A0A077ZKD8_TRITR Loading...

Leukocyte receptor cluster member 8-like protein

AlphaFold DB , UniProt , Accession A0A077ZKD8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 214 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	37.9	Very low	55.4	Low	245 Å²	245	130 Å²	130	100%	1.207	75%	0.751	S	S	*	*				0	97.6	0	-71.6	175.2	161.4	0	0	107.2
2	S	36.1	Very low	58.5	Low	116 Å²	116	119.4 Å²	119.4	81%	0.811	69%	0.691	S	S	*	*			trans	-87.9	117.6	-164	36.7	0	0	0	0	112	S4	S2-S4 PolarHBondContact O-N 3.27Å
3	N	35.8	Very low	61.4	Low	174 Å²	174	116.8 Å²	116.8	93%	0.93	68%	0.678	S	S	*	*			trans	-66.6	108.9	170.7	-88.3	-26.9	0	0	0	110.9
4	S	36.6	Very low	63.8	Low	105 Å²	105	109.3 Å²	109.3	73%	0.734	64%	0.635	S	S	*	*			trans	-139.2	69.4	166.8	56.5	0	0	0	0	109.6	S2 Q6	S2-S4 PolarHBondContact O-N 3.27Å; S4-Q6 PolarHBondContact O-N 3.45Å
5	C	40.8	Very low	66	Low	131 Å²	131	109.3 Å²	109.3	89%	0.885	63%	0.627	S	S	*	*			trans	-85.7	103	168.4	-147.8	0	0	0	0	107.9	N7	C5-N7 PolarHBondContact O-N 2.7Å
6	Q	42.7	Very low	67.8	Low	182 Å²	182	110.1 Å²	110.1	85%	0.85	62%	0.623	S	S	*	*			trans	-60.5	115.5	176.1	-70.7	167.1	-23.8	0	0	109.4	S4 S8	S4-Q6 PolarHBondContact O-N 3.45Å; Q6-S8 VanDerWaalsContact C-N 3.34Å; Q6-S8 PolarHBondContact O-N 3.19Å
7	N	55.9	Low	69.5	Low	132 Å²	132	106.1 Å²	106.1	71%	0.706	60%	0.602	S	S	*	*			trans	-62.7	92.9	169.1	-98	-25.2	0	0	0	109	C5 V9	C5-N7 PolarHBondContact O-N 2.7Å; N7-V9 PolarHBondContact O-N 3.12Å
8	S	66.8	Low	70.8	Confident	106 Å²	106	105.8 Å²	105.8	74%	0.741	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-60.7	132	174.7	52	0	0	0	0	109.8	Q6 I10	Q6-S8 VanDerWaalsContact C-N 3.34Å; Q6-S8 PolarHBondContact O-N 3.19Å; S8-I10 PolarHBondContact O-N 3.39Å
9	V	80.7	Confident	72	Confident	81 Å²	81	101.4 Å²	101.4	49%	0.491	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-67.6	122.8	174.7	177.7	0	0	0	0	107.7	N7 V11 Q72	N7-V9 PolarHBondContact O-N 3.12Å; V9-V11 PolarHBondContact O-N 3.47Å; V9-Q72 WeakPolarHBondContact CG1-O 3.47Å
10	I	85.9	Confident	73.1	Confident	56 Å²	56	97.7 Å²	97.7	29%	0.287	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-68.3	131	176.1	-64.5	172	0	0	0	107.9	S8 V27 P29 Q72	S8-I10 PolarHBondContact O-N 3.39Å; I10-V27 HydrophobicContact CD1-CB 3.76Å; I10-V27 HydrophobicContact CD1-CG1 3.4Å; I10-V27 VanDerWaalsContact CD1-CG1 3.4Å; I10-V27 HydrophobicContact CD1-CG2 4.5Å; I10-V27 HydrophobicContact CG1-CG1 4.5Å; I10-V27 HydrophobicContact CG2-CG1 3.99Å; I10-P29 HydrophobicContact CG2-CG 4.09Å; I10-Q72 WeakPolarHBondContact O-CA 3.25Å; I10-Q72 WeakPolarHBondContact O-CG 3.46Å
11	V	90.6	Very high	73.9	Confident	102 Å²	102	98 Å²	98	62%	0.618	55%	0.547	S	S	*	.			trans	-108.4	122.5	171.7	-178.6	0	0	0	0	108	V9	V9-V11 PolarHBondContact O-N 3.47Å
12	G	92.2	Very high	76.3	Confident	3 Å²	3	90.8 Å²	90.8	3%	0.031	51%	0.513	C	S	.	.			trans	-69.4	148.9	-179.6	0	0	0	0	0	112.8	P29 V32 P34	G12-P29 WeakPolarHBondContact CA-O 3.31Å; G12-V32 CarbonylContact C-O 3.22Å; G12-V32 VanDerWaalsContact C-O 3.22Å; G12-V32 WeakPolarHBondContact CA-O 3.48Å; G12-P34 WeakPolarHBondContact O-CB 3.46Å; G12-P34 WeakPolarHBondContact O-CD 3.38Å
13	T	95.9	Very high	78.8	Confident	86 Å²	86	95.3 Å²	95.3	53%	0.528	51%	0.512	S	S	.	.			trans	-121.9	-2.6	178.3	58.7	0	0	0	0	113.3	Q15 P29 S30 V32	T13-Q15 PolarHBondContact O-N 3.06Å; T13-P29 HydrophobicContact CG2-CB 4.41Å; T13-P29 PolarHBondContact N-O 3.24Å; T13-P29 PolarHBondContact OG1-O 3.28Å; T13-S30 WeakPolarHBondContact OG1-CA 3.05Å; T13-S30 PolarHBondContact OG1-N 3.41Å; T13-V32 PolarHBondContact N-O 3.38Å
14	C	95.3	Very high	81	Confident	11 Å²	11	88.8 Å²	88.8	7%	0.074	48%	0.477	C	S	.	.			trans	-62.6	125.1	178.2	-173.9	0	0	0	0	111.5	S30 V32 R33 P34	C14-S30 WeakPolarHBondContact CB-O 3.47Å; C14-V32 VanDerWaalsContact CB-C 3.44Å; C14-V32 WeakPolarHBondContact CB-O 3.32Å; C14-V32 PolarHBondContact N-O 3.03Å; C14-R33 HydrophobicContact CB-CB 4.44Å; C14-R33 HydrophobicContact CB-CG 3.75Å; C14-R33 WeakPolarHBondContact O-CA 3.15Å; C14-P34 WeakPolarHBondContact O-CD 3.49Å
15	Q	96.8	Very high	83.2	Confident	110 Å²	110	90.2 Å²	90.2	51%	0.514	48%	0.482	S	S	.	.			trans	-98.3	-0.5	179.9	-65.7	-62	-39.5	0	0	113.9	T13 V17 V37	T13-Q15 PolarHBondContact O-N 3.06Å; Q15-V17 PolarHBondContact O-N 2.98Å; Q15-V37 VanDerWaalsContact OE1-CG2 3.3Å
16	E	95.7	Very high	85.3	Confident	121 Å²	121	88.7 Å²	88.7	57%	0.565	47%	0.468	S	S	*	.			trans	-67.8	118.1	179.7	-64.9	-179.2	-178.4	0	0	110.9	K19 R33	E16-K19 HydrophobicContact CB-CB 4.42Å; E16-R33 WeakPolarHBondContact O-CD 3.46Å
17	V	95.4	Very high	87.2	Confident	42 Å²	42	83.1 Å²	83.1	26%	0.255	45%	0.446	S	S	.	.	S	Bend	trans	-73.5	-40.7	177.5	179.7	0	0	0	0	110.5	Q15 R33 V37 R40 S41 L44	Q15-V17 PolarHBondContact O-N 2.98Å; V17-R33 PolarHBondContact O-NH1 3.27Å; V17-R33 VanDerWaalsContact O-NH1 3.09Å; V17-V37 HydrophobicContact CG2-CG1 4.45Å; V17-R40 HydrophobicContact CG1-CB 4.2Å; V17-R40 HydrophobicContact CG2-CB 4.34Å; V17-S41 VanDerWaalsContact O-CB 3.25Å; V17-S41 WeakPolarHBondContact O-CB 3.4Å; V17-S41 PolarHBondContact O-OG 2.88Å; V17-L44 HydrophobicContact CG1-CB 4.48Å; V17-L44 HydrophobicContact CG1-CD2 3.94Å
18	E	93.8	Very high	88.8	Confident	101 Å²	101	80.4 Å²	80.4	47%	0.472	43%	0.432	S	S	.	.	S	Bend	trans	-100.2	83.6	178.7	-69.6	-170	-103.5	0	0	111.8	L44 Q48 R61	E18-L44 HydrophobicContact CG-CD2 3.2Å; E18-L44 HydrophobicContact CG-CG 4.48Å; E18-Q48 PolarHBondContact OE2-NE2 3.08Å; E18-R61 PolarHBondContact O-NH1 2.84Å
19	K	94.2	Very high	90	Very high	23 Å²	23	77.8 Å²	77.8	10%	0.1	41%	0.412	C	S	.	.			trans	-113.8	133	178.6	-166.7	-171.2	73.3	-178.2	0	112.1	E16 Q31 R61 S64 D68	E16-K19 HydrophobicContact CB-CB 4.42Å; K19-Q31 PolarHBondContact NZ-O 3.33Å; K19-R61 VanDerWaalsContact O-CD 3.25Å; K19-R61 WeakPolarHBondContact O-CD 3.25Å; K19-R61 PolarHBondContact O-NH1 3.47Å; K19-R61 VanDerWaalsContact O-NH1 3.16Å; K19-S64 WeakPolarHBondContact CE-OG 3.43Å; K19-S64 WeakPolarHBondContact O-CB 3.23Å; K19-S64 PolarHBondContact O-OG 3.29Å; K19-D68 IonicContact NZ-OD1 2.71Å; K19-D68 PolarHBondContact NZ-OD1 3.33Å; K19-D68 IonicContact NZ-OD2 2.72Å; K19-D68 PolarHBondContact NZ-OD2 3.12Å
20	G	92.4	Very high	90.6	Very high	27 Å²	27	77 Å²	77	28%	0.278	41%	0.41	S	S	.	.			trans	-75.8	168.2	-177.8	0	0	0	0	0	111.1	L22 D60 S64	G20-L22 PolarHBondContact O-N 3.29Å; G20-D60 WeakPolarHBondContact CA-OD2 3.45Å; G20-S64 VanDerWaalsContact O-CB 3.31Å; G20-S64 WeakPolarHBondContact O-CB 3.49Å; G20-S64 PolarHBondContact O-OG 3.18Å
21	Y	90.7	Very high	90.9	Very high	105 Å²	105	77.7 Å²	77.7	41%	0.412	41%	0.412	S	S	.	.			trans	-73.7	128.2	171.8	178.2	-104.2	0	0	0	110.1	D60 K63 Q67	Y21-D60 VanDerWaalsContact CB-OD1 3.25Å; Y21-D60 WeakPolarHBondContact CB-OD1 3.46Å; Y21-D60 PolarHBondContact N-OD1 3.02Å; Y21-D60 VanDerWaalsContact N-OD1 3.17Å; Y21-D60 PolarHBondContact N-OD2 2.86Å; Y21-K63 HydrophobicContact CD2-CB 3.61Å; Y21-K63 HydrophobicContact CE2-CB 4.25Å; Y21-K63 HydrophobicContact CG-CB 3.86Å; Y21-Q67 HydrophobicContact CD2-CB 4.41Å; Y21-Q67 HydrophobicContact CE2-CB 4.12Å; Y21-Q67 HydrophobicContact CE2-CG 4.44Å; Y21-Q67 VanDerWaalsContact CE2-NE2 3.32Å
22	L	88.5	Confident	91.1	Very high	93 Å²	93	72.8 Å²	72.8	49%	0.487	38%	0.383	S	S	.	.			trans	-120.8	133.2	175.1	-174.1	68.5	0	0	0	108.5	G20 L24 Q67	G20-L22 PolarHBondContact O-N 3.29Å; L22-L24 HydrophobicContact CD2-CD2 3.95Å; L22-L24 HydrophobicContact CG-CD2 4.38Å; L22-L24 PolarHBondContact O-N 3.3Å; L22-Q67 VanDerWaalsContact O-CD 3.3Å; L22-Q67 PolarHBondContact O-NE2 2.94Å; L22-Q67 PolarHBondContact O-OE1 2.92Å
23	R	87.6	Confident	91.3	Very high	211 Å²	211	72.7 Å²	72.7	80%	0.796	38%	0.381	S	S	*	.			trans	-74	97.7	170.8	-172.9	178.3	-178.6	177.9	0.2	109	T25	R23-T25 PolarHBondContact O-N 2.97Å
24	L	82.4	Confident	91.4	Very high	37 Å²	37	69.1 Å²	69.1	19%	0.194	36%	0.36	C	S	.	.			trans	-70.2	120.5	178.2	-60.7	175.3	0	0	0	110.3	L22 Q31 V32 Q67 V71	L22-L24 HydrophobicContact CD2-CD2 3.95Å; L22-L24 HydrophobicContact CG-CD2 4.38Å; L22-L24 PolarHBondContact O-N 3.3Å; L24-Q31 HydrophobicContact CD2-CB 4.35Å; L24-V32 HydrophobicContact CD1-CG2 4.38Å; L24-Q67 HydrophobicContact CD1-CG 4.19Å; L24-V71 HydrophobicContact CD1-CG2 4.23Å
25	T	83.7	Confident	91.5	Very high	135 Å²	135	71 Å²	71	83%	0.828	37%	0.368	S	S	*	.	S	Bend	trans	-91.4	-32.4	170	49.7	0	0	0	0	111.5	R23	R23-T25 PolarHBondContact O-N 2.97Å
26	T	84	Confident	91.5	Very high	99 Å²	99	70.6 Å²	70.6	61%	0.607	37%	0.366	S	S	*	.	S	Bend	trans	-128.3	143.3	171.1	52.8	0	0	0	0	108.8
27	V	83.8	Confident	91.6	Very high	64 Å²	64	64.9 Å²	64.9	39%	0.388	34%	0.339	S	S	.	.			trans	-90	110.8	178.1	-178.2	0	0	0	0	109	I10 V32 V71	I10-V27 HydrophobicContact CD1-CB 3.76Å; I10-V27 HydrophobicContact CD1-CG1 3.4Å; I10-V27 VanDerWaalsContact CD1-CG1 3.4Å; I10-V27 HydrophobicContact CD1-CG2 4.5Å; I10-V27 HydrophobicContact CG1-CG1 4.5Å; I10-V27 HydrophobicContact CG2-CG1 3.99Å; V27-V32 HydrophobicContact CG1-CG2 4.22Å; V27-V71 HydrophobicContact CB-CG1 4.29Å; V27-V71 HydrophobicContact CG1-CG1 3.3Å; V27-V71 HydrophobicContact CG2-CG1 3.98Å; V27-V71 HydrophobicContact CG2-CG2 4.47Å
28	N	89.2	Confident	91.7	Very high	76 Å²	76	62.9 Å²	62.9	41%	0.406	33%	0.327	S	S	.	.			trans	-106.1	125.2	168.6	-171	-23.8	0	0	0	109.7	S30 Q31	N28-S30 VanDerWaalsContact CG-OG 3.26Å; N28-S30 PolarHBondContact ND2-OG 3.05Å; N28-S30 PolarHBondContact O-N 2.75Å; N28-S30 VanDerWaalsContact O-N 3.09Å; N28-S30 PolarHBondContact OD1-N 3.02Å; N28-S30 VanDerWaalsContact OD1-N 3.12Å; N28-S30 PolarHBondContact OD1-OG 3.34Å; N28-S30 VanDerWaalsContact OD1-OG 3.06Å; N28-Q31 HydrophobicContact CB-CG 4.18Å; N28-Q31 WeakPolarHBondContact O-CB 3.47Å; N28-Q31 PolarHBondContact O-N 3.24Å
29	P	91.1	Very high	91.9	Very high	50 Å²	50	62.9 Å²	62.9	33%	0.325	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-47.6	-36.7	175.1	-30	34.6	0	0	0	114.3	I10 G12 T13 Q31 V32	I10-P29 HydrophobicContact CG2-CG 4.09Å; G12-P29 WeakPolarHBondContact CA-O 3.31Å; T13-P29 HydrophobicContact CG2-CB 4.41Å; T13-P29 PolarHBondContact N-O 3.24Å; T13-P29 PolarHBondContact OG1-O 3.28Å; P29-Q31 PolarHBondContact O-N 3.4Å; P29-V32 PolarHBondContact O-N 3.46Å; P29-V32 VanDerWaalsContact O-N 3.12Å; P29-V32 VanDerWaalsContact O-O 3.04Å
30	S	93.3	Very high	92.1	Very high	64 Å²	64	67.4 Å²	67.4	45%	0.448	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-67.3	-17.5	180	67.8	0	0	0	0	114.2	T13 C14 N28	T13-S30 WeakPolarHBondContact OG1-CA 3.05Å; T13-S30 PolarHBondContact OG1-N 3.41Å; C14-S30 WeakPolarHBondContact CB-O 3.47Å; N28-S30 VanDerWaalsContact CG-OG 3.26Å; N28-S30 PolarHBondContact ND2-OG 3.05Å; N28-S30 PolarHBondContact O-N 2.75Å; N28-S30 VanDerWaalsContact O-N 3.09Å; N28-S30 PolarHBondContact OD1-N 3.02Å; N28-S30 VanDerWaalsContact OD1-N 3.12Å; N28-S30 PolarHBondContact OD1-OG 3.34Å; N28-S30 VanDerWaalsContact OD1-OG 3.06Å
31	Q	92.7	Very high	92.4	Very high	71 Å²	71	66.2 Å²	66.2	33%	0.332	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-96.3	-2.5	177.4	-63.5	-179.2	-53.8	0	0	112.7	K19 L24 N28 P29	K19-Q31 PolarHBondContact NZ-O 3.33Å; L24-Q31 HydrophobicContact CD2-CB 4.35Å; N28-Q31 HydrophobicContact CB-CG 4.18Å; N28-Q31 WeakPolarHBondContact O-CB 3.47Å; N28-Q31 PolarHBondContact O-N 3.24Å; P29-Q31 PolarHBondContact O-N 3.4Å
