40%	0.395	C	S	.	.	H	α-helix	trans	-64.6	-30.5	-177.9	-71.2	3.9	0	0	0	112.5	S53 I184 D185	N49-S53 WeakPolarHBondContact O-CB 3.41Å; N49-S53 PolarHBondContact O-N 2.99Å; N49-S53 PolarHBondContact O-OG 2.91Å; N49-I184 HydrophobicContact CB-CD1 4.42Å; N49-I184 WeakPolarHBondContact OD1-CG2 3.22Å; N49-D185 VanDerWaalsContact ND2-CG 3.31Å; N49-D185 PolarHBondContact ND2-OD1 3.06Å; N49-D185 PolarHBondContact ND2-OD2 3.36Å
50	V	98.6	Very high	89.6	Confident	82 Å²	82	65.4 Å²	65.4	50%	0.497	38%	0.378	S	S	.	.	H	α-helix	trans	-71.4	-45.1	177.3	176.9	0	0	0	0	109.7	D48 V52 S53 L54 L181	D48-V50 VanDerWaalsContact C-N 3.27Å; D48-V50 PolarHBondContact O-N 3Å; D48-V50 WeakPolarHBondContact OD1-CA 3.43Å; D48-V50 WeakPolarHBondContact OD1-CB 3.46Å; D48-V50 PolarHBondContact OD1-N 2.93Å; V50-V52 VanDerWaalsContact C-N 3.34Å; V50-V52 PolarHBondContact O-N 3.16Å; V50-S53 PolarHBondContact O-N 3.06Å; V50-L54 HydrophobicContact CG1-CD1 3.83Å; V50-L54 HydrophobicContact CG1-CG 4.24Å; V50-L54 WeakPolarHBondContact O-CB 3.5Å; V50-L54 WeakPolarHBondContact O-CG 3Å; V50-L54 PolarHBondContact O-N 3.48Å; V50-L181 HydrophobicContact CG2-CD2 4.22Å
51	K	98.5	Very high	91	Very high	80 Å²	80	62.6 Å²	62.6	35%	0.348	35%	0.348	S	S	.	.	H	α-helix	trans	-55.2	-49.3	173.6	176.3	-166.6	168.7	-165.7	0	111.3	S31 D48 A55	S31-K51 WeakPolarHBondContact O-CE 3.3Å; S31-K51 PolarHBondContact O-NZ 3.43Å; S31-K51 VanDerWaalsContact O-NZ 3.13Å; S31-K51 WeakPolarHBondContact OG-CE 3.29Å; D48-K51 HydrophobicContact CB-CB 3.75Å; D48-K51 HydrophobicContact CB-CD 4.5Å; D48-K51 WeakPolarHBondContact O-CB 3.39Å; D48-K51 PolarHBondContact O-N 3.38Å; D48-K51 PolarHBondContact OD1-N 3.44Å; K51-A55 VanDerWaalsContact O-CB 3.31Å; K51-A55 WeakPolarHBondContact O-CB 3.42Å; K51-A55 PolarHBondContact O-N 3.45Å
52	V	98.6	Very high	92.7	Very high	7 Å²	7	62 Å²	62	4%	0.042	35%	0.348	C	S	.	.	H	α-helix	trans	-64.8	-47.7	-179.9	177.9	0	0	0	0	110.5	A32 Q47 D48 V50 L54 A55 F56 I184	A32-V52 HydrophobicContact CB-CG1 4.05Å; A32-V52 HydrophobicContact CB-CG2 4Å; Q47-V52 HydrophobicContact CG-CG2 4.23Å; D48-V52 WeakPolarHBondContact O-CG2 3.38Å; D48-V52 PolarHBondContact O-N 3.43Å; V50-V52 VanDerWaalsContact C-N 3.34Å; V50-V52 PolarHBondContact O-N 3.16Å; V52-L54 VanDerWaalsContact C-N 3.33Å; V52-L54 PolarHBondContact O-N 3.28Å; V52-A55 WeakPolarHBondContact O-CB 3.39Å; V52-A55 PolarHBondContact O-N 2.93Å; V52-A55 VanDerWaalsContact O-N 3.1Å; V52-F56 HydrophobicContact CG1-CD2 3.74Å; V52-F56 HydrophobicContact CG1-CE2 3.75Å; V52-F56 WeakPolarHBondContact O-CD2 3.23Å; V52-F56 PolarHBondContact O-N 3.26Å; V52-I184 HydrophobicContact CB-CD1 3.84Å; V52-I184 HydrophobicContact CG1-CD1 3.68Å; V52-I184 HydrophobicContact CG1-CG1 4.5Å
53	S	98.8	Very high	94.4	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.007	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-43.9	-179.9	-59.4	0	0	0	0	112.5	N49 V50 G57 A177 H180 L181	N49-S53 WeakPolarHBondContact O-CB 3.41Å; N49-S53 PolarHBondContact O-N 2.99Å; N49-S53 PolarHBondContact O-OG 2.91Å; V50-S53 PolarHBondContact O-N 3.06Å; S53-G57 PolarHBondContact O-N 3.38Å; S53-A177 WeakPolarHBondContact O-CA 3.46Å; S53-A177 WeakPolarHBondContact O-CB 3.36Å; S53-H180 VanDerWaalsContact OG-C 3.29Å; S53-H180 VanDerWaalsContact OG-CB 3.3Å; S53-H180 WeakPolarHBondContact OG-CB 3.48Å; S53-L181 PolarHBondContact OG-N 2.89Å; S53-L181 VanDerWaalsContact OG-N 3.11Å
54	L	98.8	Very high	96.2	Very high	75 Å²	75	47.2 Å²	47.2	39%	0.393	28%	0.276	S	S	.	.	H	α-helix	trans	-67.3	-38.7	175	-70.5	176.8	0	0	0	111.9	V50 V52 F56 G57 L58	V50-L54 HydrophobicContact CG1-CD1 3.83Å; V50-L54 HydrophobicContact CG1-CG 4.24Å; V50-L54 WeakPolarHBondContact O-CB 3.5Å; V50-L54 WeakPolarHBondContact O-CG 3Å; V50-L54 PolarHBondContact O-N 3.48Å; V52-L54 VanDerWaalsContact C-N 3.33Å; V52-L54 PolarHBondContact O-N 3.28Å; L54-F56 PolarHBondContact O-N 2.88Å; L54-G57 PolarHBondContact O-N 2.98Å; L54-L58 HydrophobicContact CB-CD1 4.36Å; L54-L58 WeakPolarHBondContact O-CB 3.41Å; L54-L58 VanDerWaalsContact O-CG 3.22Å; L54-L58 WeakPolarHBondContact O-CG 3.24Å; L54-L58 PolarHBondContact O-N 3Å
55	A	98.8	Very high	97.4	Very high	15 Å²	15	46.4 Å²	46.4	12%	0.124	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-46.5	177.5	0	0	0	0	0	111.7	S31 K51 V52 S59	S31-A55 VanDerWaalsContact CB-CB 3.5Å; S31-A55 WeakPolarHBondContact OG-CB 3.29Å; K51-A55 VanDerWaalsContact O-CB 3.31Å; K51-A55 WeakPolarHBondContact O-CB 3.42Å; K51-A55 PolarHBondContact O-N 3.45Å; V52-A55 WeakPolarHBondContact O-CB 3.39Å; V52-A55 PolarHBondContact O-N 2.93Å; V52-A55 VanDerWaalsContact O-N 3.1Å; A55-S59 WeakPolarHBondContact O-CB 3.4Å; A55-S59 PolarHBondContact O-N 3.38Å; A55-S59 VanDerWaalsContact O-N 3.1Å; A55-S59 PolarHBondContact O-OG 3.39Å
56	F	98.8	Very high	98	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-65.2	-48.4	175.5	-83.7	-95.2	0	0	0	111.8	F24 S28 I29 A32 V52 L54 S59 I60 V176 H180 R195	F24-F56 HydrophobicContact CE2-CB 4.5Å; F24-F56 AromaticContact CE2-CD1 3.65Å; F24-F56 HydrophobicContact CE2-CD1 3.65Å; F24-F56 HydrophobicContact CE2-CE1 4.34Å; F24-F56 HydrophobicContact CE2-CG 4.45Å; F24-F56 AromaticContact CZ-CD1 3.65Å; F24-F56 HydrophobicContact CZ-CD1 3.65Å; F24-F56 HydrophobicContact CZ-CE1 4.09Å; S28-F56 VanDerWaalsContact CB-CD1 3.45Å; S28-F56 VanDerWaalsContact CB-CE1 3.4Å; S28-F56 VanDerWaalsContact CB-CZ 3.45Å; I29-F56 HydrophobicContact CG1-CZ 4.25Å; A32-F56 HydrophobicContact CB-CE2 4.49Å; V52-F56 HydrophobicContact CG1-CD2 3.74Å; V52-F56 HydrophobicContact CG1-CE2 3.75Å; V52-F56 WeakPolarHBondContact O-CD2 3.23Å; V52-F56 PolarHBondContact O-N 3.26Å; L54-F56 PolarHBondContact O-N 2.88Å; F56-S59 PolarHBondContact O-N 3.48Å; F56-I60 PolarHBondContact O-N 3.47Å; F56-I60 VanDerWaalsContact O-N 3.17Å; F56-V176 HydrophobicContact CB-CG1 4.17Å; F56-H180 AromaticContact CD1-CE1 3.65Å; F56-H180 AromaticContact CD1-NE2 3.14Å; F56-H180 WeakPolarHBondContact CD1-NE2 3.37Å; F56-H180 AromaticContact CD2-CD2 3.69Å; F56-H180 AromaticContact CD2-NE2 3.65Å; F56-H180 AromaticContact CE1-NE2 3.68Å; F56-H180 AromaticContact CG-CD2 3.57Å; F56-H180 AromaticContact CG-CE1 3.68Å; F56-H180 AromaticContact CG-NE2 3.13Å; F56-H180 WeakPolarHBondContact CG-NE2 2.98Å; F56-R195 HydrophobicContact CE1-CG 4.12Å
57	G	98.8	Very high	98.3	Very high	2 Å²	2	41.7 Å²	41.7	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-46.5	-176.7	0	0	0	0	0	114.1	S53 L54 S59 I60 A61 G173	S53-G57 PolarHBondContact O-N 3.38Å; L54-G57 PolarHBondContact O-N 2.98Å; G57-S59 VanDerWaalsContact C-N 3.33Å; G57-S59 PolarHBondContact O-N 2.98Å; G57-I60 PolarHBondContact O-N 3.49Å; G57-A61 PolarHBondContact O-N 3.32Å; G57-G173 CarbonylContact C-O 3.12Å; G57-G173 WeakPolarHBondContact CA-O 3.26Å; G57-G173 CarbonylContact O-C 3.3Å; G57-G173 WeakPolarHBondContact O-CA 3.27Å
58	L	98.9	Very high	98.4	Very high	84 Å²	84	40.1 Å²	40.1	44%	0.44	23%	0.23	S	C	.	.	H	α-helix	trans	-68.2	-33.9	177.6	-63.4	178.6	0	0	0	111.7	L54 I60 A61 T62	L54-L58 HydrophobicContact CB-CD1 4.36Å; L54-L58 WeakPolarHBondContact O-CB 3.41Å; L54-L58 VanDerWaalsContact O-CG 3.22Å; L54-L58 WeakPolarHBondContact O-CG 3.24Å; L54-L58 PolarHBondContact O-N 3Å; L58-I60 VanDerWaalsContact C-N 3.31Å; L58-I60 PolarHBondContact O-N 3.33Å; L58-A61 PolarHBondContact O-N 2.94Å; L58-T62 WeakPolarHBondContact O-CB 3.44Å; L58-T62 PolarHBondContact O-N 3.07Å; L58-T62 PolarHBondContact O-OG1 3.35Å
59	S	98.8	Very high	98.3	Very high	9 Å²	9	43.2 Å²	43.2	6%	0.063	24%	0.241	C	C	.	.	H	α-helix	trans	-58.5	-45.4	172	-65.1	0	0	0	0	111.1	I27 S28 A55 F56 G57 L63	I27-S59 WeakPolarHBondContact CG2-OG 3.26Å; S28-S59 PolarHBondContact OG-OG 3.48Å; A55-S59 WeakPolarHBondContact O-CB 3.4Å; A55-S59 PolarHBondContact O-N 3.38Å; A55-S59 VanDerWaalsContact O-N 3.1Å; A55-S59 PolarHBondContact O-OG 3.39Å; F56-S59 PolarHBondContact O-N 3.48Å; G57-S59 VanDerWaalsContact C-N 3.33Å; G57-S59 PolarHBondContact O-N 2.98Å; S59-L63 VanDerWaalsContact O-CB 3.29Å; S59-L63 WeakPolarHBondContact O-CB 3.31Å; S59-L63 WeakPolarHBondContact O-CD1 3.48Å; S59-L63 WeakPolarHBondContact O-CG 3.38Å; S59-L63 PolarHBondContact O-N 3.33Å
60	I	98.7	Very high	98.2	Very high	14 Å²	14	44.8 Å²	44.8	7%	0.072	25%	0.249	C	C	.	.	H	α-helix	trans	-66.1	-43.9	175.9	-66.4	-64.4	0	0	0	111.5	F24 F56 G57 L58 T62 L63 A64 L75 I172 V176	F24-I60 HydrophobicContact CD1-CD1 4.19Å; F24-I60 HydrophobicContact CD2-CD1 3.59Å; F24-I60 HydrophobicContact CD2-CG1 3.86Å; F24-I60 HydrophobicContact CE1-CD1 4.26Å; F24-I60 HydrophobicContact CE2-CD1 3.68Å; F24-I60 HydrophobicContact CE2-CG1 3.63Å; F24-I60 HydrophobicContact CG-CD1 3.86Å; F24-I60 HydrophobicContact CZ-CD1 4.01Å; F24-I60 HydrophobicContact CZ-CG1 4.2Å; F56-I60 PolarHBondContact O-N 3.47Å; F56-I60 VanDerWaalsContact O-N 3.17Å; G57-I60 PolarHBondContact O-N 3.49Å; L58-I60 VanDerWaalsContact C-N 3.31Å; L58-I60 PolarHBondContact O-N 3.33Å; I60-T62 PolarHBondContact O-N 3.21Å; I60-L63 PolarHBondContact O-N 2.89Å; I60-A64 WeakPolarHBondContact O-CB 3.26Å; I60-A64 PolarHBondContact O-N 3.37Å; I60-L75 HydrophobicContact CD1-CB 4.16Å; I60-L75 HydrophobicContact CD1-CD2 3.85Å; I60-I172 HydrophobicContact CG2-CG2 3.93Å; I60-V176 HydrophobicContact CB-CG2 4.2Å; I60-V176 HydrophobicContact CG1-CB 4.44Å; I60-V176 HydrophobicContact CG1-CG1 4.15Å; I60-V176 HydrophobicContact CG1-CG2 4.07Å; I60-V176 HydrophobicContact CG2-CG2 4.04Å
61	A	98.7	Very high	98.1	Very high	10 Å²	10	41 Å²	41	8%	0.083	23%	0.226	C	C	.	.	H	α-helix	trans	-57	-48.6	176.2	0	0	0	0	0	111.9	G57 L58 Q65 P169 L170	G57-A61 PolarHBondContact O-N 3.32Å; L58-A61 PolarHBondContact O-N 2.94Å; A61-Q65 VanDerWaalsContact O-CB 3.3Å; A61-Q65 WeakPolarHBondContact O-CB 3.4Å; A61-Q65 PolarHBondContact O-N 2.65Å; A61-P169 WeakPolarHBondContact CA-O 3.4Å; A61-P169 WeakPolarHBondContact O-CB 3.35Å; A61-L170 HydrophobicContact CB-CD1 4.34Å
62	T	98.8	Very high	98	Very high	86 Å²	86	39.4 Å²	39.4	53%	0.528	23%	0.232	S	C	.	.	H	α-helix	trans	-64.6	-44.6	-179.8	-62.3	0	0	0	0	111.3	L58 I60 Q65 S66	L58-T62 WeakPolarHBondContact O-CB 3.44Å; L58-T62 PolarHBondContact O-N 3.07Å; L58-T62 PolarHBondContact O-OG1 3.35Å; I60-T62 PolarHBondContact O-N 3.21Å; T62-Q65 PolarHBondContact O-N 3.09Å; T62-S66 VanDerWaalsContact O-CB 3.31Å; T62-S66 WeakPolarHBondContact O-CB 3.18Å; T62-S66 PolarHBondContact O-N 3.16Å; T62-S66 PolarHBondContact O-OG 3.25Å
63	L	98.7	Very high	98	Very high	13 Å²	13	39.7 Å²	39.7	7%	0.068	24%	0.235	C	C	.	.	H	α-helix	trans	-73.9	-37.2	-177.5	-67.9	166.3	0	0	0	111.9	A20 L23 F24 S59 I60 Q65 S66 V67 L75	A20-L63 HydrophobicContact CB-CD2 4.33Å; A20-L63 WeakPolarHBondContact O-CD1 3.49Å; L23-L63 HydrophobicContact CB-CD1 4.31Å; L23-L63 HydrophobicContact CB-CD2 4.09Å; L23-L63 HydrophobicContact CD1-CD2 4.04Å; F24-L63 HydrophobicContact CB-CD1 3.54Å; S59-L63 VanDerWaalsContact O-CB 3.29Å; S59-L63 WeakPolarHBondContact O-CB 3.31Å; S59-L63 WeakPolarHBondContact O-CD1 3.48Å; S59-L63 WeakPolarHBondContact O-CG 3.38Å; S59-L63 PolarHBondContact O-N 3.33Å; I60-L63 PolarHBondContact O-N 2.89Å; L63-Q65 VanDerWaalsContact C-N 3.31Å; L63-Q65 PolarHBondContact O-N 3.43Å; L63-S66 PolarHBondContact O-N 2.82Å; L63-S66 VanDerWaalsContact O-N 3.11Å; L63-V67 VanDerWaalsContact O-CG2 3.32Å; L63-V67 WeakPolarHBondContact O-CG2 3.19Å; L63-V67 PolarHBondContact O-N 3.3Å; L63-L75 HydrophobicContact CB-CD2 3.84Å; L63-L75 HydrophobicContact CD1-CD2 3.78Å; L63-L75 HydrophobicContact CG-CD2 4.45Å
64	A	98.2	Very high	98	Very high	13 Å²	13	40.5 Å²	40.5	11%	0.107	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-38.9	171	0	0	0	0	0	111.9	I60 S66 G68 A73 P169	I60-A64 WeakPolarHBondContact O-CB 3.26Å; I60-A64 PolarHBondContact O-N 3.37Å; A64-S66 VanDerWaalsContact C-N 3.3Å; A64-S66 PolarHBondContact O-N 2.91Å; A64-G68 WeakPolarHBondContact O-CA 3.46Å; A64-G68 PolarHBondContact O-N 3.45Å; A64-A73 HydrophobicContact CB-CB 3.99Å; A64-P169 HydrophobicContact CB-CB 3.87Å; A64-P169 HydrophobicContact CB-CG 4.38Å
65	Q	98.3	Very high	97.9	Very high	117 Å²	117	37 Å²	37	55%	0.547	22%	0.221	S	C	.	.	H	α-helix	trans	-65.4	-36.1	172.6	-175.1	61.4	61	0	0	112	A61 T62 L63 P169	A61-Q65 VanDerWaalsContact O-CB 3.3Å; A61-Q65 WeakPolarHBondContact O-CB 3.4Å; A61-Q65 PolarHBondContact O-N 2.65Å; T62-Q65 PolarHBondContact O-N 3.09Å; L63-Q65 VanDerWaalsContact C-N 3.31Å; L63-Q65 PolarHBondContact O-N 3.43Å; Q65-P169 HydrophobicContact CB-CB 3.95Å; Q65-P169 HydrophobicContact CB-CG 4.13Å
66	S	98.4	Very high	97.9	Very high	61 Å²	61	36.6 Å²	36.6	43%	0.427	22%	0.216	S	C	.	.	H	α-helix	trans	-80.2	-41.8	-173.1	-58.2	0	0	0	0	113.2	T62 L63 A64 H69	T62-S66 VanDerWaalsContact O-CB 3.31Å; T62-S66 WeakPolarHBondContact O-CB 3.18Å; T62-S66 PolarHBondContact O-N 3.16Å; T62-S66 PolarHBondContact O-OG 3.25Å; L63-S66 PolarHBondContact O-N 2.82Å; L63-S66 VanDerWaalsContact O-N 3.11Å; A64-S66 VanDerWaalsContact C-N 3.3Å; A64-S66 PolarHBondContact O-N 2.91Å; S66-H69 PolarHBondContact O-CE1 3.03Å
67	V	97.7	Very high	98	Very high	25 Å²	25	36.5 Å²	36.5	15%	0.152	22%	0.216	C	C	.	.	H	α-helix	trans	-125.4	2.1	-174.4	-56.7	0	0	0	0	114.5	A16 A20 L63 H69 I70 S71 A73	A16-V67 HydrophobicContact CB-CB 4.25Å; A20-V67 HydrophobicContact CB-CG2 3.74Å; L63-V67 VanDerWaalsContact O-CG2 3.32Å; L63-V67 WeakPolarHBondContact O-CG2 3.19Å; L63-V67 PolarHBondContact O-N 3.3Å; V67-H69 PolarHBondContact O-N 3Å; V67-I70 HydrophobicContact CB-CD1 4.4Å; V67-I70 HydrophobicContact CG1-CD1 4.35Å; V67-I70 WeakPolarHBondContact O-CA 3.42Å; V67-I70 WeakPolarHBondContact O-CB 3.26Å; V67-I70 PolarHBondContact O-N 3.09Å; V67-S71 PolarHBondContact O-N 2.85Å; V67-S71 VanDerWaalsContact O-N 3.07Å; V67-A73 HydrophobicContact CG2-CB 4.14Å
68	G	96.9	Very high	98	Very high	23 Å²	23	36.4 Å²	36.4	24%	0.237	22%	0.215	C	C	.	.	H	α-helix	trans	-57.6	-35.8	179.3	0	0	0	0	0	113.4	A64 I70 G72	A64-G68 WeakPolarHBondContact O-CA 3.46Å; A64-G68 PolarHBondContact O-N 3.45Å; G68-I70 PolarHBondContact O-N 3.28Å; G68-G72 VanDerWaalsContact O-CA 3.22Å; G68-G72 WeakPolarHBondContact O-CA 3.3Å; G68-G72 PolarHBondContact O-N 3.44Å
69	H	95.2	Very high	97.9	Very high	148 Å²	148	32.8 Å²	32.8	69%	0.685	20%	0.196	S	C	*	.	H	α-helix	trans	-72.1	-11.2	175.3	69.1	-82	0	0	0	114.1	S66 V67	S66-H69 PolarHBondContact O-CE1 3.03Å; V67-H69 PolarHBondContact O-N 3Å
70	I	96.2	Very high	97.9	Very high	74 Å²	74	32.3 Å²	32.3	38%	0.379	19%	0.193	S	C	.	.	H	α-helix	trans	-98.5	-46.6	-179.9	-52.7	177.4	0	0	0	110.6	R12 A13 A16 V67 G68	R12-I70 HydrophobicContact CB-CG2 4.29Å; A13-I70 WeakPolarHBondContact CB-O 3.48Å; A16-I70 HydrophobicContact CB-CB 4.32Å; A16-I70 HydrophobicContact CB-CG2 3.95Å; V67-I70 HydrophobicContact CB-CD1 4.4Å; V67-I70 HydrophobicContact CG1-CD1 4.35Å; V67-I70 WeakPolarHBondContact O-CA 3.42Å; V67-I70 WeakPolarHBondContact O-CB 3.26Å; V67-I70 PolarHBondContact O-N 3.09Å; G68-I70 PolarHBondContact O-N 3.28Å
71	S	96.2	Very high	97.9	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-121.9	-12.1	-173.5	69.4	0	0	0	0	115.9	A13 E17 V67 A73 Y97	A13-S71 WeakPolarHBondContact O-CB 3.43Å; E17-S71 WeakPolarHBondContact OE1-CB 3.32Å; E17-S71 PolarHBondContact OE1-OG 3.38Å; V67-S71 PolarHBondContact O-N 2.85Å; V67-S71 VanDerWaalsContact O-N 3.07Å; S71-A73 VanDerWaalsContact C-N 3.27Å; S71-A73 PolarHBondContact OG-N 3.16Å; S71-Y97 WeakPolarHBondContact CA-OH 3.45Å; S71-Y97 VanDerWaalsContact O-CE2 3.3Å; S71-Y97 WeakPolarHBondContact O-CE2 3.34Å; S71-Y97 PolarHBondContact O-OH 3.06Å
72	G	95.9	Very high	97.9	Very high	46 Å²	46	32.9 Å²	32.9	47%	0.474	20%	0.195	S	C	.	.			trans	87.3	-9.5	-161.5	0	0	0	0	0	113.6	G68	G68-G72 VanDerWaalsContact O-CA 3.22Å; G68-G72 WeakPolarHBondContact O-CA 3.3Å; G68-G72 PolarHBondContact O-N 3.44Å
73	A	97.8	Very high	97.8	Very high	13 Å²	13	29.4 Å²	29.4	11%	0.107	17%	0.173	C	C	.	.			trans	49	60.2	-179.8	0	0	0	0	0	113.9	E17 A64 V67 S71 L75	E17-A73 VanDerWaalsContact OE1-CA 3.25Å; E17-A73 WeakPolarHBondContact OE1-CA 3.49Å; E17-A73 PolarHBondContact OE1-N 2.7Å; A64-A73 HydrophobicContact CB-CB 3.99Å; V67-A73 HydrophobicContact CG2-CB 4.14Å; S71-A73 VanDerWaalsContact C-N 3.27Å; S71-A73 PolarHBondContact OG-N 3.16Å; A73-L75 VanDerWaalsContact CA-CD1 3.43Å; A73-L75 HydrophobicContact CB-CD1 3.74Å
74	H	98.5	Very high	97.7	Very high	17 Å²	17	30 Å²	30	8%	0.079	18%	0.176	C	C	.	.			trans	-72.1	-49	179.9	-64.2	-167.6	0	0	0	110.9	E17 N76 V79 T80 L83 Y97	E17-H74 PolarHBondContact OE1-N 3.21Å; H74-N76 VanDerWaalsContact O-CB 3.3Å; H74-N76 WeakPolarHBondContact O-CB 3.42Å; H74-N76 PolarHBondContact O-N 2.71Å; H74-V79 HydrophobicContact CB-CG1 4.23Å; H74-T80 WeakPolarHBondContact CB-OG1 3.4Å; H74-T80 WeakPolarHBondContact ND1-CA 3.45Å; H74-T80 PolarHBondContact ND1-OG1 3.08Å; H74-L83 WeakPolarHBondContact CE1-CD1 3.49Å; H74-L83 WeakPolarHBondContact NE2-CD1 3.46Å; H74-Y97 HydrophobicContact CB-CD2 4.47Å; H74-Y97 AromaticContact CE1-CD2 3.95Å; H74-Y97 AromaticContact CE1-CE2 3.93Å; H74-Y97 AromaticContact ND1-CD2 3.65Å; H74-Y97 AromaticContact ND1-CE2 4Å
75	L	98.6	Very high	97.7	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	19%	0.187	C	C	.	.			trans	51.8	13.7	179.4	-72.1	68.2	0	0	0	114.5	E17 A20 T21 F24 I60 L63 A73 N192	E17-L75 WeakPolarHBondContact OE2-CA 3.23Å; E17-L75 PolarHBondContact OE2-N 3.14Å; A20-L75 HydrophobicContact CB-CD1 3.83Å; A20-L75 HydrophobicContact CB-CD2 3.78Å; A20-L75 HydrophobicContact CB-CG 3.82Å; T21-L75 WeakPolarHBondContact OG1-CA 3.23Å; F24-L75 HydrophobicContact CB-CD2 4.03Å; I60-L75 HydrophobicContact CD1-CB 4.16Å; I60-L75 HydrophobicContact CD1-CD2 3.85Å; L63-L75 HydrophobicContact CB-CD2 3.84Å; L63-L75 HydrophobicContact CD1-CD2 3.78Å; L63-L75 HydrophobicContact CG-CD2 4.45Å; A73-L75 VanDerWaalsContact CA-CD1 3.43Å; A73-L75 HydrophobicContact CB-CD1 3.74Å; L75-N192 PolarHBondContact O-ND2 3.48Å