32	V	95	Very high	92.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-117.7	131.4	-175.3	-179.9	0	0	0	0	108.8	G12 T13 C14 L24 V27 P29 D68 V71 Q72	G12-V32 CarbonylContact C-O 3.22Å; G12-V32 VanDerWaalsContact C-O 3.22Å; G12-V32 WeakPolarHBondContact CA-O 3.48Å; T13-V32 PolarHBondContact N-O 3.38Å; C14-V32 VanDerWaalsContact CB-C 3.44Å; C14-V32 WeakPolarHBondContact CB-O 3.32Å; C14-V32 PolarHBondContact N-O 3.03Å; L24-V32 HydrophobicContact CD1-CG2 4.38Å; V27-V32 HydrophobicContact CG1-CG2 4.22Å; P29-V32 PolarHBondContact O-N 3.46Å; P29-V32 VanDerWaalsContact O-N 3.12Å; P29-V32 VanDerWaalsContact O-O 3.04Å; V32-D68 HydrophobicContact CG1-CB 3.96Å; V32-V71 HydrophobicContact CG1-CG1 4.43Å; V32-V71 HydrophobicContact CG2-CG1 3.97Å; V32-Q72 HydrophobicContact CG1-CG 3.63Å
33	R	96.7	Very high	93.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.309	C	S	.	.			trans	-86.1	133.2	-177.6	-64.6	166.3	-65	-177.1	-6.8	110.7	C14 E16 V17 V37 L38 S41 S64 D68 Q72	C14-R33 HydrophobicContact CB-CB 4.44Å; C14-R33 HydrophobicContact CB-CG 3.75Å; C14-R33 WeakPolarHBondContact O-CA 3.15Å; E16-R33 WeakPolarHBondContact O-CD 3.46Å; V17-R33 PolarHBondContact O-NH1 3.27Å; V17-R33 VanDerWaalsContact O-NH1 3.09Å; R33-V37 HydrophobicContact CB-CB 4.04Å; R33-V37 HydrophobicContact CB-CG1 3.87Å; R33-V37 HydrophobicContact CG-CG1 3.89Å; R33-L38 HydrophobicContact CB-CD2 3.77Å; R33-L38 HydrophobicContact CB-CG 3.94Å; R33-L38 WeakPolarHBondContact O-CD1 3.36Å; R33-S41 PolarHBondContact NH1-OG 3.22Å; R33-S64 PolarHBondContact NH2-O 2.98Å; R33-S64 PolarHBondContact NH2-OG 3.08Å; R33-D68 VanDerWaalsContact CB-OD2 3.29Å; R33-D68 WeakPolarHBondContact CB-OD2 3.38Å; R33-D68 WeakPolarHBondContact CG-OD2 2.94Å; R33-D68 IonicContact CZ-OD2 3.65Å; R33-D68 PolarHBondContact N-OD2 3.38Å; R33-D68 IonicContact NE-OD2 3.68Å; R33-D68 PolarHBondContact NE-OD2 3.17Å; R33-D68 IonicContact NH2-OD2 2.8Å; R33-Q72 PolarHBondContact O-NE2 3.41Å
34	P	96.7	Very high	93.7	Very high	12 Å²	12	51.7 Å²	51.7	8%	0.078	28%	0.282	C	S	.	.			trans	-66.1	159.9	171.6	27.7	-31.4	0	0	0	111.3	G12 C14 H36 V37 L38	G12-P34 WeakPolarHBondContact O-CB 3.46Å; G12-P34 WeakPolarHBondContact O-CD 3.38Å; C14-P34 WeakPolarHBondContact O-CD 3.49Å; P34-H36 VanDerWaalsContact C-N 3.3Å; P34-H36 WeakPolarHBondContact CG-CE1 3.43Å; P34-H36 PolarHBondContact O-N 2.81Å; P34-H36 VanDerWaalsContact O-N 3.14Å; P34-V37 HydrophobicContact CG-CB 4.28Å; P34-V37 HydrophobicContact CG-CG2 3.72Å; P34-V37 WeakPolarHBondContact O-CB 3.48Å; P34-V37 PolarHBondContact O-N 3.08Å; P34-L38 PolarHBondContact O-N 3.33Å
35	E	97.1	Very high	94.4	Very high	50 Å²	50	50 Å²	50	23%	0.234	27%	0.274	C	S	.	.	H	α-helix	trans	-53.6	-40.3	-171.9	-163	-173.6	119.1	0	0	114.1	V37 L38 K39 I74 N76 F78	E35-V37 VanDerWaalsContact C-N 3.3Å; E35-V37 PolarHBondContact O-N 3.5Å; E35-L38 WeakPolarHBondContact O-CB 3.41Å; E35-L38 PolarHBondContact O-N 3.37Å; E35-L38 VanDerWaalsContact O-N 3.14Å; E35-K39 WeakPolarHBondContact O-CG 3.41Å; E35-K39 PolarHBondContact O-N 3.03Å; E35-K39 VanDerWaalsContact OE1-CE 3.26Å; E35-K39 WeakPolarHBondContact OE1-CE 3.4Å; E35-K39 IonicContact OE1-NZ 2.7Å; E35-K39 PolarHBondContact OE1-NZ 3.01Å; E35-I74 HydrophobicContact CB-CD1 4.15Å; E35-I74 WeakPolarHBondContact OE2-CG2 3.3Å; E35-N76 PolarHBondContact OE2-ND2 3.38Å; E35-F78 HydrophobicContact CG-CD1 3.81Å; E35-F78 HydrophobicContact CG-CE1 4.17Å
36	H	97.1	Very high	95	Very high	102 Å²	102	46.5 Å²	46.5	47%	0.472	25%	0.247	S	C	.	.	H	α-helix	trans	-66.9	-28.9	179.2	72.6	-86.8	0	0	0	113.2	P34 R40	P34-H36 VanDerWaalsContact C-N 3.3Å; P34-H36 WeakPolarHBondContact CG-CE1 3.43Å; P34-H36 PolarHBondContact O-N 2.81Å; P34-H36 VanDerWaalsContact O-N 3.14Å; H36-R40 PolarHBondContact O-NE 3.33Å
37	V	98	Very high	95.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-74.9	-41.3	170.8	177.9	0	0	0	0	109.6	Q15 V17 R33 P34 E35 K39 R40 S41	Q15-V37 VanDerWaalsContact OE1-CG2 3.3Å; V17-V37 HydrophobicContact CG2-CG1 4.45Å; R33-V37 HydrophobicContact CB-CB 4.04Å; R33-V37 HydrophobicContact CB-CG1 3.87Å; R33-V37 HydrophobicContact CG-CG1 3.89Å; P34-V37 HydrophobicContact CG-CB 4.28Å; P34-V37 HydrophobicContact CG-CG2 3.72Å; P34-V37 WeakPolarHBondContact O-CB 3.48Å; P34-V37 PolarHBondContact O-N 3.08Å; E35-V37 VanDerWaalsContact C-N 3.3Å; E35-V37 PolarHBondContact O-N 3.5Å; V37-K39 VanDerWaalsContact C-N 3.3Å; V37-K39 PolarHBondContact O-N 3.41Å; V37-R40 WeakPolarHBondContact O-CB 3.35Å; V37-R40 PolarHBondContact O-N 3.16Å; V37-R40 VanDerWaalsContact O-N 3.15Å; V37-S41 PolarHBondContact O-N 3.37Å
38	L	98.3	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-38.7	177.2	-66.5	171.5	0	0	0	112.2	R33 P34 E35 S41 L42 I65 D68 L69 F78	R33-L38 HydrophobicContact CB-CD2 3.77Å; R33-L38 HydrophobicContact CB-CG 3.94Å; R33-L38 WeakPolarHBondContact O-CD1 3.36Å; P34-L38 PolarHBondContact O-N 3.33Å; E35-L38 WeakPolarHBondContact O-CB 3.41Å; E35-L38 PolarHBondContact O-N 3.37Å; E35-L38 VanDerWaalsContact O-N 3.14Å; L38-S41 WeakPolarHBondContact O-CB 3.49Å; L38-S41 PolarHBondContact O-N 3.1Å; L38-L42 PolarHBondContact O-N 2.94Å; L38-I65 HydrophobicContact CD2-CB 4.3Å; L38-I65 HydrophobicContact CD2-CG1 4.3Å; L38-I65 HydrophobicContact CD2-CG2 4Å; L38-D68 HydrophobicContact CD1-CB 3.97Å; L38-D68 HydrophobicContact CD2-CB 3.71Å; L38-D68 HydrophobicContact CG-CB 4.42Å; L38-L69 HydrophobicContact CD1-CD2 3.66Å; L38-L69 HydrophobicContact CD1-CG 3.92Å; L38-F78 HydrophobicContact CB-CE1 3.73Å; L38-F78 HydrophobicContact CB-CZ 3.92Å
39	K	98.3	Very high	96.5	Very high	101 Å²	101	43 Å²	43	44%	0.439	22%	0.215	S	C	.	.	H	α-helix	trans	-58.7	-45.9	173.3	-78.8	170.8	167.8	162.9	0	112.1	E35 V37 L42 A43 F78	E35-K39 WeakPolarHBondContact O-CG 3.41Å; E35-K39 PolarHBondContact O-N 3.03Å; E35-K39 VanDerWaalsContact OE1-CE 3.26Å; E35-K39 WeakPolarHBondContact OE1-CE 3.4Å; E35-K39 IonicContact OE1-NZ 2.7Å; E35-K39 PolarHBondContact OE1-NZ 3.01Å; V37-K39 VanDerWaalsContact C-N 3.3Å; V37-K39 PolarHBondContact O-N 3.41Å; K39-L42 PolarHBondContact O-N 3.31Å; K39-A43 PolarHBondContact O-N 2.9Å; K39-A43 VanDerWaalsContact O-N 3.13Å; K39-F78 HydrophobicContact CB-CE2 4.22Å; K39-F78 HydrophobicContact CB-CZ 4.36Å; K39-F78 HydrophobicContact CG-CD1 4.29Å; K39-F78 HydrophobicContact CG-CD2 3.67Å; K39-F78 HydrophobicContact CG-CE1 4.14Å; K39-F78 HydrophobicContact CG-CE2 3.5Å; K39-F78 VanDerWaalsContact CG-CE2 3.5Å; K39-F78 HydrophobicContact CG-CG 4.07Å; K39-F78 HydrophobicContact CG-CZ 3.76Å
40	R	98.1	Very high	96.7	Very high	119 Å²	119	48.7 Å²	48.7	45%	0.449	24%	0.235	S	C	.	.	H	α-helix	trans	-63.2	-41.5	173.9	-67.9	-178.1	-74.4	173.1	-0.3	111.6	V17 H36 V37 A43 L44	V17-R40 HydrophobicContact CG1-CB 4.2Å; V17-R40 HydrophobicContact CG2-CB 4.34Å; H36-R40 PolarHBondContact O-NE 3.33Å; V37-R40 WeakPolarHBondContact O-CB 3.35Å; V37-R40 PolarHBondContact O-N 3.16Å; V37-R40 VanDerWaalsContact O-N 3.15Å; R40-A43 PolarHBondContact O-N 2.97Å; R40-L44 PolarHBondContact O-N 3.29Å
41	S	97.9	Very high	96.7	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.014	24%	0.24	C	C	.	.	H	α-helix	trans	-62.8	-45.3	178	-167.1	0	0	0	0	112.1	V17 R33 V37 L38 A43 L44 V45	V17-S41 VanDerWaalsContact O-CB 3.25Å; V17-S41 WeakPolarHBondContact O-CB 3.4Å; V17-S41 PolarHBondContact O-OG 2.88Å; R33-S41 PolarHBondContact NH1-OG 3.22Å; V37-S41 PolarHBondContact O-N 3.37Å; L38-S41 WeakPolarHBondContact O-CB 3.49Å; L38-S41 PolarHBondContact O-N 3.1Å; S41-A43 VanDerWaalsContact C-N 3.35Å; S41-A43 PolarHBondContact O-N 3.3Å; S41-L44 PolarHBondContact O-N 3.38Å; S41-V45 VanDerWaalsContact O-CG2 3.28Å; S41-V45 WeakPolarHBondContact O-CG2 3.28Å; S41-V45 PolarHBondContact O-N 3.37Å
42	L	98.4	Very high	96.7	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-42.6	176.9	-177.5	66.2	0	0	0	111.5	L38 K39 L44 V45 K46 L62 I65 F78 E81 V82 T85	L38-L42 PolarHBondContact O-N 2.94Å; K39-L42 PolarHBondContact O-N 3.31Å; L42-L44 VanDerWaalsContact C-N 3.34Å; L42-L44 PolarHBondContact O-N 3.28Å; L42-V45 PolarHBondContact O-N 3.46Å; L42-K46 HydrophobicContact CD1-CG 4.5Å; L42-K46 HydrophobicContact CG-CD 4.28Å; L42-K46 WeakPolarHBondContact O-CB 3.38Å; L42-K46 WeakPolarHBondContact O-CG 3.36Å; L42-K46 PolarHBondContact O-N 3.4Å; L42-L62 HydrophobicContact CD1-CD2 3.84Å; L42-I65 HydrophobicContact CB-CD1 4.35Å; L42-F78 HydrophobicContact CB-CE2 4.18Å; L42-F78 HydrophobicContact CB-CZ 4.33Å; L42-F78 HydrophobicContact CD2-CD2 4.38Å; L42-F78 HydrophobicContact CD2-CE2 3.64Å; L42-F78 HydrophobicContact CD2-CZ 4.37Å; L42-E81 HydrophobicContact CD2-CG 4.07Å; L42-V82 HydrophobicContact CD1-CG2 4.18Å; L42-V82 HydrophobicContact CD2-CG2 3.74Å; L42-V82 HydrophobicContact CG-CG2 4.38Å; L42-T85 HydrophobicContact CD1-CG2 4.28Å
43	A	98	Very high	96.5	Very high	57 Å²	57	56.4 Å²	56.4	47%	0.471	27%	0.274	S	S	.	.	H	α-helix	trans	-59.4	-45.8	177.5	0	0	0	0	0	111.6	K39 R40 S41 K46 Q47	K39-A43 PolarHBondContact O-N 2.9Å; K39-A43 VanDerWaalsContact O-N 3.13Å; R40-A43 PolarHBondContact O-N 2.97Å; S41-A43 VanDerWaalsContact C-N 3.35Å; S41-A43 PolarHBondContact O-N 3.3Å; A43-K46 PolarHBondContact O-N 3.05Å; A43-Q47 PolarHBondContact O-N 3.1Å
44	L	97	Very high	96.3	Very high	43 Å²	43	59.6 Å²	59.6	23%	0.225	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-45.3	176.5	-178.6	62.9	0	0	0	112.1	V17 E18 R40 S41 L42 K46 Q47 Q48	V17-L44 HydrophobicContact CG1-CB 4.48Å; V17-L44 HydrophobicContact CG1-CD2 3.94Å; E18-L44 HydrophobicContact CG-CD2 3.2Å; E18-L44 HydrophobicContact CG-CG 4.48Å; R40-L44 PolarHBondContact O-N 3.29Å; S41-L44 PolarHBondContact O-N 3.38Å; L42-L44 VanDerWaalsContact C-N 3.34Å; L42-L44 PolarHBondContact O-N 3.28Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 3.46Å; L44-Q47 WeakPolarHBondContact O-CB 3.32Å; L44-Q47 PolarHBondContact O-N 3.33Å; L44-Q47 VanDerWaalsContact O-N 3.1Å; L44-Q48 HydrophobicContact CD1-CG 4.43Å; L44-Q48 HydrophobicContact CG-CG 4.46Å; L44-Q48 WeakPolarHBondContact O-CG 3.28Å; L44-Q48 PolarHBondContact O-N 3.35Å
45	V	97.3	Very high	96.3	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.012	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-40.7	177.5	170.3	0	0	0	0	111.6	S41 L42 Q47 Q48 W49 V58 R61 L62 I65	S41-V45 VanDerWaalsContact O-CG2 3.28Å; S41-V45 WeakPolarHBondContact O-CG2 3.28Å; S41-V45 PolarHBondContact O-N 3.37Å; L42-V45 PolarHBondContact O-N 3.46Å; V45-Q47 VanDerWaalsContact C-N 3.3Å; V45-Q47 PolarHBondContact O-N 2.88Å; V45-Q48 PolarHBondContact O-N 3.05Å; V45-W49 WeakPolarHBondContact O-CB 3.38Å; V45-W49 PolarHBondContact O-N 3.32Å; V45-V58 HydrophobicContact CG1-CB 4.48Å; V45-V58 HydrophobicContact CG1-CG1 3.82Å; V45-V58 HydrophobicContact CG1-CG2 4.41Å; V45-R61 HydrophobicContact CG2-CB 3.5Å; V45-R61 HydrophobicContact CG2-CG 4.16Å; V45-L62 HydrophobicContact CG1-CD1 4.29Å; V45-L62 HydrophobicContact CG1-CD2 3.85Å; V45-L62 HydrophobicContact CG1-CG 3.81Å; V45-I65 HydrophobicContact CG2-CD1 4.21Å
46	K	97.2	Very high	96.2	Very high	61 Å²	61	63.1 Å²	63.1	27%	0.265	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-36.9	174.5	-76	178.6	175.2	-172.8	0	111.9	L42 A43 L44 K50 E81 T85	L42-K46 HydrophobicContact CD1-CG 4.5Å; L42-K46 HydrophobicContact CG-CD 4.28Å; L42-K46 WeakPolarHBondContact O-CB 3.38Å; L42-K46 WeakPolarHBondContact O-CG 3.36Å; L42-K46 PolarHBondContact O-N 3.4Å; A43-K46 PolarHBondContact O-N 3.05Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 3.46Å; K46-K50 WeakPolarHBondContact O-CG 3.28Å; K46-K50 PolarHBondContact O-N 2.87Å; K46-E81 IonicContact NZ-OE1 3.57Å; K46-E81 PolarHBondContact NZ-OE1 3.4Å; K46-T85 WeakPolarHBondContact CE-OG1 3.36Å; K46-T85 HydrophobicContact CG-CG2 4.04Å; K46-T85 PolarHBondContact NZ-OG1 2.92Å