76	N	98.8	Very high	97.6	Very high	7 Å²	7	27 Å²	27	4%	0.037	16%	0.162	C	C	.	.	S	Bend	trans	-156.6	122	-166.4	-175.4	-20.5	0	0	0	110	H74 A78 V79 T80 Q101 I191 N192 P193	H74-N76 VanDerWaalsContact O-CB 3.3Å; H74-N76 WeakPolarHBondContact O-CB 3.42Å; H74-N76 PolarHBondContact O-N 2.71Å; N76-A78 VanDerWaalsContact C-N 3.26Å; N76-A78 PolarHBondContact O-N 3.41Å; N76-A78 WeakPolarHBondContact OD1-CB 3.3Å; N76-A78 PolarHBondContact OD1-N 3Å; N76-V79 HydrophobicContact CB-CB 4.06Å; N76-V79 HydrophobicContact CB-CG2 3.85Å; N76-V79 PolarHBondContact O-N 2.86Å; N76-T80 PolarHBondContact O-N 2.81Å; N76-T80 PolarHBondContact O-OG1 3.45Å; N76-Q101 PolarHBondContact O-OE1 2.9Å; N76-I191 PolarHBondContact ND2-O 3.26Å; N76-N192 HydrophobicContact CB-CB 4.42Å; N76-N192 WeakPolarHBondContact CB-ND2 3.32Å; N76-N192 VanDerWaalsContact CG-CG 3.45Å; N76-N192 WeakPolarHBondContact ND2-CB 3.34Å; N76-N192 WeakPolarHBondContact OD1-CA 3.42Å; N76-P193 WeakPolarHBondContact OD1-CD 3.37Å
77	P	98.9	Very high	97.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.8	-33.5	175.7	-30.7	38.2	0	0	0	114.2	T80 L81 I98 Q101 N192 P193 A194 F217	P77-T80 PolarHBondContact O-N 3.49Å; P77-L81 VanDerWaalsContact O-CB 3.31Å; P77-L81 WeakPolarHBondContact O-CB 3.22Å; P77-L81 PolarHBondContact O-N 2.89Å; P77-I98 HydrophobicContact CB-CD1 4.4Å; P77-I98 HydrophobicContact CB-CG1 3.93Å; P77-I98 HydrophobicContact CB-CG2 4.14Å; P77-I98 HydrophobicContact CG-CG1 4.41Å; P77-I98 HydrophobicContact CG-CG2 4.15Å; P77-Q101 VanDerWaalsContact CD-OE1 3.24Å; P77-N192 WeakPolarHBondContact CD-OD1 3.34Å; P77-P193 HydrophobicContact CB-CB 4.15Å; P77-P193 HydrophobicContact CB-CG 4.11Å; P77-P193 HydrophobicContact CG-CB 4.19Å; P77-A194 HydrophobicContact CG-CB 3.68Å; P77-F217 HydrophobicContact CB-CE1 3.89Å; P77-F217 HydrophobicContact CB-CZ 4.2Å
78	A	98.8	Very high	97.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-69.8	-38.2	178.6	0	0	0	0	0	112.5	N76 G82 T146 P193 P216 F217	N76-A78 VanDerWaalsContact C-N 3.26Å; N76-A78 PolarHBondContact O-N 3.41Å; N76-A78 WeakPolarHBondContact OD1-CB 3.3Å; N76-A78 PolarHBondContact OD1-N 3Å; A78-G82 PolarHBondContact O-N 3.37Å; A78-T146 HydrophobicContact CB-CG2 3.64Å; A78-P193 HydrophobicContact CB-CG 4.5Å; A78-P216 HydrophobicContact CB-CB 3.78Å; A78-F217 HydrophobicContact CB-CD1 4.24Å
79	V	98.8	Very high	96.9	Very high	7 Å²	7	23.7 Å²	23.7	4%	0.042	13%	0.133	C	C	.	.	H	α-helix	trans	-66.6	-43.7	172.3	175.3	0	0	0	0	110.4	H74 N76 L81 G82 L83 L149 V150 V153	H74-V79 HydrophobicContact CB-CG1 4.23Å; N76-V79 HydrophobicContact CB-CB 4.06Å; N76-V79 HydrophobicContact CB-CG2 3.85Å; N76-V79 PolarHBondContact O-N 2.86Å; V79-L81 VanDerWaalsContact C-N 3.35Å; V79-L81 PolarHBondContact O-N 3.18Å; V79-G82 PolarHBondContact O-N 3.24Å; V79-G82 VanDerWaalsContact O-N 3.17Å; V79-L83 HydrophobicContact CG1-CD1 4.24Å; V79-L83 PolarHBondContact O-N 2.92Å; V79-L149 HydrophobicContact CG2-CD2 4.36Å; V79-L149 HydrophobicContact CG2-CG 4.44Å; V79-V150 HydrophobicContact CG2-CG2 4.2Å; V79-V153 HydrophobicContact CG1-CB 4.5Å; V79-V153 HydrophobicContact CG1-CG1 3.93Å; V79-V153 HydrophobicContact CG1-CG2 4.29Å; V79-V153 HydrophobicContact CG2-CG2 4.41Å
80	T	98.6	Very high	96.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-44.5	177	-55.5	0	0	0	0	111.5	H74 N76 P77 L83 L84 I89 A94 I98 Q101	H74-T80 WeakPolarHBondContact CB-OG1 3.4Å; H74-T80 WeakPolarHBondContact ND1-CA 3.45Å; H74-T80 PolarHBondContact ND1-OG1 3.08Å; N76-T80 PolarHBondContact O-N 2.81Å; N76-T80 PolarHBondContact O-OG1 3.45Å; P77-T80 PolarHBondContact O-N 3.49Å; T80-L83 PolarHBondContact O-N 3.3Å; T80-L84 WeakPolarHBondContact O-CB 3.48Å; T80-L84 PolarHBondContact O-N 3.37Å; T80-I89 HydrophobicContact CG2-CD1 3.73Å; T80-I89 WeakPolarHBondContact O-CD1 3.5Å; T80-A94 HydrophobicContact CG2-CB 3.88Å; T80-I98 HydrophobicContact CG2-CD1 4.35Å; T80-I98 HydrophobicContact CG2-CG1 4.03Å; T80-Q101 PolarHBondContact OG1-NE2 3.38Å
81	L	98.5	Very high	96.9	Very high	36 Å²	36	16.5 Å²	16.5	19%	0.188	10%	0.099	C	C	.	.	H	α-helix	trans	-62.9	-42.8	174	-178.5	64.9	0	0	0	111.5	P77 V79 L83 L84 L85 F217	P77-L81 VanDerWaalsContact O-CB 3.31Å; P77-L81 WeakPolarHBondContact O-CB 3.22Å; P77-L81 PolarHBondContact O-N 2.89Å; V79-L81 VanDerWaalsContact C-N 3.35Å; V79-L81 PolarHBondContact O-N 3.18Å; L81-L83 PolarHBondContact O-N 3.45Å; L81-L84 HydrophobicContact CD1-CD2 4.41Å; L81-L84 WeakPolarHBondContact O-CB 3.24Å; L81-L84 PolarHBondContact O-N 2.71Å; L81-L85 HydrophobicContact CD1-CD1 4.3Å; L81-L85 HydrophobicContact CD1-CG 4.2Å; L81-L85 HydrophobicContact CG-CD1 4.04Å; L81-L85 HydrophobicContact CG-CG 4.35Å; L81-L85 WeakPolarHBondContact O-CG 3.15Å; L81-L85 PolarHBondContact O-N 3.24Å; L81-F217 HydrophobicContact CD2-CB 3.71Å; L81-F217 HydrophobicContact CD2-CD1 3.62Å; L81-F217 HydrophobicContact CD2-CD2 3.99Å; L81-F217 HydrophobicContact CD2-CE1 4.15Å; L81-F217 HydrophobicContact CD2-CE2 4.49Å; L81-F217 HydrophobicContact CD2-CG 3.51Å
82	G	98.2	Very high	96.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-56.5	-48.5	175.5	0	0	0	0	0	112.3	A78 V79 L84 L85 S86 V224	A78-G82 PolarHBondContact O-N 3.37Å; V79-G82 PolarHBondContact O-N 3.24Å; V79-G82 VanDerWaalsContact O-N 3.17Å; G82-L84 VanDerWaalsContact C-N 3.33Å; G82-L84 PolarHBondContact O-N 3.45Å; G82-L85 PolarHBondContact O-N 2.97Å; G82-S86 VanDerWaalsContact O-CB 3.31Å; G82-S86 WeakPolarHBondContact O-CB 3.41Å; G82-S86 PolarHBondContact O-N 3.24Å; G82-V224 WeakPolarHBondContact O-CG2 3.32Å
83	L	97.1	Very high	96.8	Very high	12 Å²	12	16.4 Å²	16.4	6%	0.063	9%	0.085	C	C	.	.	H	α-helix	trans	-68	-31.5	177.4	-70.4	171.5	0	0	0	112.9	H74 V79 T80 L81 C87 Q88 I89 L154	H74-L83 WeakPolarHBondContact CE1-CD1 3.49Å; H74-L83 WeakPolarHBondContact NE2-CD1 3.46Å; V79-L83 HydrophobicContact CG1-CD1 4.24Å; V79-L83 PolarHBondContact O-N 2.92Å; T80-L83 PolarHBondContact O-N 3.3Å; L81-L83 PolarHBondContact O-N 3.45Å; L83-C87 PolarHBondContact O-N 3.14Å; L83-Q88 HydrophobicContact CB-CB 4.47Å; L83-Q88 HydrophobicContact CD2-CB 4.24Å; L83-Q88 HydrophobicContact CD2-CG 4.42Å; L83-Q88 PolarHBondContact O-N 3Å; L83-I89 HydrophobicContact CB-CD1 4.25Å; L83-I89 HydrophobicContact CB-CG1 4.34Å; L83-I89 HydrophobicContact CB-CG2 4.43Å; L83-L154 HydrophobicContact CD2-CD2 4Å
84	L	96.9	Very high	96.8	Very high	27 Å²	27	15.9 Å²	15.9	14%	0.141	8%	0.081	C	C	.	.	H	α-helix	trans	-64.7	-49	172.7	177.7	64.4	0	0	0	111.5	T80 L81 G82 S86 C87 I89 I91 A94 W245	T80-L84 WeakPolarHBondContact O-CB 3.48Å; T80-L84 PolarHBondContact O-N 3.37Å; L81-L84 HydrophobicContact CD1-CD2 4.41Å; L81-L84 WeakPolarHBondContact O-CB 3.24Å; L81-L84 PolarHBondContact O-N 2.71Å; G82-L84 VanDerWaalsContact C-N 3.33Å; G82-L84 PolarHBondContact O-N 3.45Å; L84-S86 VanDerWaalsContact C-N 3.28Å; L84-S86 PolarHBondContact O-N 2.78Å; L84-C87 WeakPolarHBondContact O-CA 3.5Å; L84-C87 PolarHBondContact O-N 2.88Å; L84-I89 HydrophobicContact CB-CD1 4.15Å; L84-I89 HydrophobicContact CB-CG1 3.96Å; L84-I89 HydrophobicContact CD1-CG1 4.3Å; L84-I89 WeakPolarHBondContact CD1-O 3.39Å; L84-I91 HydrophobicContact CD1-CB 4.45Å; L84-I91 HydrophobicContact CD1-CG1 3.83Å; L84-A94 HydrophobicContact CB-CB 4.23Å; L84-A94 HydrophobicContact CD1-CB 4.2Å; L84-A94 HydrophobicContact CD2-CB 3.87Å; L84-A94 HydrophobicContact CG-CB 4.33Å; L84-W245 PolarHBondContact O-NE1 3.21Å
85	L	97.1	Very high	96.7	Very high	66 Å²	66	19.6 Å²	19.6	35%	0.346	10%	0.101	S	C	.	.	H	α-helix	trans	-66.6	-31.6	178.5	-67.3	176	0	0	0	111.7	L81 G82 C87 A221 V224	L81-L85 HydrophobicContact CD1-CD1 4.3Å; L81-L85 HydrophobicContact CD1-CG 4.2Å; L81-L85 HydrophobicContact CG-CD1 4.04Å; L81-L85 HydrophobicContact CG-CG 4.35Å; L81-L85 WeakPolarHBondContact O-CG 3.15Å; L81-L85 PolarHBondContact O-N 3.24Å; G82-L85 PolarHBondContact O-N 2.97Å; L85-C87 PolarHBondContact O-N 2.89Å; L85-A221 HydrophobicContact CD1-CB 3.83Å; L85-V224 HydrophobicContact CB-CB 4.39Å; L85-V224 HydrophobicContact CB-CG1 4.07Å; L85-V224 HydrophobicContact CB-CG2 4.12Å
86	S	95.6	Very high	96.7	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.007	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-4.1	171.5	-168.1	0	0	0	0	113.1	G82 L84 Q88 D228 R234 R241	G82-S86 VanDerWaalsContact O-CB 3.31Å; G82-S86 WeakPolarHBondContact O-CB 3.41Å; G82-S86 PolarHBondContact O-N 3.24Å; L84-S86 VanDerWaalsContact C-N 3.28Å; L84-S86 PolarHBondContact O-N 2.78Å; S86-Q88 VanDerWaalsContact C-N 3.33Å; S86-Q88 PolarHBondContact OG-NE2 3.41Å; S86-D228 VanDerWaalsContact CA-OD2 3.23Å; S86-D228 WeakPolarHBondContact CA-OD2 3.13Å; S86-D228 VanDerWaalsContact CB-OD2 3.23Å; S86-D228 WeakPolarHBondContact CB-OD2 3.42Å; S86-D228 PolarHBondContact OG-OD1 3.22Å; S86-D228 PolarHBondContact OG-OD2 3.02Å; S86-R234 PolarHBondContact OG-NH2 3.23Å; S86-R241 PolarHBondContact O-NH2 2.96Å
87	C	94.3	Very high	96.6	Very high	10 Å²	10	21.3 Å²	21.3	7%	0.068	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	41.1	-175.9	-56.2	0	0	0	0	112.4	L83 L84 L85 R241 V244	L83-C87 PolarHBondContact O-N 3.14Å; L84-C87 WeakPolarHBondContact O-CA 3.5Å; L84-C87 PolarHBondContact O-N 2.88Å; L85-C87 PolarHBondContact O-N 2.89Å; C87-R241 HydrophobicContact CB-CB 3.85Å; C87-R241 WeakPolarHBondContact CB-O 3.25Å; C87-V244 WeakPolarHBondContact O-CB 3.46Å; C87-V244 WeakPolarHBondContact O-CG1 3.24Å; C87-V244 WeakPolarHBondContact O-CG2 3.33Å
88	Q	92.3	Very high	96.6	Very high	23 Å²	23	23 Å²	23	11%	0.107	12%	0.118	C	C	.	.			trans	-103.3	-18.3	178	-59.8	-169.1	45.3	0	0	113	L83 S86 Q249	L83-Q88 HydrophobicContact CB-CB 4.47Å; L83-Q88 HydrophobicContact CD2-CB 4.24Å; L83-Q88 HydrophobicContact CD2-CG 4.42Å; L83-Q88 PolarHBondContact O-N 3Å; S86-Q88 VanDerWaalsContact C-N 3.33Å; S86-Q88 PolarHBondContact OG-NE2 3.41Å; Q88-Q249 WeakPolarHBondContact O-CG 3.39Å
89	I	93.7	Very high	96.6	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.031	14%	0.141	C	C	.	.	S	Bend	trans	-131.6	158.6	176.4	63.9	175.3	0	0	0	111.1	T80 L83 L84 A94	T80-I89 HydrophobicContact CG2-CD1 3.73Å; T80-I89 WeakPolarHBondContact O-CD1 3.5Å; L83-I89 HydrophobicContact CB-CD1 4.25Å; L83-I89 HydrophobicContact CB-CG1 4.34Å; L83-I89 HydrophobicContact CB-CG2 4.43Å; L84-I89 HydrophobicContact CB-CD1 4.15Å; L84-I89 HydrophobicContact CB-CG1 3.96Å; L84-I89 HydrophobicContact CD1-CG1 4.3Å; L84-I89 WeakPolarHBondContact CD1-O 3.39Å; I89-A94 HydrophobicContact CD1-CB 3.75Å; I89-A94 HydrophobicContact CG1-CB 4.4Å
90	S	94.8	Very high	96.6	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	14%	0.142	C	C	.	.			trans	-73.2	157.2	173.1	76.3	0	0	0	0	111.5	E4 F92 R93 A94 V244	E4-S90 WeakPolarHBondContact OE2-CB 3.33Å; E4-S90 PolarHBondContact OE2-OG 2.95Å; S90-F92 PolarHBondContact O-N 3.29Å; S90-R93 PolarHBondContact O-N 3.32Å; S90-R93 VanDerWaalsContact OG-CB 3.3Å; S90-R93 WeakPolarHBondContact OG-CB 3.36Å; S90-R93 PolarHBondContact OG-N 3.38Å; S90-A94 WeakPolarHBondContact O-CB 3.31Å; S90-A94 PolarHBondContact O-N 3.24Å; S90-V244 WeakPolarHBondContact CA-O 3.24Å
91	I	95.7	Very high	96.6	Very high	70 Å²	70	27.6 Å²	27.6	36%	0.359	14%	0.142	S	C	.	.	H	α-helix	trans	-60.7	-39.6	172.8	-66.7	168.7	0	0	0	110	L84 A94 L95 W245	L84-I91 HydrophobicContact CD1-CB 4.45Å; L84-I91 HydrophobicContact CD1-CG1 3.83Å; I91-A94 PolarHBondContact O-N 3.11Å; I91-L95 HydrophobicContact CG2-CD1 3.99Å; I91-L95 HydrophobicContact CG2-CG 4.35Å; I91-L95 WeakPolarHBondContact O-CG 3.21Å; I91-L95 PolarHBondContact O-N 3.19Å; I91-W245 HydrophobicContact CD1-CB 3.86Å; I91-W245 HydrophobicContact CD1-CD2 4.39Å; I91-W245 HydrophobicContact CD1-CE3 4.43Å; I91-W245 HydrophobicContact CD1-CG 4.18Å; I91-W245 HydrophobicContact CG1-CB 3.92Å; I91-W245 HydrophobicContact CG1-CG 4.11Å; I91-W245 PolarHBondContact N-O 3.35Å
92	F	94.7	Very high	96.7	Very high	39 Å²	39	26.5 Å²	26.5	17%	0.171	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-45.3	-179.3	-176.4	-111.2	0	0	0	112	M1 F5 F10 S90 L95 M96	M1-F92 HydrophobicContact CG-CB 4.17Å; F5-F92 HydrophobicContact CB-CE1 4.02Å; F5-F92 HydrophobicContact CB-CZ 4.41Å; F5-F92 HydrophobicContact CD2-CE1 4.24Å; F5-F92 AromaticContact CD2-CZ 3.88Å; F5-F92 HydrophobicContact CD2-CZ 3.88Å; F10-F92 HydrophobicContact CE1-CD1 4.25Å; F10-F92 AromaticContact CE1-CE1 3.57Å; F10-F92 HydrophobicContact CE1-CE1 3.57Å; F10-F92 HydrophobicContact CE1-CZ 4.34Å; F10-F92 AromaticContact CE2-CD1 3.92Å; F10-F92 HydrophobicContact CE2-CD1 3.92Å; F10-F92 HydrophobicContact CE2-CE1 4.08Å; F10-F92 AromaticContact CZ-CD1 3.54Å; F10-F92 HydrophobicContact CZ-CD1 3.54Å; F10-F92 AromaticContact CZ-CE1 3.31Å; F10-F92 HydrophobicContact CZ-CE1 3.31Å; F10-F92 HydrophobicContact CZ-CZ 4.25Å; S90-F92 PolarHBondContact O-N 3.29Å; F92-L95 PolarHBondContact O-N 2.89Å; F92-M96 HydrophobicContact CD2-CG 4.49Å; F92-M96 HydrophobicContact CE1-CG 4.12Å; F92-M96 HydrophobicContact CE2-CE 4.14Å; F92-M96 HydrophobicContact CE2-CG 4Å; F92-M96 HydrophobicContact CE2-SD 4.28Å; F92-M96 HydrophobicContact CZ-CG 3.77Å; F92-M96 HydrophobicContact CZ-SD 4.19Å; F92-M96 WeakPolarHBondContact O-CG 3.31Å; F92-M96 PolarHBondContact O-N 3.2Å
93	R	95	Very high	96.7	Very high	8 Å²	8	29.7 Å²	29.7	3%	0.03	16%	0.157	C	C	.	.	H	α-helix	trans	-59.5	-47.1	173.4	-175.4	-179.2	-68.8	-85	12.4	111.1	F10 S90 L95 M96 Y97 E252 Y253	F10-R93 HydrophobicContact CE2-CB 3.91Å; F10-R93 HydrophobicContact CE2-CG 4.17Å; S90-R93 PolarHBondContact O-N 3.32Å; S90-R93 VanDerWaalsContact OG-CB 3.3Å; S90-R93 WeakPolarHBondContact OG-CB 3.36Å; S90-R93 PolarHBondContact OG-N 3.38Å; R93-L95 VanDerWaalsContact C-N 3.33Å; R93-L95 PolarHBondContact O-N 3.43Å; R93-M96 PolarHBondContact O-N 2.76Å; R93-Y97 HydrophobicContact CG-CD1 3.92Å; R93-Y97 HydrophobicContact CG-CD2 4.49Å; R93-Y97 HydrophobicContact CG-CE1 3.65Å; R93-Y97 HydrophobicContact CG-CE2 4.27Å; R93-Y97 HydrophobicContact CG-CG 4.33Å; R93-Y97 PolarHBondContact NH1-OH 2.97Å; R93-Y97 WeakPolarHBondContact O-CB 3.45Å; R93-Y97 WeakPolarHBondContact O-CD1 3.47Å; R93-Y97 PolarHBondContact O-N 2.61Å; R93-E252 IonicContact CZ-OE2 3.26Å; R93-E252 VanDerWaalsContact CZ-OE2 3.26Å; R93-E252 IonicContact NE-OE2 3.32Å; R93-E252 PolarHBondContact NE-OE2 3.26Å; R93-E252 IonicContact NH2-OE2 2.74Å; R93-E252 PolarHBondContact NH2-OE2 3.49Å; R93-Y253 PolarHBondContact NH2-OH 2.72Å; R93-Y253 VanDerWaalsContact NH2-OH 3.09Å
94	A	97.1	Very high	96.8	Very high	2 Å²	2	29.1 Å²	29.1	2%	0.017	15%	0.154	C	C	.	.	H	α-helix	trans	-56.9	-46.8	179.9	0	0	0	0	0	112	T80 L84 I89 S90 I91 Y97 I98	T80-A94 HydrophobicContact CG2-CB 3.88Å; L84-A94 HydrophobicContact CB-CB 4.23Å; L84-A94 HydrophobicContact CD1-CB 4.2Å; L84-A94 HydrophobicContact CD2-CB 3.87Å; L84-A94 HydrophobicContact CG-CB 4.33Å; I89-A94 HydrophobicContact CD1-CB 3.75Å; I89-A94 HydrophobicContact CG1-CB 4.4Å; S90-A94 WeakPolarHBondContact O-CB 3.31Å; S90-A94 PolarHBondContact O-N 3.24Å; I91-A94 PolarHBondContact O-N 3.11Å; A94-Y97 PolarHBondContact O-N 3.06Å; A94-I98 WeakPolarHBondContact O-CB 3.41Å; A94-I98 VanDerWaalsContact O-CG1 3.24Å; A94-I98 WeakPolarHBondContact O-CG1 3.48Å; A94-I98 PolarHBondContact O-N 3.35Å
95	L	97.4	Very high	96.9	Very high	94 Å²	94	27.9 Å²	27.9	49%	0.492	15%	0.147	S	C	.	.	H	α-helix	trans	-62.5	-47.8	177.9	-70	172.1	0	0	0	112.1	I91 F92 R93 Y97 I98 I99	I91-L95 HydrophobicContact CG2-CD1 3.99Å; I91-L95 HydrophobicContact CG2-CG 4.35Å; I91-L95 WeakPolarHBondContact O-CG 3.21Å; I91-L95 PolarHBondContact O-N 3.19Å; F92-L95 PolarHBondContact O-N 2.89Å; R93-L95 VanDerWaalsContact C-N 3.33Å; R93-L95 PolarHBondContact O-N 3.43Å; L95-Y97 VanDerWaalsContact C-N 3.32Å; L95-Y97 PolarHBondContact O-N 3.31Å; L95-I98 PolarHBondContact O-N 3.13Å; L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.14Å; L95-I99 PolarHBondContact O-N 2.98Å
96	M	97.5	Very high	97	Very high	45 Å²	45	26.8 Å²	26.8	22%	0.222	14%	0.142	C	C	.	.	H	α-helix	trans	-64.4	-37.6	180	-68	-58.9	102	0	0	112.1	F10 V14 F92 R93 I99 A100	F10-M96 HydrophobicContact CE1-CB 4.45Å; F10-M96 HydrophobicContact CE1-CG 4.15Å; F10-M96 HydrophobicContact CZ-CB 3.98Å; F10-M96 HydrophobicContact CZ-CG 3.8Å; V14-M96 HydrophobicContact CG1-CB 4.47Å; V14-M96 HydrophobicContact CG2-CB 3.86Å; F92-M96 HydrophobicContact CD2-CG 4.49Å; F92-M96 HydrophobicContact CE1-CG 4.12Å; F92-M96 HydrophobicContact CE2-CE 4.14Å; F92-M96 HydrophobicContact CE2-CG 4Å; F92-M96 HydrophobicContact CE2-SD 4.28Å; F92-M96 HydrophobicContact CZ-CG 3.77Å; F92-M96 HydrophobicContact CZ-SD 4.19Å; F92-M96 WeakPolarHBondContact O-CG 3.31Å; F92-M96 PolarHBondContact O-N 3.2Å; R93-M96 PolarHBondContact O-N 2.76Å; M96-I99 HydrophobicContact CE-CD1 3.84Å; M96-A100 VanDerWaalsContact O-CB 3.3Å; M96-A100 WeakPolarHBondContact O-CB 3.45Å; M96-A100 PolarHBondContact O-N 3.28Å
97	Y	98.4	Very high	97.1	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-48.3	175.3	-84.2	27.3	0	0	0	111.7	A13 V14 E17 S71 H74 R93 A94 L95 I99 A100 Q101	A13-Y97 HydrophobicContact CB-CE1 4.11Å; A13-Y97 VanDerWaalsContact CB-OH 3.27Å; A13-Y97 WeakPolarHBondContact CB-OH 3.47Å; V14-Y97 HydrophobicContact CG2-CD1 4.09Å; V14-Y97 HydrophobicContact CG2-CE1 4.1Å; E17-Y97 HydrophobicContact CG-CD1 4.03Å; E17-Y97 HydrophobicContact CG-CD2 3.65Å; E17-Y97 HydrophobicContact CG-CE1 4.1Å; E17-Y97 HydrophobicContact CG-CE2 3.73Å; E17-Y97 HydrophobicContact CG-CG 3.81Å; S71-Y97 WeakPolarHBondContact CA-OH 3.45Å; S71-Y97 VanDerWaalsContact O-CE2 3.3Å; S71-Y97 WeakPolarHBondContact O-CE2 3.34Å; S71-Y97 PolarHBondContact O-OH 3.06Å; H74-Y97 HydrophobicContact CB-CD2 4.47Å; H74-Y97 AromaticContact CE1-CD2 3.95Å; H74-Y97 AromaticContact CE1-CE2 3.93Å; H74-Y97 AromaticContact ND1-CD2 3.65Å; H74-Y97 AromaticContact ND1-CE2 4Å; R93-Y97 HydrophobicContact CG-CD1 3.92Å; R93-Y97 HydrophobicContact CG-CD2 4.49Å; R93-Y97 HydrophobicContact CG-CE1 3.65Å; R93-Y97 HydrophobicContact CG-CE2 4.27Å; R93-Y97 HydrophobicContact CG-CG 4.33Å; R93-Y97 PolarHBondContact NH1-OH 2.97Å; R93-Y97 WeakPolarHBondContact O-CB 3.45Å; R93-Y97 WeakPolarHBondContact O-CD1 3.47Å; R93-Y97 PolarHBondContact O-N 2.61Å; A94-Y97 PolarHBondContact O-N 3.06Å; L95-Y97 VanDerWaalsContact C-N 3.32Å; L95-Y97 PolarHBondContact O-N 3.31Å; Y97-I99 VanDerWaalsContact C-N 3.28Å; Y97-I99 PolarHBondContact O-N 3.43Å; Y97-A100 PolarHBondContact O-N 3.34Å; Y97-Q101 WeakPolarHBondContact O-CB 3.45Å; Y97-Q101 VanDerWaalsContact O-CD 3.25Å; Y97-Q101 WeakPolarHBondContact O-CG 3.4Å; Y97-Q101 PolarHBondContact O-N 2.83Å