47	Q	96.4	Very high	96.1	Very high	99 Å²	99	62.1 Å²	62.1	46%	0.463	31%	0.312	S	S	.	.	H	α-helix	trans	-68	-50.2	174.4	179.8	178.4	-3.4	0	0	111.3	A43 L44 V45 W49 K50 E51	A43-Q47 PolarHBondContact O-N 3.1Å; L44-Q47 WeakPolarHBondContact O-CB 3.32Å; L44-Q47 PolarHBondContact O-N 3.33Å; L44-Q47 VanDerWaalsContact O-N 3.1Å; V45-Q47 VanDerWaalsContact C-N 3.3Å; V45-Q47 PolarHBondContact O-N 2.88Å; Q47-W49 VanDerWaalsContact C-N 3.25Å; Q47-W49 PolarHBondContact O-N 3.16Å; Q47-K50 WeakPolarHBondContact O-CB 3.42Å; Q47-K50 PolarHBondContact O-N 3.4Å; Q47-E51 HydrophobicContact CG-CG 4.46Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.35Å; Q47-E51 PolarHBondContact NE2-OE1 3.47Å; Q47-E51 PolarHBondContact O-N 3.36Å
48	Q	94.7	Very high	96	Very high	34 Å²	34	62.2 Å²	62.2	16%	0.159	31%	0.313	C	S	.	.	H	α-helix	trans	-56.3	-39.6	177.2	-73.3	175	-26.1	0	0	112.2	E18 L44 V45 E51 N52	E18-Q48 PolarHBondContact OE2-NE2 3.08Å; L44-Q48 HydrophobicContact CD1-CG 4.43Å; L44-Q48 HydrophobicContact CG-CG 4.46Å; L44-Q48 WeakPolarHBondContact O-CG 3.28Å; L44-Q48 PolarHBondContact O-N 3.35Å; V45-Q48 PolarHBondContact O-N 3.05Å; Q48-E51 PolarHBondContact O-N 2.82Å; Q48-N52 PolarHBondContact O-N 3.06Å
49	W	96.9	Very high	96	Very high	32 Å²	32	62.6 Å²	62.6	12%	0.121	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-43.2	174.7	178.9	-113.4	0	0	0	112.5	V45 Q47 E51 C53 Y55 V58 I89 K93	V45-W49 WeakPolarHBondContact O-CB 3.38Å; V45-W49 PolarHBondContact O-N 3.32Å; Q47-W49 VanDerWaalsContact C-N 3.25Å; Q47-W49 PolarHBondContact O-N 3.16Å; W49-E51 VanDerWaalsContact C-N 3.33Å; W49-C53 WeakPolarHBondContact CZ3-O 3.27Å; W49-C53 WeakPolarHBondContact O-CA 3.35Å; W49-C53 PolarHBondContact O-N 3.26Å; W49-C53 VanDerWaalsContact O-N 3.12Å; W49-C53 PolarHBondContact O-SG 3.39Å; W49-Y55 HydrophobicContact CZ3-CD2 4.46Å; W49-V58 HydrophobicContact CB-CG1 4.47Å; W49-V58 HydrophobicContact CB-CG2 4.14Å; W49-V58 HydrophobicContact CE3-CB 4.23Å; W49-V58 HydrophobicContact CE3-CG1 4.2Å; W49-V58 HydrophobicContact CE3-CG2 4.06Å; W49-I89 HydrophobicContact CB-CD1 4.36Å; W49-I89 HydrophobicContact CD2-CD1 4.1Å; W49-I89 HydrophobicContact CD2-CG1 4.22Å; W49-I89 HydrophobicContact CD2-CG2 4.2Å; W49-I89 HydrophobicContact CE3-CG2 4.15Å; W49-I89 HydrophobicContact CG-CD1 3.88Å; W49-I89 HydrophobicContact CG-CG1 4.32Å; W49-I89 HydrophobicContact CH2-CG2 3.7Å; W49-I89 HydrophobicContact CZ2-CB 4.48Å; W49-I89 HydrophobicContact CZ2-CG1 4.31Å; W49-I89 HydrophobicContact CZ2-CG2 3.85Å; W49-I89 HydrophobicContact CZ3-CG2 3.91Å; W49-K93 HydrophobicContact CH2-CD 4.11Å; W49-K93 HydrophobicContact CH2-CG 3.74Å
50	K	95.2	Very high	95.9	Very high	171 Å²	171	60.5 Å²	60.5	74%	0.743	31%	0.309	S	S	*	.	H	α-helix	trans	-65.6	-36	177.8	-72	174.8	-178.8	-176.1	0	112.4	K46 Q47	K46-K50 WeakPolarHBondContact O-CG 3.28Å; K46-K50 PolarHBondContact O-N 2.87Å; Q47-K50 WeakPolarHBondContact O-CB 3.42Å; Q47-K50 PolarHBondContact O-N 3.4Å
51	E	94.5	Very high	95.8	Very high	117 Å²	117	57.2 Å²	57.2	55%	0.547	30%	0.297	S	S	.	.	H	α-helix	trans	-81.5	-48.3	-175.4	-70.1	170.4	-178.5	0	0	112.4	Q47 Q48 W49	Q47-E51 HydrophobicContact CG-CG 4.46Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.35Å; Q47-E51 PolarHBondContact NE2-OE1 3.47Å; Q47-E51 PolarHBondContact O-N 3.36Å; Q48-E51 PolarHBondContact O-N 2.82Å; W49-E51 VanDerWaalsContact C-N 3.33Å
52	N	91.2	Very high	95.8	Very high	116 Å²	116	57.1 Å²	57.1	62%	0.62	30%	0.296	S	S	*	.	H	α-helix	trans	-113.5	-18.6	-166.6	-60.6	-42.2	0	0	0	114.2	Q48 D54	Q48-N52 PolarHBondContact O-N 3.06Å; N52-D54 PolarHBondContact O-N 2.97Å
53	C	90.6	Very high	95.8	Very high	63 Å²	63	60 Å²	60	43%	0.426	31%	0.308	S	S	.	.			trans	51	22.5	-174.1	-62.2	0	0	0	0	115	W49 Y55 K93	W49-C53 WeakPolarHBondContact CZ3-O 3.27Å; W49-C53 WeakPolarHBondContact O-CA 3.35Å; W49-C53 PolarHBondContact O-N 3.26Å; W49-C53 VanDerWaalsContact O-N 3.12Å; W49-C53 PolarHBondContact O-SG 3.39Å; C53-Y55 PolarHBondContact O-N 2.87Å; C53-Y55 VanDerWaalsContact O-N 3.14Å; C53-K93 PolarHBondContact O-NZ 3.06Å
54	D	94.4	Very high	95.8	Very high	68 Å²	68	57.2 Å²	57.2	36%	0.364	29%	0.286	S	S	.	.			trans	-75.3	101.8	178.7	-172.2	-27	0	0	0	109.8	N52 S56 I57 V58	N52-D54 PolarHBondContact O-N 2.97Å; D54-S56 VanDerWaalsContact C-N 3.35Å; D54-S56 PolarHBondContact O-N 3.37Å; D54-S56 WeakPolarHBondContact OD1-CB 3.33Å; D54-S56 PolarHBondContact OD1-N 3.41Å; D54-I57 HydrophobicContact CB-CB 4.49Å; D54-I57 HydrophobicContact CB-CD1 4.42Å; D54-I57 PolarHBondContact OD1-N 3.47Å; D54-I57 VanDerWaalsContact OD2-CD1 3.24Å; D54-I57 WeakPolarHBondContact OD2-CD1 3.43Å; D54-V58 WeakPolarHBondContact O-CB 3.33Å; D54-V58 VanDerWaalsContact O-CG2 3.3Å; D54-V58 WeakPolarHBondContact O-CG2 3.49Å; D54-V58 PolarHBondContact O-N 3.11Å; D54-V58 VanDerWaalsContact O-N 3.17Å
55	Y	95.6	Very high	95.8	Very high	44 Å²	44	55.2 Å²	55.2	17%	0.173	28%	0.275	C	S	.	.	H	α-helix	trans	-67.3	-34.6	-178.1	-177.7	-118.9	0	0	0	112.9	W49 C53 C59 I89 K93 D95	W49-Y55 HydrophobicContact CZ3-CD2 4.46Å; C53-Y55 PolarHBondContact O-N 2.87Å; C53-Y55 VanDerWaalsContact O-N 3.14Å; Y55-C59 HydrophobicContact CD2-CB 4.32Å; Y55-C59 HydrophobicContact CE1-CB 4.33Å; Y55-C59 HydrophobicContact CE2-CB 3.93Å; Y55-C59 WeakPolarHBondContact O-CB 3.48Å; Y55-C59 PolarHBondContact O-N 3.33Å; Y55-I89 HydrophobicContact CD2-CG2 3.8Å; Y55-I89 HydrophobicContact CE2-CG2 3.9Å; Y55-K93 HydrophobicContact CD1-CB 4.08Å; Y55-K93 HydrophobicContact CD1-CG 4.36Å; Y55-K93 HydrophobicContact CD2-CB 3.88Å; Y55-K93 HydrophobicContact CD2-CG 3.65Å; Y55-K93 HydrophobicContact CE1-CB 4.31Å; Y55-K93 HydrophobicContact CE2-CB 4.12Å; Y55-K93 HydrophobicContact CE2-CG 4.32Å; Y55-K93 HydrophobicContact CG-CB 3.88Å; Y55-K93 HydrophobicContact CG-CD 4.38Å; Y55-K93 HydrophobicContact CG-CG 3.68Å; Y55-D95 HydrophobicContact CE1-CB 4.04Å; Y55-D95 WeakPolarHBondContact CE1-OD2 3.49Å; Y55-D95 WeakPolarHBondContact OH-CB 3.44Å; Y55-D95 PolarHBondContact OH-OD2 2.98Å
56	S	95.6	Very high	95.9	Very high	92 Å²	92	56 Å²	56	64%	0.643	28%	0.278	S	S	*	.	H	α-helix	trans	-64.1	-50.2	-175.6	-174.2	0	0	0	0	110.3	D54 D60	D54-S56 VanDerWaalsContact C-N 3.35Å; D54-S56 PolarHBondContact O-N 3.37Å; D54-S56 WeakPolarHBondContact OD1-CB 3.33Å; D54-S56 PolarHBondContact OD1-N 3.41Å; S56-D60 WeakPolarHBondContact O-CB 3.45Å; S56-D60 PolarHBondContact O-N 3.08Å; S56-D60 VanDerWaalsContact O-N 3.12Å
57	I	94.8	Very high	95.8	Very high	80 Å²	80	54.3 Å²	54.3	41%	0.41	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-49.6	178.6	-62.3	177.3	0	0	0	110.2	D54 C59 D60 R61	D54-I57 HydrophobicContact CB-CB 4.49Å; D54-I57 HydrophobicContact CB-CD1 4.42Å; D54-I57 PolarHBondContact OD1-N 3.47Å; D54-I57 VanDerWaalsContact OD2-CD1 3.24Å; D54-I57 WeakPolarHBondContact OD2-CD1 3.43Å; I57-C59 PolarHBondContact O-N 3.07Å; I57-D60 PolarHBondContact O-N 3.33Å; I57-R61 HydrophobicContact CG2-CG 4.35Å; I57-R61 WeakPolarHBondContact O-CG 3.44Å; I57-R61 PolarHBondContact O-N 3.06Å
58	V	96.3	Very high	95.9	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-41.3	-176.1	166.9	0	0	0	0	111.9	V45 W49 D54 R61 L62 I89	V45-V58 HydrophobicContact CG1-CB 4.48Å; V45-V58 HydrophobicContact CG1-CG1 3.82Å; V45-V58 HydrophobicContact CG1-CG2 4.41Å; W49-V58 HydrophobicContact CB-CG1 4.47Å; W49-V58 HydrophobicContact CB-CG2 4.14Å; W49-V58 HydrophobicContact CE3-CB 4.23Å; W49-V58 HydrophobicContact CE3-CG1 4.2Å; W49-V58 HydrophobicContact CE3-CG2 4.06Å; D54-V58 WeakPolarHBondContact O-CB 3.33Å; D54-V58 VanDerWaalsContact O-CG2 3.3Å; D54-V58 WeakPolarHBondContact O-CG2 3.49Å; D54-V58 PolarHBondContact O-N 3.11Å; D54-V58 VanDerWaalsContact O-N 3.17Å; V58-R61 PolarHBondContact O-N 2.94Å; V58-L62 HydrophobicContact CG1-CD1 3.62Å; V58-L62 HydrophobicContact CG1-CG 4.32Å; V58-L62 WeakPolarHBondContact O-CB 3.47Å; V58-L62 VanDerWaalsContact O-CG 3.24Å; V58-L62 WeakPolarHBondContact O-CG 3.33Å; V58-L62 PolarHBondContact O-N 3.44Å; V58-I89 HydrophobicContact CG1-CD1 3.83Å; V58-I89 HydrophobicContact CG1-CG2 4.19Å
59	C	97	Very high	96	Very high	9 Å²	9	48 Å²	48	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-47.4	175.7	-176	0	0	0	0	111	Y55 I57 R61 L62 K63	Y55-C59 HydrophobicContact CD2-CB 4.32Å; Y55-C59 HydrophobicContact CE1-CB 4.33Å; Y55-C59 HydrophobicContact CE2-CB 3.93Å; Y55-C59 WeakPolarHBondContact O-CB 3.48Å; Y55-C59 PolarHBondContact O-N 3.33Å; I57-C59 PolarHBondContact O-N 3.07Å; C59-R61 PolarHBondContact O-N 3.5Å; C59-L62 PolarHBondContact O-N 3.11Å; C59-K63 VanDerWaalsContact O-CG 3.32Å; C59-K63 WeakPolarHBondContact O-CG 3.35Å; C59-K63 PolarHBondContact O-N 3.37Å; C59-K63 VanDerWaalsContact SG-CE 3.52Å
60	D	96.9	Very high	95.8	Very high	57 Å²	57	51.7 Å²	51.7	31%	0.305	26%	0.262	S	S	.	.	H	α-helix	trans	-56.7	-49.2	176.1	-179.8	75.5	0	0	0	112.1	G20 Y21 S56 I57 L62 K63 S64	G20-D60 WeakPolarHBondContact CA-OD2 3.45Å; Y21-D60 VanDerWaalsContact CB-OD1 3.25Å; Y21-D60 WeakPolarHBondContact CB-OD1 3.46Å; Y21-D60 PolarHBondContact N-OD1 3.02Å; Y21-D60 VanDerWaalsContact N-OD1 3.17Å; Y21-D60 PolarHBondContact N-OD2 2.86Å; S56-D60 WeakPolarHBondContact O-CB 3.45Å; S56-D60 PolarHBondContact O-N 3.08Å; S56-D60 VanDerWaalsContact O-N 3.12Å; I57-D60 PolarHBondContact O-N 3.33Å; D60-L62 PolarHBondContact O-N 3.12Å; D60-K63 WeakPolarHBondContact O-CB 3.35Å; D60-K63 PolarHBondContact O-N 3.22Å; D60-S64 PolarHBondContact O-N 2.97Å
61	R	96.9	Very high	95.8	Very high	50 Å²	50	45.2 Å²	45.2	19%	0.189	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-41.1	179.3	-61.1	-51	-176.3	167.1	4.5	112.3	E18 K19 V45 I57 V58 C59 S64 I65	E18-R61 PolarHBondContact O-NH1 2.84Å; K19-R61 VanDerWaalsContact O-CD 3.25Å; K19-R61 WeakPolarHBondContact O-CD 3.25Å; K19-R61 PolarHBondContact O-NH1 3.47Å; K19-R61 VanDerWaalsContact O-NH1 3.16Å; V45-R61 HydrophobicContact CG2-CB 3.5Å; V45-R61 HydrophobicContact CG2-CG 4.16Å; I57-R61 HydrophobicContact CG2-CG 4.35Å; I57-R61 WeakPolarHBondContact O-CG 3.44Å; I57-R61 PolarHBondContact O-N 3.06Å; V58-R61 PolarHBondContact O-N 2.94Å; C59-R61 PolarHBondContact O-N 3.5Å; R61-S64 WeakPolarHBondContact O-CB 3.23Å; R61-S64 PolarHBondContact O-N 3.03Å; R61-I65 WeakPolarHBondContact O-CG1 3.49Å; R61-I65 PolarHBondContact O-N 3.35Å
62	L	98.1	Very high	95.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68	-35.7	177.9	-69.5	166.5	0	0	0	112.3	L42 V45 V58 C59 D60 S64 I65 R66 T85 H86 I89	L42-L62 HydrophobicContact CD1-CD2 3.84Å; V45-L62 HydrophobicContact CG1-CD1 4.29Å; V45-L62 HydrophobicContact CG1-CD2 3.85Å; V45-L62 HydrophobicContact CG1-CG 3.81Å; V58-L62 HydrophobicContact CG1-CD1 3.62Å; V58-L62 HydrophobicContact CG1-CG 4.32Å; V58-L62 WeakPolarHBondContact O-CB 3.47Å; V58-L62 VanDerWaalsContact O-CG 3.24Å; V58-L62 WeakPolarHBondContact O-CG 3.33Å; V58-L62 PolarHBondContact O-N 3.44Å; C59-L62 PolarHBondContact O-N 3.11Å; D60-L62 PolarHBondContact O-N 3.12Å; L62-S64 VanDerWaalsContact C-N 3.33Å; L62-I65 HydrophobicContact CD2-CD1 4.5Å; L62-I65 PolarHBondContact O-N 3.05Å; L62-R66 WeakPolarHBondContact O-CB 3.19Å; L62-R66 VanDerWaalsContact O-CG 3.3Å; L62-R66 WeakPolarHBondContact O-CG 3.12Å; L62-R66 PolarHBondContact O-N 3.22Å; L62-T85 HydrophobicContact CD2-CG2 4.49Å; L62-H86 HydrophobicContact CB-CB 4.14Å; L62-H86 VanDerWaalsContact CB-ND1 3.33Å; L62-H86 WeakPolarHBondContact CB-ND1 3.42Å; L62-H86 HydrophobicContact CD1-CB 3.88Å; L62-H86 HydrophobicContact CG-CB 4.4Å; L62-I89 HydrophobicContact CD1-CD1 4Å
63	K	97.6	Very high	96	Very high	62 Å²	62	42 Å²	42	27%	0.27	21%	0.211	S	C	.	.	H	α-helix	trans	-60.2	-45.3	170.2	-74.2	178	176	174.6	0	110.9	Y21 C59 D60 I65 R66 Q67 E98	Y21-K63 HydrophobicContact CD2-CB 3.61Å; Y21-K63 HydrophobicContact CE2-CB 4.25Å; Y21-K63 HydrophobicContact CG-CB 3.86Å; C59-K63 VanDerWaalsContact O-CG 3.32Å; C59-K63 WeakPolarHBondContact O-CG 3.35Å; C59-K63 PolarHBondContact O-N 3.37Å; C59-K63 VanDerWaalsContact SG-CE 3.52Å; D60-K63 WeakPolarHBondContact O-CB 3.35Å; D60-K63 PolarHBondContact O-N 3.22Å; K63-I65 PolarHBondContact O-N 3.06Å; K63-R66 PolarHBondContact O-N 3.45Å; K63-Q67 WeakPolarHBondContact O-CB 3.34Å; K63-Q67 PolarHBondContact O-N 3.5Å; K63-E98 VanDerWaalsContact CE-OE1 3.32Å; K63-E98 WeakPolarHBondContact CE-OE1 3.18Å; K63-E98 WeakPolarHBondContact CE-OE2 3.14Å; K63-E98 IonicContact NZ-OE2 2.78Å; K63-E98 PolarHBondContact NZ-OE2 3.26Å
64	S	97.3	Very high	96.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.4	-44.1	176.4	-168.3	0	0	0	0	112.4	K19 G20 R33 D60 R61 L62 Q67 D68	K19-S64 WeakPolarHBondContact CE-OG 3.43Å; K19-S64 WeakPolarHBondContact O-CB 3.23Å; K19-S64 PolarHBondContact O-OG 3.29Å; G20-S64 VanDerWaalsContact O-CB 3.31Å; G20-S64 WeakPolarHBondContact O-CB 3.49Å; G20-S64 PolarHBondContact O-OG 3.18Å; R33-S64 PolarHBondContact NH2-O 2.98Å; R33-S64 PolarHBondContact NH2-OG 3.08Å; D60-S64 PolarHBondContact O-N 2.97Å; R61-S64 WeakPolarHBondContact O-CB 3.23Å; R61-S64 PolarHBondContact O-N 3.03Å; L62-S64 VanDerWaalsContact C-N 3.33Å; S64-Q67 PolarHBondContact O-N 3.25Å; S64-D68 PolarHBondContact O-N 3.41Å; S64-D68 VanDerWaalsContact O-N 3.16Å
65	I	98.2	Very high	96.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-47	177.7	-65.6	167.7	0	0	0	110.5	L38 L42 V45 R61 L62 K63 Q67 D68 L69 V82	L38-I65 HydrophobicContact CD2-CB 4.3Å; L38-I65 HydrophobicContact CD2-CG1 4.3Å; L38-I65 HydrophobicContact CD2-CG2 4Å; L42-I65 HydrophobicContact CB-CD1 4.35Å; V45-I65 HydrophobicContact CG2-CD1 4.21Å; R61-I65 WeakPolarHBondContact O-CG1 3.49Å; R61-I65 PolarHBondContact O-N 3.35Å; L62-I65 HydrophobicContact CD2-CD1 4.5Å; L62-I65 PolarHBondContact O-N 3.05Å; K63-I65 PolarHBondContact O-N 3.06Å; I65-Q67 VanDerWaalsContact C-N 3.32Å; I65-Q67 PolarHBondContact O-N 3.27Å; I65-D68 PolarHBondContact O-N 2.97Å; I65-L69 HydrophobicContact CG2-CD1 4.24Å; I65-L69 WeakPolarHBondContact O-CG 3.39Å; I65-L69 PolarHBondContact O-N 3.14Å; I65-L69 VanDerWaalsContact O-N 3.09Å; I65-V82 HydrophobicContact CB-CG1 4.38Å; I65-V82 HydrophobicContact CG2-CB 4.41Å; I65-V82 HydrophobicContact CG2-CG1 3.68Å; I65-V82 HydrophobicContact CG2-CG2 3.78Å
66	R	97.9	Very high	96.3	Very high	20 Å²	20	42.4 Å²	42.4	8%	0.075	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-39	179.2	-74.8	167.4	53.3	-158.7	-12	112.6	L62 K63 L69 M70 V82 Y83 H86 E98 C102	L62-R66 WeakPolarHBondContact O-CB 3.19Å; L62-R66 VanDerWaalsContact O-CG 3.3Å; L62-R66 WeakPolarHBondContact O-CG 3.12Å; L62-R66 PolarHBondContact O-N 3.22Å; K63-R66 PolarHBondContact O-N 3.45Å; R66-L69 PolarHBondContact O-N 3.07Å; R66-M70 WeakPolarHBondContact O-CB 3.43Å; R66-M70 PolarHBondContact O-N 3.44Å; R66-V82 HydrophobicContact CG-CG1 3.63Å; R66-Y83 HydrophobicContact CG-CD1 4.3Å; R66-Y83 HydrophobicContact CG-CE1 4.06Å; R66-Y83 HydrophobicContact CG-CE2 4.34Å; R66-H86 VanDerWaalsContact CD-ND1 3.31Å; R66-H86 WeakPolarHBondContact CD-ND1 3.35Å; R66-H86 PolarHBondContact NH1-CE1 3.3Å; R66-H86 PolarHBondContact NH1-ND1 3.12Å; R66-E98 IonicContact CZ-OE1 2.67Å; R66-E98 IonicContact NH1-OE1 3.97Å; R66-E98 PolarHBondContact NH1-OE1 3Å; R66-E98 IonicContact NH2-OE1 2.96Å; R66-C102 PolarHBondContact NH1-SG 3.42Å
67	Q	96.3	Very high	96.3	Very high	25 Å²	25	44.3 Å²	44.3	12%	0.117	20%	0.201	C	C	.	.	H	α-helix	trans	-61.6	-48	175.6	-180	-177.7	70.6	0	0	111.1	Y21 L22 L24 K63 S64 I65 L69 M70 V71	Y21-Q67 HydrophobicContact CD2-CB 4.41Å; Y21-Q67 HydrophobicContact CE2-CB 4.12Å; Y21-Q67 HydrophobicContact CE2-CG 4.44Å; Y21-Q67 VanDerWaalsContact CE2-NE2 3.32Å; L22-Q67 VanDerWaalsContact O-CD 3.3Å; L22-Q67 PolarHBondContact O-NE2 2.94Å; L22-Q67 PolarHBondContact O-OE1 2.92Å; L24-Q67 HydrophobicContact CD1-CG 4.19Å; K63-Q67 WeakPolarHBondContact O-CB 3.34Å; K63-Q67 PolarHBondContact O-N 3.5Å; S64-Q67 PolarHBondContact O-N 3.25Å; I65-Q67 VanDerWaalsContact C-N 3.32Å; I65-Q67 PolarHBondContact O-N 3.27Å; Q67-L69 VanDerWaalsContact C-N 3.29Å; Q67-L69 PolarHBondContact O-N 2.9Å; Q67-M70 PolarHBondContact O-N 3.2Å; Q67-M70 VanDerWaalsContact O-N 3.15Å; Q67-V71 HydrophobicContact CG-CG2 4.26Å; Q67-V71 WeakPolarHBondContact O-CB 3.24Å; Q67-V71 VanDerWaalsContact O-CG2 3.3Å; Q67-V71 WeakPolarHBondContact O-CG2 3.5Å; Q67-V71 PolarHBondContact O-N 2.86Å
68	D	97.1	Very high	96.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-39.8	179.4	-73.9	-2	0	0	0	112	K19 V32 R33 L38 S64 I65 Q72	K19-D68 IonicContact NZ-OD1 2.71Å; K19-D68 PolarHBondContact NZ-OD1 3.33Å; K19-D68 IonicContact NZ-OD2 2.72Å; K19-D68 PolarHBondContact NZ-OD2 3.12Å; V32-D68 HydrophobicContact CG1-CB 3.96Å; R33-D68 VanDerWaalsContact CB-OD2 3.29Å; R33-D68 WeakPolarHBondContact CB-OD2 3.38Å; R33-D68 WeakPolarHBondContact CG-OD2 2.94Å; R33-D68 IonicContact CZ-OD2 3.65Å; R33-D68 PolarHBondContact N-OD2 3.38Å; R33-D68 IonicContact NE-OD2 3.68Å; R33-D68 PolarHBondContact NE-OD2 3.17Å; R33-D68 IonicContact NH2-OD2 2.8Å; L38-D68 HydrophobicContact CD1-CB 3.97Å; L38-D68 HydrophobicContact CD2-CB 3.71Å; L38-D68 HydrophobicContact CG-CB 4.42Å; S64-D68 PolarHBondContact O-N 3.41Å; S64-D68 VanDerWaalsContact O-N 3.16Å; I65-D68 PolarHBondContact O-N 2.97Å; D68-Q72 WeakPolarHBondContact O-CB 3.33Å; D68-Q72 VanDerWaalsContact O-CG 3.28Å; D68-Q72 WeakPolarHBondContact O-CG 3.42Å; D68-Q72 PolarHBondContact O-N 3.27Å; D68-Q72 PolarHBondContact O-NE2 3.42Å
69	L	96.9	Very high	96.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-44.4	174.4	-70.5	170.3	0	0	0	112.1	L38 I65 R66 Q67 Q72 R73 I74 F78 T79 V82	L38-L69 HydrophobicContact CD1-CD2 3.66Å; L38-L69 HydrophobicContact CD1-CG 3.92Å; I65-L69 HydrophobicContact CG2-CD1 4.24Å; I65-L69 WeakPolarHBondContact O-CG 3.39Å; I65-L69 PolarHBondContact O-N 3.14Å; I65-L69 VanDerWaalsContact O-N 3.09Å; R66-L69 PolarHBondContact O-N 3.07Å; Q67-L69 VanDerWaalsContact C-N 3.29Å; Q67-L69 PolarHBondContact O-N 2.9Å; L69-Q72 CarbonylContact O-C 3.58Å; L69-Q72 PolarHBondContact O-N 3.28Å; L69-R73 PolarHBondContact O-N 3.21Å; L69-I74 HydrophobicContact CD2-CB 3.88Å; L69-I74 HydrophobicContact CD2-CD1 4.16Å; L69-I74 HydrophobicContact CD2-CG2 3.92Å; L69-I74 PolarHBondContact O-N 3.46Å; L69-F78 HydrophobicContact CD1-CE1 4.35Å; L69-F78 HydrophobicContact CD2-CD1 4.08Å; L69-F78 HydrophobicContact CD2-CE1 3.97Å; L69-T79 HydrophobicContact CD1-CG2 4.23Å; L69-V82 HydrophobicContact CD1-CB 4.02Å; L69-V82 HydrophobicContact CD1-CG1 4.09Å; L69-V82 HydrophobicContact CD1-CG2 3.9Å
70	M	94.6	Very high	96.6	Very high	109 Å²	109	41.1 Å²	41.1	54%	0.537	18%	0.184	S	C	.	.	H	α-helix	trans	-63.9	-45.8	-179.9	-176.3	-174	-63.9	0	0	111.6	R66 Q67 Q72 R73	R66-M70 WeakPolarHBondContact O-CB 3.43Å; R66-M70 PolarHBondContact O-N 3.44Å; Q67-M70 PolarHBondContact O-N 3.2Å; Q67-M70 VanDerWaalsContact O-N 3.15Å; M70-Q72 VanDerWaalsContact C-N 3.3Å; M70-Q72 PolarHBondContact O-N 2.74Å; M70-R73 PolarHBondContact O-N 3.09Å
71	V	93.6	Very high	96.7	Very high	35 Å²	35	42.2 Å²	42.2	21%	0.212	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-40.5	179.5	167.8	0	0	0	0	111.3	L24 V27 V32 Q67 R73	L24-V71 HydrophobicContact CD1-CG2 4.23Å; V27-V71 HydrophobicContact CB-CG1 4.29Å; V27-V71 HydrophobicContact CG1-CG1 3.3Å; V27-V71 HydrophobicContact CG2-CG1 3.98Å; V27-V71 HydrophobicContact CG2-CG2 4.47Å; V32-V71 HydrophobicContact CG1-CG1 4.43Å; V32-V71 HydrophobicContact CG2-CG1 3.97Å; Q67-V71 HydrophobicContact CG-CG2 4.26Å; Q67-V71 WeakPolarHBondContact O-CB 3.24Å; Q67-V71 VanDerWaalsContact O-CG2 3.3Å; Q67-V71 WeakPolarHBondContact O-CG2 3.5Å; Q67-V71 PolarHBondContact O-N 2.86Å; V71-R73 VanDerWaalsContact C-N 3.27Å; V71-R73 PolarHBondContact O-N 3.26Å
72	Q	95.1	Very high	96.7	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.037	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	0.1	176.9	-61.6	175.3	98.3	0	0	113.1	V9 I10 V32 R33 D68 L69 M70 I74	V9-Q72 WeakPolarHBondContact CG1-O 3.47Å; I10-Q72 WeakPolarHBondContact O-CA 3.25Å; I10-Q72 WeakPolarHBondContact O-CG 3.46Å; V32-Q72 HydrophobicContact CG1-CG 3.63Å; R33-Q72 PolarHBondContact O-NE2 3.41Å; D68-Q72 WeakPolarHBondContact O-CB 3.33Å; D68-Q72 VanDerWaalsContact O-CG 3.28Å; D68-Q72 WeakPolarHBondContact O-CG 3.42Å; D68-Q72 PolarHBondContact O-N 3.27Å; D68-Q72 PolarHBondContact O-NE2 3.42Å; L69-Q72 CarbonylContact O-C 3.58Å; L69-Q72 PolarHBondContact O-N 3.28Å; M70-Q72 VanDerWaalsContact C-N 3.3Å; M70-Q72 PolarHBondContact O-N 2.74Å; Q72-I74 HydrophobicContact CB-CD1 3.76Å; Q72-I74 HydrophobicContact CB-CG1 3.76Å; Q72-I74 PolarHBondContact O-N 2.9Å; Q72-I74 VanDerWaalsContact O-N 3.16Å
73	R	94.5	Very high	96.8	Very high	157 Å²	157	40.2 Å²	40.2	59%	0.592	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	31.8	-177.1	-54.3	-178	-179.5	-178.5	0.9	113.9	L69 M70 V71 R75	L69-R73 PolarHBondContact O-N 3.21Å; M70-R73 PolarHBondContact O-N 3.09Å; V71-R73 VanDerWaalsContact C-N 3.27Å; V71-R73 PolarHBondContact O-N 3.26Å; R73-R75 PolarHBondContact O-N 3.21Å
74	I	95.8	Very high	96.8	Very high	30 Å²	30	37.8 Å²	37.8	15%	0.154	17%	0.169	C	C	.	.			trans	-76.7	116.9	179.3	-61.3	171.1	0	0	0	108.6	E35 L69 Q72 T79	E35-I74 HydrophobicContact CB-CD1 4.15Å; E35-I74 WeakPolarHBondContact OE2-CG2 3.3Å; L69-I74 HydrophobicContact CD2-CB 3.88Å; L69-I74 HydrophobicContact CD2-CD1 4.16Å; L69-I74 HydrophobicContact CD2-CG2 3.92Å; L69-I74 PolarHBondContact O-N 3.46Å; Q72-I74 HydrophobicContact CB-CD1 3.76Å; Q72-I74 HydrophobicContact CB-CG1 3.76Å; Q72-I74 PolarHBondContact O-N 2.9Å; Q72-I74 VanDerWaalsContact O-N 3.16Å; I74-T79 WeakPolarHBondContact O-CG2 3.3Å; I74-T79 PolarHBondContact O-OG1 2.79Å
75	R	95.6	Very high	96.8	Very high	118 Å²	118	38.4 Å²	38.4	45%	0.445	17%	0.173	S	C	.	.			trans	-131.5	87.2	-179.4	-62	-176.9	69.3	81.7	0.6	109.4	R73 M108 L109	R73-R75 PolarHBondContact O-N 3.21Å; R75-M108 VanDerWaalsContact NH2-C 3.3Å; R75-M108 PolarHBondContact NH2-O 3.22Å; R75-M108 VanDerWaalsContact NH2-O 3.17Å; R75-L109 HydrophobicContact CB-CD2 4.02Å; R75-L109 HydrophobicContact CG-CD2 4.23Å
76	N	96.2	Very high	96.8	Very high	36 Å²	36	38.4 Å²	38.4	19%	0.193	17%	0.173	C	C	.	.	S	Bend	trans	-142.4	-173.5	179.4	59.8	18.2	0	0	0	110.1	E35 F78 T79 I80	E35-N76 PolarHBondContact OE2-ND2 3.38Å; N76-F78 PolarHBondContact O-N 3.24Å; N76-F78 WeakPolarHBondContact OD1-CB 3.45Å; N76-F78 PolarHBondContact OD1-N 3.16Å; N76-T79 WeakPolarHBondContact O-CB 3.42Å; N76-T79 PolarHBondContact O-N 3.02Å; N76-T79 VanDerWaalsContact O-N 3.09Å; N76-T79 PolarHBondContact OD1-N 3.08Å; N76-T79 PolarHBondContact OD1-OG1 2.87Å; N76-I80 PolarHBondContact O-N 2.72Å; N76-I80 VanDerWaalsContact O-N 3.13Å
77	E	96.6	Very high	96.8	Very high	132 Å²	132	37.5 Å²	37.5	62%	0.617	17%	0.17	S	C	*	.	H	α-helix	trans	-59.5	-33.3	179.8	-60.7	79.7	-175.8	0	0	112.1	I80 E81	E77-I80 WeakPolarHBondContact O-CB 3.33Å; E77-I80 PolarHBondContact O-N 3.25Å; E77-E81 PolarHBondContact O-N 3.47Å