98	I	98.8	Very high	97.3	Very high	35 Å²	35	28.8 Å²	28.8	18%	0.179	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-41.3	-179.8	-70	170.1	0	0	0	110.9	P77 T80 A94 L95 Q101 C102	P77-I98 HydrophobicContact CB-CD1 4.4Å; P77-I98 HydrophobicContact CB-CG1 3.93Å; P77-I98 HydrophobicContact CB-CG2 4.14Å; P77-I98 HydrophobicContact CG-CG1 4.41Å; P77-I98 HydrophobicContact CG-CG2 4.15Å; T80-I98 HydrophobicContact CG2-CD1 4.35Å; T80-I98 HydrophobicContact CG2-CG1 4.03Å; A94-I98 WeakPolarHBondContact O-CB 3.41Å; A94-I98 VanDerWaalsContact O-CG1 3.24Å; A94-I98 WeakPolarHBondContact O-CG1 3.48Å; A94-I98 PolarHBondContact O-N 3.35Å; L95-I98 PolarHBondContact O-N 3.13Å; I98-Q101 PolarHBondContact O-N 2.87Å; I98-C102 WeakPolarHBondContact O-CB 3.37Å; I98-C102 PolarHBondContact O-N 3.34Å; I98-C102 PolarHBondContact O-SG 3.33Å
99	I	98.8	Very high	97.7	Very high	94 Å²	94	27.7 Å²	27.7	48%	0.482	15%	0.148	S	C	.	.	H	α-helix	trans	-62.9	-50.8	175.2	-67.1	166.8	0	0	0	110.3	L95 M96 Y97 Q101 C102 V103	L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.14Å; L95-I99 PolarHBondContact O-N 2.98Å; M96-I99 HydrophobicContact CE-CD1 3.84Å; Y97-I99 VanDerWaalsContact C-N 3.28Å; Y97-I99 PolarHBondContact O-N 3.43Å; I99-Q101 VanDerWaalsContact C-N 3.29Å; I99-Q101 PolarHBondContact O-N 3.17Å; I99-C102 PolarHBondContact O-N 3.37Å; I99-V103 HydrophobicContact CG2-CG2 4.23Å; I99-V103 VanDerWaalsContact O-CG2 3.29Å; I99-V103 WeakPolarHBondContact O-CG2 3.42Å; I99-V103 PolarHBondContact O-N 2.73Å
100	A	98.8	Very high	97.9	Very high	9 Å²	9	29.6 Å²	29.6	7%	0.074	17%	0.165	C	C	.	.	H	α-helix	trans	-56.7	-42.8	178.9	0	0	0	0	0	112.3	V14 E17 F18 M96 Y97 G104	V14-A100 HydrophobicContact CG1-CB 3.93Å; E17-A100 HydrophobicContact CB-CB 4.32Å; F18-A100 HydrophobicContact CB-CB 4Å; M96-A100 VanDerWaalsContact O-CB 3.3Å; M96-A100 WeakPolarHBondContact O-CB 3.45Å; M96-A100 PolarHBondContact O-N 3.28Å; Y97-A100 PolarHBondContact O-N 3.34Å; A100-G104 PolarHBondContact O-N 3.49Å
101	Q	98.9	Very high	98.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-49	177.2	-69	157	5.9	0	0	111.3	E17 T21 N76 P77 T80 Y97 I98 I99 V103 G104 A105 A194	E17-Q101 PolarHBondContact OE2-NE2 3.24Å; T21-Q101 HydrophobicContact CG2-CB 4.3Å; T21-Q101 VanDerWaalsContact CG2-O 3.24Å; T21-Q101 WeakPolarHBondContact CG2-O 3.39Å; T21-Q101 WeakPolarHBondContact OG1-CG 3.5Å; N76-Q101 PolarHBondContact O-OE1 2.9Å; P77-Q101 VanDerWaalsContact CD-OE1 3.24Å; T80-Q101 PolarHBondContact OG1-NE2 3.38Å; Y97-Q101 WeakPolarHBondContact O-CB 3.45Å; Y97-Q101 VanDerWaalsContact O-CD 3.25Å; Y97-Q101 WeakPolarHBondContact O-CG 3.4Å; Y97-Q101 PolarHBondContact O-N 2.83Å; I98-Q101 PolarHBondContact O-N 2.87Å; I99-Q101 VanDerWaalsContact C-N 3.29Å; I99-Q101 PolarHBondContact O-N 3.17Å; Q101-V103 PolarHBondContact O-N 3.39Å; Q101-G104 PolarHBondContact O-N 2.96Å; Q101-A105 WeakPolarHBondContact O-CB 3.34Å; Q101-A105 PolarHBondContact O-N 3.44Å; Q101-A194 HydrophobicContact CB-CB 3.85Å
102	C	98.9	Very high	98.2	Very high	14 Å²	14	30.2 Å²	30.2	10%	0.095	17%	0.168	C	C	.	.	H	α-helix	trans	-62.7	-44	179.5	-67.5	0	0	0	0	111.7	I98 I99 A105 I106 F197	I98-C102 WeakPolarHBondContact O-CB 3.37Å; I98-C102 PolarHBondContact O-N 3.34Å; I98-C102 PolarHBondContact O-SG 3.33Å; I99-C102 PolarHBondContact O-N 3.37Å; C102-A105 PolarHBondContact O-N 2.94Å; C102-I106 VanDerWaalsContact O-CG1 3.29Å; C102-I106 WeakPolarHBondContact O-CG1 3.13Å; C102-I106 PolarHBondContact O-N 2.96Å; C102-F197 HydrophobicContact CB-CD1 3.96Å; C102-F197 HydrophobicContact CB-CE1 4.26Å
103	V	98.9	Very high	98.4	Very high	67 Å²	67	30.7 Å²	30.7	41%	0.406	18%	0.176	S	C	.	.	H	α-helix	trans	-65.3	-42.6	177.4	177.7	0	0	0	0	110.7	F18 I99 Q101 A105 I106 V107	F18-V103 HydrophobicContact CD2-CB 4.46Å; F18-V103 HydrophobicContact CD2-CG1 4.28Å; F18-V103 HydrophobicContact CE2-CG1 3.93Å; I99-V103 HydrophobicContact CG2-CG2 4.23Å; I99-V103 VanDerWaalsContact O-CG2 3.29Å; I99-V103 WeakPolarHBondContact O-CG2 3.42Å; I99-V103 PolarHBondContact O-N 2.73Å; Q101-V103 PolarHBondContact O-N 3.39Å; V103-A105 VanDerWaalsContact C-N 3.34Å; V103-A105 PolarHBondContact O-N 2.97Å; V103-I106 PolarHBondContact O-N 2.98Å; V103-V107 HydrophobicContact CG1-CG2 4.41Å; V103-V107 WeakPolarHBondContact O-CG2 3.43Å; V103-V107 PolarHBondContact O-N 3.3Å
104	G	98.9	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-42.1	176.1	0	0	0	0	0	112.6	T22 A100 Q101 V107 A108	T22-G104 WeakPolarHBondContact OG1-CA 3.43Å; T22-G104 PolarHBondContact OG1-O 2.98Å; A100-G104 PolarHBondContact O-N 3.49Å; Q101-G104 PolarHBondContact O-N 2.96Å; G104-V107 PolarHBondContact O-N 2.99Å; G104-A108 WeakPolarHBondContact O-CB 3.28Å; G104-A108 PolarHBondContact O-N 3.5Å
105	A	98.9	Very high	98.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-45.2	175.1	0	0	0	0	0	112.3	T21 V25 Q101 C102 V103 V107 A108 T109 A194	T21-A105 HydrophobicContact CG2-CB 4.19Å; V25-A105 HydrophobicContact CG2-CB 3.87Å; Q101-A105 WeakPolarHBondContact O-CB 3.34Å; Q101-A105 PolarHBondContact O-N 3.44Å; C102-A105 PolarHBondContact O-N 2.94Å; V103-A105 VanDerWaalsContact C-N 3.34Å; V103-A105 PolarHBondContact O-N 2.97Å; A105-V107 PolarHBondContact O-N 2.98Å; A105-A108 PolarHBondContact O-N 3.46Å; A105-T109 WeakPolarHBondContact O-CB 3.44Å; A105-T109 PolarHBondContact O-N 2.81Å; A105-T109 PolarHBondContact O-OG1 2.84Å; A105-A194 HydrophobicContact CB-CB 4.36Å; A105-A194 WeakPolarHBondContact CB-O 3.42Å
106	I	98.9	Very high	98.4	Very high	44 Å²	44	33.4 Å²	33.4	23%	0.226	20%	0.202	C	C	.	.	H	α-helix	trans	-58.2	-48.4	175.3	-69.6	164.5	0	0	0	110.7	C102 V103 A108 T109 A110 F197 V201 I202	C102-I106 VanDerWaalsContact O-CG1 3.29Å; C102-I106 WeakPolarHBondContact O-CG1 3.13Å; C102-I106 PolarHBondContact O-N 2.96Å; V103-I106 PolarHBondContact O-N 2.98Å; I106-A108 PolarHBondContact O-N 3.39Å; I106-T109 PolarHBondContact O-N 3.29Å; I106-A110 WeakPolarHBondContact O-CB 3.44Å; I106-A110 PolarHBondContact O-N 2.98Å; I106-F197 HydrophobicContact CD1-CD1 4.12Å; I106-F197 HydrophobicContact CD1-CE1 3.72Å; I106-F197 HydrophobicContact CG1-CD1 4.4Å; I106-F197 HydrophobicContact CG1-CE1 4.44Å; I106-V201 HydrophobicContact CD1-CB 4.48Å; I106-V201 HydrophobicContact CD1-CG1 4.22Å; I106-V201 HydrophobicContact CD1-CG2 4.23Å; I106-V201 HydrophobicContact CG1-CB 4.15Å; I106-V201 HydrophobicContact CG1-CG1 4.15Å; I106-V201 HydrophobicContact CG1-CG2 4.28Å; I106-V201 HydrophobicContact CG2-CG1 4.32Å; I106-I202 HydrophobicContact CG2-CD1 3.87Å
107	V	98.9	Very high	98.3	Very high	52 Å²	52	35.6 Å²	35.6	32%	0.315	22%	0.222	S	C	.	.	H	α-helix	trans	-59.9	-47.9	179.8	168.9	0	0	0	0	110.8	F18 T22 V103 G104 A105 T109 A110 I111	F18-V107 HydrophobicContact CE2-CG2 4.18Å; F18-V107 HydrophobicContact CZ-CG2 4.38Å; T22-V107 HydrophobicContact CG2-CG1 4.09Å; V103-V107 HydrophobicContact CG1-CG2 4.41Å; V103-V107 WeakPolarHBondContact O-CG2 3.43Å; V103-V107 PolarHBondContact O-N 3.3Å; G104-V107 PolarHBondContact O-N 2.99Å; A105-V107 PolarHBondContact O-N 2.98Å; V107-T109 PolarHBondContact O-N 3.41Å; V107-A110 PolarHBondContact O-N 3.24Å; V107-I111 HydrophobicContact CG1-CD1 3.81Å; V107-I111 HydrophobicContact CG1-CG1 4.49Å; V107-I111 VanDerWaalsContact O-CG1 3.27Å; V107-I111 WeakPolarHBondContact O-CG1 3.35Å; V107-I111 PolarHBondContact O-N 2.82Å
108	A	98.9	Very high	98	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-47.1	178.5	0	0	0	0	0	112.7	T22 V25 F26 G104 A105 I106 A110 I111 L112	T22-A108 HydrophobicContact CG2-CB 3.99Å; T22-A108 WeakPolarHBondContact O-CB 3.33Å; V25-A108 HydrophobicContact CB-CB 3.7Å; V25-A108 HydrophobicContact CG1-CB 3.72Å; F26-A108 HydrophobicContact CB-CB 4.13Å; G104-A108 WeakPolarHBondContact O-CB 3.28Å; G104-A108 PolarHBondContact O-N 3.5Å; A105-A108 PolarHBondContact O-N 3.46Å; I106-A108 PolarHBondContact O-N 3.39Å; A108-A110 VanDerWaalsContact C-N 3.33Å; A108-A110 PolarHBondContact O-N 2.85Å; A108-I111 PolarHBondContact O-N 3.37Å; A108-L112 PolarHBondContact O-N 2.93Å
109	T	98.8	Very high	97.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-39.4	177.6	-58.3	0	0	0	0	111.3	A105 I106 V107 L112 S113 L124 I202	A105-T109 WeakPolarHBondContact O-CB 3.44Å; A105-T109 PolarHBondContact O-N 2.81Å; A105-T109 PolarHBondContact O-OG1 2.84Å; I106-T109 PolarHBondContact O-N 3.29Å; V107-T109 PolarHBondContact O-N 3.41Å; T109-L112 PolarHBondContact O-N 3.17Å; T109-S113 PolarHBondContact O-N 3.13Å; T109-L124 HydrophobicContact CG2-CB 3.95Å; T109-L124 HydrophobicContact CG2-CD1 4.01Å; T109-I202 HydrophobicContact CG2-CB 3.66Å; T109-I202 HydrophobicContact CG2-CG1 3.64Å; T109-I202 HydrophobicContact CG2-CG2 4.12Å
110	A	98.7	Very high	97.2	Very high	46 Å²	46	39.6 Å²	39.6	38%	0.38	26%	0.255	S	S	.	.	H	α-helix	trans	-63	-44.2	176.6	0	0	0	0	0	111.8	I106 V107 A108 S113 G114 I202	I106-A110 WeakPolarHBondContact O-CB 3.44Å; I106-A110 PolarHBondContact O-N 2.98Å; V107-A110 PolarHBondContact O-N 3.24Å; A108-A110 VanDerWaalsContact C-N 3.33Å; A108-A110 PolarHBondContact O-N 2.85Å; A110-S113 VanDerWaalsContact O-CB 3.32Å; A110-S113 WeakPolarHBondContact O-CB 3.16Å; A110-S113 PolarHBondContact O-N 2.93Å; A110-G114 PolarHBondContact O-N 3.12Å; A110-I202 HydrophobicContact CB-CD1 3.78Å; A110-I202 HydrophobicContact CB-CG1 4.3Å
111	I	98.7	Very high	96.8	Very high	81 Å²	81	42.7 Å²	42.7	42%	0.415	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-46.2	175.5	-63.8	165.1	0	0	0	110	F26 V107 A108 S113 G114 I115	F26-I111 HydrophobicContact CD2-CG2 4.2Å; F26-I111 HydrophobicContact CE2-CG2 3.78Å; V107-I111 HydrophobicContact CG1-CD1 3.81Å; V107-I111 HydrophobicContact CG1-CG1 4.49Å; V107-I111 VanDerWaalsContact O-CG1 3.27Å; V107-I111 WeakPolarHBondContact O-CG1 3.35Å; V107-I111 PolarHBondContact O-N 2.82Å; A108-I111 PolarHBondContact O-N 3.37Å; I111-S113 VanDerWaalsContact C-N 3.26Å; I111-S113 PolarHBondContact O-N 3.24Å; I111-G114 PolarHBondContact O-N 3.07Å; I111-G114 VanDerWaalsContact O-N 3.09Å; I111-I115 HydrophobicContact CG2-CD1 3.99Å; I111-I115 HydrophobicContact CG2-CG1 4.43Å; I111-I115 PolarHBondContact O-N 3.37Å
112	L	98.2	Very high	96.6	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-59.8	-35.9	176.2	-82.7	172.4	0	0	0	112.6	F26 I29 A108 T109 G114 I115 T116	F26-L112 HydrophobicContact CD2-CD2 4Å; F26-L112 HydrophobicContact CD2-CG 3.77Å; F26-L112 HydrophobicContact CE2-CD2 3.88Å; F26-L112 HydrophobicContact CE2-CG 4.05Å; F26-L112 HydrophobicContact CG-CG 4.48Å; F26-L112 HydrophobicContact CZ-CD2 4.39Å; I29-L112 HydrophobicContact CB-CD1 3.69Å; I29-L112 HydrophobicContact CG2-CD1 3.74Å; A108-L112 PolarHBondContact O-N 2.93Å; T109-L112 PolarHBondContact O-N 3.17Å; L112-G114 VanDerWaalsContact C-N 3.26Å; L112-G114 PolarHBondContact O-N 3.19Å; L112-I115 PolarHBondContact O-N 3.34Å; L112-T116 WeakPolarHBondContact O-CB 3.41Å; L112-T116 PolarHBondContact O-N 3.46Å; L112-T116 PolarHBondContact O-OG1 3.13Å
113	S	97.9	Very high	96.4	Very high	49 Å²	49	45.7 Å²	45.7	34%	0.343	31%	0.307	S	S	.	.	H	α-helix	trans	-58.9	-38.2	175	-168.8	0	0	0	0	112.3	T109 A110 I111 S117	T109-S113 PolarHBondContact O-N 3.13Å; A110-S113 VanDerWaalsContact O-CB 3.32Å; A110-S113 WeakPolarHBondContact O-CB 3.16Å; A110-S113 PolarHBondContact O-N 2.93Å; I111-S113 VanDerWaalsContact C-N 3.26Å; I111-S113 PolarHBondContact O-N 3.24Å; S113-S117 WeakPolarHBondContact O-CA 3.4Å; S113-S117 WeakPolarHBondContact O-CB 3.3Å; S113-S117 PolarHBondContact O-N 3.42Å
114	G	97.8	Very high	96.4	Very high	49 Å²	49	42.7 Å²	42.7	51%	0.505	29%	0.289	S	S	.	.	H	α-helix	trans	-70.2	-48.9	174.5	0	0	0	0	0	112.3	A110 I111 L112 T116 S117	A110-G114 PolarHBondContact O-N 3.12Å; I111-G114 PolarHBondContact O-N 3.07Å; I111-G114 VanDerWaalsContact O-N 3.09Å; L112-G114 VanDerWaalsContact C-N 3.26Å; L112-G114 PolarHBondContact O-N 3.19Å; G114-T116 VanDerWaalsContact C-N 3.34Å; G114-T116 PolarHBondContact O-N 2.86Å; G114-S117 VanDerWaalsContact O-CB 3.29Å; G114-S117 WeakPolarHBondContact O-CB 3.2Å; G114-S117 PolarHBondContact O-N 2.68Å; G114-S117 PolarHBondContact O-OG 2.81Å
115	I	97.3	Very high	96.3	Very high	102 Å²	102	43.3 Å²	43.3	52%	0.523	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-39.6	-177.5	-65.5	-178.1	0	0	0	111.9	F26 I111 L112	F26-I115 HydrophobicContact CE2-CD1 3.52Å; F26-I115 HydrophobicContact CZ-CD1 3.57Å; I111-I115 HydrophobicContact CG2-CD1 3.99Å; I111-I115 HydrophobicContact CG2-CG1 4.43Å; I111-I115 PolarHBondContact O-N 3.37Å; L112-I115 PolarHBondContact O-N 3.34Å
116	T	95.9	Very high	96.3	Very high	9 Å²	9	45.1 Å²	45.1	6%	0.055	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	23.8	-177.3	63.2	0	0	0	0	112.7	L33 Y37 L112 G114 S118 L119 N122	L33-T116 HydrophobicContact CD1-CG2 4.34Å; Y37-T116 HydrophobicContact CE2-CG2 4.26Å; Y37-T116 WeakPolarHBondContact OH-CA 3.41Å; L112-T116 WeakPolarHBondContact O-CB 3.41Å; L112-T116 PolarHBondContact O-N 3.46Å; L112-T116 PolarHBondContact O-OG1 3.13Å; G114-T116 VanDerWaalsContact C-N 3.34Å; G114-T116 PolarHBondContact O-N 2.86Å; T116-S118 PolarHBondContact O-N 3.42Å; T116-S118 VanDerWaalsContact O-N 3.14Å; T116-L119 WeakPolarHBondContact O-CB 3.18Å; T116-L119 PolarHBondContact O-N 3.41Å; T116-N122 WeakPolarHBondContact CB-ND2 3.47Å; T116-N122 PolarHBondContact O-ND2 3.48Å; T116-N122 PolarHBondContact OG1-ND2 2.94Å
117	S	95.3	Very high	96.2	Very high	92 Å²	92	43.1 Å²	43.1	64%	0.643	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.1	-178.1	52.6	0	0	0	0	114.1	S113 G114 L119	S113-S117 WeakPolarHBondContact O-CA 3.4Å; S113-S117 WeakPolarHBondContact O-CB 3.3Å; S113-S117 PolarHBondContact O-N 3.42Å; G114-S117 VanDerWaalsContact O-CB 3.29Å; G114-S117 WeakPolarHBondContact O-CB 3.2Å; G114-S117 PolarHBondContact O-N 2.68Å; G114-S117 PolarHBondContact O-OG 2.81Å; S117-L119 PolarHBondContact O-N 2.72Å
118	S	92.6	Very high	96.2	Very high	69 Å²	69	43 Å²	43	48%	0.483	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-11.7	175	58.9	0	0	0	0	114.3	Y37 T116 T120	Y37-S118 PolarHBondContact OH-OG 3.02Å; T116-S118 PolarHBondContact O-N 3.42Å; T116-S118 VanDerWaalsContact O-N 3.14Å; S118-T120 PolarHBondContact O-N 2.87Å
119	L	92.1	Very high	96.2	Very high	14 Å²	14	44.5 Å²	44.5	7%	0.073	30%	0.297	C	S	.	.	S	Bend	trans	-78.3	118.8	174.2	-90.3	69.1	0	0	0	111	K36 Y37 V39 T116 S117 N122	K36-L119 HydrophobicContact CB-CD2 3.79Å; K36-L119 HydrophobicContact CB-CG 4.29Å; K36-L119 HydrophobicContact CD-CD2 3.46Å; K36-L119 VanDerWaalsContact CD-CD2 3.46Å; K36-L119 HydrophobicContact CD-CG 4.41Å; K36-L119 HydrophobicContact CG-CD2 4.23Å; Y37-L119 HydrophobicContact CD2-CD1 3.95Å; Y37-L119 HydrophobicContact CE1-CD1 3.84Å; Y37-L119 HydrophobicContact CE2-CD1 3.13Å; Y37-L119 HydrophobicContact CE2-CG 4.42Å; Y37-L119 WeakPolarHBondContact OH-CD1 3.46Å; V39-L119 HydrophobicContact CG2-CD1 3.9Å; V39-L119 HydrophobicContact CG2-CG 4.46Å; T116-L119 WeakPolarHBondContact O-CB 3.18Å; T116-L119 PolarHBondContact O-N 3.41Å; S117-L119 PolarHBondContact O-N 2.72Å; L119-N122 HydrophobicContact CB-CB 3.79Å
120	T	88.5	Confident	96.2	Very high	130 Å²	130	46.3 Å²	46.3	80%	0.798	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	135.9	166.7	53.2	0	0	0	0	110.7	S118 N122	S118-T120 PolarHBondContact O-N 2.87Å; T120-N122 VanDerWaalsContact C-N 3.3Å; T120-N122 PolarHBondContact O-N 2.96Å
121	G	89.5	Confident	96.1	Very high	75 Å²	75	52.2 Å²	52.2	77%	0.773	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	34.8	179.1	0	0	0	0	0	113.4	S123	G121-S123 PolarHBondContact O-N 3.41Å; G121-S123 VanDerWaalsContact O-N 3.07Å
122	N	94.2	Very high	96	Very high	31 Å²	31	52.1 Å²	52.1	17%	0.166	36%	0.356	C	S	.	.			trans	-66.8	106.7	-176.3	-166.8	-12.3	0	0	0	111.6	T116 L119 T120 L124	T116-N122 WeakPolarHBondContact CB-ND2 3.47Å; T116-N122 PolarHBondContact O-ND2 3.48Å; T116-N122 PolarHBondContact OG1-ND2 2.94Å; L119-N122 HydrophobicContact CB-CB 3.79Å; T120-N122 VanDerWaalsContact C-N 3.3Å; T120-N122 PolarHBondContact O-N 2.96Å; N122-L124 WeakPolarHBondContact ND2-CD2 3.4Å; N122-L124 PolarHBondContact O-N 3.3Å; N122-L124 WeakPolarHBondContact OD1-CD2 3.24Å; N122-L124 PolarHBondContact OD1-N 3.32Å
123	S	96	Very high	96.1	Very high	45 Å²	45	53.1 Å²	53.1	32%	0.315	36%	0.362	S	S	.	.			trans	-73.6	-5.8	176.2	63.9	0	0	0	0	113.8	G121 G125 R126	G121-S123 PolarHBondContact O-N 3.41Å; G121-S123 VanDerWaalsContact O-N 3.07Å; S123-G125 PolarHBondContact O-N 2.82Å; S123-G125 VanDerWaalsContact O-N 3.13Å; S123-R126 WeakPolarHBondContact O-CB 3.3Å; S123-R126 PolarHBondContact O-N 3.16Å
124	L	97.7	Very high	96.1	Very high	5 Å²	5	55 Å²	55	3%	0.026	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.9	-177.8	-60.1	172	0	0	0	112.9	I29 L33 T109 N122 R126 S199 I202 T203	I29-L124 WeakPolarHBondContact CG2-O 3.34Å; L33-L124 HydrophobicContact CD1-CD2 4.34Å; T109-L124 HydrophobicContact CG2-CB 3.95Å; T109-L124 HydrophobicContact CG2-CD1 4.01Å; N122-L124 WeakPolarHBondContact ND2-CD2 3.4Å; N122-L124 PolarHBondContact O-N 3.3Å; N122-L124 WeakPolarHBondContact OD1-CD2 3.24Å; N122-L124 PolarHBondContact OD1-N 3.32Å; L124-R126 PolarHBondContact O-N 3.46Å; L124-S199 WeakPolarHBondContact O-CB 3.46Å; L124-S199 PolarHBondContact O-OG 3.16Å; L124-I202 HydrophobicContact CD1-CB 4.32Å; L124-I202 HydrophobicContact CD1-CG2 3.59Å; L124-T203 HydrophobicContact CB-CG2 4.02Å; L124-T203 HydrophobicContact CD1-CG2 3.89Å; L124-T203 HydrophobicContact CG-CG2 4.17Å