78	F	97.6	Very high	96.9	Very high	12 Å²	12	38.9 Å²	38.9	5%	0.053	17%	0.174	C	C	.	.	H	α-helix	trans	-67.4	-41.5	175.2	173.3	-110.7	0	0	0	111.6	E35 L38 K39 L42 L69 N76 I80 E81 V82	E35-F78 HydrophobicContact CG-CD1 3.81Å; E35-F78 HydrophobicContact CG-CE1 4.17Å; L38-F78 HydrophobicContact CB-CE1 3.73Å; L38-F78 HydrophobicContact CB-CZ 3.92Å; K39-F78 HydrophobicContact CB-CE2 4.22Å; K39-F78 HydrophobicContact CB-CZ 4.36Å; K39-F78 HydrophobicContact CG-CD1 4.29Å; K39-F78 HydrophobicContact CG-CD2 3.67Å; K39-F78 HydrophobicContact CG-CE1 4.14Å; K39-F78 HydrophobicContact CG-CE2 3.5Å; K39-F78 VanDerWaalsContact CG-CE2 3.5Å; K39-F78 HydrophobicContact CG-CG 4.07Å; K39-F78 HydrophobicContact CG-CZ 3.76Å; L42-F78 HydrophobicContact CB-CE2 4.18Å; L42-F78 HydrophobicContact CB-CZ 4.33Å; L42-F78 HydrophobicContact CD2-CD2 4.38Å; L42-F78 HydrophobicContact CD2-CE2 3.64Å; L42-F78 HydrophobicContact CD2-CZ 4.37Å; L69-F78 HydrophobicContact CD1-CE1 4.35Å; L69-F78 HydrophobicContact CD2-CD1 4.08Å; L69-F78 HydrophobicContact CD2-CE1 3.97Å; N76-F78 PolarHBondContact O-N 3.24Å; N76-F78 WeakPolarHBondContact OD1-CB 3.45Å; N76-F78 PolarHBondContact OD1-N 3.16Å; F78-I80 VanDerWaalsContact C-N 3.28Å; F78-I80 PolarHBondContact O-N 2.89Å; F78-E81 WeakPolarHBondContact O-CB 3.42Å; F78-E81 PolarHBondContact O-N 3.21Å; F78-V82 HydrophobicContact CD2-CG2 4.43Å; F78-V82 HydrophobicContact CE1-CG2 4.03Å; F78-V82 HydrophobicContact CE2-CG2 3.88Å; F78-V82 HydrophobicContact CZ-CG2 3.65Å; F78-V82 WeakPolarHBondContact O-CG2 3.4Å; F78-V82 PolarHBondContact O-N 3.46Å
79	T	97.9	Very high	96.9	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-43.9	173.4	-58.7	0	0	0	0	110.8	L69 I74 N76 V82 Y83 L109	L69-T79 HydrophobicContact CD1-CG2 4.23Å; I74-T79 WeakPolarHBondContact O-CG2 3.3Å; I74-T79 PolarHBondContact O-OG1 2.79Å; N76-T79 WeakPolarHBondContact O-CB 3.42Å; N76-T79 PolarHBondContact O-N 3.02Å; N76-T79 VanDerWaalsContact O-N 3.09Å; N76-T79 PolarHBondContact OD1-N 3.08Å; N76-T79 PolarHBondContact OD1-OG1 2.87Å; T79-V82 PolarHBondContact O-N 3.45Å; T79-Y83 HydrophobicContact CG2-CD2 3.81Å; T79-Y83 HydrophobicContact CG2-CE2 3.76Å; T79-Y83 VanDerWaalsContact O-CD2 3.28Å; T79-Y83 WeakPolarHBondContact O-CD2 3.4Å; T79-Y83 PolarHBondContact O-N 2.92Å; T79-Y83 VanDerWaalsContact O-N 3.14Å; T79-L109 HydrophobicContact CG2-CD1 3.88Å; T79-L109 HydrophobicContact CG2-CD2 4.03Å
80	I	98.1	Very high	96.9	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.036	18%	0.175	C	C	.	.	H	α-helix	trans	-57.3	-51.8	174.6	-70.3	169	0	0	0	110.3	N76 E77 F78 V82 Y83 E84 L106 L109 Y110 I113 C116	N76-I80 PolarHBondContact O-N 2.72Å; N76-I80 VanDerWaalsContact O-N 3.13Å; E77-I80 WeakPolarHBondContact O-CB 3.33Å; E77-I80 PolarHBondContact O-N 3.25Å; F78-I80 VanDerWaalsContact C-N 3.28Å; F78-I80 PolarHBondContact O-N 2.89Å; I80-V82 VanDerWaalsContact C-N 3.28Å; I80-V82 PolarHBondContact O-N 3.26Å; I80-Y83 PolarHBondContact O-N 2.95Å; I80-Y83 VanDerWaalsContact O-N 3.08Å; I80-E84 HydrophobicContact CG2-CG 3.9Å; I80-E84 VanDerWaalsContact CG2-OE1 3.23Å; I80-E84 WeakPolarHBondContact CG2-OE1 3.3Å; I80-E84 VanDerWaalsContact O-CG 3.31Å; I80-E84 WeakPolarHBondContact O-CG 3.18Å; I80-E84 PolarHBondContact O-N 3.39Å; I80-L106 HydrophobicContact CG2-CD2 4.16Å; I80-L109 HydrophobicContact CD1-CB 4.16Å; I80-L109 HydrophobicContact CG1-CB 3.7Å; I80-L109 HydrophobicContact CG1-CD1 4.03Å; I80-L109 HydrophobicContact CG1-CD2 4.48Å; I80-L109 HydrophobicContact CG1-CG 4.28Å; I80-Y110 HydrophobicContact CD1-CD1 4.24Å; I80-Y110 HydrophobicContact CD1-CE1 4.35Å; I80-Y110 HydrophobicContact CG2-CE1 3.76Å; I80-I113 HydrophobicContact CD1-CB 4.09Å; I80-I113 HydrophobicContact CD1-CD1 3.69Å; I80-I113 HydrophobicContact CD1-CG1 4.47Å; I80-I113 HydrophobicContact CD1-CG2 4.26Å; I80-I113 HydrophobicContact CG1-CD1 4.42Å; I80-C116 WeakPolarHBondContact CD1-SG 3.48Å
81	E	98.1	Very high	97	Very high	80 Å²	80	34.5 Å²	34.5	37%	0.374	15%	0.153	S	C	.	.	H	α-helix	trans	-54.2	-42.1	-179.8	-171	-168.8	167.7	0	0	112.8	L42 K46 E77 F78 T85	L42-E81 HydrophobicContact CD2-CG 4.07Å; K46-E81 IonicContact NZ-OE1 3.57Å; K46-E81 PolarHBondContact NZ-OE1 3.4Å; E77-E81 PolarHBondContact O-N 3.47Å; F78-E81 WeakPolarHBondContact O-CB 3.42Å; F78-E81 PolarHBondContact O-N 3.21Å; E81-T85 VanDerWaalsContact O-CB 3.28Å; E81-T85 WeakPolarHBondContact O-CB 3.38Å; E81-T85 PolarHBondContact O-N 3.26Å; E81-T85 PolarHBondContact O-OG1 3.45Å
82	V	98.5	Very high	97	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-50.5	176.5	170.5	0	0	0	0	111	L42 I65 R66 L69 F78 T79 I80 T85 H86	L42-V82 HydrophobicContact CD1-CG2 4.18Å; L42-V82 HydrophobicContact CD2-CG2 3.74Å; L42-V82 HydrophobicContact CG-CG2 4.38Å; I65-V82 HydrophobicContact CB-CG1 4.38Å; I65-V82 HydrophobicContact CG2-CB 4.41Å; I65-V82 HydrophobicContact CG2-CG1 3.68Å; I65-V82 HydrophobicContact CG2-CG2 3.78Å; R66-V82 HydrophobicContact CG-CG1 3.63Å; L69-V82 HydrophobicContact CD1-CB 4.02Å; L69-V82 HydrophobicContact CD1-CG1 4.09Å; L69-V82 HydrophobicContact CD1-CG2 3.9Å; F78-V82 HydrophobicContact CD2-CG2 4.43Å; F78-V82 HydrophobicContact CE1-CG2 4.03Å; F78-V82 HydrophobicContact CE2-CG2 3.88Å; F78-V82 HydrophobicContact CZ-CG2 3.65Å; F78-V82 WeakPolarHBondContact O-CG2 3.4Å; F78-V82 PolarHBondContact O-N 3.46Å; T79-V82 PolarHBondContact O-N 3.45Å; I80-V82 VanDerWaalsContact C-N 3.28Å; I80-V82 PolarHBondContact O-N 3.26Å; V82-T85 PolarHBondContact O-N 3.2Å; V82-H86 PolarHBondContact O-N 3.21Å
83	Y	98.6	Very high	97	Very high	9 Å²	9	41.6 Å²	41.6	4%	0.035	18%	0.182	C	C	.	.	H	α-helix	trans	-66.3	-40.5	-178.9	-85.7	-78.2	0	0	0	112.4	R66 T79 I80 H86 A87 C102 Q105 L109	R66-Y83 HydrophobicContact CG-CD1 4.3Å; R66-Y83 HydrophobicContact CG-CE1 4.06Å; R66-Y83 HydrophobicContact CG-CE2 4.34Å; T79-Y83 HydrophobicContact CG2-CD2 3.81Å; T79-Y83 HydrophobicContact CG2-CE2 3.76Å; T79-Y83 VanDerWaalsContact O-CD2 3.28Å; T79-Y83 WeakPolarHBondContact O-CD2 3.4Å; T79-Y83 PolarHBondContact O-N 2.92Å; T79-Y83 VanDerWaalsContact O-N 3.14Å; I80-Y83 PolarHBondContact O-N 2.95Å; I80-Y83 VanDerWaalsContact O-N 3.08Å; Y83-H86 PolarHBondContact O-N 2.88Å; Y83-A87 VanDerWaalsContact O-CB 3.28Å; Y83-A87 WeakPolarHBondContact O-CB 3.29Å; Y83-A87 PolarHBondContact O-N 3.32Å; Y83-C102 HydrophobicContact CD1-CB 4.13Å; Y83-Q105 HydrophobicContact CD1-CB 3.83Å; Y83-Q105 HydrophobicContact CD1-CG 4.41Å; Y83-Q105 HydrophobicContact CE1-CB 3.41Å; Y83-Q105 VanDerWaalsContact CE1-CB 3.41Å; Y83-Q105 HydrophobicContact CE1-CG 3.56Å; Y83-Q105 HydrophobicContact CE2-CB 4.22Å; Y83-Q105 HydrophobicContact CG-CB 4.34Å; Y83-L109 HydrophobicContact CD2-CD1 3.79Å; Y83-L109 HydrophobicContact CE2-CD1 4.27Å; Y83-L109 HydrophobicContact CG-CD1 4.47Å
84	E	98.2	Very high	96.9	Very high	10 Å²	10	37 Å²	37	5%	0.047	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-43.3	175.8	-67.7	-174	-176.1	0	0	112	I80 H86 A87 R88 L106 Y110 N118 F122	I80-E84 HydrophobicContact CG2-CG 3.9Å; I80-E84 VanDerWaalsContact CG2-OE1 3.23Å; I80-E84 WeakPolarHBondContact CG2-OE1 3.3Å; I80-E84 VanDerWaalsContact O-CG 3.31Å; I80-E84 WeakPolarHBondContact O-CG 3.18Å; I80-E84 PolarHBondContact O-N 3.39Å; E84-H86 VanDerWaalsContact C-N 3.32Å; E84-H86 PolarHBondContact O-N 2.79Å; E84-A87 PolarHBondContact O-N 3.09Å; E84-R88 WeakPolarHBondContact O-CB 3.35Å; E84-R88 VanDerWaalsContact O-CG 3.32Å; E84-R88 WeakPolarHBondContact O-CG 3.49Å; E84-R88 PolarHBondContact O-N 2.67Å; E84-R88 IonicContact OE2-CZ 3.86Å; E84-R88 IonicContact OE2-NH1 3.69Å; E84-R88 PolarHBondContact OE2-NH1 3.39Å; E84-R88 IonicContact OE2-NH2 3.35Å; E84-R88 PolarHBondContact OE2-NH2 2.69Å; E84-L106 HydrophobicContact CG-CD1 4.32Å; E84-L106 HydrophobicContact CG-CD2 3.8Å; E84-Y110 PolarHBondContact OE1-OH 3.31Å; E84-N118 WeakPolarHBondContact OE1-CB 3.38Å; E84-N118 PolarHBondContact OE1-ND2 3.41Å; E84-N118 PolarHBondContact OE2-ND2 2.95Å; E84-F122 HydrophobicContact CB-CE2 3.69Å; E84-F122 HydrophobicContact CB-CZ 3.56Å; E84-F122 HydrophobicContact CG-CD2 4.07Å; E84-F122 HydrophobicContact CG-CE2 3.35Å; E84-F122 HydrophobicContact CG-CZ 3.69Å
85	T	98.1	Very high	96.9	Very high	14 Å²	14	37.3 Å²	37.3	9%	0.086	18%	0.179	C	C	.	.	H	α-helix	trans	-59.1	-48.1	177.7	-60.8	0	0	0	0	110	L42 K46 L62 E81 V82 R88 I89	L42-T85 HydrophobicContact CD1-CG2 4.28Å; K46-T85 WeakPolarHBondContact CE-OG1 3.36Å; K46-T85 HydrophobicContact CG-CG2 4.04Å; K46-T85 PolarHBondContact NZ-OG1 2.92Å; L62-T85 HydrophobicContact CD2-CG2 4.49Å; E81-T85 VanDerWaalsContact O-CB 3.28Å; E81-T85 WeakPolarHBondContact O-CB 3.38Å; E81-T85 PolarHBondContact O-N 3.26Å; E81-T85 PolarHBondContact O-OG1 3.45Å; V82-T85 PolarHBondContact O-N 3.2Å; T85-R88 PolarHBondContact O-N 2.97Å; T85-I89 HydrophobicContact CG2-CD1 3.99Å; T85-I89 WeakPolarHBondContact O-CG1 3.32Å; T85-I89 PolarHBondContact O-N 3.43Å; T85-I89 VanDerWaalsContact O-N 3.11Å
86	H	98.4	Very high	96.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-43.7	179.9	-163	171.7	0	0	0	112.3	L62 R66 V82 Y83 E84 R88 I89 A90 E98	L62-H86 HydrophobicContact CB-CB 4.14Å; L62-H86 VanDerWaalsContact CB-ND1 3.33Å; L62-H86 WeakPolarHBondContact CB-ND1 3.42Å; L62-H86 HydrophobicContact CD1-CB 3.88Å; L62-H86 HydrophobicContact CG-CB 4.4Å; R66-H86 VanDerWaalsContact CD-ND1 3.31Å; R66-H86 WeakPolarHBondContact CD-ND1 3.35Å; R66-H86 PolarHBondContact NH1-CE1 3.3Å; R66-H86 PolarHBondContact NH1-ND1 3.12Å; V82-H86 PolarHBondContact O-N 3.21Å; Y83-H86 PolarHBondContact O-N 2.88Å; E84-H86 VanDerWaalsContact C-N 3.32Å; E84-H86 PolarHBondContact O-N 2.79Å; H86-R88 VanDerWaalsContact C-N 3.34Å; H86-R88 PolarHBondContact O-N 3.09Å; H86-I89 PolarHBondContact O-N 3.16Å; H86-A90 WeakPolarHBondContact O-CB 3.36Å; H86-A90 PolarHBondContact O-N 2.89Å; H86-E98 IonicContact CE1-OE1 3.39Å; H86-E98 PolarHBondContact CE1-OE1 2.87Å; H86-E98 WeakPolarHBondContact NE2-CG 3.22Å; H86-E98 IonicContact NE2-OE1 3.31Å
87	A	98.1	Very high	96.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-44.1	176.2	0	0	0	0	0	112.4	Y83 E84 A90 L91 F99 C102 L106 F122	Y83-A87 VanDerWaalsContact O-CB 3.28Å; Y83-A87 WeakPolarHBondContact O-CB 3.29Å; Y83-A87 PolarHBondContact O-N 3.32Å; E84-A87 PolarHBondContact O-N 3.09Å; A87-A90 PolarHBondContact O-N 3.26Å; A87-L91 WeakPolarHBondContact O-CG 3.15Å; A87-L91 PolarHBondContact O-N 3.02Å; A87-F99 HydrophobicContact CB-CD2 3.98Å; A87-F99 HydrophobicContact CB-CE2 4.27Å; A87-C102 HydrophobicContact CB-CB 3.71Å; A87-L106 HydrophobicContact CB-CD1 4.35Å; A87-F122 HydrophobicContact CB-CE1 3.59Å; A87-F122 HydrophobicContact CB-CZ 4.29Å
88	R	97.6	Very high	96.9	Very high	54 Å²	54	32.5 Å²	32.5	20%	0.204	16%	0.16	C	C	.	.	H	α-helix	trans	-63.8	-42.4	178.2	-72	178.2	-175.2	118.6	-3.6	112	E84 T85 H86 L91 Q92 N118 E121 F122 L185	E84-R88 WeakPolarHBondContact O-CB 3.35Å; E84-R88 VanDerWaalsContact O-CG 3.32Å; E84-R88 WeakPolarHBondContact O-CG 3.49Å; E84-R88 PolarHBondContact O-N 2.67Å; E84-R88 IonicContact OE2-CZ 3.86Å; E84-R88 IonicContact OE2-NH1 3.69Å; E84-R88 PolarHBondContact OE2-NH1 3.39Å; E84-R88 IonicContact OE2-NH2 3.35Å; E84-R88 PolarHBondContact OE2-NH2 2.69Å; T85-R88 PolarHBondContact O-N 2.97Å; H86-R88 VanDerWaalsContact C-N 3.34Å; H86-R88 PolarHBondContact O-N 3.09Å; R88-L91 PolarHBondContact O-N 3.22Å; R88-Q92 WeakPolarHBondContact O-CG 3.48Å; R88-Q92 PolarHBondContact O-N 3.26Å; R88-Q92 VanDerWaalsContact O-N 3.1Å; R88-N118 PolarHBondContact NH2-ND2 2.9Å; R88-E121 IonicContact CZ-OE1 2.81Å; R88-E121 IonicContact CZ-OE2 2.59Å; R88-E121 IonicContact NE-OE1 3.61Å; R88-E121 PolarHBondContact NE-OE1 3.41Å; R88-E121 IonicContact NE-OE2 2.61Å; R88-E121 IonicContact NH2-OE1 2.71Å; R88-E121 IonicContact NH2-OE2 3.57Å; R88-E121 PolarHBondContact NH2-OE2 3.41Å; R88-F122 HydrophobicContact CG-CZ 4.17Å; R88-L185 HydrophobicContact CB-CD1 3.75Å; R88-L185 HydrophobicContact CG-CD1 3.93Å
89	I	97.1	Very high	96.9	Very high	7 Å²	7	32 Å²	32	4%	0.036	16%	0.158	C	C	.	.	H	α-helix	trans	-66.7	-43.8	178	-68.5	172.6	0	0	0	110.7	W49 Y55 V58 L62 T85 H86 L91 Q92 K93	W49-I89 HydrophobicContact CB-CD1 4.36Å; W49-I89 HydrophobicContact CD2-CD1 4.1Å; W49-I89 HydrophobicContact CD2-CG1 4.22Å; W49-I89 HydrophobicContact CD2-CG2 4.2Å; W49-I89 HydrophobicContact CE3-CG2 4.15Å; W49-I89 HydrophobicContact CG-CD1 3.88Å; W49-I89 HydrophobicContact CG-CG1 4.32Å; W49-I89 HydrophobicContact CH2-CG2 3.7Å; W49-I89 HydrophobicContact CZ2-CB 4.48Å; W49-I89 HydrophobicContact CZ2-CG1 4.31Å; W49-I89 HydrophobicContact CZ2-CG2 3.85Å; W49-I89 HydrophobicContact CZ3-CG2 3.91Å; Y55-I89 HydrophobicContact CD2-CG2 3.8Å; Y55-I89 HydrophobicContact CE2-CG2 3.9Å; V58-I89 HydrophobicContact CG1-CD1 3.83Å; V58-I89 HydrophobicContact CG1-CG2 4.19Å; L62-I89 HydrophobicContact CD1-CD1 4Å; T85-I89 HydrophobicContact CG2-CD1 3.99Å; T85-I89 WeakPolarHBondContact O-CG1 3.32Å; T85-I89 PolarHBondContact O-N 3.43Å; T85-I89 VanDerWaalsContact O-N 3.11Å; H86-I89 PolarHBondContact O-N 3.16Å; I89-L91 VanDerWaalsContact C-N 3.33Å; I89-L91 PolarHBondContact O-N 2.96Å; I89-Q92 PolarHBondContact O-N 3.32Å; I89-K93 PolarHBondContact O-N 3.1Å; I89-K93 VanDerWaalsContact O-N 3.14Å
90	A	97.2	Very high	96.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.7	-43.1	175.4	0	0	0	0	0	111.8	H86 A87 Q92 K93 A94 D95 E98 F99	H86-A90 WeakPolarHBondContact O-CB 3.36Å; H86-A90 PolarHBondContact O-N 2.89Å; A87-A90 PolarHBondContact O-N 3.26Å; A90-Q92 PolarHBondContact O-N 3.47Å; A90-K93 CarbonylContact O-C 3.57Å; A90-K93 PolarHBondContact O-N 2.91Å; A90-A94 PolarHBondContact O-N 3.44Å; A90-D95 HydrophobicContact CB-CB 4.26Å; A90-D95 PolarHBondContact O-N 2.92Å; A90-E98 HydrophobicContact CB-CB 4.12Å; A90-E98 HydrophobicContact CB-CG 4.42Å; A90-F99 HydrophobicContact CB-CB 4.13Å
91	L	95.4	Very high	96.8	Very high	11 Å²	11	39 Å²	39	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-59.9	-44.7	174.1	-75.9	-179.1	0	0	0	112.9	A87 R88 I89 K93 A94 F99 Y125 L185 C188 L189	A87-L91 WeakPolarHBondContact O-CG 3.15Å; A87-L91 PolarHBondContact O-N 3.02Å; R88-L91 PolarHBondContact O-N 3.22Å; I89-L91 VanDerWaalsContact C-N 3.33Å; I89-L91 PolarHBondContact O-N 2.96Å; L91-K93 PolarHBondContact O-N 3.46Å; L91-A94 PolarHBondContact O-N 3.15Å; L91-A94 VanDerWaalsContact O-N 3.15Å; L91-F99 HydrophobicContact CD1-CD2 3.88Å; L91-F99 HydrophobicContact CD1-CE2 3.63Å; L91-F99 HydrophobicContact CD1-CZ 4.31Å; L91-F99 HydrophobicContact CD2-CB 4.2Å; L91-F99 HydrophobicContact CD2-CD1 3.91Å; L91-F99 HydrophobicContact CD2-CD2 3.54Å; L91-F99 HydrophobicContact CD2-CE1 4.19Å; L91-F99 HydrophobicContact CD2-CE2 3.84Å; L91-F99 HydrophobicContact CD2-CG 3.57Å; L91-F99 HydrophobicContact CD2-CZ 4.16Å; L91-F99 HydrophobicContact CG-CD2 3.42Å; L91-F99 VanDerWaalsContact CG-CD2 3.42Å; L91-F99 HydrophobicContact CG-CE2 3.73Å; L91-F99 HydrophobicContact CG-CG 3.96Å; L91-F99 HydrophobicContact CG-CZ 4.48Å; L91-Y125 HydrophobicContact CD1-CD2 3.82Å; L91-Y125 HydrophobicContact CD1-CE2 3.95Å; L91-Y125 HydrophobicContact CD1-CG 4.16Å; L91-L185 HydrophobicContact CB-CD1 4.38Å; L91-L185 HydrophobicContact CD1-CB 4.22Å; L91-C188 HydrophobicContact CB-CB 4.5Å; L91-L189 HydrophobicContact CD1-CD1 4.38Å; L91-L189 HydrophobicContact CD2-CD1 4.04Å; L91-L189 HydrophobicContact CD2-CD2 3.56Å; L91-L189 HydrophobicContact CD2-CG 3.59Å
92	Q	94.4	Very high	96.8	Very high	95 Å²	95	35.2 Å²	35.2	44%	0.444	17%	0.174	S	C	.	.	H	α-helix	trans	-62.8	-27.3	178.9	-71.8	173.5	26	0	0	112.8	R88 I89 A90 L185	R88-Q92 WeakPolarHBondContact O-CG 3.48Å; R88-Q92 PolarHBondContact O-N 3.26Å; R88-Q92 VanDerWaalsContact O-N 3.1Å; I89-Q92 PolarHBondContact O-N 3.32Å; A90-Q92 PolarHBondContact O-N 3.47Å; Q92-L185 HydrophobicContact CG-CD1 4.12Å; Q92-L185 HydrophobicContact CG-CD2 3.85Å
93	K	95	Very high	96.7	Very high	98 Å²	98	35.7 Å²	35.7	43%	0.426	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	10.8	178.7	-64.9	-71	-174.9	173.3	0	113.5	W49 C53 Y55 I89 A90 L91 D95	W49-K93 HydrophobicContact CH2-CD 4.11Å; W49-K93 HydrophobicContact CH2-CG 3.74Å; C53-K93 PolarHBondContact O-NZ 3.06Å; Y55-K93 HydrophobicContact CD1-CB 4.08Å; Y55-K93 HydrophobicContact CD1-CG 4.36Å; Y55-K93 HydrophobicContact CD2-CB 3.88Å; Y55-K93 HydrophobicContact CD2-CG 3.65Å; Y55-K93 HydrophobicContact CE1-CB 4.31Å; Y55-K93 HydrophobicContact CE2-CB 4.12Å; Y55-K93 HydrophobicContact CE2-CG 4.32Å; Y55-K93 HydrophobicContact CG-CB 3.88Å; Y55-K93 HydrophobicContact CG-CD 4.38Å; Y55-K93 HydrophobicContact CG-CG 3.68Å; I89-K93 PolarHBondContact O-N 3.1Å; I89-K93 VanDerWaalsContact O-N 3.14Å; A90-K93 CarbonylContact O-C 3.57Å; A90-K93 PolarHBondContact O-N 2.91Å; L91-K93 PolarHBondContact O-N 3.46Å; K93-D95 PolarHBondContact O-N 3.3Å
94	A	93.4	Very high	96.5	Very high	59 Å²	59	38.3 Å²	38.3	49%	0.488	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	29.5	179.9	0	0	0	0	0	114.6	A90 L91 K96	A90-A94 PolarHBondContact O-N 3.44Å; L91-A94 PolarHBondContact O-N 3.15Å; L91-A94 VanDerWaalsContact O-N 3.15Å; A94-K96 PolarHBondContact O-N 3.46Å
95	D	96	Very high	96.5	Very high	37 Å²	37	40.6 Å²	40.6	20%	0.198	21%	0.207	C	C	.	.			trans	-85.8	97.1	173.6	-171.3	-25.9	0	0	0	109.7	Y55 A90 K93 E98 F99	Y55-D95 HydrophobicContact CE1-CB 4.04Å; Y55-D95 WeakPolarHBondContact CE1-OD2 3.49Å; Y55-D95 WeakPolarHBondContact OH-CB 3.44Å; Y55-D95 PolarHBondContact OH-OD2 2.98Å; A90-D95 HydrophobicContact CB-CB 4.26Å; A90-D95 PolarHBondContact O-N 2.92Å; K93-D95 PolarHBondContact O-N 3.3Å; D95-E98 HydrophobicContact CB-CB 4.25Å; D95-E98 VanDerWaalsContact CG-CB 3.4Å; D95-E98 WeakPolarHBondContact OD1-CB 3.34Å; D95-E98 PolarHBondContact OD1-N 3.43Å; D95-F99 VanDerWaalsContact O-CB 3.3Å; D95-F99 WeakPolarHBondContact O-CB 3.47Å; D95-F99 PolarHBondContact O-N 2.88Å; D95-F99 VanDerWaalsContact O-N 3.15Å
96	K	94.6	Very high	96.5	Very high	52 Å²	52	40 Å²	40	23%	0.226	20%	0.203	C	C	.	.	H	α-helix	trans	-79.9	-37.3	-167.7	-54.5	176	-164.8	174.4	0	110.7	A94 N100 F129 Y132 L192	A94-K96 PolarHBondContact O-N 3.46Å; K96-N100 VanDerWaalsContact O-CB 3.27Å; K96-N100 WeakPolarHBondContact O-CB 3.4Å; K96-N100 PolarHBondContact O-N 3.5Å; K96-F129 HydrophobicContact CB-CE2 4.24Å; K96-Y132 HydrophobicContact CD-CE1 3.62Å; K96-Y132 HydrophobicContact CD-CE2 4.33Å; K96-Y132 VanDerWaalsContact CD-CZ 3.49Å; K96-Y132 WeakPolarHBondContact CD-OH 3.28Å; K96-Y132 PolarHBondContact NZ-OH 2.88Å; K96-L192 HydrophobicContact CD-CD1 3.89Å; K96-L192 VanDerWaalsContact CE-CD2 3.5Å; K96-L192 HydrophobicContact CG-CD1 4Å
97	E	96.1	Very high	96.3	Very high	130 Å²	130	43.5 Å²	43.5	61%	0.607	22%	0.218	S	C	*	.	H	α-helix	trans	-64.3	-47.3	178.2	-68	70.6	-159.5	0	0	110	N100 Q101	E97-N100 PolarHBondContact O-N 3.44Å; E97-Q101 WeakPolarHBondContact O-CG 3.34Å; E97-Q101 PolarHBondContact O-N 3.16Å; E97-Q101 VanDerWaalsContact O-N 3.08Å
98	E	97.5	Very high	96.2	Very high	4 Å²	4	48 Å²	48	2%	0.019	24%	0.24	C	C	.	.	H	α-helix	trans	-69.8	-40.2	179.7	-161.2	60.2	-140.2	0	0	112.2	K63 R66 H86 A90 D95 N100 Q101 C102	K63-E98 VanDerWaalsContact CE-OE1 3.32Å; K63-E98 WeakPolarHBondContact CE-OE1 3.18Å; K63-E98 WeakPolarHBondContact CE-OE2 3.14Å; K63-E98 IonicContact NZ-OE2 2.78Å; K63-E98 PolarHBondContact NZ-OE2 3.26Å; R66-E98 IonicContact CZ-OE1 2.67Å; R66-E98 IonicContact NH1-OE1 3.97Å; R66-E98 PolarHBondContact NH1-OE1 3Å; R66-E98 IonicContact NH2-OE1 2.96Å; H86-E98 IonicContact CE1-OE1 3.39Å; H86-E98 PolarHBondContact CE1-OE1 2.87Å; H86-E98 WeakPolarHBondContact NE2-CG 3.22Å; H86-E98 IonicContact NE2-OE1 3.31Å; A90-E98 HydrophobicContact CB-CB 4.12Å; A90-E98 HydrophobicContact CB-CG 4.42Å; D95-E98 HydrophobicContact CB-CB 4.25Å; D95-E98 VanDerWaalsContact CG-CB 3.4Å; D95-E98 WeakPolarHBondContact OD1-CB 3.34Å; D95-E98 PolarHBondContact OD1-N 3.43Å; E98-N100 PolarHBondContact O-N 3.2Å; E98-Q101 PolarHBondContact O-N 2.99Å; E98-C102 PolarHBondContact O-N 3.31Å; E98-C102 VanDerWaalsContact O-N 3.08Å; E98-C102 PolarHBondContact O-SG 3.42Å
99	F	97.4	Very high	96.2	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-48	172.4	169.7	-103.9	0	0	0	111.7	A87 A90 L91 D95 Q101 C102 Q103 Y125 F129 L189	A87-F99 HydrophobicContact CB-CD2 3.98Å; A87-F99 HydrophobicContact CB-CE2 4.27Å; A90-F99 HydrophobicContact CB-CB 4.13Å; L91-F99 HydrophobicContact CD1-CD2 3.88Å; L91-F99 HydrophobicContact CD1-CE2 3.63Å; L91-F99 HydrophobicContact CD1-CZ 4.31Å; L91-F99 HydrophobicContact CD2-CB 4.2Å; L91-F99 HydrophobicContact CD2-CD1 3.91Å; L91-F99 HydrophobicContact CD2-CD2 3.54Å; L91-F99 HydrophobicContact CD2-CE1 4.19Å; L91-F99 HydrophobicContact CD2-CE2 3.84Å; L91-F99 HydrophobicContact CD2-CG 3.57Å; L91-F99 HydrophobicContact CD2-CZ 4.16Å; L91-F99 HydrophobicContact CG-CD2 3.42Å; L91-F99 VanDerWaalsContact CG-CD2 3.42Å; L91-F99 HydrophobicContact CG-CE2 3.73Å; L91-F99 HydrophobicContact CG-CG 3.96Å; L91-F99 HydrophobicContact CG-CZ 4.48Å; D95-F99 VanDerWaalsContact O-CB 3.3Å; D95-F99 WeakPolarHBondContact O-CB 3.47Å; D95-F99 PolarHBondContact O-N 2.88Å; D95-F99 VanDerWaalsContact O-N 3.15Å; F99-Q101 VanDerWaalsContact C-N 3.34Å; F99-Q101 PolarHBondContact O-N 3.02Å; F99-C102 PolarHBondContact O-N 3.38Å; F99-C102 VanDerWaalsContact O-N 3.16Å; F99-Q103 VanDerWaalsContact CE1-NE2 3.25Å; F99-Q103 HydrophobicContact CZ-CB 4.43Å; F99-Q103 WeakPolarHBondContact O-CB 3.32Å; F99-Q103 PolarHBondContact O-N 3.29Å; F99-Y125 HydrophobicContact CE2-CD2 4.47Å; F99-F129 AromaticContact CD1-CD2 3.72Å; F99-F129 HydrophobicContact CD1-CD2 3.72Å; F99-F129 HydrophobicContact CD1-CE2 4.06Å; F99-F129 HydrophobicContact CD1-CG 4.28Å; F99-F129 HydrophobicContact CE1-CB 3.9Å; F99-F129 AromaticContact CE1-CD2 3.72Å; F99-F129 HydrophobicContact CE1-CD2 3.72Å; F99-F129 HydrophobicContact CE1-CE2 4.47Å; F99-F129 AromaticContact CE1-CG 3.88Å; F99-F129 HydrophobicContact CE1-CG 3.88Å; F99-L189 HydrophobicContact CD1-CD2 4.45Å; F99-L189 HydrophobicContact CE1-CD1 4.35Å; F99-L189 HydrophobicContact CE1-CD2 4.2Å; F99-L189 HydrophobicContact CZ-CD1 4.24Å
100	N	96.4	Very high	96.1	Very high	60 Å²	60	45.9 Å²	45.9	32%	0.321	23%	0.232	S	C	.	.	H	α-helix	trans	-63.1	-38.7	-179.1	-173	42.1	0	0	0	112.5	K96 E97 E98 Q103 S104 F129	K96-N100 VanDerWaalsContact O-CB 3.27Å; K96-N100 WeakPolarHBondContact O-CB 3.4Å; K96-N100 PolarHBondContact O-N 3.5Å; E97-N100 PolarHBondContact O-N 3.44Å; E98-N100 PolarHBondContact O-N 3.2Å; N100-Q103 PolarHBondContact O-N 2.94Å; N100-S104 PolarHBondContact O-N 3.15Å; N100-S104 PolarHBondContact O-OG 3.36Å; N100-F129 HydrophobicContact CB-CE1 3.96Å; N100-F129 HydrophobicContact CB-CE2 4.42Å; N100-F129 HydrophobicContact CB-CZ 3.71Å; N100-F129 WeakPolarHBondContact OD1-CE1 3.45Å
101	Q	97	Very high	95.9	Very high	98 Å²	98	51.9 Å²	51.9	46%	0.458	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-44.8	173.1	-73.5	177.2	53.1	0	0	111.9	E97 E98 F99 Q105	E97-Q101 WeakPolarHBondContact O-CG 3.34Å; E97-Q101 PolarHBondContact O-N 3.16Å; E97-Q101 VanDerWaalsContact O-N 3.08Å; E98-Q101 PolarHBondContact O-N 2.99Å; F99-Q101 VanDerWaalsContact C-N 3.34Å; F99-Q101 PolarHBondContact O-N 3.02Å; Q101-Q105 PolarHBondContact O-N 2.7Å