125	G	97.1	Very high	96.1	Very high	13 Å²	13	54.8 Å²	54.8	13%	0.134	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	24.5	-179.9	0	0	0	0	0	114.4	S123 R195	S123-G125 PolarHBondContact O-N 2.82Å; S123-G125 VanDerWaalsContact O-N 3.13Å; G125-R195 VanDerWaalsContact O-CZ 3.29Å; G125-R195 PolarHBondContact O-NH1 3.32Å; G125-R195 PolarHBondContact O-NH2 2.68Å
126	R	98.3	Very high	96.1	Very high	37 Å²	37	52.3 Å²	52.3	14%	0.14	36%	0.359	C	S	.	.			trans	-55.6	138.7	175.9	-175.5	175.8	70.1	85.1	4.3	111.2	S123 L124 D128 S199 T203 N205	S123-R126 WeakPolarHBondContact O-CB 3.3Å; S123-R126 PolarHBondContact O-N 3.16Å; L124-R126 PolarHBondContact O-N 3.46Å; R126-D128 IonicContact CZ-OD1 2.99Å; R126-D128 IonicContact CZ-OD2 2.92Å; R126-D128 IonicContact NE-OD2 3.5Å; R126-D128 VanDerWaalsContact NH1-CG 3.3Å; R126-D128 IonicContact NH1-OD1 2.62Å; R126-D128 PolarHBondContact NH1-OD1 3.33Å; R126-D128 IonicContact NH1-OD2 3.37Å; R126-D128 PolarHBondContact NH1-OD2 3.42Å; R126-D128 IonicContact NH2-OD1 2.79Å; R126-D128 PolarHBondContact NH2-OD1 2.95Å; R126-D128 IonicContact NH2-OD2 2.59Å; R126-D128 PolarHBondContact NH2-OD2 3.16Å; R126-S199 VanDerWaalsContact CA-CB 3.5Å; R126-T203 WeakPolarHBondContact CD-OG1 3.28Å; R126-N205 WeakPolarHBondContact CD-O 3.43Å; R126-N205 VanDerWaalsContact CZ-ND2 3.3Å; R126-N205 PolarHBondContact NH1-OD1 3.38Å; R126-N205 VanDerWaalsContact NH1-OD1 3.16Å; R126-N205 PolarHBondContact NH2-ND2 3.23Å; R126-N205 VanDerWaalsContact NH2-ND2 3.15Å
127	N	98.7	Very high	96.3	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.011	38%	0.379	C	S	.	.			trans	-74.6	135.5	172.8	-68.1	104.4	0	0	0	110.6	T187 G188 C189 G190 R195 S196 F212	N127-T187 WeakPolarHBondContact CB-O 3.34Å; N127-T187 PolarHBondContact ND2-O 3.5Å; N127-G188 PolarHBondContact ND2-O 3.42Å; N127-G188 VanDerWaalsContact ND2-O 3.14Å; N127-C189 PolarHBondContact ND2-O 2.86Å; N127-G190 PolarHBondContact ND2-N 3.25Å; N127-R195 VanDerWaalsContact OD1-CZ 3.24Å; N127-R195 PolarHBondContact OD1-NE 3.38Å; N127-R195 PolarHBondContact OD1-NH1 3.46Å; N127-S196 WeakPolarHBondContact OD1-CB 3.33Å; N127-S196 PolarHBondContact OD1-OG 2.74Å; N127-F212 HydrophobicContact CB-CD1 3.93Å; N127-F212 HydrophobicContact CB-CD2 3.84Å; N127-F212 HydrophobicContact CB-CE1 3.64Å; N127-F212 HydrophobicContact CB-CE2 3.52Å; N127-F212 HydrophobicContact CB-CG 4.05Å; N127-F212 HydrophobicContact CB-CZ 3.43Å; N127-F212 VanDerWaalsContact CB-CZ 3.43Å; N127-F212 VanDerWaalsContact O-CE2 3.3Å; N127-F212 WeakPolarHBondContact O-CE2 3.22Å
128	D	98.1	Very high	96.4	Very high	50 Å²	50	52.3 Å²	52.3	27%	0.267	35%	0.348	S	S	.	.			trans	-147.5	151.8	-177.4	-83.5	-60.5	0	0	0	109.4	R126 A130 T187	R126-D128 IonicContact CZ-OD1 2.99Å; R126-D128 IonicContact CZ-OD2 2.92Å; R126-D128 IonicContact NE-OD2 3.5Å; R126-D128 VanDerWaalsContact NH1-CG 3.3Å; R126-D128 IonicContact NH1-OD1 2.62Å; R126-D128 PolarHBondContact NH1-OD1 3.33Å; R126-D128 IonicContact NH1-OD2 3.37Å; R126-D128 PolarHBondContact NH1-OD2 3.42Å; R126-D128 IonicContact NH2-OD1 2.79Å; R126-D128 PolarHBondContact NH2-OD1 2.95Å; R126-D128 IonicContact NH2-OD2 2.59Å; R126-D128 PolarHBondContact NH2-OD2 3.16Å; D128-A130 PolarHBondContact O-N 3.09Å; D128-T187 PolarHBondContact N-O 2.94Å; D128-T187 CarbonylContact O-C 3.48Å; D128-T187 WeakPolarHBondContact O-CA 3.48Å
129	L	98.5	Very high	96.7	Very high	32 Å²	32	50.6 Å²	50.6	17%	0.168	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-69.2	126.9	166	-61.9	177.7	0	0	0	108.8	V133 T187 N208 I211	L129-V133 HydrophobicContact CD2-CG1 4.24Å; L129-T187 HydrophobicContact CD2-CG2 4.24Å; L129-N208 HydrophobicContact CD1-CB 4.14Å; L129-N208 HydrophobicContact CG-CB 4.32Å; L129-I211 HydrophobicContact CD1-CD1 4.02Å; L129-I211 HydrophobicContact CD2-CD1 3.96Å; L129-I211 HydrophobicContact CG-CD1 4.29Å
130	A	98.1	Very high	97	Very high	37 Å²	37	51.4 Å²	51.4	31%	0.306	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-68.2	159.6	172.6	0	0	0	0	0	111.2	D128 G132 V133 D185 Y186	D128-A130 PolarHBondContact O-N 3.09Å; A130-G132 PolarHBondContact O-N 3.44Å; A130-V133 HydrophobicContact CB-CG2 4.17Å; A130-V133 WeakPolarHBondContact O-CB 3.42Å; A130-V133 PolarHBondContact O-N 3.47Å; A130-D185 WeakPolarHBondContact CB-O 3.37Å; A130-Y186 PolarHBondContact N-O 3.34Å
131	D	97.4	Very high	97.5	Very high	171 Å²	171	46.8 Å²	46.8	91%	0.914	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	129.9	178.1	-69.2	-26.1	0	0	0	111	V133	D131-V133 VanDerWaalsContact C-N 3.32Å
132	G	97.8	Very high	98	Very high	79 Å²	79	43.2 Å²	43.2	81%	0.814	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-7.5	-176.9	0	0	0	0	0	115.3	A130	A130-G132 PolarHBondContact O-N 3.44Å
133	V	98.4	Very high	98.2	Very high	24 Å²	24	43 Å²	43	15%	0.145	28%	0.277	C	S	.	.			trans	-93.6	114.5	175.6	-175.2	0	0	0	0	110	L129 A130 D131 Q137 Y186	L129-V133 HydrophobicContact CD2-CG1 4.24Å; A130-V133 HydrophobicContact CB-CG2 4.17Å; A130-V133 WeakPolarHBondContact O-CB 3.42Å; A130-V133 PolarHBondContact O-N 3.47Å; D131-V133 VanDerWaalsContact C-N 3.32Å; V133-Q137 HydrophobicContact CG1-CB 3.81Å; V133-Y186 HydrophobicContact CG2-CD1 3.99Å
134	N	98.1	Very high	98.3	Very high	90 Å²	90	45.4 Å²	45.4	48%	0.481	29%	0.285	S	S	.	.			trans	-78.7	163.4	173.6	71.8	57.6	0	0	0	112	G136 Q137 G138	N134-G136 VanDerWaalsContact C-N 3.25Å; N134-G136 PolarHBondContact O-N 3.11Å; N134-G136 WeakPolarHBondContact OD1-CA 3.33Å; N134-G136 PolarHBondContact OD1-N 3.14Å; N134-Q137 VanDerWaalsContact ND2-CD 3.31Å; N134-Q137 PolarHBondContact ND2-OE1 3.11Å; N134-Q137 WeakPolarHBondContact O-CB 3.47Å; N134-Q137 PolarHBondContact O-N 2.92Å; N134-Q137 VanDerWaalsContact O-N 3.09Å; N134-Q137 PolarHBondContact OD1-N 3.38Å; N134-G138 PolarHBondContact O-N 3.3Å
135	S	98.4	Very high	98.4	Very high	44 Å²	44	45.2 Å²	45.2	31%	0.308	28%	0.284	S	S	.	.	H	α-helix	trans	-57.6	-34.3	-176.5	-51.7	0	0	0	0	113.8	L139 N208	S135-L139 VanDerWaalsContact O-CB 3.26Å; S135-L139 WeakPolarHBondContact O-CB 3.39Å; S135-L139 PolarHBondContact O-N 2.9Å; S135-N208 PolarHBondContact OG-OD1 2.97Å
136	G	98.4	Very high	98.5	Very high	50 Å²	50	44.6 Å²	44.6	52%	0.515	28%	0.278	S	S	.	.	H	α-helix	trans	-69.2	-41	176.8	0	0	0	0	0	112.7	N134 L139 G140	N134-G136 VanDerWaalsContact C-N 3.25Å; N134-G136 PolarHBondContact O-N 3.11Å; N134-G136 WeakPolarHBondContact OD1-CA 3.33Å; N134-G136 PolarHBondContact OD1-N 3.14Å; G136-L139 PolarHBondContact O-N 2.92Å; G136-G140 PolarHBondContact O-N 3.3Å
137	Q	98.5	Very high	98.5	Very high	101 Å²	101	44.2 Å²	44.2	47%	0.472	28%	0.279	S	S	.	.	H	α-helix	trans	-63.9	-48.6	174.7	-71	170.3	-44.9	0	0	111.2	V133 N134 L139 G140 I141	V133-Q137 HydrophobicContact CG1-CB 3.81Å; N134-Q137 VanDerWaalsContact ND2-CD 3.31Å; N134-Q137 PolarHBondContact ND2-OE1 3.11Å; N134-Q137 WeakPolarHBondContact O-CB 3.47Å; N134-Q137 PolarHBondContact O-N 2.92Å; N134-Q137 VanDerWaalsContact O-N 3.09Å; N134-Q137 PolarHBondContact OD1-N 3.38Å; Q137-L139 VanDerWaalsContact C-N 3.29Å; Q137-L139 PolarHBondContact O-N 3.35Å; Q137-G140 PolarHBondContact O-N 2.81Å; Q137-G140 VanDerWaalsContact O-N 3.16Å; Q137-I141 WeakPolarHBondContact O-CG1 3.41Å; Q137-I141 PolarHBondContact O-N 3.38Å
138	G	98.6	Very high	98.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.7	-42.2	176.6	0	0	0	0	0	112.1	N134 I141 E142	N134-G138 PolarHBondContact O-N 3.3Å; G138-I141 PolarHBondContact O-N 3.17Å; G138-E142 WeakPolarHBondContact O-CG 3.49Å; G138-E142 PolarHBondContact O-N 2.66Å
139	L	98.8	Very high	98.5	Very high	32 Å²	32	44.1 Å²	44.1	17%	0.168	28%	0.277	C	S	.	.	H	α-helix	trans	-60.4	-45.5	174.5	-175.9	70.1	0	0	0	112.4	S135 G136 Q137 I141 E142 I143 W210 I211 V214 G215	S135-L139 VanDerWaalsContact O-CB 3.26Å; S135-L139 WeakPolarHBondContact O-CB 3.39Å; S135-L139 PolarHBondContact O-N 2.9Å; G136-L139 PolarHBondContact O-N 2.92Å; Q137-L139 VanDerWaalsContact C-N 3.29Å; Q137-L139 PolarHBondContact O-N 3.35Å; L139-I141 VanDerWaalsContact C-N 3.33Å; L139-I141 PolarHBondContact O-N 2.88Å; L139-E142 PolarHBondContact O-N 3.46Å; L139-I143 HydrophobicContact CG-CD1 4Å; L139-I143 VanDerWaalsContact O-CG1 3.26Å; L139-I143 WeakPolarHBondContact O-CG1 3.38Å; L139-I143 PolarHBondContact O-N 2.77Å; L139-W210 HydrophobicContact CD1-CZ3 4.09Å; L139-W210 HydrophobicContact CD2-CH2 4.21Å; L139-W210 HydrophobicContact CD2-CZ3 4.18Å; L139-I211 HydrophobicContact CB-CG2 4.21Å; L139-I211 HydrophobicContact CD1-CG2 4.19Å; L139-V214 HydrophobicContact CD1-CB 4.23Å; L139-V214 HydrophobicContact CD1-CG1 4.08Å; L139-G215 VanDerWaalsContact CD1-CA 3.46Å
140	G	98.8	Very high	98.5	Very high	32 Å²	32	42.7 Å²	42.7	33%	0.33	27%	0.269	S	S	.	.	H	α-helix	trans	-59.7	-41.7	177.8	0	0	0	0	0	113	G136 Q137 I143 I144	G136-G140 PolarHBondContact O-N 3.3Å; Q137-G140 PolarHBondContact O-N 2.81Å; Q137-G140 VanDerWaalsContact O-N 3.16Å; G140-I143 PolarHBondContact O-N 3.39Å; G140-I144 WeakPolarHBondContact O-CG1 3.35Å; G140-I144 PolarHBondContact O-N 2.94Å; G140-I144 VanDerWaalsContact O-N 3.09Å
141	I	98.8	Very high	98.6	Very high	32 Å²	32	43.2 Å²	43.2	16%	0.164	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-47.3	176.3	-67.6	-66.5	0	0	0	111.1	Q137 G138 L139 I143 I144 G145 A183 Y186 T187	Q137-I141 WeakPolarHBondContact O-CG1 3.41Å; Q137-I141 PolarHBondContact O-N 3.38Å; G138-I141 PolarHBondContact O-N 3.17Å; L139-I141 VanDerWaalsContact C-N 3.33Å; L139-I141 PolarHBondContact O-N 2.88Å; I141-I143 VanDerWaalsContact C-N 3.31Å; I141-I143 PolarHBondContact O-N 2.55Å; I141-I144 PolarHBondContact O-N 3.17Å; I141-G145 PolarHBondContact O-N 3.49Å; I141-A183 HydrophobicContact CG2-CB 3.39Å; I141-Y186 HydrophobicContact CD1-CD2 4.13Å; I141-Y186 HydrophobicContact CD1-CE2 4.34Å; I141-Y186 HydrophobicContact CD1-CG 4.3Å; I141-Y186 HydrophobicContact CG1-CD2 4.32Å; I141-Y186 HydrophobicContact CG1-CG 4.07Å; I141-Y186 HydrophobicContact CG2-CD2 4.46Å; I141-T187 HydrophobicContact CG2-CG2 4.45Å
142	E	98.8	Very high	98.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-36.6	178.3	-71.3	-62.5	149.5	0	0	112.7	G138 L139 T146 T187 G190 I191 I211 F212	G138-E142 WeakPolarHBondContact O-CG 3.49Å; G138-E142 PolarHBondContact O-N 2.66Å; L139-E142 PolarHBondContact O-N 3.46Å; E142-T146 VanDerWaalsContact O-CB 3.32Å; E142-T146 WeakPolarHBondContact O-CB 3.3Å; E142-T146 PolarHBondContact O-N 2.93Å; E142-T146 VanDerWaalsContact O-N 3.11Å; E142-T146 PolarHBondContact O-OG1 3.31Å; E142-T187 HydrophobicContact CG-CG2 4.29Å; E142-T187 WeakPolarHBondContact OE1-CB 3.39Å; E142-T187 PolarHBondContact OE1-OG1 3.44Å; E142-G190 WeakPolarHBondContact OE1-CA 3.33Å; E142-G190 PolarHBondContact OE1-N 3.04Å; E142-G190 WeakPolarHBondContact OE2-CA 3.27Å; E142-G190 PolarHBondContact OE2-N 3.41Å; E142-I191 PolarHBondContact OE2-N 3.3Å; E142-I211 HydrophobicContact CG-CG2 4.04Å; E142-F212 HydrophobicContact CG-CD1 4.12Å; E142-F212 HydrophobicContact CG-CE1 4.36Å
143	I	98.9	Very high	98.7	Very high	28 Å²	28	33.1 Å²	33.1	14%	0.144	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-53.4	174.2	-70.7	167.8	0	0	0	110.4	L139 G140 I141 T146 L147 G215 I218 G219 L222	L139-I143 HydrophobicContact CG-CD1 4Å; L139-I143 VanDerWaalsContact O-CG1 3.26Å; L139-I143 WeakPolarHBondContact O-CG1 3.38Å; L139-I143 PolarHBondContact O-N 2.77Å; G140-I143 PolarHBondContact O-N 3.39Å; I141-I143 VanDerWaalsContact C-N 3.31Å; I141-I143 PolarHBondContact O-N 2.55Å; I143-T146 PolarHBondContact O-N 3.39Å; I143-L147 WeakPolarHBondContact O-CB 3.47Å; I143-L147 PolarHBondContact O-N 3.4Å; I143-G215 WeakPolarHBondContact CG1-O 3.29Å; I143-I218 HydrophobicContact CD1-CB 4.27Å; I143-I218 HydrophobicContact CD1-CD1 4.36Å; I143-I218 HydrophobicContact CD1-CG2 3.86Å; I143-I218 HydrophobicContact CG1-CB 4.07Å; I143-I218 HydrophobicContact CG1-CG2 3.97Å; I143-I218 HydrophobicContact CG2-CG2 4.17Å; I143-G219 WeakPolarHBondContact O-CA 3.15Å; I143-L222 HydrophobicContact CG2-CD1 3.98Å
144	I	98.8	Very high	98.6	Very high	94 Å²	94	32 Å²	32	48%	0.482	19%	0.19	S	C	.	.	H	α-helix	trans	-68	-43.4	-176	-65.8	-62	0	0	0	111.6	G140 I141 T146 L147 Q148 L182	G140-I144 WeakPolarHBondContact O-CG1 3.35Å; G140-I144 PolarHBondContact O-N 2.94Å; G140-I144 VanDerWaalsContact O-N 3.09Å; I141-I144 PolarHBondContact O-N 3.17Å; I144-T146 VanDerWaalsContact C-N 3.25Å; I144-T146 PolarHBondContact O-N 3.41Å; I144-L147 HydrophobicContact CD1-CD2 4.22Å; I144-L147 PolarHBondContact O-N 2.94Å; I144-Q148 PolarHBondContact O-N 3.39Å; I144-Q148 VanDerWaalsContact O-N 3.16Å; I144-L182 HydrophobicContact CG2-CD2 4.42Å
145	G	98.7	Very high	98.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-59.9	-37.3	178.1	0	0	0	0	0	112.4	I141 Q148	I141-G145 PolarHBondContact O-N 3.49Å; G145-Q148 WeakPolarHBondContact O-CG 3.34Å; G145-Q148 PolarHBondContact O-NE2 2.89Å
146	T	98.9	Very high	98.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-82.3	-36	177.8	-47.3	0	0	0	0	112.7	A78 E142 I143 I144 Q148 L149 V150 I191 P216	A78-T146 HydrophobicContact CB-CG2 3.64Å; E142-T146 VanDerWaalsContact O-CB 3.32Å; E142-T146 WeakPolarHBondContact O-CB 3.3Å; E142-T146 PolarHBondContact O-N 2.93Å; E142-T146 VanDerWaalsContact O-N 3.11Å; E142-T146 PolarHBondContact O-OG1 3.31Å; I143-T146 PolarHBondContact O-N 3.39Å; I144-T146 VanDerWaalsContact C-N 3.25Å; I144-T146 PolarHBondContact O-N 3.41Å; T146-Q148 PolarHBondContact O-N 3.43Å; T146-L149 WeakPolarHBondContact O-CB 3.24Å; T146-L149 PolarHBondContact O-N 3.05Å; T146-L149 VanDerWaalsContact O-N 3.16Å; T146-V150 HydrophobicContact CG2-CG2 3.97Å; T146-V150 WeakPolarHBondContact O-CG2 3.24Å; T146-V150 PolarHBondContact O-N 3.48Å; T146-I191 WeakPolarHBondContact OG1-CA 3.45Å; T146-P216 HydrophobicContact CG2-CB 3.85Å; T146-P216 VanDerWaalsContact CG2-O 3.28Å; T146-P216 WeakPolarHBondContact CG2-O 3.4Å; T146-P216 VanDerWaalsContact OG1-CA 3.31Å; T146-P216 WeakPolarHBondContact OG1-CA 3.18Å; T146-P216 WeakPolarHBondContact OG1-CB 3.25Å
147	L	98.8	Very high	98.3	Very high	29 Å²	29	28 Å²	28	15%	0.152	16%	0.158	C	C	.	.	H	α-helix	trans	-53.9	-53.1	176.2	168.9	59.4	0	0	0	111.1	I143 I144 L149 V150 L151 G219 L222 A223 I226	I143-L147 WeakPolarHBondContact O-CB 3.47Å; I143-L147 PolarHBondContact O-N 3.4Å; I144-L147 HydrophobicContact CD1-CD2 4.22Å; I144-L147 PolarHBondContact O-N 2.94Å; L147-L149 VanDerWaalsContact C-N 3.25Å; L147-L149 PolarHBondContact O-N 3.26Å; L147-V150 PolarHBondContact O-N 2.96Å; L147-L151 WeakPolarHBondContact O-CB 3.42Å; L147-L151 PolarHBondContact O-N 2.98Å; L147-G219 WeakPolarHBondContact CA-O 3.35Å; L147-L222 HydrophobicContact CD1-CB 3.91Å; L147-A223 VanDerWaalsContact CD1-CA 3.42Å; L147-A223 HydrophobicContact CD1-CB 3.74Å; L147-A223 VanDerWaalsContact CD1-N 3.26Å; L147-I226 HydrophobicContact CD1-CD1 4.16Å
148	Q	98.8	Very high	98.1	Very high	47 Å²	47	23.8 Å²	23.8	22%	0.22	14%	0.139	C	C	.	.	H	α-helix	trans	-63.5	-34.4	-179.7	69	76.8	35.6	0	0	112.1	I144 G145 T146 C152 S175	I144-Q148 PolarHBondContact O-N 3.39Å; I144-Q148 VanDerWaalsContact O-N 3.16Å; G145-Q148 WeakPolarHBondContact O-CG 3.34Å; G145-Q148 PolarHBondContact O-NE2 2.89Å; T146-Q148 PolarHBondContact O-N 3.43Å; Q148-C152 WeakPolarHBondContact O-CB 3.48Å; Q148-C152 PolarHBondContact O-N 2.97Å; Q148-S175 PolarHBondContact NE2-O 3.47Å; Q148-S175 PolarHBondContact NE2-OG 3.19Å; Q148-S175 PolarHBondContact OE1-O 3.42Å; Q148-S175 PolarHBondContact OE1-OG 3.48Å
149	L	98.8	Very high	97.6	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-66.2	-54.5	178.4	172.4	60.1	0	0	0	111.4	V79 T146 L147 L151 C152 V153 I172 S175 V176 I191	V79-L149 HydrophobicContact CG2-CD2 4.36Å; V79-L149 HydrophobicContact CG2-CG 4.44Å; T146-L149 WeakPolarHBondContact O-CB 3.24Å; T146-L149 PolarHBondContact O-N 3.05Å; T146-L149 VanDerWaalsContact O-N 3.16Å; L147-L149 VanDerWaalsContact C-N 3.25Å; L147-L149 PolarHBondContact O-N 3.26Å; L149-L151 VanDerWaalsContact C-N 3.27Å; L149-L151 PolarHBondContact O-N 2.86Å; L149-C152 WeakPolarHBondContact O-CB 3.37Å; L149-C152 PolarHBondContact O-N 2.96Å; L149-V153 HydrophobicContact CD1-CG2 4.36Å; L149-V153 WeakPolarHBondContact O-CG2 3.16Å; L149-V153 PolarHBondContact O-N 2.93Å; L149-I172 HydrophobicContact CD1-CG2 4.41Å; L149-S175 WeakPolarHBondContact CA-OG 3.34Å; L149-V176 HydrophobicContact CD1-CG2 3.48Å; L149-V176 VanDerWaalsContact CD1-CG2 3.48Å; L149-V176 HydrophobicContact CD2-CG2 4.01Å; L149-V176 HydrophobicContact CG-CG2 4.39Å; L149-I191 HydrophobicContact CD2-CD1 4.17Å
150	V	98.8	Very high	97.3	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	18%	0.175	C	C	.	.	H	α-helix	trans	-66.5	-35	-178.4	179.5	0	0	0	0	110.2	V79 T146 L147 V153 L154 A223	V79-V150 HydrophobicContact CG2-CG2 4.2Å; T146-V150 HydrophobicContact CG2-CG2 3.97Å; T146-V150 WeakPolarHBondContact O-CG2 3.24Å; T146-V150 PolarHBondContact O-N 3.48Å; L147-V150 PolarHBondContact O-N 2.96Å; V150-V153 PolarHBondContact O-N 2.87Å; V150-L154 HydrophobicContact CG1-CD1 4.19Å; V150-L154 HydrophobicContact CG1-CG 4.34Å; V150-L154 VanDerWaalsContact O-CG 3.27Å; V150-L154 WeakPolarHBondContact O-CG 3.48Å; V150-L154 PolarHBondContact O-N 3.36Å; V150-A223 HydrophobicContact CB-CB 3.63Å; V150-A223 HydrophobicContact CG1-CB 3.65Å
151	L	98.7	Very high	97	Very high	48 Å²	48	36.2 Å²	36.2	25%	0.251	17%	0.174	S	C	.	.	H	α-helix	trans	-62	-43.9	173.6	-176.7	63.6	0	0	0	111.6	L147 L149 L154 A155 A223 I226 Y227	L147-L151 WeakPolarHBondContact O-CB 3.42Å; L147-L151 PolarHBondContact O-N 2.98Å; L149-L151 VanDerWaalsContact C-N 3.27Å; L149-L151 PolarHBondContact O-N 2.86Å; L151-L154 PolarHBondContact O-N 3.14Å; L151-A155 WeakPolarHBondContact O-CB 3.32Å; L151-A155 PolarHBondContact O-N 3.01Å; L151-A223 HydrophobicContact CB-CB 4.18Å; L151-I226 HydrophobicContact CD1-CG2 4.47Å; L151-Y227 HydrophobicContact CD1-CD2 3.73Å; L151-Y227 HydrophobicContact CD1-CG 4.19Å