102	C	98	Very high	95.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-44.3	177.3	-64.6	0	0	0	0	111.8	R66 Y83 A87 E98 F99 S104 Q105 L106	R66-C102 PolarHBondContact NH1-SG 3.42Å; Y83-C102 HydrophobicContact CD1-CB 4.13Å; A87-C102 HydrophobicContact CB-CB 3.71Å; E98-C102 PolarHBondContact O-N 3.31Å; E98-C102 VanDerWaalsContact O-N 3.08Å; E98-C102 PolarHBondContact O-SG 3.42Å; F99-C102 PolarHBondContact O-N 3.38Å; F99-C102 VanDerWaalsContact O-N 3.16Å; C102-S104 VanDerWaalsContact C-N 3.34Å; C102-S104 PolarHBondContact O-N 3.33Å; C102-Q105 PolarHBondContact O-N 2.8Å; C102-L106 WeakPolarHBondContact O-CG 3.47Å; C102-L106 PolarHBondContact O-N 3.11Å
103	Q	96	Very high	95.8	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-43.9	-179.9	-179.1	-165.7	94.3	0	0	112.2	F99 N100 Q105 L106 K107 R126	F99-Q103 VanDerWaalsContact CE1-NE2 3.25Å; F99-Q103 HydrophobicContact CZ-CB 4.43Å; F99-Q103 WeakPolarHBondContact O-CB 3.32Å; F99-Q103 PolarHBondContact O-N 3.29Å; N100-Q103 PolarHBondContact O-N 2.94Å; Q103-Q105 VanDerWaalsContact C-N 3.25Å; Q103-Q105 PolarHBondContact O-N 3.33Å; Q103-L106 PolarHBondContact O-N 2.73Å; Q103-K107 PolarHBondContact O-N 3.19Å; Q103-R126 HydrophobicContact CG-CB 4.11Å; Q103-R126 HydrophobicContact CG-CG 4.31Å
104	S	95.9	Very high	95.6	Very high	64 Å²	64	51.8 Å²	51.8	45%	0.448	28%	0.278	S	S	.	.	H	α-helix	trans	-59.2	-39.7	178.5	-64.1	0	0	0	0	111.5	N100 C102	N100-S104 PolarHBondContact O-N 3.15Å; N100-S104 PolarHBondContact O-OG 3.36Å; C102-S104 VanDerWaalsContact C-N 3.34Å; C102-S104 PolarHBondContact O-N 3.33Å
105	Q	97.2	Very high	95.4	Very high	59 Å²	59	52.7 Å²	52.7	28%	0.276	29%	0.294	S	S	.	.	H	α-helix	trans	-73.5	-41.8	177.1	-66.3	-67.8	-1.3	0	0	112.5	Y83 Q101 C102 Q103 K107 M108 L109	Y83-Q105 HydrophobicContact CD1-CB 3.83Å; Y83-Q105 HydrophobicContact CD1-CG 4.41Å; Y83-Q105 HydrophobicContact CE1-CB 3.41Å; Y83-Q105 VanDerWaalsContact CE1-CB 3.41Å; Y83-Q105 HydrophobicContact CE1-CG 3.56Å; Y83-Q105 HydrophobicContact CE2-CB 4.22Å; Y83-Q105 HydrophobicContact CG-CB 4.34Å; Q101-Q105 PolarHBondContact O-N 2.7Å; C102-Q105 PolarHBondContact O-N 2.8Å; Q103-Q105 VanDerWaalsContact C-N 3.25Å; Q103-Q105 PolarHBondContact O-N 3.33Å; Q105-K107 VanDerWaalsContact C-N 3.31Å; Q105-K107 PolarHBondContact O-N 3.18Å; Q105-M108 PolarHBondContact O-N 2.73Å; Q105-L109 WeakPolarHBondContact O-CG 3.11Å; Q105-L109 PolarHBondContact O-N 3.49Å
106	L	97.6	Very high	95.3	Very high	1 Å²	1	52 Å²	52	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-58.7	-41.9	175.9	-76.5	169.5	0	0	0	112.1	I80 E84 A87 C102 Q103 M108 L109 Y110 F122	I80-L106 HydrophobicContact CG2-CD2 4.16Å; E84-L106 HydrophobicContact CG-CD1 4.32Å; E84-L106 HydrophobicContact CG-CD2 3.8Å; A87-L106 HydrophobicContact CB-CD1 4.35Å; C102-L106 WeakPolarHBondContact O-CG 3.47Å; C102-L106 PolarHBondContact O-N 3.11Å; Q103-L106 PolarHBondContact O-N 2.73Å; L106-M108 VanDerWaalsContact C-N 3.32Å; L106-M108 PolarHBondContact O-N 3.05Å; L106-L109 PolarHBondContact O-N 3.11Å; L106-L109 VanDerWaalsContact O-N 3.09Å; L106-Y110 HydrophobicContact CB-CD2 4.36Å; L106-Y110 HydrophobicContact CB-CE2 3.89Å; L106-Y110 HydrophobicContact CD2-CE2 4.35Å; L106-Y110 WeakPolarHBondContact O-CD2 3.17Å; L106-Y110 PolarHBondContact O-N 3.2Å; L106-F122 HydrophobicContact CD1-CD1 3.46Å; L106-F122 VanDerWaalsContact CD1-CD1 3.46Å; L106-F122 HydrophobicContact CD1-CD2 4.46Å; L106-F122 HydrophobicContact CD1-CE1 3.55Å; L106-F122 HydrophobicContact CD1-CG 3.95Å; L106-F122 HydrophobicContact CD1-CZ 4.1Å
107	K	95.2	Very high	95.2	Very high	74 Å²	74	54.8 Å²	54.8	32%	0.322	32%	0.318	S	S	.	.	H	α-helix	trans	-51.7	-52.2	174.6	177.3	-172.7	176.4	-165.7	0	111.2	Q103 Q105 L109 Y110 E111	Q103-K107 PolarHBondContact O-N 3.19Å; Q105-K107 VanDerWaalsContact C-N 3.31Å; Q105-K107 PolarHBondContact O-N 3.18Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 3.2Å; K107-Y110 PolarHBondContact O-N 2.9Å; K107-E111 WeakPolarHBondContact CE-OE1 3.3Å; K107-E111 WeakPolarHBondContact O-CG 3.33Å; K107-E111 PolarHBondContact O-N 3.49Å; K107-E111 VanDerWaalsContact O-N 3.15Å
108	M	95.5	Very high	95.1	Very high	93 Å²	93	50.3 Å²	50.3	46%	0.458	30%	0.298	S	S	.	.	H	α-helix	trans	-67.5	-30.4	-179.3	-60.4	-58.5	-50.6	0	0	112.6	R75 Q105 L106 S112	R75-M108 VanDerWaalsContact NH2-C 3.3Å; R75-M108 PolarHBondContact NH2-O 3.22Å; R75-M108 VanDerWaalsContact NH2-O 3.17Å; Q105-M108 PolarHBondContact O-N 2.73Å; L106-M108 VanDerWaalsContact C-N 3.32Å; L106-M108 PolarHBondContact O-N 3.05Å; M108-S112 PolarHBondContact O-N 3.04Å; M108-S112 PolarHBondContact O-OG 2.77Å
109	L	96.9	Very high	95.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-72.1	-45.1	178.3	-73.3	162.9	0	0	0	111.3	R75 T79 I80 Y83 Q105 L106 K107 E111 S112 I113	R75-L109 HydrophobicContact CB-CD2 4.02Å; R75-L109 HydrophobicContact CG-CD2 4.23Å; T79-L109 HydrophobicContact CG2-CD1 3.88Å; T79-L109 HydrophobicContact CG2-CD2 4.03Å; I80-L109 HydrophobicContact CD1-CB 4.16Å; I80-L109 HydrophobicContact CG1-CB 3.7Å; I80-L109 HydrophobicContact CG1-CD1 4.03Å; I80-L109 HydrophobicContact CG1-CD2 4.48Å; I80-L109 HydrophobicContact CG1-CG 4.28Å; Y83-L109 HydrophobicContact CD2-CD1 3.79Å; Y83-L109 HydrophobicContact CE2-CD1 4.27Å; Y83-L109 HydrophobicContact CG-CD1 4.47Å; Q105-L109 WeakPolarHBondContact O-CG 3.11Å; Q105-L109 PolarHBondContact O-N 3.49Å; L106-L109 PolarHBondContact O-N 3.11Å; L106-L109 VanDerWaalsContact O-N 3.09Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 3.2Å; L109-E111 VanDerWaalsContact C-N 3.33Å; L109-E111 PolarHBondContact O-N 2.9Å; L109-S112 WeakPolarHBondContact CA-OG 3.18Å; L109-S112 CarbonylContact O-C 3.45Å; L109-S112 PolarHBondContact O-N 3.38Å; L109-S112 PolarHBondContact O-OG 3.05Å; L109-I113 PolarHBondContact O-N 3.36Å
110	Y	96	Very high	95	Very high	18 Å²	18	53.7 Å²	53.7	7%	0.071	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-35.8	177	-63.2	-40.9	0	0	0	112.9	I80 E84 L106 K107 S112 I113 C116 E119 F122	I80-Y110 HydrophobicContact CD1-CD1 4.24Å; I80-Y110 HydrophobicContact CD1-CE1 4.35Å; I80-Y110 HydrophobicContact CG2-CE1 3.76Å; E84-Y110 PolarHBondContact OE1-OH 3.31Å; L106-Y110 HydrophobicContact CB-CD2 4.36Å; L106-Y110 HydrophobicContact CB-CE2 3.89Å; L106-Y110 HydrophobicContact CD2-CE2 4.35Å; L106-Y110 WeakPolarHBondContact O-CD2 3.17Å; L106-Y110 PolarHBondContact O-N 3.2Å; K107-Y110 PolarHBondContact O-N 2.9Å; Y110-S112 PolarHBondContact O-N 3.43Å; Y110-I113 PolarHBondContact O-N 2.91Å; Y110-C116 HydrophobicContact CD1-CB 3.51Å; Y110-C116 HydrophobicContact CE1-CB 3.6Å; Y110-E119 HydrophobicContact CD1-CB 4.21Å; Y110-E119 HydrophobicContact CD1-CG 4.32Å; Y110-E119 HydrophobicContact CD2-CB 4.34Å; Y110-E119 HydrophobicContact CD2-CG 3.88Å; Y110-E119 HydrophobicContact CE1-CB 4.33Å; Y110-E119 HydrophobicContact CE2-CB 4.47Å; Y110-E119 HydrophobicContact CE2-CG 4.4Å; Y110-E119 HydrophobicContact CG-CB 4.21Å; Y110-E119 HydrophobicContact CG-CG 3.83Å; Y110-F122 HydrophobicContact CE2-CB 3.78Å; Y110-F122 HydrophobicContact CE2-CD2 4.46Å; Y110-F122 HydrophobicContact CE2-CG 4.3Å; Y110-F122 WeakPolarHBondContact OH-CD2 3.5Å
111	E	93.1	Very high	95.1	Very high	126 Å²	126	51.1 Å²	51.1	59%	0.589	30%	0.302	S	S	*	.	H	α-helix	trans	-63.1	-28.2	172.6	-73.2	169.8	-172.7	0	0	112.2	K107 L109	K107-E111 WeakPolarHBondContact CE-OE1 3.3Å; K107-E111 WeakPolarHBondContact O-CG 3.33Å; K107-E111 PolarHBondContact O-N 3.49Å; K107-E111 VanDerWaalsContact O-N 3.15Å; L109-E111 VanDerWaalsContact C-N 3.33Å; L109-E111 PolarHBondContact O-N 2.9Å
112	S	93.9	Very high	95.1	Very high	65 Å²	65	46.8 Å²	46.8	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-94	-20.5	179.7	61.2	0	0	0	0	115.2	M108 L109 Y110	M108-S112 PolarHBondContact O-N 3.04Å; M108-S112 PolarHBondContact O-OG 2.77Å; L109-S112 WeakPolarHBondContact CA-OG 3.18Å; L109-S112 CarbonylContact O-C 3.45Å; L109-S112 PolarHBondContact O-N 3.38Å; L109-S112 PolarHBondContact O-OG 3.05Å; Y110-S112 PolarHBondContact O-N 3.43Å
113	I	93.6	Very high	95	Very high	19 Å²	19	47 Å²	47	10%	0.097	28%	0.284	C	S	.	.	S	Bend	trans	-129.3	100.5	-173	-58.3	167.8	0	0	0	108.3	I80 L109 Y110 C116	I80-I113 HydrophobicContact CD1-CB 4.09Å; I80-I113 HydrophobicContact CD1-CD1 3.69Å; I80-I113 HydrophobicContact CD1-CG1 4.47Å; I80-I113 HydrophobicContact CD1-CG2 4.26Å; I80-I113 HydrophobicContact CG1-CD1 4.42Å; L109-I113 PolarHBondContact O-N 3.36Å; Y110-I113 PolarHBondContact O-N 2.91Å; I113-C116 PolarHBondContact O-SG 3Å
114	P	89.7	Confident	95	Very high	117 Å²	117	46.5 Å²	46.5	76%	0.76	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	158.3	-178.6	30.3	-34.7	0	0	0	111.9
115	G	89.9	Confident	95.1	Very high	79 Å²	79	43.5 Å²	43.5	81%	0.814	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	16.9	172.2	0	0	0	0	0	115.2	S117	G115-S117 PolarHBondContact O-N 3.17Å
116	C	93.1	Very high	95.1	Very high	22 Å²	22	42.5 Å²	42.5	15%	0.149	25%	0.254	C	S	.	.			trans	-69.3	119.8	179.3	-67.3	0	0	0	0	111.7	I80 Y110 I113 N118 E119	I80-C116 WeakPolarHBondContact CD1-SG 3.48Å; Y110-C116 HydrophobicContact CD1-CB 3.51Å; Y110-C116 HydrophobicContact CE1-CB 3.6Å; I113-C116 PolarHBondContact O-SG 3Å; C116-N118 VanDerWaalsContact C-N 3.27Å; C116-N118 PolarHBondContact O-N 3.09Å; C116-E119 HydrophobicContact CB-CB 4.23Å; C116-E119 WeakPolarHBondContact O-CB 3.22Å; C116-E119 PolarHBondContact O-N 3.19Å
117	S	92.4	Very high	95.1	Very high	110 Å²	110	42.4 Å²	42.4	77%	0.769	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-30.1	-172.7	56.4	0	0	0	0	114.6	G115	G115-S117 PolarHBondContact O-N 3.17Å
118	N	96	Very high	95.2	Very high	37 Å²	37	38.9 Å²	38.9	20%	0.198	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	5	-177.6	-57.1	-49.8	0	0	0	113.7	E84 R88 C116 C120 E121 F122	E84-N118 WeakPolarHBondContact OE1-CB 3.38Å; E84-N118 PolarHBondContact OE1-ND2 3.41Å; E84-N118 PolarHBondContact OE2-ND2 2.95Å; R88-N118 PolarHBondContact NH2-ND2 2.9Å; C116-N118 VanDerWaalsContact C-N 3.27Å; C116-N118 PolarHBondContact O-N 3.09Å; N118-C120 VanDerWaalsContact C-N 3.26Å; N118-C120 PolarHBondContact O-N 3.35Å; N118-E121 WeakPolarHBondContact O-CB 3.42Å; N118-E121 PolarHBondContact O-N 3.03Å; N118-F122 HydrophobicContact CB-CD2 4.16Å; N118-F122 HydrophobicContact CB-CE2 4.17Å; N118-F122 WeakPolarHBondContact O-CD2 3.27Å; N118-F122 PolarHBondContact O-N 3.2Å
119	E	96.1	Very high	95.2	Very high	48 Å²	48	35.1 Å²	35.1	22%	0.224	22%	0.219	C	C	.	.	H	α-helix	trans	-52.3	-47.3	-178.7	-176.4	-171.9	162.7	0	0	111.5	Y110 C116 E121 F122 V123 Q150	Y110-E119 HydrophobicContact CD1-CB 4.21Å; Y110-E119 HydrophobicContact CD1-CG 4.32Å; Y110-E119 HydrophobicContact CD2-CB 4.34Å; Y110-E119 HydrophobicContact CD2-CG 3.88Å; Y110-E119 HydrophobicContact CE1-CB 4.33Å; Y110-E119 HydrophobicContact CE2-CB 4.47Å; Y110-E119 HydrophobicContact CE2-CG 4.4Å; Y110-E119 HydrophobicContact CG-CB 4.21Å; Y110-E119 HydrophobicContact CG-CG 3.83Å; C116-E119 HydrophobicContact CB-CB 4.23Å; C116-E119 WeakPolarHBondContact O-CB 3.22Å; C116-E119 PolarHBondContact O-N 3.19Å; E119-E121 VanDerWaalsContact C-N 3.31Å; E119-E121 PolarHBondContact O-N 3.28Å; E119-F122 PolarHBondContact O-N 3.19Å; E119-F122 VanDerWaalsContact O-N 3.12Å; E119-V123 HydrophobicContact CG-CG2 4.26Å; E119-V123 VanDerWaalsContact O-CG2 3.3Å; E119-V123 WeakPolarHBondContact O-CG2 3.23Å; E119-V123 PolarHBondContact O-N 3.45Å; E119-Q150 PolarHBondContact OE1-NE2 3.11Å