152	C	98.7	Very high	96.8	Very high	28 Å²	28	45.2 Å²	45.2	19%	0.189	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-47.7	173.8	-179.6	0	0	0	0	111.1	Q148 L149 L154 A155 T156	Q148-C152 WeakPolarHBondContact O-CB 3.48Å; Q148-C152 PolarHBondContact O-N 2.97Å; L149-C152 WeakPolarHBondContact O-CB 3.37Å; L149-C152 PolarHBondContact O-N 2.96Å; C152-L154 PolarHBondContact O-N 3.05Å; C152-A155 PolarHBondContact O-N 3.05Å; C152-T156 VanDerWaalsContact O-CB 3.24Å; C152-T156 WeakPolarHBondContact O-CB 3.43Å; C152-T156 PolarHBondContact O-N 2.97Å; C152-T156 PolarHBondContact O-OG1 3.05Å
153	V	98.4	Very high	96.6	Very high	10 Å²	10	50.5 Å²	50.5	6%	0.061	23%	0.234	C	C	.	.	H	α-helix	trans	-58.1	-48.9	177.3	173	0	0	0	0	111.4	V79 L149 V150 A155 T156 T157 I172	V79-V153 HydrophobicContact CG1-CB 4.5Å; V79-V153 HydrophobicContact CG1-CG1 3.93Å; V79-V153 HydrophobicContact CG1-CG2 4.29Å; V79-V153 HydrophobicContact CG2-CG2 4.41Å; L149-V153 HydrophobicContact CD1-CG2 4.36Å; L149-V153 WeakPolarHBondContact O-CG2 3.16Å; L149-V153 PolarHBondContact O-N 2.93Å; V150-V153 PolarHBondContact O-N 2.87Å; V153-A155 VanDerWaalsContact C-N 3.34Å; V153-A155 PolarHBondContact O-N 3.08Å; V153-T156 PolarHBondContact O-N 3.03Å; V153-T157 HydrophobicContact CG1-CG2 4.32Å; V153-T157 WeakPolarHBondContact O-CB 3.4Å; V153-T157 WeakPolarHBondContact O-CG2 3.43Å; V153-T157 PolarHBondContact O-N 3.16Å; V153-T157 PolarHBondContact O-OG1 2.77Å; V153-I172 HydrophobicContact CG2-CD1 4.25Å; V153-I172 HydrophobicContact CG2-CG1 4.18Å; V153-I172 HydrophobicContact CG2-CG2 3.94Å
154	L	97.3	Very high	96.3	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-45.9	178.8	-69.4	170.5	0	0	0	111.2	L83 V150 L151 C152 T156 T157 D158 A223 V224 Y227	L83-L154 HydrophobicContact CD2-CD2 4Å; V150-L154 HydrophobicContact CG1-CD1 4.19Å; V150-L154 HydrophobicContact CG1-CG 4.34Å; V150-L154 VanDerWaalsContact O-CG 3.27Å; V150-L154 WeakPolarHBondContact O-CG 3.48Å; V150-L154 PolarHBondContact O-N 3.36Å; L151-L154 PolarHBondContact O-N 3.14Å; C152-L154 PolarHBondContact O-N 3.05Å; L154-T156 PolarHBondContact O-N 3.06Å; L154-T157 PolarHBondContact O-N 2.78Å; L154-D158 WeakPolarHBondContact O-CB 3.3Å; L154-D158 PolarHBondContact O-N 2.85Å; L154-A223 HydrophobicContact CD1-CB 4.29Å; L154-V224 HydrophobicContact CD1-CB 4.42Å; L154-V224 HydrophobicContact CD1-CG2 3.87Å; L154-Y227 HydrophobicContact CB-CD1 3.88Å; L154-Y227 HydrophobicContact CB-CE1 4.34Å; L154-Y227 HydrophobicContact CB-CG 4.02Å; L154-Y227 HydrophobicContact CD1-CG 4.48Å
155	A	97.5	Very high	96	Very high	18 Å²	18	51.8 Å²	51.8	15%	0.149	26%	0.259	C	S	.	.	H	α-helix	trans	-70.2	-30.5	-178.7	0	0	0	0	0	114.1	L151 C152 V153 R161 Y227	L151-A155 WeakPolarHBondContact O-CB 3.32Å; L151-A155 PolarHBondContact O-N 3.01Å; C152-A155 PolarHBondContact O-N 3.05Å; V153-A155 VanDerWaalsContact C-N 3.34Å; V153-A155 PolarHBondContact O-N 3.08Å; A155-R161 VanDerWaalsContact O-CD 3.27Å; A155-R161 WeakPolarHBondContact O-CD 3.36Å; A155-R161 PolarHBondContact O-NH1 2.88Å; A155-Y227 WeakPolarHBondContact CA-OH 3.18Å; A155-Y227 HydrophobicContact CB-CD2 4.28Å; A155-Y227 HydrophobicContact CB-CE2 3.55Å
156	T	96.5	Very high	95.8	Very high	22 Å²	22	55.8 Å²	55.8	14%	0.135	30%	0.3	C	S	.	.	H	α-helix	trans	-84.5	-25.2	179.9	-64.6	0	0	0	0	112.2	C152 V153 L154 L164 A168 I172	C152-T156 VanDerWaalsContact O-CB 3.24Å; C152-T156 WeakPolarHBondContact O-CB 3.43Å; C152-T156 PolarHBondContact O-N 2.97Å; C152-T156 PolarHBondContact O-OG1 3.05Å; V153-T156 PolarHBondContact O-N 3.03Å; L154-T156 PolarHBondContact O-N 3.06Å; T156-L164 VanDerWaalsContact O-CD1 3.3Å; T156-L164 WeakPolarHBondContact O-CD1 3.35Å; T156-A168 HydrophobicContact CG2-CB 3.28Å; T156-I172 HydrophobicContact CG2-CD1 4.2Å; T156-I172 HydrophobicContact CG2-CG1 4.28Å
157	T	94.5	Very high	95.7	Very high	58 Å²	58	58.2 Å²	58.2	36%	0.356	32%	0.317	S	S	.	.	H	α-helix	trans	-98.4	-0.6	177.6	59.6	0	0	0	0	113.3	V153 L154 R159	V153-T157 HydrophobicContact CG1-CG2 4.32Å; V153-T157 WeakPolarHBondContact O-CB 3.4Å; V153-T157 WeakPolarHBondContact O-CG2 3.43Å; V153-T157 PolarHBondContact O-N 3.16Å; V153-T157 PolarHBondContact O-OG1 2.77Å; L154-T157 PolarHBondContact O-N 2.78Å; T157-R159 PolarHBondContact O-N 2.98Å
158	D	93.8	Very high	95.5	Very high	13 Å²	13	58.9 Å²	58.9	7%	0.07	33%	0.327	C	S	.	.			trans	-66.8	106.3	176.4	-170.4	-10.6	0	0	0	111.7	L154 R160 R161 Y227	L154-D158 WeakPolarHBondContact O-CB 3.3Å; L154-D158 PolarHBondContact O-N 2.85Å; D158-R160 PolarHBondContact O-N 3.19Å; D158-R160 VanDerWaalsContact OD1-CB 3.25Å; D158-R160 WeakPolarHBondContact OD1-CB 3.45Å; D158-R160 WeakPolarHBondContact OD1-CG 3.41Å; D158-R160 IonicContact OD1-CZ 3.56Å; D158-R160 PolarHBondContact OD1-N 3.02Å; D158-R160 IonicContact OD1-NE 3.06Å; D158-R160 PolarHBondContact OD1-NE 2.93Å; D158-R160 IonicContact OD1-NH2 3.65Å; D158-R160 IonicContact OD2-CZ 3.83Å; D158-R160 IonicContact OD2-NE 2.94Å; D158-R160 PolarHBondContact OD2-NE 3.34Å; D158-R160 IonicContact OD2-NH2 3.86Å; D158-R160 PolarHBondContact OD2-NH2 3.36Å; D158-R161 HydrophobicContact CB-CG 4.18Å; D158-R161 WeakPolarHBondContact O-CB 3.2Å; D158-R161 PolarHBondContact O-N 2.68Å; D158-Y227 HydrophobicContact CB-CE1 4.17Å; D158-Y227 WeakPolarHBondContact CB-OH 3.32Å; D158-Y227 PolarHBondContact OD2-OH 3.26Å
159	R	89.5	Confident	95.5	Very high	141 Å²	141	57.7 Å²	57.7	53%	0.532	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.4	178.6	-67.3	-174.4	166.3	121.1	0.7	114.5	T157 R161 R162	T157-R159 PolarHBondContact O-N 2.98Å; R159-R161 VanDerWaalsContact C-N 3.32Å; R159-R162 PolarHBondContact O-NH1 2.96Å; R159-R162 VanDerWaalsContact O-NH1 3.16Å
160	R	92	Very high	95.5	Very high	102 Å²	102	61.2 Å²	61.2	39%	0.385	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-23.2	176.9	-59.1	172.6	-66.6	175.1	0.2	112	D158 A232 P233	D158-R160 PolarHBondContact O-N 3.19Å; D158-R160 VanDerWaalsContact OD1-CB 3.25Å; D158-R160 WeakPolarHBondContact OD1-CB 3.45Å; D158-R160 WeakPolarHBondContact OD1-CG 3.41Å; D158-R160 IonicContact OD1-CZ 3.56Å; D158-R160 PolarHBondContact OD1-N 3.02Å; D158-R160 IonicContact OD1-NE 3.06Å; D158-R160 PolarHBondContact OD1-NE 2.93Å; D158-R160 IonicContact OD1-NH2 3.65Å; D158-R160 IonicContact OD2-CZ 3.83Å; D158-R160 IonicContact OD2-NE 2.94Å; D158-R160 PolarHBondContact OD2-NE 3.34Å; D158-R160 IonicContact OD2-NH2 3.86Å; D158-R160 PolarHBondContact OD2-NH2 3.36Å; R160-A232 PolarHBondContact NH1-O 3.24Å; R160-A232 VanDerWaalsContact NH1-O 3.07Å; R160-A232 PolarHBondContact NH2-O 3.48Å; R160-P233 PolarHBondContact NH1-O 3.04Å
161	R	92.6	Very high	95.5	Very high	83 Å²	83	63 Å²	63	31%	0.313	36%	0.357	S	S	.	.			trans	-77.1	125.7	178.6	-68	-168.8	69.3	-174	4.8	110.5	A155 D158 R159 D163 L164	A155-R161 VanDerWaalsContact O-CD 3.27Å; A155-R161 WeakPolarHBondContact O-CD 3.36Å; A155-R161 PolarHBondContact O-NH1 2.88Å; D158-R161 HydrophobicContact CB-CG 4.18Å; D158-R161 WeakPolarHBondContact O-CB 3.2Å; D158-R161 PolarHBondContact O-N 2.68Å; R159-R161 VanDerWaalsContact C-N 3.32Å; R161-D163 WeakPolarHBondContact CB-OD1 3.32Å; R161-D163 IonicContact CZ-OD1 3.2Å; R161-D163 IonicContact CZ-OD2 2.68Å; R161-D163 IonicContact NE-OD1 3.57Å; R161-D163 PolarHBondContact NE-OD1 3.19Å; R161-D163 IonicContact NE-OD2 3.77Å; R161-D163 IonicContact NH2-OD1 2.72Å; R161-D163 IonicContact NH2-OD2 2.99Å; R161-D163 PolarHBondContact NH2-OD2 3.44Å; R161-L164 HydrophobicContact CB-CD1 4.2Å; R161-L164 HydrophobicContact CB-CG 4.05Å; R161-L164 VanDerWaalsContact CZ-CD2 3.47Å
162	R	93.5	Very high	95.5	Very high	220 Å²	220	62 Å²	62	83%	0.83	35%	0.351	S	S	*	.			trans	-112.3	-3.1	175.1	-57.1	-59.8	-174.9	-153.9	0.4	112.3	R159	R159-R162 PolarHBondContact O-NH1 2.96Å; R159-R162 VanDerWaalsContact O-NH1 3.16Å
163	D	95.5	Very high	95.5	Very high	111 Å²	111	60.6 Å²	60.6	59%	0.594	34%	0.342	S	S	*	.			trans	-91.7	-5.4	-177.7	65.6	-53.5	0	0	0	113.3	R161 G165	R161-D163 WeakPolarHBondContact CB-OD1 3.32Å; R161-D163 IonicContact CZ-OD1 3.2Å; R161-D163 IonicContact CZ-OD2 2.68Å; R161-D163 IonicContact NE-OD1 3.57Å; R161-D163 PolarHBondContact NE-OD1 3.19Å; R161-D163 IonicContact NE-OD2 3.77Å; R161-D163 IonicContact NH2-OD1 2.72Å; R161-D163 IonicContact NH2-OD2 2.99Å; R161-D163 PolarHBondContact NH2-OD2 3.44Å; D163-G165 PolarHBondContact O-N 2.95Å
164	L	92.8	Very high	95.5	Very high	77 Å²	77	64.4 Å²	64.4	40%	0.403	36%	0.361	S	S	.	.			trans	-64.9	118.2	179.3	-67.8	178.5	0	0	0	110.7	T156 R161	T156-L164 VanDerWaalsContact O-CD1 3.3Å; T156-L164 WeakPolarHBondContact O-CD1 3.35Å; R161-L164 HydrophobicContact CB-CD1 4.2Å; R161-L164 HydrophobicContact CB-CG 4.05Å; R161-L164 VanDerWaalsContact CZ-CD2 3.47Å
165	G	92.2	Very high	95.6	Very high	73 Å²	73	64.8 Å²	64.8	75%	0.753	36%	0.364	S	S	*	.			trans	-113.4	154.8	170.5	0	0	0	0	0	111.9	D163	D163-G165 PolarHBondContact O-N 2.95Å
166	G	93.7	Very high	95.6	Very high	84 Å²	84	64.2 Å²	64.2	87%	0.866	36%	0.359	S	S	*	.	S	Bend	trans	82.6	-154.8	178.4	0	0	0	0	0	114
167	S	96.4	Very high	95.8	Very high	51 Å²	51	63.5 Å²	63.5	36%	0.357	36%	0.355	S	S	.	.			trans	-99.1	112.2	-175.8	173.6	0	0	0	0	111.3	P169 L170 A171	S167-P169 WeakPolarHBondContact OG-CD 3.49Å; S167-L170 PolarHBondContact O-N 3.44Å; S167-L170 PolarHBondContact OG-N 2.89Å; S167-A171 PolarHBondContact O-N 3.41Å; S167-A171 VanDerWaalsContact O-N 3.08Å
168	A	96.5	Very high	96	Very high	44 Å²	44	65.5 Å²	65.5	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-55.7	-46.8	171.3	0	0	0	0	0	112.8	T156 L170 A171 I172	T156-A168 HydrophobicContact CG2-CB 3.28Å; A168-L170 VanDerWaalsContact C-N 3.31Å; A168-L170 PolarHBondContact O-N 3.46Å; A168-A171 PolarHBondContact O-N 2.93Å; A168-I172 WeakPolarHBondContact O-CG1 3.48Å; A168-I172 PolarHBondContact O-N 2.91Å; A168-I172 VanDerWaalsContact O-N 3.13Å
169	P	98.2	Very high	96.2	Very high	22 Å²	22	65 Å²	65	14%	0.143	36%	0.36	C	S	.	.	H	α-helix	trans	-55.1	-42.2	172.9	-31.2	38.3	0	0	0	113.9	A61 A64 Q65 S167 I172 G173	A61-P169 WeakPolarHBondContact CA-O 3.4Å; A61-P169 WeakPolarHBondContact O-CB 3.35Å; A64-P169 HydrophobicContact CB-CB 3.87Å; A64-P169 HydrophobicContact CB-CG 4.38Å; Q65-P169 HydrophobicContact CB-CB 3.95Å; Q65-P169 HydrophobicContact CB-CG 4.13Å; S167-P169 WeakPolarHBondContact OG-CD 3.49Å; P169-I172 PolarHBondContact O-N 3.17Å; P169-G173 PolarHBondContact O-N 2.64Å
170	L	98.5	Very high	96.6	Very high	78 Å²	78	58.3 Å²	58.3	41%	0.408	34%	0.336	S	S	.	.	H	α-helix	trans	-64.9	-43.2	178.5	-176.6	61.7	0	0	0	111.8	A61 S167 A168 I172 G173 L174	A61-L170 HydrophobicContact CB-CD1 4.34Å; S167-L170 PolarHBondContact O-N 3.44Å; S167-L170 PolarHBondContact OG-N 2.89Å; A168-L170 VanDerWaalsContact C-N 3.31Å; A168-L170 PolarHBondContact O-N 3.46Å; L170-I172 VanDerWaalsContact C-N 3.33Å; L170-I172 PolarHBondContact O-N 2.83Å; L170-G173 PolarHBondContact O-N 3.17Å; L170-L174 HydrophobicContact CD1-CD1 4.33Å; L170-L174 HydrophobicContact CD1-CG 4.16Å; L170-L174 HydrophobicContact CG-CD1 4.09Å; L170-L174 HydrophobicContact CG-CG 4.33Å; L170-L174 WeakPolarHBondContact O-CB 3.23Å; L170-L174 WeakPolarHBondContact O-CG 3.07Å; L170-L174 PolarHBondContact O-N 2.88Å
171	A	98.5	Very high	96.9	Very high	40 Å²	40	57.9 Å²	57.9	33%	0.331	34%	0.34	S	S	.	.	H	α-helix	trans	-58.5	-45.1	177	0	0	0	0	0	111.8	S167 A168 L174 S175	S167-A171 PolarHBondContact O-N 3.41Å; S167-A171 VanDerWaalsContact O-N 3.08Å; A168-A171 PolarHBondContact O-N 2.93Å; A171-L174 PolarHBondContact O-N 2.89Å; A171-S175 PolarHBondContact O-N 2.89Å
172	I	98.5	Very high	97.2	Very high	25 Å²	25	57.3 Å²	57.3	13%	0.128	34%	0.343	C	S	.	.	H	α-helix	trans	-64.8	-44.4	177.2	-65	168.9	0	0	0	110.7	I60 L149 V153 T156 A168 P169 L170 L174 S175 V176	I60-I172 HydrophobicContact CG2-CG2 3.93Å; L149-I172 HydrophobicContact CD1-CG2 4.41Å; V153-I172 HydrophobicContact CG2-CD1 4.25Å; V153-I172 HydrophobicContact CG2-CG1 4.18Å; V153-I172 HydrophobicContact CG2-CG2 3.94Å; T156-I172 HydrophobicContact CG2-CD1 4.2Å; T156-I172 HydrophobicContact CG2-CG1 4.28Å; A168-I172 WeakPolarHBondContact O-CG1 3.48Å; A168-I172 PolarHBondContact O-N 2.91Å; A168-I172 VanDerWaalsContact O-N 3.13Å; P169-I172 PolarHBondContact O-N 3.17Å; L170-I172 VanDerWaalsContact C-N 3.33Å; L170-I172 PolarHBondContact O-N 2.83Å; I172-L174 PolarHBondContact O-N 3.29Å; I172-S175 WeakPolarHBondContact O-CB 3.31Å; I172-S175 PolarHBondContact O-N 3.42Å; I172-V176 PolarHBondContact O-N 3.4Å
173	G	98.8	Very high	97.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-39.7	177.3	0	0	0	0	0	113.4	G57 P169 L170 S175 V176 A177	G57-G173 CarbonylContact C-O 3.12Å; G57-G173 WeakPolarHBondContact CA-O 3.26Å; G57-G173 CarbonylContact O-C 3.3Å; G57-G173 WeakPolarHBondContact O-CA 3.27Å; P169-G173 PolarHBondContact O-N 2.64Å; L170-G173 PolarHBondContact O-N 3.17Å; G173-S175 VanDerWaalsContact C-N 3.32Å; G173-S175 PolarHBondContact O-N 3.46Å; G173-V176 WeakPolarHBondContact O-CB 3.43Å; G173-V176 PolarHBondContact O-N 3.02Å; G173-A177 PolarHBondContact O-N 3.1Å
174	L	98.8	Very high	97.6	Very high	90 Å²	90	42.7 Å²	42.7	47%	0.471	28%	0.281	S	S	.	.	H	α-helix	trans	-66.3	-34.3	173.9	-70.1	177.4	0	0	0	112.1	L170 A171 I172 V176 A177 L178	L170-L174 HydrophobicContact CD1-CD1 4.33Å; L170-L174 HydrophobicContact CD1-CG 4.16Å; L170-L174 HydrophobicContact CG-CD1 4.09Å; L170-L174 HydrophobicContact CG-CG 4.33Å; L170-L174 WeakPolarHBondContact O-CB 3.23Å; L170-L174 WeakPolarHBondContact O-CG 3.07Å; L170-L174 PolarHBondContact O-N 2.88Å; A171-L174 PolarHBondContact O-N 2.89Å; I172-L174 PolarHBondContact O-N 3.29Å; L174-V176 VanDerWaalsContact C-N 3.32Å; L174-A177 PolarHBondContact O-N 3.18Å; L174-L178 WeakPolarHBondContact O-CB 3.43Å; L174-L178 PolarHBondContact O-N 2.93Å
175	S	98.9	Very high	97.9	Very high	8 Å²	8	43.6 Å²	43.6	6%	0.056	29%	0.286	C	S	.	.	H	α-helix	trans	-63.9	-36.6	171.5	173.2	0	0	0	0	112.2	Q148 L149 A171 I172 G173 L178 G179	Q148-S175 PolarHBondContact NE2-O 3.47Å; Q148-S175 PolarHBondContact NE2-OG 3.19Å; Q148-S175 PolarHBondContact OE1-O 3.42Å; Q148-S175 PolarHBondContact OE1-OG 3.48Å; L149-S175 WeakPolarHBondContact CA-OG 3.34Å; A171-S175 PolarHBondContact O-N 2.89Å; I172-S175 WeakPolarHBondContact O-CB 3.31Å; I172-S175 PolarHBondContact O-N 3.42Å; G173-S175 VanDerWaalsContact C-N 3.32Å; G173-S175 PolarHBondContact O-N 3.46Å; S175-L178 PolarHBondContact O-N 2.93Å; S175-G179 PolarHBondContact O-N 3.01Å; S175-G179 VanDerWaalsContact O-N 3.13Å
176	V	98.8	Very high	98.2	Very high	7 Å²	7	45 Å²	45	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-65.4	-44.8	171.2	172.6	0	0	0	0	111.2	F56 I60 L149 I172 G173 L174 L178 G179 H180 I191	F56-V176 HydrophobicContact CB-CG1 4.17Å; I60-V176 HydrophobicContact CB-CG2 4.2Å; I60-V176 HydrophobicContact CG1-CB 4.44Å; I60-V176 HydrophobicContact CG1-CG1 4.15Å; I60-V176 HydrophobicContact CG1-CG2 4.07Å; I60-V176 HydrophobicContact CG2-CG2 4.04Å; L149-V176 HydrophobicContact CD1-CG2 3.48Å; L149-V176 VanDerWaalsContact CD1-CG2 3.48Å; L149-V176 HydrophobicContact CD2-CG2 4.01Å; L149-V176 HydrophobicContact CG-CG2 4.39Å; I172-V176 PolarHBondContact O-N 3.4Å; G173-V176 WeakPolarHBondContact O-CB 3.43Å; G173-V176 PolarHBondContact O-N 3.02Å; L174-V176 VanDerWaalsContact C-N 3.32Å; V176-L178 VanDerWaalsContact C-N 3.3Å; V176-L178 PolarHBondContact O-N 3.41Å; V176-G179 PolarHBondContact O-N 3.1Å; V176-H180 PolarHBondContact O-N 2.86Å; V176-H180 VanDerWaalsContact O-N 3.17Å; V176-H180 PolarHBondContact O-ND1 3.39Å; V176-I191 HydrophobicContact CG1-CD1 4.37Å
177	A	98.9	Very high	98.4	Very high	6 Å²	6	41 Å²	41	5%	0.05	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-41.2	175.3	0	0	0	0	0	111.9	S53 G173 L174 G179 H180 L181	S53-A177 WeakPolarHBondContact O-CA 3.46Å; S53-A177 WeakPolarHBondContact O-CB 3.36Å; G173-A177 PolarHBondContact O-N 3.1Å; L174-A177 PolarHBondContact O-N 3.18Å; A177-G179 VanDerWaalsContact C-N 3.34Å; A177-G179 PolarHBondContact O-N 2.91Å; A177-H180 PolarHBondContact O-N 3.33Å; A177-H180 VanDerWaalsContact O-N 3.11Å; A177-L181 WeakPolarHBondContact O-CG 3.36Å; A177-L181 PolarHBondContact O-N 3.37Å
178	L	98.8	Very high	98.5	Very high	100 Å²	100	40 Å²	40	52%	0.524	23%	0.226	S	C	.	.	H	α-helix	trans	-59.4	-43.5	176.4	179.6	61.9	0	0	0	112	L174 S175 V176 H180 L181 L182	L174-L178 WeakPolarHBondContact O-CB 3.43Å; L174-L178 PolarHBondContact O-N 2.93Å; S175-L178 PolarHBondContact O-N 2.93Å; V176-L178 VanDerWaalsContact C-N 3.3Å; V176-L178 PolarHBondContact O-N 3.41Å; L178-H180 VanDerWaalsContact C-N 3.27Å; L178-H180 PolarHBondContact O-N 2.89Å; L178-L181 PolarHBondContact O-N 3.48Å; L178-L182 PolarHBondContact O-N 3.48Å
179	G	98.8	Very high	98.6	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-36.7	174.8	0	0	0	0	0	112.8	S175 V176 A177 L182 A183 C189	S175-G179 PolarHBondContact O-N 3.01Å; S175-G179 VanDerWaalsContact O-N 3.13Å; V176-G179 PolarHBondContact O-N 3.1Å; A177-G179 VanDerWaalsContact C-N 3.34Å; A177-G179 PolarHBondContact O-N 2.91Å; G179-L182 PolarHBondContact O-N 2.79Å; G179-A183 VanDerWaalsContact O-CB 3.3Å; G179-A183 WeakPolarHBondContact O-CB 3.42Å; G179-A183 PolarHBondContact O-N 3.36Å; G179-C189 PolarHBondContact O-SG 3.26Å
180	H	98.7	Very high	98.6	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-73.5	-40.8	178	-74.1	72.3	0	0	0	112.6	S53 F56 V176 A177 L178 L182 A183 I184 C189	S53-H180 VanDerWaalsContact OG-C 3.29Å; S53-H180 VanDerWaalsContact OG-CB 3.3Å; S53-H180 WeakPolarHBondContact OG-CB 3.48Å; F56-H180 AromaticContact CD1-CE1 3.65Å; F56-H180 AromaticContact CD1-NE2 3.14Å; F56-H180 WeakPolarHBondContact CD1-NE2 3.37Å; F56-H180 AromaticContact CD2-CD2 3.69Å; F56-H180 AromaticContact CD2-NE2 3.65Å; F56-H180 AromaticContact CE1-NE2 3.68Å; F56-H180 AromaticContact CG-CD2 3.57Å; F56-H180 AromaticContact CG-CE1 3.68Å; F56-H180 AromaticContact CG-NE2 3.13Å; F56-H180 WeakPolarHBondContact CG-NE2 2.98Å; V176-H180 PolarHBondContact O-N 2.86Å; V176-H180 VanDerWaalsContact O-N 3.17Å; V176-H180 PolarHBondContact O-ND1 3.39Å; A177-H180 PolarHBondContact O-N 3.33Å; A177-H180 VanDerWaalsContact O-N 3.11Å; L178-H180 VanDerWaalsContact C-N 3.27Å; L178-H180 PolarHBondContact O-N 2.89Å; H180-L182 PolarHBondContact O-N 3.28Å; H180-L182 VanDerWaalsContact O-N 3.14Å; H180-A183 PolarHBondContact O-N 2.91Å; H180-I184 HydrophobicContact CB-CD1 3.91Å; H180-I184 HydrophobicContact CB-CG1 4.19Å; H180-I184 WeakPolarHBondContact O-CB 3.49Å; H180-I184 WeakPolarHBondContact O-CD1 3.45Å; H180-I184 WeakPolarHBondContact O-CG1 3.31Å; H180-I184 PolarHBondContact O-N 3.29Å; H180-I184 VanDerWaalsContact O-N 3.13Å; H180-C189 HydrophobicContact CB-CB 4.47Å; H180-C189 VanDerWaalsContact CE1-SG 3.58Å; H180-C189 VanDerWaalsContact CG-SG 3.57Å
181	L	98.7	Very high	98.6	Very high	92 Å²	92	33.3 Å²	33.3	48%	0.482	18%	0.184	S	C	.	.	H	α-helix	trans	-58.3	-27.3	174.7	-73	171.2	0	0	0	112.2	V50 S53 A177 L178	V50-L181 HydrophobicContact CG2-CD2 4.22Å; S53-L181 PolarHBondContact OG-N 2.89Å; S53-L181 VanDerWaalsContact OG-N 3.11Å; A177-L181 WeakPolarHBondContact O-CG 3.36Å; A177-L181 PolarHBondContact O-N 3.37Å; L178-L181 PolarHBondContact O-N 3.48Å
182	L	98.5	Very high	98.6	Very high	71 Å²	71	31.7 Å²	31.7	37%	0.372	17%	0.17	S	C	.	.	H	α-helix	trans	-84.5	-55.2	172.5	176.2	65.1	0	0	0	112.6	I144 L178 G179 H180 Y186	I144-L182 HydrophobicContact CG2-CD2 4.42Å; L178-L182 PolarHBondContact O-N 3.48Å; G179-L182 PolarHBondContact O-N 2.79Å; H180-L182 PolarHBondContact O-N 3.28Å; H180-L182 VanDerWaalsContact O-N 3.14Å; L182-Y186 VanDerWaalsContact O-CD2 3.23Å; L182-Y186 WeakPolarHBondContact O-CD2 3.17Å; L182-Y186 VanDerWaalsContact O-CE2 3.23Å; L182-Y186 WeakPolarHBondContact O-CE2 3.35Å
183	A	98.6	Very high	98.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-94.7	-11	-157.7	0	0	0	0	0	115.3	I141 G179 H180 D185 Y186 T187 G188 C189	I141-A183 HydrophobicContact CG2-CB 3.39Å; G179-A183 VanDerWaalsContact O-CB 3.3Å; G179-A183 WeakPolarHBondContact O-CB 3.42Å; G179-A183 PolarHBondContact O-N 3.36Å; H180-A183 PolarHBondContact O-N 2.91Å; A183-D185 VanDerWaalsContact C-N 3.29Å; A183-D185 PolarHBondContact O-N 2.83Å; A183-Y186 PolarHBondContact O-N 3.43Å; A183-T187 PolarHBondContact O-N 2.68Å; A183-T187 PolarHBondContact O-OG1 3.23Å; A183-G188 PolarHBondContact O-N 3.36Å; A183-C189 HydrophobicContact CB-CB 3.77Å; A183-C189 PolarHBondContact O-N 3.25Å
184	I	98.6	Very high	98.6	Very high	25 Å²	25	30.5 Å²	30.5	13%	0.128	16%	0.164	C	C	.	.	H	α-helix	trans	-54.3	-47	-179	-77.6	168.1	0	0	0	111.1	N49 V52 H180 Y186 G188 C189	N49-I184 HydrophobicContact CB-CD1 4.42Å; N49-I184 WeakPolarHBondContact OD1-CG2 3.22Å; V52-I184 HydrophobicContact CB-CD1 3.84Å; V52-I184 HydrophobicContact CG1-CD1 3.68Å; V52-I184 HydrophobicContact CG1-CG1 4.5Å; H180-I184 HydrophobicContact CB-CD1 3.91Å; H180-I184 HydrophobicContact CB-CG1 4.19Å; H180-I184 WeakPolarHBondContact O-CB 3.49Å; H180-I184 WeakPolarHBondContact O-CD1 3.45Å; H180-I184 WeakPolarHBondContact O-CG1 3.31Å; H180-I184 PolarHBondContact O-N 3.29Å; H180-I184 VanDerWaalsContact O-N 3.13Å; I184-Y186 PolarHBondContact O-N 2.91Å; I184-G188 VanDerWaalsContact O-CA 3.26Å; I184-G188 WeakPolarHBondContact O-CA 3.25Å; I184-G188 PolarHBondContact O-N 2.85Å; I184-C189 HydrophobicContact CG1-CB 4.07Å
185	D	98.3	Very high	98.6	Very high	96 Å²	96	26.6 Å²	26.6	51%	0.513	14%	0.143	S	C	.	.	H	α-helix	trans	-71.1	-16.7	-174	-62.9	-39.3	0	0	0	113.8	N49 A130 A183	N49-D185 VanDerWaalsContact ND2-CG 3.31Å; N49-D185 PolarHBondContact ND2-OD1 3.06Å; N49-D185 PolarHBondContact ND2-OD2 3.36Å; A130-D185 WeakPolarHBondContact CB-O 3.37Å; A183-D185 VanDerWaalsContact C-N 3.29Å; A183-D185 PolarHBondContact O-N 2.83Å
186	Y	98.6	Very high	98.6	Very high	102 Å²	102	26.3 Å²	26.3	40%	0.4	14%	0.14	S	C	.	.	H	α-helix	trans	-103	-42.6	-176.3	-57.1	-84.5	0	0	0	112.8	A130 V133 I141 L182 A183 I184	A130-Y186 PolarHBondContact N-O 3.34Å; V133-Y186 HydrophobicContact CG2-CD1 3.99Å; I141-Y186 HydrophobicContact CD1-CD2 4.13Å; I141-Y186 HydrophobicContact CD1-CE2 4.34Å; I141-Y186 HydrophobicContact CD1-CG 4.3Å; I141-Y186 HydrophobicContact CG1-CD2 4.32Å; I141-Y186 HydrophobicContact CG1-CG 4.07Å; I141-Y186 HydrophobicContact CG2-CD2 4.46Å; L182-Y186 VanDerWaalsContact O-CD2 3.23Å; L182-Y186 WeakPolarHBondContact O-CD2 3.17Å; L182-Y186 VanDerWaalsContact O-CE2 3.23Å; L182-Y186 WeakPolarHBondContact O-CE2 3.35Å; A183-Y186 PolarHBondContact O-N 3.43Å; I184-Y186 PolarHBondContact O-N 2.91Å
187	T	98.6	Very high	98.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-134.3	1.1	-169.1	64.4	0	0	0	0	113.8	N127 D128 L129 I141 E142 A183 C189	N127-T187 WeakPolarHBondContact CB-O 3.34Å; N127-T187 PolarHBondContact ND2-O 3.5Å; D128-T187 PolarHBondContact N-O 2.94Å; D128-T187 CarbonylContact O-C 3.48Å; D128-T187 WeakPolarHBondContact O-CA 3.48Å; L129-T187 HydrophobicContact CD2-CG2 4.24Å; I141-T187 HydrophobicContact CG2-CG2 4.45Å; E142-T187 HydrophobicContact CG-CG2 4.29Å; E142-T187 WeakPolarHBondContact OE1-CB 3.39Å; E142-T187 PolarHBondContact OE1-OG1 3.44Å; A183-T187 PolarHBondContact O-N 2.68Å; A183-T187 PolarHBondContact O-OG1 3.23Å; T187-C189 PolarHBondContact O-N 3.13Å; T187-C189 PolarHBondContact OG1-N 3.41Å
188	G	98.2	Very high	98.6	Very high	30 Å²	30	28.3 Å²	28.3	31%	0.309	15%	0.148	S	C	.	.	S	Bend	trans	69.1	9.6	-164.2	0	0	0	0	0	113.8	N127 A183 I184	N127-G188 PolarHBondContact ND2-O 3.42Å; N127-G188 VanDerWaalsContact ND2-O 3.14Å; A183-G188 PolarHBondContact O-N 3.36Å; I184-G188 VanDerWaalsContact O-CA 3.26Å; I184-G188 WeakPolarHBondContact O-CA 3.25Å; I184-G188 PolarHBondContact O-N 2.85Å
189	C	98.5	Very high	98.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.			trans	54.7	98.2	-173.4	-168.1	0	0	0	0	113.9	N127 G179 H180 A183 I184 T187 R195	N127-C189 PolarHBondContact ND2-O 2.86Å; G179-C189 PolarHBondContact O-SG 3.26Å; H180-C189 HydrophobicContact CB-CB 4.47Å; H180-C189 VanDerWaalsContact CE1-SG 3.58Å; H180-C189 VanDerWaalsContact CG-SG 3.57Å; A183-C189 HydrophobicContact CB-CB 3.77Å; A183-C189 PolarHBondContact O-N 3.25Å; I184-C189 HydrophobicContact CG1-CB 4.07Å; T187-C189 PolarHBondContact O-N 3.13Å; T187-C189 PolarHBondContact OG1-N 3.41Å; C189-R195 PolarHBondContact O-NE 2.95Å
190	G	98	Very high	98.6	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.01	12%	0.122	C	C	.	.			trans	-77.7	-74.3	172.1	0	0	0	0	0	110.4	N127 E142 N192	N127-G190 PolarHBondContact ND2-N 3.25Å; E142-G190 WeakPolarHBondContact OE1-CA 3.33Å; E142-G190 PolarHBondContact OE1-N 3.04Å; E142-G190 WeakPolarHBondContact OE2-CA 3.27Å; E142-G190 PolarHBondContact OE2-N 3.41Å; G190-N192 WeakPolarHBondContact O-CB 3.16Å; G190-N192 PolarHBondContact O-N 2.92Å
191	I	98.5	Very high	98.6	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.015	13%	0.132	C	C	.	.			trans	44.7	2.7	-174	70.3	171.7	0	0	0	116.1	N76 E142 T146 L149 V176	N76-I191 PolarHBondContact ND2-O 3.26Å; E142-I191 PolarHBondContact OE2-N 3.3Å; T146-I191 WeakPolarHBondContact OG1-CA 3.45Å; L149-I191 HydrophobicContact CD2-CD1 4.17Å; V176-I191 HydrophobicContact CG1-CD1 4.37Å
192	N	98.8	Very high	98.6	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.032	12%	0.119	C	C	.	.			trans	-153.2	102.3	-170.4	-178.2	-29.2	0	0	0	108.6	L75 N76 P77 G190 A194 R195 S196	L75-N192 PolarHBondContact O-ND2 3.48Å; N76-N192 HydrophobicContact CB-CB 4.42Å; N76-N192 WeakPolarHBondContact CB-ND2 3.32Å; N76-N192 VanDerWaalsContact CG-CG 3.45Å; N76-N192 WeakPolarHBondContact ND2-CB 3.34Å; N76-N192 WeakPolarHBondContact OD1-CA 3.42Å; P77-N192 WeakPolarHBondContact CD-OD1 3.34Å; G190-N192 WeakPolarHBondContact O-CB 3.16Å; G190-N192 PolarHBondContact O-N 2.92Å; N192-A194 VanDerWaalsContact C-N 3.3Å; N192-A194 PolarHBondContact O-N 3.31Å; N192-A194 PolarHBondContact OD1-N 3.4Å; N192-A194 VanDerWaalsContact OD1-N 3.09Å; N192-R195 HydrophobicContact CB-CB 3.92Å; N192-R195 PolarHBondContact O-N 3.02Å; N192-R195 PolarHBondContact OD1-N 3.14Å; N192-R195 VanDerWaalsContact OD1-N 3.14Å; N192-S196 PolarHBondContact O-N 3.09Å; N192-S196 VanDerWaalsContact O-N 3.16Å; N192-S196 PolarHBondContact O-OG 3.32Å
193	P	98.9	Very high	98.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.5	-37.2	-177.7	-26.2	33.6	0	0	0	114.2	N76 P77 A78 S196 F197 F212 W213 P216 F217	N76-P193 WeakPolarHBondContact OD1-CD 3.37Å; P77-P193 HydrophobicContact CB-CB 4.15Å; P77-P193 HydrophobicContact CB-CG 4.11Å; P77-P193 HydrophobicContact CG-CB 4.19Å; A78-P193 HydrophobicContact CB-CG 4.5Å; P193-S196 PolarHBondContact O-N 3.33Å; P193-F197 WeakPolarHBondContact O-CB 3.34Å; P193-F197 PolarHBondContact O-N 2.98Å; P193-F212 WeakPolarHBondContact CA-O 3.46Å; P193-F212 WeakPolarHBondContact CB-O 3.4Å; P193-F212 WeakPolarHBondContact CG-O 3.32Å; P193-W213 HydrophobicContact CB-CD2 3.62Å; P193-W213 HydrophobicContact CB-CE3 3.54Å; P193-W213 HydrophobicContact CB-CG 4.2Å; P193-W213 HydrophobicContact CB-CH2 4.08Å; P193-W213 HydrophobicContact CB-CZ2 4.14Å; P193-W213 HydrophobicContact CB-CZ3 3.78Å; P193-W213 HydrophobicContact CG-CE3 4.26Å; P193-P216 HydrophobicContact CG-CB 3.95Å; P193-P216 HydrophobicContact CG-CG 4.38Å; P193-F217 HydrophobicContact CG-CD1 4.1Å; P193-F217 HydrophobicContact CG-CE1 3.73Å; P193-F217 HydrophobicContact CG-CZ 4.4Å
194	A	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.5	-43.4	179.1	0	0	0	0	0	111.6	P77 Q101 A105 N192 S196 F197 G198	P77-A194 HydrophobicContact CG-CB 3.68Å; Q101-A194 HydrophobicContact CB-CB 3.85Å; A105-A194 HydrophobicContact CB-CB 4.36Å; A105-A194 WeakPolarHBondContact CB-O 3.42Å; N192-A194 VanDerWaalsContact C-N 3.3Å; N192-A194 PolarHBondContact O-N 3.31Å; N192-A194 PolarHBondContact OD1-N 3.4Å; N192-A194 VanDerWaalsContact OD1-N 3.09Å; A194-S196 VanDerWaalsContact C-N 3.34Å; A194-S196 PolarHBondContact O-N 3.46Å; A194-F197 PolarHBondContact O-N 3.25Å; A194-G198 PolarHBondContact O-N 2.86Å
195	R	98.8	Very high	98.6	Very high	8 Å²	8	30.7 Å²	30.7	3%	0.03	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-42.3	176.2	169	-94.7	-178	-86	10	112	F24 V25 F56 G125 N127 C189 N192	F24-R195 HydrophobicContact CE1-CB 4.23Å; F24-R195 HydrophobicContact CE1-CG 4.49Å; V25-R195 HydrophobicContact CG2-CB 4.3Å; F56-R195 HydrophobicContact CE1-CG 4.12Å; G125-R195 VanDerWaalsContact O-CZ 3.29Å; G125-R195 PolarHBondContact O-NH1 3.32Å; G125-R195 PolarHBondContact O-NH2 2.68Å; N127-R195 VanDerWaalsContact OD1-CZ 3.24Å; N127-R195 PolarHBondContact OD1-NE 3.38Å; N127-R195 PolarHBondContact OD1-NH1 3.46Å; C189-R195 PolarHBondContact O-NE 2.95Å; N192-R195 HydrophobicContact CB-CB 3.92Å; N192-R195 PolarHBondContact O-N 3.02Å; N192-R195 PolarHBondContact OD1-N 3.14Å; N192-R195 VanDerWaalsContact OD1-N 3.14Å
196	S	98.8	Very high	98.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-70	-40.3	177.1	-57.9	0	0	0	0	111	N127 N192 P193 A194 A200 H209 F212	N127-S196 WeakPolarHBondContact OD1-CB 3.33Å; N127-S196 PolarHBondContact OD1-OG 2.74Å; N192-S196 PolarHBondContact O-N 3.09Å; N192-S196 VanDerWaalsContact O-N 3.16Å; N192-S196 PolarHBondContact O-OG 3.32Å; P193-S196 PolarHBondContact O-N 3.33Å; A194-S196 VanDerWaalsContact C-N 3.34Å; A194-S196 PolarHBondContact O-N 3.46Å; S196-A200 PolarHBondContact O-N 3.13Å; S196-H209 PolarHBondContact O-CE1 3.36Å; S196-F212 WeakPolarHBondContact OG-CB 3.5Å
197	F	98.9	Very high	98.5	Very high	56 Å²	56	28.8 Å²	28.8	25%	0.246	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-43.3	-178.6	-175.5	-112.9	0	0	0	112.6	C102 I106 P193 A194 S199 A200 V201 F206 H209 W213	C102-F197 HydrophobicContact CB-CD1 3.96Å; C102-F197 HydrophobicContact CB-CE1 4.26Å; I106-F197 HydrophobicContact CD1-CD1 4.12Å; I106-F197 HydrophobicContact CD1-CE1 3.72Å; I106-F197 HydrophobicContact CG1-CD1 4.4Å; I106-F197 HydrophobicContact CG1-CE1 4.44Å; P193-F197 WeakPolarHBondContact O-CB 3.34Å; P193-F197 PolarHBondContact O-N 2.98Å; A194-F197 PolarHBondContact O-N 3.25Å; F197-S199 PolarHBondContact O-N 2.96Å; F197-A200 PolarHBondContact O-N 3.27Å; F197-V201 HydrophobicContact CD1-CG2 4.03Å; F197-V201 HydrophobicContact CD2-CG2 3.97Å; F197-V201 HydrophobicContact CE1-CG2 3.73Å; F197-V201 HydrophobicContact CE2-CG2 3.64Å; F197-V201 HydrophobicContact CG-CG2 4.15Å; F197-V201 HydrophobicContact CZ-CG2 3.51Å; F197-V201 VanDerWaalsContact O-CG2 3.29Å; F197-V201 WeakPolarHBondContact O-CG2 3.12Å; F197-V201 PolarHBondContact O-N 2.86Å; F197-F206 HydrophobicContact CD2-CE1 4.23Å; F197-F206 HydrophobicContact CE2-CE1 4.08Å; F197-H209 AromaticContact CD2-NE2 3.64Å; F197-W213 HydrophobicContact CB-CZ2 3.87Å; F197-W213 AromaticContact CD2-CZ2 3.99Å; F197-W213 HydrophobicContact CD2-CZ2 3.99Å; F197-W213 AromaticContact CG-CZ2 3.91Å; F197-W213 HydrophobicContact CG-CZ2 3.91Å
198	G	98.7	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-53.4	-52.3	178	0	0	0	0	0	112.7	A194 V201 I202	A194-G198 PolarHBondContact O-N 2.86Å; G198-V201 PolarHBondContact O-N 2.83Å; G198-I202 WeakPolarHBondContact O-CG1 3.41Å; G198-I202 PolarHBondContact O-N 3.07Å
199	S	98.7	Very high	98.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-43.9	176.2	-62.9	0	0	0	0	113.3	I29 L124 R126 F197 V201 T203	I29-S199 VanDerWaalsContact CD1-OG 3.24Å; I29-S199 WeakPolarHBondContact CD1-OG 3.44Å; L124-S199 WeakPolarHBondContact O-CB 3.46Å; L124-S199 PolarHBondContact O-OG 3.16Å; R126-S199 VanDerWaalsContact CA-CB 3.5Å; F197-S199 PolarHBondContact O-N 2.96Å; S199-V201 PolarHBondContact O-N 2.99Å; S199-T203 WeakPolarHBondContact O-CB 3.44Å; S199-T203 WeakPolarHBondContact O-CG2 3.27Å; S199-T203 PolarHBondContact O-N 2.84Å; S199-T203 VanDerWaalsContact O-N 3.1Å; S199-T203 PolarHBondContact O-OG1 3.11Å
200	A	98.7	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-40.4	-179.3	0	0	0	0	0	112.7	S196 F197 T203 H204 N205 F206 H209	S196-A200 PolarHBondContact O-N 3.13Å; F197-A200 PolarHBondContact O-N 3.27Å; A200-T203 PolarHBondContact O-OG1 3.46Å; A200-H204 WeakPolarHBondContact O-CA 3.42Å; A200-H204 PolarHBondContact O-N 2.89Å; A200-N205 WeakPolarHBondContact CA-O 3.42Å; A200-N205 WeakPolarHBondContact CB-O 3.48Å; A200-N205 PolarHBondContact O-N 2.8Å; A200-N205 VanDerWaalsContact O-N 3.12Å; A200-F206 HydrophobicContact CB-CD1 3.84Å; A200-F206 HydrophobicContact CB-CE1 3.77Å; A200-F206 HydrophobicContact CB-CG 4.41Å; A200-F206 HydrophobicContact CB-CZ 4.28Å; A200-H209 WeakPolarHBondContact CB-ND1 3.5Å
201	V	98.7	Very high	98.6	Very high	36 Å²	36	36.5 Å²	36.5	22%	0.218	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-50.8	178.6	169.3	0	0	0	0	111.4	I106 F197 G198 S199 T203 H204 F206	I106-V201 HydrophobicContact CD1-CB 4.48Å; I106-V201 HydrophobicContact CD1-CG1 4.22Å; I106-V201 HydrophobicContact CD1-CG2 4.23Å; I106-V201 HydrophobicContact CG1-CB 4.15Å; I106-V201 HydrophobicContact CG1-CG1 4.15Å; I106-V201 HydrophobicContact CG1-CG2 4.28Å; I106-V201 HydrophobicContact CG2-CG1 4.32Å; F197-V201 HydrophobicContact CD1-CG2 4.03Å; F197-V201 HydrophobicContact CD2-CG2 3.97Å; F197-V201 HydrophobicContact CE1-CG2 3.73Å; F197-V201 HydrophobicContact CE2-CG2 3.64Å; F197-V201 HydrophobicContact CG-CG2 4.15Å; F197-V201 HydrophobicContact CZ-CG2 3.51Å; F197-V201 VanDerWaalsContact O-CG2 3.29Å; F197-V201 WeakPolarHBondContact O-CG2 3.12Å; F197-V201 PolarHBondContact O-N 2.86Å; G198-V201 PolarHBondContact O-N 2.83Å; S199-V201 PolarHBondContact O-N 2.99Å; V201-T203 VanDerWaalsContact C-N 3.32Å; V201-T203 PolarHBondContact O-N 3.45Å; V201-H204 PolarHBondContact O-N 2.69Å; V201-H204 PolarHBondContact O-ND1 3.46Å; V201-F206 HydrophobicContact CB-CZ 4.44Å; V201-F206 HydrophobicContact CG2-CE1 4.25Å; V201-F206 HydrophobicContact CG2-CZ 3.85Å
202	I	98.5	Very high	98.6	Very high	44 Å²	44	36.4 Å²	36.4	23%	0.226	18%	0.179	C	C	.	.	H	α-helix	trans	-70.3	-31.3	-175.8	-59.4	-56.9	0	0	0	112.1	I106 T109 A110 L124 G198	I106-I202 HydrophobicContact CG2-CD1 3.87Å; T109-I202 HydrophobicContact CG2-CB 3.66Å; T109-I202 HydrophobicContact CG2-CG1 3.64Å; T109-I202 HydrophobicContact CG2-CG2 4.12Å; A110-I202 HydrophobicContact CB-CD1 3.78Å; A110-I202 HydrophobicContact CB-CG1 4.3Å; L124-I202 HydrophobicContact CD1-CB 4.32Å; L124-I202 HydrophobicContact CD1-CG2 3.59Å; G198-I202 WeakPolarHBondContact O-CG1 3.41Å; G198-I202 PolarHBondContact O-N 3.07Å
203	T	98.2	Very high	98.6	Very high	39 Å²	39	39 Å²	39	24%	0.239	19%	0.188	C	C	.	.	H	α-helix	trans	-89	-3	177.5	58.5	0	0	0	0	113.7	L124 R126 S199 A200 V201 N205	L124-T203 HydrophobicContact CB-CG2 4.02Å; L124-T203 HydrophobicContact CD1-CG2 3.89Å; L124-T203 HydrophobicContact CG-CG2 4.17Å; R126-T203 WeakPolarHBondContact CD-OG1 3.28Å; S199-T203 WeakPolarHBondContact O-CB 3.44Å; S199-T203 WeakPolarHBondContact O-CG2 3.27Å; S199-T203 PolarHBondContact O-N 2.84Å; S199-T203 VanDerWaalsContact O-N 3.1Å; S199-T203 PolarHBondContact O-OG1 3.11Å; A200-T203 PolarHBondContact O-OG1 3.46Å; V201-T203 VanDerWaalsContact C-N 3.32Å; V201-T203 PolarHBondContact O-N 3.45Å; T203-N205 PolarHBondContact O-N 2.68Å; T203-N205 VanDerWaalsContact O-N 3.14Å
204	H	98.1	Very high	98.6	Very high	163 Å²	163	41.8 Å²	41.8	76%	0.755	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	30.2	-173.2	-57.1	-67.9	0	0	0	114.4	A200 V201	A200-H204 WeakPolarHBondContact O-CA 3.42Å; A200-H204 PolarHBondContact O-N 2.89Å; V201-H204 PolarHBondContact O-N 2.69Å; V201-H204 PolarHBondContact O-ND1 3.46Å
205	N	98.1	Very high	98.6	Very high	60 Å²	60	41.8 Å²	41.8	32%	0.321	20%	0.204	S	C	.	.			trans	-122.3	110.4	-178.3	-170.3	-23.7	0	0	0	111	R126 A200 T203 S207	R126-N205 WeakPolarHBondContact CD-O 3.43Å; R126-N205 VanDerWaalsContact CZ-ND2 3.3Å; R126-N205 PolarHBondContact NH1-OD1 3.38Å; R126-N205 VanDerWaalsContact NH1-OD1 3.16Å; R126-N205 PolarHBondContact NH2-ND2 3.23Å; R126-N205 VanDerWaalsContact NH2-ND2 3.15Å; A200-N205 WeakPolarHBondContact CA-O 3.42Å; A200-N205 WeakPolarHBondContact CB-O 3.48Å; A200-N205 PolarHBondContact O-N 2.8Å; A200-N205 VanDerWaalsContact O-N 3.12Å; T203-N205 PolarHBondContact O-N 2.68Å; T203-N205 VanDerWaalsContact O-N 3.14Å; N205-S207 VanDerWaalsContact OD1-CB 3.3Å; N205-S207 WeakPolarHBondContact OD1-CB 3.06Å; N205-S207 PolarHBondContact OD1-N 3.31Å
206	F	98.4	Very high	98.6	Very high	98 Å²	98	41.4 Å²	41.4	43%	0.43	20%	0.203	S	C	.	.			trans	-111.6	22.3	-178.4	-65.8	-91.9	0	0	0	112.6	F197 A200 V201 N208 H209	F197-F206 HydrophobicContact CD2-CE1 4.23Å; F197-F206 HydrophobicContact CE2-CE1 4.08Å; A200-F206 HydrophobicContact CB-CD1 3.84Å; A200-F206 HydrophobicContact CB-CE1 3.77Å; A200-F206 HydrophobicContact CB-CG 4.41Å; A200-F206 HydrophobicContact CB-CZ 4.28Å; V201-F206 HydrophobicContact CB-CZ 4.44Å; V201-F206 HydrophobicContact CG2-CE1 4.25Å; V201-F206 HydrophobicContact CG2-CZ 3.85Å; F206-N208 PolarHBondContact O-N 2.56Å; F206-H209 HydrophobicContact CB-CB 3.97Å; F206-H209 HydrophobicContact CD1-CB 4.13Å; F206-H209 AromaticContact CD1-CD2 3.79Å; F206-H209 AromaticContact CD1-CG 3.82Å; F206-H209 WeakPolarHBondContact O-CB 3.38Å; F206-H209 PolarHBondContact O-N 3.13Å
207	S	97.8	Very high	98.6	Very high	59 Å²	59	44.1 Å²	44.1	41%	0.413	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	125.1	176.2	-173.3	0	0	0	0	110.7	N205 H209	N205-S207 VanDerWaalsContact OD1-CB 3.3Å; N205-S207 WeakPolarHBondContact OD1-CB 3.06Å; N205-S207 PolarHBondContact OD1-N 3.31Å; S207-H209 PolarHBondContact O-N 3.19Å
208	N	98.1	Very high	98.6	Very high	51 Å²	51	44.8 Å²	44.8	27%	0.273	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	18.4	-175.8	-66.1	-70.8	0	0	0	115.4	L129 S135 F206 W210 I211	L129-N208 HydrophobicContact CD1-CB 4.14Å; L129-N208 HydrophobicContact CG-CB 4.32Å; S135-N208 PolarHBondContact OG-OD1 2.97Å; F206-N208 PolarHBondContact O-N 2.56Å; N208-W210 PolarHBondContact O-N 3.42Å; N208-W210 VanDerWaalsContact O-N 3.07Å; N208-I211 HydrophobicContact CB-CD1 3.96Å; N208-I211 WeakPolarHBondContact O-CB 3.37Å; N208-I211 WeakPolarHBondContact O-CG1 3.37Å; N208-I211 PolarHBondContact O-N 3.45Å
209	H	98.6	Very high	98.6	Very high	17 Å²	17	44.8 Å²	44.8	8%	0.079	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.2	-169.3	-171.1	73.1	0	0	0	113.9	S196 F197 A200 F206 S207 I211 F212 W213	S196-H209 PolarHBondContact O-CE1 3.36Å; F197-H209 AromaticContact CD2-NE2 3.64Å; A200-H209 WeakPolarHBondContact CB-ND1 3.5Å; F206-H209 HydrophobicContact CB-CB 3.97Å; F206-H209 HydrophobicContact CD1-CB 4.13Å; F206-H209 AromaticContact CD1-CD2 3.79Å; F206-H209 AromaticContact CD1-CG 3.82Å; F206-H209 WeakPolarHBondContact O-CB 3.38Å; F206-H209 PolarHBondContact O-N 3.13Å; S207-H209 PolarHBondContact O-N 3.19Å; H209-I211 PolarHBondContact O-N 3.19Å; H209-I211 VanDerWaalsContact O-N 3.17Å; H209-F212 PolarHBondContact O-N 2.81Å; H209-F212 VanDerWaalsContact O-N 3.08Å; H209-W213 AromaticContact CD2-CD1 3.68Å; H209-W213 AromaticContact CD2-NE1 3.47Å; H209-W213 PolarHBondContact CD2-NE1 2.91Å; H209-W213 AromaticContact NE2-CD1 3.59Å; H209-W213 AromaticContact NE2-NE1 2.98Å; H209-W213 PolarHBondContact NE2-NE1 3.43Å
210	W	98.7	Very high	98.6	Very high	126 Å²	126	44.8 Å²	44.8	48%	0.477	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.6	176.8	70.4	-92.5	0	0	0	112.8	L139 N208 F212 W213 V214	L139-W210 HydrophobicContact CD1-CZ3 4.09Å; L139-W210 HydrophobicContact CD2-CH2 4.21Å; L139-W210 HydrophobicContact CD2-CZ3 4.18Å; N208-W210 PolarHBondContact O-N 3.42Å; N208-W210 VanDerWaalsContact O-N 3.07Å; W210-F212 VanDerWaalsContact C-N 3.25Å; W210-F212 PolarHBondContact O-N 3.03Å; W210-W213 PolarHBondContact O-N 2.84Å; W210-W213 VanDerWaalsContact O-N 3.13Å; W210-V214 HydrophobicContact CE3-CB 3.98Å; W210-V214 HydrophobicContact CE3-CG2 3.84Å; W210-V214 HydrophobicContact CZ3-CB 4.2Å; W210-V214 HydrophobicContact CZ3-CG1 4.29Å; W210-V214 HydrophobicContact CZ3-CG2 4.41Å; W210-V214 WeakPolarHBondContact O-CG2 3.32Å; W210-V214 PolarHBondContact O-N 3.24Å
211	I	98.8	Very high	98.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-39.6	178.1	-65.2	178.4	0	0	0	110.6	L129 L139 E142 N208 H209 W213 G215 P216	L129-I211 HydrophobicContact CD1-CD1 4.02Å; L129-I211 HydrophobicContact CD2-CD1 3.96Å; L129-I211 HydrophobicContact CG-CD1 4.29Å; L139-I211 HydrophobicContact CB-CG2 4.21Å; L139-I211 HydrophobicContact CD1-CG2 4.19Å; E142-I211 HydrophobicContact CG-CG2 4.04Å; N208-I211 HydrophobicContact CB-CD1 3.96Å; N208-I211 WeakPolarHBondContact O-CB 3.37Å; N208-I211 WeakPolarHBondContact O-CG1 3.37Å; N208-I211 PolarHBondContact O-N 3.45Å; H209-I211 PolarHBondContact O-N 3.19Å; H209-I211 VanDerWaalsContact O-N 3.17Å; I211-W213 PolarHBondContact O-N 3.27Å; I211-G215 WeakPolarHBondContact O-CA 3.36Å; I211-G215 PolarHBondContact O-N 2.93Å; I211-P216 WeakPolarHBondContact O-CD 3.48Å
212	F	98.8	Very high	98.6	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-77.8	-0.4	-177.8	-48.5	-55.3	0	0	0	113.7	N127 E142 P193 S196 H209 W210 P216	N127-F212 HydrophobicContact CB-CD1 3.93Å; N127-F212 HydrophobicContact CB-CD2 3.84Å; N127-F212 HydrophobicContact CB-CE1 3.64Å; N127-F212 HydrophobicContact CB-CE2 3.52Å; N127-F212 HydrophobicContact CB-CG 4.05Å; N127-F212 HydrophobicContact CB-CZ 3.43Å; N127-F212 VanDerWaalsContact CB-CZ 3.43Å; N127-F212 VanDerWaalsContact O-CE2 3.3Å; N127-F212 WeakPolarHBondContact O-CE2 3.22Å; E142-F212 HydrophobicContact CG-CD1 4.12Å; E142-F212 HydrophobicContact CG-CE1 4.36Å; P193-F212 WeakPolarHBondContact CA-O 3.46Å; P193-F212 WeakPolarHBondContact CB-O 3.4Å; P193-F212 WeakPolarHBondContact CG-O 3.32Å; S196-F212 WeakPolarHBondContact OG-CB 3.5Å; H209-F212 PolarHBondContact O-N 2.81Å; H209-F212 VanDerWaalsContact O-N 3.08Å; W210-F212 VanDerWaalsContact C-N 3.25Å; W210-F212 PolarHBondContact O-N 3.03Å; F212-P216 WeakPolarHBondContact O-CG 3.47Å
213	W	98.8	Very high	98.6	Very high	61 Å²	61	46 Å²	46	23%	0.231	23%	0.231	C	C	.	.	H	α-helix	trans	-107	-54	167.6	-72.1	83.7	0	0	0	110.8	P193 F197 H209 W210 I211 F217	P193-W213 HydrophobicContact CB-CD2 3.62Å; P193-W213 HydrophobicContact CB-CE3 3.54Å; P193-W213 HydrophobicContact CB-CG 4.2Å; P193-W213 HydrophobicContact CB-CH2 4.08Å; P193-W213 HydrophobicContact CB-CZ2 4.14Å; P193-W213 HydrophobicContact CB-CZ3 3.78Å; P193-W213 HydrophobicContact CG-CE3 4.26Å; F197-W213 HydrophobicContact CB-CZ2 3.87Å; F197-W213 AromaticContact CD2-CZ2 3.99Å; F197-W213 HydrophobicContact CD2-CZ2 3.99Å; F197-W213 AromaticContact CG-CZ2 3.91Å; F197-W213 HydrophobicContact CG-CZ2 3.91Å; H209-W213 AromaticContact CD2-CD1 3.68Å; H209-W213 AromaticContact CD2-NE1 3.47Å; H209-W213 PolarHBondContact CD2-NE1 2.91Å; H209-W213 AromaticContact NE2-CD1 3.59Å; H209-W213 AromaticContact NE2-NE1 2.98Å; H209-W213 PolarHBondContact NE2-NE1 3.43Å; W210-W213 PolarHBondContact O-N 2.84Å; W210-W213 VanDerWaalsContact O-N 3.13Å; I211-W213 PolarHBondContact O-N 3.27Å; W213-F217 HydrophobicContact CE3-CE1 4.42Å; W213-F217 AromaticContact CE3-CE2 3.81Å; W213-F217 HydrophobicContact CE3-CE2 3.81Å; W213-F217 AromaticContact CE3-CZ 3.62Å; W213-F217 HydrophobicContact CE3-CZ 3.62Å; W213-F217 HydrophobicContact CZ3-CE2 4.33Å; W213-F217 AromaticContact CZ3-CZ 3.84Å; W213-F217 HydrophobicContact CZ3-CZ 3.84Å; W213-F217 VanDerWaalsContact O-CB 3.26Å; W213-F217 WeakPolarHBondContact O-CB 3.41Å; W213-F217 VanDerWaalsContact O-CG 3.23Å; W213-F217 WeakPolarHBondContact O-CG 3.18Å; W213-F217 PolarHBondContact O-N 3.34Å
214	V	98.8	Very high	98.6	Very high	57 Å²	57	44.3 Å²	44.3	35%	0.345	22%	0.221	S	C	.	.	H	α-helix	trans	-65.2	-45.6	-175.1	176	0	0	0	0	111.2	L139 W210 F217 I218	L139-V214 HydrophobicContact CD1-CB 4.23Å; L139-V214 HydrophobicContact CD1-CG1 4.08Å; W210-V214 HydrophobicContact CE3-CB 3.98Å; W210-V214 HydrophobicContact CE3-CG2 3.84Å; W210-V214 HydrophobicContact CZ3-CB 4.2Å; W210-V214 HydrophobicContact CZ3-CG1 4.29Å; W210-V214 HydrophobicContact CZ3-CG2 4.41Å; W210-V214 WeakPolarHBondContact O-CG2 3.32Å; W210-V214 PolarHBondContact O-N 3.24Å; V214-F217 PolarHBondContact O-N 2.81Å; V214-I218 HydrophobicContact CG1-CD1 3.59Å; V214-I218 HydrophobicContact CG1-CG1 4.3Å; V214-I218 WeakPolarHBondContact O-CB 3.25Å; V214-I218 VanDerWaalsContact O-CG1 3.26Å; V214-I218 WeakPolarHBondContact O-CG1 3.46Å; V214-I218 PolarHBondContact O-N 2.95Å
215	G	98.9	Very high	98.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-56.5	179.8	0	0	0	0	0	112	L139 I143 I211 F217 I218 G219	L139-G215 VanDerWaalsContact CD1-CA 3.46Å; I143-G215 WeakPolarHBondContact CG1-O 3.29Å; I211-G215 WeakPolarHBondContact O-CA 3.36Å; I211-G215 PolarHBondContact O-N 2.93Å; G215-F217 VanDerWaalsContact C-N 3.34Å; G215-F217 PolarHBondContact O-N 2.92Å; G215-I218 PolarHBondContact O-N 2.7Å; G215-G219 PolarHBondContact O-N 3.49Å
216	P	98.9	Very high	98.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-37.7	178.1	-28.9	39.2	0	0	0	114.3	A78 T146 P193 I211 F212 G219 G220	A78-P216 HydrophobicContact CB-CB 3.78Å; T146-P216 HydrophobicContact CG2-CB 3.85Å; T146-P216 VanDerWaalsContact CG2-O 3.28Å; T146-P216 WeakPolarHBondContact CG2-O 3.4Å; T146-P216 VanDerWaalsContact OG1-CA 3.31Å; T146-P216 WeakPolarHBondContact OG1-CA 3.18Å; T146-P216 WeakPolarHBondContact OG1-CB 3.25Å; P193-P216 HydrophobicContact CG-CB 3.95Å; P193-P216 HydrophobicContact CG-CG 4.38Å; I211-P216 WeakPolarHBondContact O-CD 3.48Å; F212-P216 WeakPolarHBondContact O-CG 3.47Å; P216-G219 PolarHBondContact O-N 2.83Å; P216-G220 PolarHBondContact O-N 2.92Å
217	F	98.9	Very high	98.6	Very high	58 Å²	58	36.6 Å²	36.6	25%	0.254	19%	0.187	S	C	.	.	H	α-helix	trans	-68.3	-40.4	177.1	-74.2	-3.1	0	0	0	113	P77 A78 L81 P193 W213 V214 G215 G220 A221	P77-F217 HydrophobicContact CB-CE1 3.89Å; P77-F217 HydrophobicContact CB-CZ 4.2Å; A78-F217 HydrophobicContact CB-CD1 4.24Å; L81-F217 HydrophobicContact CD2-CB 3.71Å; L81-F217 HydrophobicContact CD2-CD1 3.62Å; L81-F217 HydrophobicContact CD2-CD2 3.99Å; L81-F217 HydrophobicContact CD2-CE1 4.15Å; L81-F217 HydrophobicContact CD2-CE2 4.49Å; L81-F217 HydrophobicContact CD2-CG 3.51Å; P193-F217 HydrophobicContact CG-CD1 4.1Å; P193-F217 HydrophobicContact CG-CE1 3.73Å; P193-F217 HydrophobicContact CG-CZ 4.4Å; W213-F217 HydrophobicContact CE3-CE1 4.42Å; W213-F217 AromaticContact CE3-CE2 3.81Å; W213-F217 HydrophobicContact CE3-CE2 3.81Å; W213-F217 AromaticContact CE3-CZ 3.62Å; W213-F217 HydrophobicContact CE3-CZ 3.62Å; W213-F217 HydrophobicContact CZ3-CE2 4.33Å; W213-F217 AromaticContact CZ3-CZ 3.84Å; W213-F217 HydrophobicContact CZ3-CZ 3.84Å; W213-F217 VanDerWaalsContact O-CB 3.26Å; W213-F217 WeakPolarHBondContact O-CB 3.41Å; W213-F217 VanDerWaalsContact O-CG 3.23Å; W213-F217 WeakPolarHBondContact O-CG 3.18Å; W213-F217 PolarHBondContact O-N 3.34Å; V214-F217 PolarHBondContact O-N 2.81Å; G215-F217 VanDerWaalsContact C-N 3.34Å; G215-F217 PolarHBondContact O-N 2.92Å; F217-G220 PolarHBondContact O-N 3.25Å; F217-A221 WeakPolarHBondContact O-CB 3.23Å; F217-A221 PolarHBondContact O-N 3.44Å
218	I	98.9	Very high	98.5	Very high	70 Å²	70	33.9 Å²	33.9	36%	0.359	17%	0.168	S	C	.	.	H	α-helix	trans	-63.4	-46.6	172.7	-70.2	171.7	0	0	0	110.1	I143 V214 G215 G220 A221 L222	I143-I218 HydrophobicContact CD1-CB 4.27Å; I143-I218 HydrophobicContact CD1-CD1 4.36Å; I143-I218 HydrophobicContact CD1-CG2 3.86Å; I143-I218 HydrophobicContact CG1-CB 4.07Å; I143-I218 HydrophobicContact CG1-CG2 3.97Å; I143-I218 HydrophobicContact CG2-CG2 4.17Å; V214-I218 HydrophobicContact CG1-CD1 3.59Å; V214-I218 HydrophobicContact CG1-CG1 4.3Å; V214-I218 WeakPolarHBondContact O-CB 3.25Å; V214-I218 VanDerWaalsContact O-CG1 3.26Å; V214-I218 WeakPolarHBondContact O-CG1 3.46Å; V214-I218 PolarHBondContact O-N 2.95Å; G215-I218 PolarHBondContact O-N 2.7Å; I218-G220 VanDerWaalsContact C-N 3.34Å; I218-G220 PolarHBondContact O-N 3.37Å; I218-A221 PolarHBondContact O-N 2.93Å; I218-L222 HydrophobicContact CG2-CD1 3.87Å; I218-L222 HydrophobicContact CG2-CG 4.25Å; I218-L222 WeakPolarHBondContact O-CB 3.36Å; I218-L222 WeakPolarHBondContact O-CG 3.08Å; I218-L222 PolarHBondContact O-N 2.85Å
219	G	98.9	Very high	98.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.2	-45.8	176.9	0	0	0	0	0	112.4	I143 L147 G215 P216 L222 A223	I143-G219 WeakPolarHBondContact O-CA 3.15Å; L147-G219 WeakPolarHBondContact CA-O 3.35Å; G215-G219 PolarHBondContact O-N 3.49Å; P216-G219 PolarHBondContact O-N 2.83Å; G219-L222 PolarHBondContact O-N 3.42Å; G219-A223 PolarHBondContact O-N 2.59Å
220	G	98.6	Very high	98.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-41.2	175.9	0	0	0	0	0	113.5	P216 F217 I218 A223 V224	P216-G220 PolarHBondContact O-N 2.92Å; F217-G220 PolarHBondContact O-N 3.25Å; I218-G220 VanDerWaalsContact C-N 3.34Å; I218-G220 PolarHBondContact O-N 3.37Å; G220-A223 WeakPolarHBondContact O-CB 3.38Å; G220-A223 PolarHBondContact O-N 2.65Å; G220-V224 WeakPolarHBondContact O-CG2 3.47Å; G220-V224 PolarHBondContact O-N 3.43Å
221	A	98.7	Very high	98.3	Very high	39 Å²	39	40.4 Å²	40.4	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-65.4	-42.1	175.8	0	0	0	0	0	112.1	L85 F217 I218 A223 V224 L225	L85-A221 HydrophobicContact CD1-CB 3.83Å; F217-A221 WeakPolarHBondContact O-CB 3.23Å; F217-A221 PolarHBondContact O-N 3.44Å; I218-A221 PolarHBondContact O-N 2.93Å; A221-A223 VanDerWaalsContact C-N 3.32Å; A221-A223 PolarHBondContact O-N 3.34Å; A221-V224 PolarHBondContact O-N 3.43Å; A221-L225 PolarHBondContact O-N 3.48Å
222	L	98.8	Very high	98.2	Very high	66 Å²	66	41.5 Å²	41.5	35%	0.346	22%	0.216	S	C	.	.	H	α-helix	trans	-63	-38.4	174.7	-72.5	175.1	0	0	0	111.7	I143 L147 I218 G219 V224 L225 I226	I143-L222 HydrophobicContact CG2-CD1 3.98Å; L147-L222 HydrophobicContact CD1-CB 3.91Å; I218-L222 HydrophobicContact CG2-CD1 3.87Å; I218-L222 HydrophobicContact CG2-CG 4.25Å; I218-L222 WeakPolarHBondContact O-CB 3.36Å; I218-L222 WeakPolarHBondContact O-CG 3.08Å; I218-L222 PolarHBondContact O-N 2.85Å; G219-L222 PolarHBondContact O-N 3.42Å; L222-V224 VanDerWaalsContact C-N 3.31Å; L222-V224 PolarHBondContact O-N 3.26Å; L222-L225 HydrophobicContact CD2-CD2 4.5Å; L222-L225 PolarHBondContact O-N 3.2Å; L222-I226 WeakPolarHBondContact O-CB 3.36Å; L222-I226 VanDerWaalsContact O-CG1 3.27Å; L222-I226 WeakPolarHBondContact O-CG1 3.48Å; L222-I226 PolarHBondContact O-N 3.41Å
223	A	98.8	Very high	97.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.4	-44.4	176.1	0	0	0	0	0	111.6	L147 V150 L151 L154 G219 G220 A221 I226 Y227	L147-A223 VanDerWaalsContact CD1-CA 3.42Å; L147-A223 HydrophobicContact CD1-CB 3.74Å; L147-A223 VanDerWaalsContact CD1-N 3.26Å; V150-A223 HydrophobicContact CB-CB 3.63Å; V150-A223 HydrophobicContact CG1-CB 3.65Å; L151-A223 HydrophobicContact CB-CB 4.18Å; L154-A223 HydrophobicContact CD1-CB 4.29Å; G219-A223 PolarHBondContact O-N 2.59Å; G220-A223 WeakPolarHBondContact O-CB 3.38Å; G220-A223 PolarHBondContact O-N 2.65Å; A221-A223 VanDerWaalsContact C-N 3.32Å; A221-A223 PolarHBondContact O-N 3.34Å; A223-I226 PolarHBondContact O-N 3.13Å; A223-Y227 WeakPolarHBondContact O-CB 3.39Å; A223-Y227 PolarHBondContact O-N 3.48Å
224	V	98.4	Very high	97.5	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.03	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-46.6	176.5	176.4	0	0	0	0	110.8	G82 L85 L154 G220 A221 L222 I226 Y227 D228 F229	G82-V224 WeakPolarHBondContact O-CG2 3.32Å; L85-V224 HydrophobicContact CB-CB 4.39Å; L85-V224 HydrophobicContact CB-CG1 4.07Å; L85-V224 HydrophobicContact CB-CG2 4.12Å; L154-V224 HydrophobicContact CD1-CB 4.42Å; L154-V224 HydrophobicContact CD1-CG2 3.87Å; G220-V224 WeakPolarHBondContact O-CG2 3.47Å; G220-V224 PolarHBondContact O-N 3.43Å; A221-V224 PolarHBondContact O-N 3.43Å; L222-V224 VanDerWaalsContact C-N 3.31Å; L222-V224 PolarHBondContact O-N 3.26Å; V224-I226 VanDerWaalsContact C-N 3.3Å; V224-I226 PolarHBondContact O-N 2.96Å; V224-Y227 PolarHBondContact O-N 2.81Å; V224-D228 HydrophobicContact CG1-CB 4.33Å; V224-D228 VanDerWaalsContact O-CB 3.25Å; V224-D228 WeakPolarHBondContact O-CB 3.31Å; V224-D228 PolarHBondContact O-N 2.92Å; V224-F229 HydrophobicContact CG1-CE2 4.45Å
225	L	98.4	Very high	97	Very high	89 Å²	89	48.3 Å²	48.3	47%	0.466	27%	0.265	S	S	.	.	H	α-helix	trans	-55.2	-48.7	177.4	179	62.9	0	0	0	111.2	A221 L222 F229	A221-L225 PolarHBondContact O-N 3.48Å; L222-L225 HydrophobicContact CD2-CD2 4.5Å; L222-L225 PolarHBondContact O-N 3.2Å; L225-F229 HydrophobicContact CD1-CB 4.4Å; L225-F229 HydrophobicContact CD1-CD2 4.32Å; L225-F229 WeakPolarHBondContact O-CB 3.47Å; L225-F229 PolarHBondContact O-N 3.43Å
226	I	98.6	Very high	96.5	Very high	51 Å²	51	51.2 Å²	51.2	26%	0.262	29%	0.286	S	S	.	.	I	π-helix	trans	-66.1	-49.6	-178.9	-68.9	172.5	0	0	0	110.8	L147 L151 L222 A223 V224 I230 L231	L147-I226 HydrophobicContact CD1-CD1 4.16Å; L151-I226 HydrophobicContact CD1-CG2 4.47Å; L222-I226 WeakPolarHBondContact O-CB 3.36Å; L222-I226 VanDerWaalsContact O-CG1 3.27Å; L222-I226 WeakPolarHBondContact O-CG1 3.48Å; L222-I226 PolarHBondContact O-N 3.41Å; A223-I226 PolarHBondContact O-N 3.13Å; V224-I226 VanDerWaalsContact C-N 3.3Å; V224-I226 PolarHBondContact O-N 2.96Å; I226-I230 HydrophobicContact CG1-CD1 4.49Å; I226-I230 WeakPolarHBondContact O-CB 3.32Å; I226-I230 PolarHBondContact O-N 2.98Å; I226-L231 HydrophobicContact CG2-CD1 3.48Å; I226-L231 VanDerWaalsContact CG2-CD1 3.48Å; I226-L231 HydrophobicContact CG2-CG 3.81Å; I226-L231 PolarHBondContact O-N 2.87Å
227	Y	98	Very high	96	Very high	19 Å²	19	55.5 Å²	55.5	8%	0.075	31%	0.309	C	S	.	.	I	π-helix	trans	-71.7	-50.6	-175	-163.3	-100.4	0	0	0	112.4	L151 L154 A155 D158 A223 V224 A232	L151-Y227 HydrophobicContact CD1-CD2 3.73Å; L151-Y227 HydrophobicContact CD1-CG 4.19Å; L154-Y227 HydrophobicContact CB-CD1 3.88Å; L154-Y227 HydrophobicContact CB-CE1 4.34Å; L154-Y227 HydrophobicContact CB-CG 4.02Å; L154-Y227 HydrophobicContact CD1-CG 4.48Å; A155-Y227 WeakPolarHBondContact CA-OH 3.18Å; A155-Y227 HydrophobicContact CB-CD2 4.28Å; A155-Y227 HydrophobicContact CB-CE2 3.55Å; D158-Y227 HydrophobicContact CB-CE1 4.17Å; D158-Y227 WeakPolarHBondContact CB-OH 3.32Å; D158-Y227 PolarHBondContact OD2-OH 3.26Å; A223-Y227 WeakPolarHBondContact O-CB 3.39Å; A223-Y227 PolarHBondContact O-N 3.48Å; V224-Y227 PolarHBondContact O-N 2.81Å; Y227-A232 HydrophobicContact CD1-CB 4.38Å; Y227-A232 HydrophobicContact CE1-CB 4.01Å; Y227-A232 HydrophobicContact CE2-CB 4.15Å; Y227-A232 CarbonylContact O-C 3.5Å; Y227-A232 VanDerWaalsContact O-C 3.3Å; Y227-A232 WeakPolarHBondContact O-CA 3.34Å; Y227-A232 PolarHBondContact O-N 2.96Å
228	D	96.1	Very high	95.6	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	32%	0.32	C	S	.	.	I	π-helix	trans	-84.2	-14.6	-168.5	-73.4	-3.8	0	0	0	114.6	S86 V224 P233 R234 R241	S86-D228 VanDerWaalsContact CA-OD2 3.23Å; S86-D228 WeakPolarHBondContact CA-OD2 3.13Å; S86-D228 VanDerWaalsContact CB-OD2 3.23Å; S86-D228 WeakPolarHBondContact CB-OD2 3.42Å; S86-D228 PolarHBondContact OG-OD1 3.22Å; S86-D228 PolarHBondContact OG-OD2 3.02Å; V224-D228 HydrophobicContact CG1-CB 4.33Å; V224-D228 VanDerWaalsContact O-CB 3.25Å; V224-D228 WeakPolarHBondContact O-CB 3.31Å; V224-D228 PolarHBondContact O-N 2.92Å; D228-P233 VanDerWaalsContact O-CA 3.31Å; D228-P233 WeakPolarHBondContact O-CA 3.16Å; D228-R234 IonicContact OD1-CZ 3.67Å; D228-R234 IonicContact OD1-NH1 2.7Å; D228-R234 PolarHBondContact OD1-NH1 3.16Å; D228-R234 IonicContact OD1-NH2 3.75Å; D228-R234 IonicContact OD2-CZ 3.93Å; D228-R234 IonicContact OD2-NH1 2.95Å; D228-R234 PolarHBondContact OD2-NH1 3.17Å; D228-R241 IonicContact OD2-CZ 3.96Å; D228-R241 IonicContact OD2-NH2 2.81Å; D228-R241 PolarHBondContact OD2-NH2 3.38Å
229	F	95.7	Very high	95.2	Very high	102 Å²	102	58.6 Å²	58.6	45%	0.447	33%	0.332	S	S	.	.	I	π-helix	trans	-128.5	-20.1	-174.8	-58.3	-89.3	0	0	0	114	V224 L225	V224-F229 HydrophobicContact CG1-CE2 4.45Å; L225-F229 HydrophobicContact CD1-CB 4.4Å; L225-F229 HydrophobicContact CD1-CD2 4.32Å; L225-F229 WeakPolarHBondContact O-CB 3.47Å; L225-F229 PolarHBondContact O-N 3.43Å
230	I	97.6	Very high	94.7	Very high	111 Å²	111	62.5 Å²	62.5	57%	0.569	35%	0.353	S	S	*	.	I	π-helix	trans	-109.9	-55.7	-179.7	-55.2	177.9	0	0	0	111	I226	I226-I230 HydrophobicContact CG1-CD1 4.49Å; I226-I230 WeakPolarHBondContact O-CB 3.32Å; I226-I230 PolarHBondContact O-N 2.98Å
231	L	97.6	Very high	94.3	Very high	118 Å²	118	63.4 Å²	63.4	62%	0.618	36%	0.356	S	S	*	.	I	π-helix	trans	-90.9	-44.7	-169	-59.4	-177.6	0	0	0	113.8	I226	I226-L231 HydrophobicContact CG2-CD1 3.48Å; I226-L231 VanDerWaalsContact CG2-CD1 3.48Å; I226-L231 HydrophobicContact CG2-CG 3.81Å; I226-L231 PolarHBondContact O-N 2.87Å
232	A	95.5	Very high	93.9	Very high	24 Å²	24	63.9 Å²	63.9	20%	0.198	36%	0.355	C	S	.	.	S	Bend	trans	-133.7	60.9	-177	0	0	0	0	0	112.6	R160 Y227	R160-A232 PolarHBondContact NH1-O 3.24Å; R160-A232 VanDerWaalsContact NH1-O 3.07Å; R160-A232 PolarHBondContact NH2-O 3.48Å; Y227-A232 HydrophobicContact CD1-CB 4.38Å; Y227-A232 HydrophobicContact CE1-CB 4.01Å; Y227-A232 HydrophobicContact CE2-CB 4.15Å; Y227-A232 CarbonylContact O-C 3.5Å; Y227-A232 VanDerWaalsContact O-C 3.3Å; Y227-A232 WeakPolarHBondContact O-CA 3.34Å; Y227-A232 PolarHBondContact O-N 2.96Å
233	P	94.1	Very high	93.5	Very high	70 Å²	70	66.6 Å²	66.6	46%	0.455	36%	0.364	S	S	.	.			trans	-56.7	143.3	-177.9	-22	33.6	0	0	0	113.6	R160 D228	R160-P233 PolarHBondContact NH1-O 3.04Å; D228-P233 VanDerWaalsContact O-CA 3.31Å; D228-P233 WeakPolarHBondContact O-CA 3.16Å
234	R	89.2	Confident	93.2	Very high	54 Å²	54	67.6 Å²	67.6	20%	0.204	37%	0.37	C	S	.	.			trans	-81.8	140.5	170.2	-70.5	179.2	-178.7	73.4	-2.5	109.2	S86 D228 S236	S86-R234 PolarHBondContact OG-NH2 3.23Å; D228-R234 IonicContact OD1-CZ 3.67Å; D228-R234 IonicContact OD1-NH1 2.7Å; D228-R234 PolarHBondContact OD1-NH1 3.16Å; D228-R234 IonicContact OD1-NH2 3.75Å; D228-R234 IonicContact OD2-CZ 3.93Å; D228-R234 IonicContact OD2-NH1 2.95Å; D228-R234 PolarHBondContact OD2-NH1 3.17Å; R234-S236 PolarHBondContact O-N 3.3Å
235	S	87.8	Confident	92.9	Very high	137 Å²	137	71.4 Å²	71.4	96%	0.958	38%	0.384	S	S	*	.	S	Bend	trans	-74.4	-11.9	178.1	-46	0	0	0	0	113.6
236	S	88.6	Confident	92.4	Very high	62 Å²	62	71 Å²	71	43%	0.434	39%	0.386	S	S	.	.	S	Bend	trans	-79.4	149.1	178.4	51.5	0	0	0	0	112.2	R234	R234-S236 PolarHBondContact O-N 3.3Å
237	D	89.5	Confident	91.3	Very high	90 Å²	90	71 Å²	71	48%	0.481	39%	0.39	S	S	.	.			trans	-66.7	149.7	175.6	-173.1	69.4	0	0	0	111.7	T239 D240 R241	D237-T239 VanDerWaalsContact C-N 3.26Å; D237-T239 PolarHBondContact O-N 2.87Å; D237-T239 VanDerWaalsContact OD2-CB 3.25Å; D237-T239 WeakPolarHBondContact OD2-CB 3.4Å; D237-T239 WeakPolarHBondContact OD2-CG2 3.3Å; D237-T239 PolarHBondContact OD2-N 3.23Å; D237-T239 PolarHBondContact OD2-OG1 2.9Å; D237-D240 PolarHBondContact O-N 3.47Å; D237-R241 WeakPolarHBondContact O-CG 3.31Å; D237-R241 PolarHBondContact O-N 2.66Å
238	L	89.7	Confident	90.1	Very high	92 Å²	92	70.2 Å²	70.2	48%	0.482	39%	0.387	S	S	.	.	H	α-helix	trans	-61.9	-35.5	-179.9	-175.4	63.7	0	0	0	112	D240 R241 V242	L238-D240 VanDerWaalsContact C-N 3.28Å; L238-D240 PolarHBondContact O-N 2.91Å; L238-R241 WeakPolarHBondContact O-CB 3.43Å; L238-R241 PolarHBondContact O-N 3.36Å; L238-V242 HydrophobicContact CD1-CG2 4.4Å; L238-V242 HydrophobicContact CG-CG2 4.33Å; L238-V242 VanDerWaalsContact O-CG2 3.32Å; L238-V242 WeakPolarHBondContact O-CG2 3.32Å; L238-V242 PolarHBondContact O-N 3.04Å
239	T	89.9	Confident	88.8	Confident	100 Å²	100	72 Å²	72	61%	0.613	40%	0.395	S	S	*	.	H	α-helix	trans	-64.2	-33.9	179.4	62.4	0	0	0	0	112.3	D237	D237-T239 VanDerWaalsContact C-N 3.26Å; D237-T239 PolarHBondContact O-N 2.87Å; D237-T239 VanDerWaalsContact OD2-CB 3.25Å; D237-T239 WeakPolarHBondContact OD2-CB 3.4Å; D237-T239 WeakPolarHBondContact OD2-CG2 3.3Å; D237-T239 PolarHBondContact OD2-N 3.23Å; D237-T239 PolarHBondContact OD2-OG1 2.9Å
240	D	89	Confident	86.7	Confident	82 Å²	82	72.7 Å²	72.7	44%	0.439	41%	0.408	S	S	.	.	H	α-helix	trans	-71.5	-40.8	173.9	-74.4	-35.2	0	0	0	111.7	D237 L238 V242 K243	D237-D240 PolarHBondContact O-N 3.47Å; L238-D240 VanDerWaalsContact C-N 3.28Å; L238-D240 PolarHBondContact O-N 2.91Å; D240-V242 VanDerWaalsContact C-N 3.34Å; D240-V242 PolarHBondContact O-N 2.91Å; D240-K243 WeakPolarHBondContact O-CB 3.4Å; D240-K243 PolarHBondContact O-N 3.05Å; D240-K243 IonicContact OD1-NZ 2.68Å; D240-K243 PolarHBondContact OD1-NZ 3.48Å
241	R	89.8	Confident	84.5	Confident	20 Å²	20	74.1 Å²	74.1	8%	0.075	41%	0.412	C	S	.	.	H	α-helix	trans	-60.2	-44.2	176.7	-66.4	175.7	63.9	-176.1	0.5	111.6	S86 C87 D228 D237 L238 K243 V244	S86-R241 PolarHBondContact O-NH2 2.96Å; C87-R241 HydrophobicContact CB-CB 3.85Å; C87-R241 WeakPolarHBondContact CB-O 3.25Å; D228-R241 IonicContact OD2-CZ 3.96Å; D228-R241 IonicContact OD2-NH2 2.81Å; D228-R241 PolarHBondContact OD2-NH2 3.38Å; D237-R241 WeakPolarHBondContact O-CG 3.31Å; D237-R241 PolarHBondContact O-N 2.66Å; L238-R241 WeakPolarHBondContact O-CB 3.43Å; L238-R241 PolarHBondContact O-N 3.36Å; R241-K243 PolarHBondContact O-N 3.49Å; R241-K243 VanDerWaalsContact O-N 3.13Å; R241-V244 WeakPolarHBondContact O-CB 3.3Å; R241-V244 WeakPolarHBondContact O-CG2 3.46Å; R241-V244 PolarHBondContact O-N 2.86Å; R241-V244 VanDerWaalsContact O-N 3.13Å
242	V	91.6	Very high	81.9	Confident	49 Å²	49	71.2 Å²	71.2	30%	0.297	40%	0.395	S	S	.	.	H	α-helix	trans	-62.2	-22	-177.2	167.2	0	0	0	0	112.9	L238 D240 V244 W245	L238-V242 HydrophobicContact CD1-CG2 4.4Å; L238-V242 HydrophobicContact CG-CG2 4.33Å; L238-V242 VanDerWaalsContact O-CG2 3.32Å; L238-V242 WeakPolarHBondContact O-CG2 3.32Å; L238-V242 PolarHBondContact O-N 3.04Å; D240-V242 VanDerWaalsContact C-N 3.34Å; D240-V242 PolarHBondContact O-N 2.91Å; V242-V244 PolarHBondContact O-N 2.94Å; V242-V244 VanDerWaalsContact O-N 3.14Å; V242-W245 HydrophobicContact CB-CE3 4.49Å; V242-W245 HydrophobicContact CG1-CD2 4.17Å; V242-W245 HydrophobicContact CG1-CE3 3.61Å; V242-W245 HydrophobicContact CG1-CZ3 3.88Å; V242-W245 HydrophobicContact CG2-CE3 4.46Å; V242-W245 HydrophobicContact CG2-CH2 4.22Å; V242-W245 HydrophobicContact CG2-CZ2 4.47Å; V242-W245 HydrophobicContact CG2-CZ3 4.22Å; V242-W245 WeakPolarHBondContact O-CB 3.47Å; V242-W245 PolarHBondContact O-N 3.24Å
243	K	90.8	Very high	79.1	Confident	122 Å²	122	71 Å²	71	53%	0.53	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-34.1	174.9	-66.5	171.5	-178.8	164.5	0	112.1	D240 R241 W245 T246 S247	D240-K243 WeakPolarHBondContact O-CB 3.4Å; D240-K243 PolarHBondContact O-N 3.05Å; D240-K243 IonicContact OD1-NZ 2.68Å; D240-K243 PolarHBondContact OD1-NZ 3.48Å; R241-K243 PolarHBondContact O-N 3.49Å; R241-K243 VanDerWaalsContact O-N 3.13Å; K243-W245 PolarHBondContact O-N 3.08Å; K243-W245 VanDerWaalsContact O-N 3.16Å; K243-T246 PolarHBondContact O-N 3.23Å; K243-T246 PolarHBondContact O-OG1 3.07Å; K243-S247 PolarHBondContact O-N 2.68Å; K243-S247 PolarHBondContact O-OG 3Å
244	V	90.7	Very high	76.2	Confident	22 Å²	22	73.3 Å²	73.3	13%	0.133	40%	0.398	C	S	.	.	H	α-helix	trans	-55.3	-33.5	177.7	175.9	0	0	0	0	112.4	C87 S90 R241 V242 T246 S247 G248 Q249	C87-V244 WeakPolarHBondContact O-CB 3.46Å; C87-V244 WeakPolarHBondContact O-CG1 3.24Å; C87-V244 WeakPolarHBondContact O-CG2 3.33Å; S90-V244 WeakPolarHBondContact CA-O 3.24Å; R241-V244 WeakPolarHBondContact O-CB 3.3Å; R241-V244 WeakPolarHBondContact O-CG2 3.46Å; R241-V244 PolarHBondContact O-N 2.86Å; R241-V244 VanDerWaalsContact O-N 3.13Å; V242-V244 PolarHBondContact O-N 2.94Å; V242-V244 VanDerWaalsContact O-N 3.14Å; V244-T246 PolarHBondContact O-N 2.85Å; V244-T246 VanDerWaalsContact O-N 3.08Å; V244-S247 PolarHBondContact O-N 2.99Å; V244-G248 WeakPolarHBondContact O-CA 3.45Å; V244-G248 PolarHBondContact O-N 3.18Å; V244-Q249 HydrophobicContact CG1-CG 4.19Å; V244-Q249 HydrophobicContact CG2-CG 4.45Å
245	W	92.6	Very high	73.7	Confident	84 Å²	84	76.3 Å²	76.3	32%	0.318	42%	0.417	S	S	.	.	H	α-helix	trans	-57.6	-28.9	179.3	-71.7	-10.1	0	0	0	113.4	L84 I91 V242 K243	L84-W245 PolarHBondContact O-NE1 3.21Å; I91-W245 HydrophobicContact CD1-CB 3.86Å; I91-W245 HydrophobicContact CD1-CD2 4.39Å; I91-W245 HydrophobicContact CD1-CE3 4.43Å; I91-W245 HydrophobicContact CD1-CG 4.18Å; I91-W245 HydrophobicContact CG1-CB 3.92Å; I91-W245 HydrophobicContact CG1-CG 4.11Å; I91-W245 PolarHBondContact N-O 3.35Å; V242-W245 HydrophobicContact CB-CE3 4.49Å; V242-W245 HydrophobicContact CG1-CD2 4.17Å; V242-W245 HydrophobicContact CG1-CE3 3.61Å; V242-W245 HydrophobicContact CG1-CZ3 3.88Å; V242-W245 HydrophobicContact CG2-CE3 4.46Å; V242-W245 HydrophobicContact CG2-CH2 4.22Å; V242-W245 HydrophobicContact CG2-CZ2 4.47Å; V242-W245 HydrophobicContact CG2-CZ3 4.22Å; V242-W245 WeakPolarHBondContact O-CB 3.47Å; V242-W245 PolarHBondContact O-N 3.24Å; K243-W245 PolarHBondContact O-N 3.08Å; K243-W245 VanDerWaalsContact O-N 3.16Å
246	T	87.6	Confident	71.2	Confident	82 Å²	82	75.3 Å²	75.3	50%	0.503	40%	0.401	S	S	.	.	H	α-helix	trans	-101.5	-32.2	-176.5	66.7	0	0	0	0	114.1	M1 K243 V244	M1-T246 VanDerWaalsContact CA-O 3.24Å; M1-T246 WeakPolarHBondContact CA-O 3.27Å; M1-T246 PolarHBondContact N-O 2.82Å; K243-T246 PolarHBondContact O-N 3.23Å; K243-T246 PolarHBondContact O-OG1 3.07Å; V244-T246 PolarHBondContact O-N 2.85Å; V244-T246 VanDerWaalsContact O-N 3.08Å
247	S	75.1	Confident	68.7	Low	51 Å²	51	75.9 Å²	75.9	36%	0.357	41%	0.41	S	S	.	.	H	α-helix	trans	-109.9	-11.9	-172.4	57.2	0	0	0	0	114.6	K243 V244	K243-S247 PolarHBondContact O-N 2.68Å; K243-S247 PolarHBondContact O-OG 3Å; V244-S247 PolarHBondContact O-N 2.99Å
248	G	74.1	Confident	66	Low	1 Å²	1	79 Å²	79	1%	0.01	43%	0.426	C	S	.	.			trans	72.7	176.5	-163.6	0	0	0	0	0	111.7	E4 V244 V250	E4-G248 WeakPolarHBondContact OE1-CA 3.19Å; V244-G248 WeakPolarHBondContact O-CA 3.45Å; V244-G248 PolarHBondContact O-N 3.18Å; G248-V250 PolarHBondContact O-N 3.09Å
249	Q	68.6	Low	63.5	Low	39 Å²	39	78.5 Å²	78.5	18%	0.182	42%	0.424	C	S	.	.			trans	-68.7	127.4	168.3	-83.5	-173.8	-9	0	0	108.9	Q88 V244 E251 E252	Q88-Q249 WeakPolarHBondContact O-CG 3.39Å; V244-Q249 HydrophobicContact CG1-CG 4.19Å; V244-Q249 HydrophobicContact CG2-CG 4.45Å; Q249-E251 PolarHBondContact O-N 3.03Å; Q249-E252 PolarHBondContact O-N 3.06Å
250	V	51	Low	60.9	Low	117 Å²	117	80.9 Å²	80.9	71%	0.709	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-56.2	-34.7	-177	179.5	0	0	0	0	111.4	G248 E252	G248-V250 PolarHBondContact O-N 3.09Å; V250-E252 PolarHBondContact O-N 3.16Å
251	E	51.4	Low	58.2	Low	140 Å²	140	84.8 Å²	84.8	65%	0.654	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-78.9	-12.9	-175.4	-67.2	-179.4	167.9	0	0	115.3	Q249 Y253	Q249-E251 PolarHBondContact O-N 3.03Å; E251-Y253 PolarHBondContact O-N 3.06Å
252	E	43.2	Very low	55.4	Low	57 Å²	57	87 Å²	87	27%	0.266	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-75.1	0.6	-171.3	-137.8	179.9	-154.4	0	0	113.9	R93 Q249 V250	R93-E252 IonicContact CZ-OE2 3.26Å; R93-E252 VanDerWaalsContact CZ-OE2 3.26Å; R93-E252 IonicContact NE-OE2 3.32Å; R93-E252 PolarHBondContact NE-OE2 3.26Å; R93-E252 IonicContact NH2-OE2 2.74Å; R93-E252 PolarHBondContact NH2-OE2 3.49Å; Q249-E252 PolarHBondContact O-N 3.06Å; V250-E252 PolarHBondContact O-N 3.16Å
253	Y	37.8	Very low	52.5	Low	21 Å²	21	95 Å²	95	8%	0.082	50%	0.496	C	S	.	.	G	3₁₀ helix	trans	-127.7	-2.1	-172.2	-61.6	-69.5	0	0	0	115.9	E4 K7 R93 E251	E4-Y253 WeakPolarHBondContact CB-OH 3.41Å; E4-Y253 HydrophobicContact CG-CE2 4.09Å; E4-Y253 WeakPolarHBondContact CG-OH 3.43Å; E4-Y253 PolarHBondContact OE1-OH 3.45Å; K7-Y253 HydrophobicContact CB-CD1 4.34Å; K7-Y253 HydrophobicContact CB-CE1 4.13Å; K7-Y253 HydrophobicContact CD-CD1 3.12Å; K7-Y253 HydrophobicContact CD-CD2 4.18Å; K7-Y253 HydrophobicContact CD-CE1 3.4Å; K7-Y253 VanDerWaalsContact CD-CE1 3.4Å; K7-Y253 HydrophobicContact CD-CE2 4.41Å; K7-Y253 HydrophobicContact CD-CG 3.54Å; K7-Y253 HydrophobicContact CG-CD1 4.32Å; K7-Y253 HydrophobicContact CG-CE1 4.37Å; K7-Y253 VanDerWaalsContact NZ-CD2 3.26Å; R93-Y253 PolarHBondContact NH2-OH 2.72Å; R93-Y253 VanDerWaalsContact NH2-OH 3.09Å; E251-Y253 PolarHBondContact O-N 3.06Å
254	D	32.3	Very low	49.6	Very low	118 Å²	118	94.9 Å²	94.9	63%	0.631	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-90.1	2.9	-177.7	-72.9	-23	0	0	0	113.6	D256 A257	D254-D256 PolarHBondContact O-N 3.21Å; D254-D256 VanDerWaalsContact O-N 3.09Å; D254-A257 PolarHBondContact O-N 3.39Å
255	L	37.7	Very low	46.6	Very low	116 Å²	116	101.1 Å²	101.1	61%	0.607	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-67.4	-6.4	175.3	-69.3	172.4	0	0	0	114.3
256	D	35.1	Very low	43.5	Very low	116 Å²	116	105.7 Å²	105.7	62%	0.62	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-92.1	1.7	179.4	-79.2	-19.1	0	0	0	114	L9 D254	L9-D256 WeakPolarHBondContact CD1-OD2 3.45Å; D254-D256 PolarHBondContact O-N 3.21Å; D254-D256 VanDerWaalsContact O-N 3.09Å
257	A	35.7	Very low	40.4	Very low	75 Å²	75	109.5 Å²	109.5	62%	0.62	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-39.6	-179.9	0	0	0	0	0	114.6	D254	D254-A257 PolarHBondContact O-N 3.39Å
258	D	32.4	Very low	38.5	Very low	154 Å²	154	112.9 Å²	112.9	82%	0.824	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.9	-2.8	-164.3	-72.9	-44.5	0	0	0	117.2
259	D	36.5	Very low	36.8	Very low	82 Å²	82	126.3 Å²	126.3	44%	0.439	65%	0.648	S	S	.	*			trans	-117.6	26.1	-163.3	-139.6	12.2	0	0	0	116.3	N261 S262	D259-N261 PolarHBondContact O-N 3.43Å; D259-S262 WeakPolarHBondContact OD1-CB 3.21Å; D259-S262 PolarHBondContact OD1-OG 2.84Å; D259-S262 PolarHBondContact OD2-OG 3.41Å
260	I	35.8	Very low	35.3	Very low	150 Å²	150	130.7 Å²	130.7	77%	0.769	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-17.9	173.2	-69.1	174.1	0	0	0	111.9
261	N	33.2	Very low	34.4	Very low	165 Å²	165	131.4 Å²	131.4	88%	0.882	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-3.6	-176.3	-81	-18.9	0	0	0	115.8	D259	D259-N261 PolarHBondContact O-N 3.43Å
262	S	29.3	Very low	33.5	Very low	65 Å²	65	130.9 Å²	130.9	46%	0.455	67%	0.671	S	S	.	*			trans	-106.4	2.2	-174.8	70.8	0	0	0	0	115.2	D259 V264	D259-S262 WeakPolarHBondContact OD1-CB 3.21Å; D259-S262 PolarHBondContact OD1-OG 2.84Å; D259-S262 PolarHBondContact OD2-OG 3.41Å; S262-V264 VanDerWaalsContact C-N 3.32Å; S262-V264 PolarHBondContact O-N 2.54Å
263	R	30.6	Very low	32.9	Very low	217 Å²	217	135.2 Å²	135.2	82%	0.819	69%	0.694	S	S	*	*	S	Bend	trans	-76.9	83.2	-179.3	-68.6	-171.2	-177.9	-161.5	-0.1	112	E265	R263-E265 PolarHBondContact O-N 3.27Å
264	V	30.7	Very low	32.6	Very low	121 Å²	121	142.4 Å²	142.4	73%	0.733	73%	0.733	S	S	*	*			trans	20.4	89.8	148.4	-172.1	0	0	0	0	114.5	S262 M266	S262-V264 VanDerWaalsContact C-N 3.32Å; S262-V264 PolarHBondContact O-N 2.54Å; V264-M266 PolarHBondContact O-N 3.33Å
265	E	28.3	Very low	32.6	Very low	152 Å²	152	144 Å²	144	71%	0.71	74%	0.739	S	S	*	*			trans	-61.7	113.4	148	-78.2	-175.1	150.2	0	0	107.8	R263 K267	R263-E265 PolarHBondContact O-N 3.27Å; E265-K267 HydrophobicContact CB-CG 4.3Å; E265-K267 PolarHBondContact O-N 2.93Å; E265-K267 WeakPolarHBondContact OE2-CE 3.49Å; E265-K267 IonicContact OE2-NZ 3.87Å
266	M	26.1	Very low	32.3	Very low	180 Å²	180	146 Å²	146	89%	0.887	75%	0.749	S	S	*	*			trans	-67.7	88.3	154	-75.6	-172.3	-176	0	0	107.2	V264 P268	V264-M266 PolarHBondContact O-N 3.33Å; M266-P268 WeakPolarHBondContact O-CD 3.04Å
267	K	24.1	Very low	32	Very low	163 Å²	163	148.3 Å²	148.3	71%	0.709	76%	0.759	S	S	*	*			trans	-68.4	122.9	163.8	-76.8	-173.3	178.9	177.6	0	107.9	E265	E265-K267 HydrophobicContact CB-CG 4.3Å; E265-K267 PolarHBondContact O-N 2.93Å; E265-K267 WeakPolarHBondContact OE2-CE 3.49Å; E265-K267 IonicContact OE2-NZ 3.87Å
268	P	33.9	Very low	31.7	Very low	122 Å²	122	154.4 Å²	154.4	79%	0.792	77%	0.77	S	S	*	*			trans	-66.4	140.3	166.6	30.3	-29.3	0	0	0	107.6	M266	M266-P268 WeakPolarHBondContact O-CD 3.04Å
269	K	40	Very low	31.7	Very low	282 Å²	282	154.5 Å²	154.5	100%	1.226	77%	0.766	S	S	*	*			trans	-60.7	0	169.8	-75.7	-175.5	175.4	-178.7	0	111

Retrieved 269 of 269 residues in 280.2 ms (Link to these results)

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