120	C	96.5	Very high	95.2	Very high	28 Å²	28	36.2 Å²	36.2	19%	0.189	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-35.4	-179.9	-69	0	0	0	0	113.3	N118 A124 S153 Y155 V156	N118-C120 VanDerWaalsContact C-N 3.26Å; N118-C120 PolarHBondContact O-N 3.35Å; C120-A124 WeakPolarHBondContact O-CB 3.32Å; C120-A124 PolarHBondContact O-N 3.4Å; C120-A124 VanDerWaalsContact O-N 3.09Å; C120-S153 WeakPolarHBondContact CB-OG 3.31Å; C120-Y155 HydrophobicContact CB-CD2 4.46Å; C120-V156 HydrophobicContact CB-CG2 3.94Å; C120-V156 WeakPolarHBondContact O-CG2 3.36Å
121	E	96.8	Very high	95.2	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.023	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-47.8	174	171	-172.9	178.1	0	0	110.5	R88 N118 E119 A124 Y125 Y155 K184	R88-E121 IonicContact CZ-OE1 2.81Å; R88-E121 IonicContact CZ-OE2 2.59Å; R88-E121 IonicContact NE-OE1 3.61Å; R88-E121 PolarHBondContact NE-OE1 3.41Å; R88-E121 IonicContact NE-OE2 2.61Å; R88-E121 IonicContact NH2-OE1 2.71Å; R88-E121 IonicContact NH2-OE2 3.57Å; R88-E121 PolarHBondContact NH2-OE2 3.41Å; N118-E121 WeakPolarHBondContact O-CB 3.42Å; N118-E121 PolarHBondContact O-N 3.03Å; E119-E121 VanDerWaalsContact C-N 3.31Å; E119-E121 PolarHBondContact O-N 3.28Å; E121-A124 WeakPolarHBondContact O-CB 3.44Å; E121-A124 PolarHBondContact O-N 2.93Å; E121-Y125 HydrophobicContact CG-CD2 4.04Å; E121-Y125 HydrophobicContact CG-CE1 4.22Å; E121-Y125 HydrophobicContact CG-CE2 3.36Å; E121-Y125 VanDerWaalsContact CG-CZ 3.45Å; E121-Y125 WeakPolarHBondContact CG-OH 3.38Å; E121-Y125 PolarHBondContact O-N 3.23Å; E121-Y125 WeakPolarHBondContact OE1-CE2 3.38Å; E121-Y125 VanDerWaalsContact OE1-CZ 3.32Å; E121-Y125 PolarHBondContact OE1-OH 2.91Å; E121-Y155 HydrophobicContact CB-CD2 4.26Å; E121-K184 HydrophobicContact CB-CD 4.36Å; E121-K184 VanDerWaalsContact CD-CD 3.41Å; E121-K184 HydrophobicContact CG-CD 3.75Å; E121-K184 IonicContact OE2-NZ 3.2Å; E121-K184 PolarHBondContact OE2-NZ 3.32Å
122	F	97.2	Very high	95.3	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-75.9	-28.1	-177.2	-77.4	-81.6	0	0	0	113.4	E84 A87 R88 L106 Y110 N118 E119 A124 Y125 R126	E84-F122 HydrophobicContact CB-CE2 3.69Å; E84-F122 HydrophobicContact CB-CZ 3.56Å; E84-F122 HydrophobicContact CG-CD2 4.07Å; E84-F122 HydrophobicContact CG-CE2 3.35Å; E84-F122 HydrophobicContact CG-CZ 3.69Å; A87-F122 HydrophobicContact CB-CE1 3.59Å; A87-F122 HydrophobicContact CB-CZ 4.29Å; R88-F122 HydrophobicContact CG-CZ 4.17Å; L106-F122 HydrophobicContact CD1-CD1 3.46Å; L106-F122 VanDerWaalsContact CD1-CD1 3.46Å; L106-F122 HydrophobicContact CD1-CD2 4.46Å; L106-F122 HydrophobicContact CD1-CE1 3.55Å; L106-F122 HydrophobicContact CD1-CG 3.95Å; L106-F122 HydrophobicContact CD1-CZ 4.1Å; Y110-F122 HydrophobicContact CE2-CB 3.78Å; Y110-F122 HydrophobicContact CE2-CD2 4.46Å; Y110-F122 HydrophobicContact CE2-CG 4.3Å; Y110-F122 WeakPolarHBondContact OH-CD2 3.5Å; N118-F122 HydrophobicContact CB-CD2 4.16Å; N118-F122 HydrophobicContact CB-CE2 4.17Å; N118-F122 WeakPolarHBondContact O-CD2 3.27Å; N118-F122 PolarHBondContact O-N 3.2Å; E119-F122 PolarHBondContact O-N 3.19Å; E119-F122 VanDerWaalsContact O-N 3.12Å; F122-A124 VanDerWaalsContact C-N 3.33Å; F122-Y125 HydrophobicContact CD1-CD2 4.02Å; F122-Y125 HydrophobicContact CE1-CD2 4.14Å; F122-Y125 HydrophobicContact CE1-CE2 4.44Å; F122-R126 VanDerWaalsContact O-CB 3.32Å; F122-R126 WeakPolarHBondContact O-CB 3.33Å; F122-R126 PolarHBondContact O-N 2.88Å
123	V	96.4	Very high	95.4	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.03	20%	0.201	C	C	.	.	H	α-helix	trans	-61.5	-44.6	167.6	171.7	0	0	0	0	110.3	E119 R126 L127 V156	E119-V123 HydrophobicContact CG-CG2 4.26Å; E119-V123 VanDerWaalsContact O-CG2 3.3Å; E119-V123 WeakPolarHBondContact O-CG2 3.23Å; E119-V123 PolarHBondContact O-N 3.45Å; V123-R126 PolarHBondContact O-N 3.03Å; V123-L127 PolarHBondContact O-N 3.5Å; V123-L127 VanDerWaalsContact O-N 3.1Å; V123-V156 HydrophobicContact CB-CG2 4.4Å; V123-V156 HydrophobicContact CG1-CG2 4.22Å
124	A	97.2	Very high	95.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.4	-49.2	176.7	0	0	0	0	0	111.8	C120 E121 F122 R126 L127 L128 Y155 A159	C120-A124 WeakPolarHBondContact O-CB 3.32Å; C120-A124 PolarHBondContact O-N 3.4Å; C120-A124 VanDerWaalsContact O-N 3.09Å; E121-A124 WeakPolarHBondContact O-CB 3.44Å; E121-A124 PolarHBondContact O-N 2.93Å; F122-A124 VanDerWaalsContact C-N 3.33Å; A124-R126 PolarHBondContact O-N 2.8Å; A124-L127 PolarHBondContact O-N 2.73Å; A124-L128 WeakPolarHBondContact O-CG 3.39Å; A124-L128 PolarHBondContact O-N 3.34Å; A124-L128 VanDerWaalsContact O-N 3.09Å; A124-Y155 VanDerWaalsContact CB-O 3.25Å; A124-Y155 WeakPolarHBondContact CB-O 2.78Å; A124-A159 HydrophobicContact CB-CB 3.78Å
125	Y	97.5	Very high	95.8	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-35.9	175.9	-63.7	-22.9	0	0	0	112.6	L91 F99 E121 F122 L128 F129 K184 L185 L189	L91-Y125 HydrophobicContact CD1-CD2 3.82Å; L91-Y125 HydrophobicContact CD1-CE2 3.95Å; L91-Y125 HydrophobicContact CD1-CG 4.16Å; F99-Y125 HydrophobicContact CE2-CD2 4.47Å; E121-Y125 HydrophobicContact CG-CD2 4.04Å; E121-Y125 HydrophobicContact CG-CE1 4.22Å; E121-Y125 HydrophobicContact CG-CE2 3.36Å; E121-Y125 VanDerWaalsContact CG-CZ 3.45Å; E121-Y125 WeakPolarHBondContact CG-OH 3.38Å; E121-Y125 PolarHBondContact O-N 3.23Å; E121-Y125 WeakPolarHBondContact OE1-CE2 3.38Å; E121-Y125 VanDerWaalsContact OE1-CZ 3.32Å; E121-Y125 PolarHBondContact OE1-OH 2.91Å; F122-Y125 HydrophobicContact CD1-CD2 4.02Å; F122-Y125 HydrophobicContact CE1-CD2 4.14Å; F122-Y125 HydrophobicContact CE1-CE2 4.44Å; Y125-L128 PolarHBondContact O-N 3.39Å; Y125-F129 WeakPolarHBondContact O-CB 3.42Å; Y125-F129 PolarHBondContact O-N 3.2Å; Y125-K184 WeakPolarHBondContact OH-CB 3.24Å; Y125-L185 HydrophobicContact CE1-CB 4.24Å; Y125-L185 PolarHBondContact OH-N 3.06Å; Y125-L185 VanDerWaalsContact OH-N 3.11Å; Y125-L189 HydrophobicContact CD1-CD1 4.14Å; Y125-L189 HydrophobicContact CG-CD1 4.15Å; Y125-L189 VanDerWaalsContact O-CD1 3.29Å; Y125-L189 WeakPolarHBondContact O-CD1 3.28Å
126	R	96.8	Very high	96	Very high	37 Å²	37	30.8 Å²	30.8	14%	0.14	17%	0.169	C	C	.	.	H	α-helix	trans	-64.7	-45.6	176.4	176.8	176.7	59.1	173.8	-1.7	113.4	Q103 F122 V123 A124 L128 F129 F130	Q103-R126 HydrophobicContact CG-CB 4.11Å; Q103-R126 HydrophobicContact CG-CG 4.31Å; F122-R126 VanDerWaalsContact O-CB 3.32Å; F122-R126 WeakPolarHBondContact O-CB 3.33Å; F122-R126 PolarHBondContact O-N 2.88Å; V123-R126 PolarHBondContact O-N 3.03Å; A124-R126 PolarHBondContact O-N 2.8Å; R126-L128 VanDerWaalsContact C-N 3.33Å; R126-L128 PolarHBondContact O-N 3.33Å; R126-F129 PolarHBondContact O-N 3.02Å; R126-F130 HydrophobicContact CG-CD2 4Å; R126-F130 HydrophobicContact CG-CE1 4.49Å; R126-F130 HydrophobicContact CG-CE2 3.35Å; R126-F130 HydrophobicContact CG-CZ 3.65Å; R126-F130 WeakPolarHBondContact O-CD2 3.22Å; R126-F130 WeakPolarHBondContact O-CG 3.3Å; R126-F130 PolarHBondContact O-N 3.03Å
127	L	97.3	Very high	96.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-46.8	174.5	-75.6	169.5	0	0	0	111.3	V123 A124 F129 F130 V131 T142 L143 I146 A159	V123-L127 PolarHBondContact O-N 3.5Å; V123-L127 VanDerWaalsContact O-N 3.1Å; A124-L127 PolarHBondContact O-N 2.73Å; L127-F129 VanDerWaalsContact C-N 3.32Å; L127-F129 PolarHBondContact O-N 3.1Å; L127-F130 PolarHBondContact O-N 3.43Å; L127-V131 PolarHBondContact O-N 3.13Å; L127-V131 VanDerWaalsContact O-N 3.09Å; L127-T142 HydrophobicContact CD2-CG2 3.63Å; L127-T142 HydrophobicContact CG-CG2 3.99Å; L127-L143 HydrophobicContact CD1-CD2 4.24Å; L127-L143 HydrophobicContact CD2-CD2 4Å; L127-L143 HydrophobicContact CD2-CG 4.16Å; L127-I146 HydrophobicContact CD1-CD1 4.17Å; L127-A159 HydrophobicContact CB-CB 4.05Å; L127-A159 HydrophobicContact CD1-CB 3.99Å
128	L	96.6	Very high	96.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-37	178.1	-64.2	175.2	0	0	0	112.5	A124 Y125 R126 V131 Y132 F158 A159 F162 L189 I190	A124-L128 WeakPolarHBondContact O-CG 3.39Å; A124-L128 PolarHBondContact O-N 3.34Å; A124-L128 VanDerWaalsContact O-N 3.09Å; Y125-L128 PolarHBondContact O-N 3.39Å; R126-L128 VanDerWaalsContact C-N 3.33Å; R126-L128 PolarHBondContact O-N 3.33Å; L128-V131 WeakPolarHBondContact O-CB 3.41Å; L128-V131 PolarHBondContact O-N 3.22Å; L128-Y132 PolarHBondContact O-N 3.09Å; L128-F158 HydrophobicContact CD1-CE1 4.37Å; L128-A159 HydrophobicContact CD2-CB 4.4Å; L128-A159 HydrophobicContact CG-CB 4.23Å; L128-F162 HydrophobicContact CD2-CB 3.88Å; L128-F162 HydrophobicContact CD2-CD1 3.46Å; L128-F162 VanDerWaalsContact CD2-CD1 3.46Å; L128-F162 HydrophobicContact CD2-CE1 4.17Å; L128-F162 HydrophobicContact CD2-CG 3.72Å; L128-L189 HydrophobicContact CB-CB 4.11Å; L128-L189 HydrophobicContact CB-CD1 4.04Å; L128-I190 HydrophobicContact CD1-CD1 4.28Å; L128-I190 HydrophobicContact CD1-CG1 4.24Å; L128-I190 HydrophobicContact CD2-CD1 4.27Å; L128-I190 HydrophobicContact CD2-CG1 4.04Å
129	F	96.6	Very high	96.4	Very high	13 Å²	13	30.7 Å²	30.7	6%	0.057	16%	0.161	C	C	.	.	H	α-helix	trans	-65.8	-38.5	174.9	-173.8	-98.3	0	0	0	112.4	K96 F99 N100 Y125 R126 L127 V131 Y132 T133 L189	K96-F129 HydrophobicContact CB-CE2 4.24Å; F99-F129 AromaticContact CD1-CD2 3.72Å; F99-F129 HydrophobicContact CD1-CD2 3.72Å; F99-F129 HydrophobicContact CD1-CE2 4.06Å; F99-F129 HydrophobicContact CD1-CG 4.28Å; F99-F129 HydrophobicContact CE1-CB 3.9Å; F99-F129 AromaticContact CE1-CD2 3.72Å; F99-F129 HydrophobicContact CE1-CD2 3.72Å; F99-F129 HydrophobicContact CE1-CE2 4.47Å; F99-F129 AromaticContact CE1-CG 3.88Å; F99-F129 HydrophobicContact CE1-CG 3.88Å; N100-F129 HydrophobicContact CB-CE1 3.96Å; N100-F129 HydrophobicContact CB-CE2 4.42Å; N100-F129 HydrophobicContact CB-CZ 3.71Å; N100-F129 WeakPolarHBondContact OD1-CE1 3.45Å; Y125-F129 WeakPolarHBondContact O-CB 3.42Å; Y125-F129 PolarHBondContact O-N 3.2Å; R126-F129 PolarHBondContact O-N 3.02Å; L127-F129 VanDerWaalsContact C-N 3.32Å; L127-F129 PolarHBondContact O-N 3.1Å; F129-V131 VanDerWaalsContact C-N 3.3Å; F129-V131 PolarHBondContact O-N 2.84Å; F129-Y132 HydrophobicContact CD2-CD1 4.27Å; F129-Y132 HydrophobicContact CE2-CD1 4.08Å; F129-Y132 HydrophobicContact CE2-CE1 4.49Å; F129-Y132 WeakPolarHBondContact O-CA 3.36Å; F129-Y132 WeakPolarHBondContact O-CB 3.47Å; F129-Y132 PolarHBondContact O-N 3.41Å; F129-Y132 VanDerWaalsContact O-N 3.15Å; F129-T133 HydrophobicContact CD1-CG2 4.25Å; F129-T133 HydrophobicContact CE1-CG2 3.73Å; F129-T133 HydrophobicContact CZ-CG2 3.92Å; F129-T133 PolarHBondContact O-N 3.48Å; F129-T133 PolarHBondContact O-OG1 2.97Å; F129-L189 HydrophobicContact CB-CD2 4.34Å; F129-L189 HydrophobicContact CD2-CD2 3.96Å
130	F	96.6	Very high	96.5	Very high	23 Å²	23	34.3 Å²	34.3	10%	0.101	18%	0.176	C	C	.	.	H	α-helix	trans	-67	-30.6	173.7	-63.2	-38.6	0	0	0	113	R126 L127 Y132 T133 E134 N135 D138 I139	R126-F130 HydrophobicContact CG-CD2 4Å; R126-F130 HydrophobicContact CG-CE1 4.49Å; R126-F130 HydrophobicContact CG-CE2 3.35Å; R126-F130 HydrophobicContact CG-CZ 3.65Å; R126-F130 WeakPolarHBondContact O-CD2 3.22Å; R126-F130 WeakPolarHBondContact O-CG 3.3Å; R126-F130 PolarHBondContact O-N 3.03Å; L127-F130 PolarHBondContact O-N 3.43Å; F130-Y132 VanDerWaalsContact C-N 3.34Å; F130-T133 WeakPolarHBondContact CA-OG1 3.1Å; F130-T133 PolarHBondContact O-N 3.29Å; F130-T133 PolarHBondContact O-OG1 3.08Å; F130-E134 WeakPolarHBondContact O-CA 3.28Å; F130-E134 PolarHBondContact O-N 3.41Å; F130-N135 HydrophobicContact CB-CB 4.38Å; F130-N135 HydrophobicContact CD1-CB 4.38Å; F130-N135 PolarHBondContact O-N 3.18Å; F130-D138 HydrophobicContact CD1-CB 4.01Å; F130-D138 HydrophobicContact CD2-CB 3.77Å; F130-D138 HydrophobicContact CE1-CB 3.89Å; F130-D138 HydrophobicContact CE2-CB 3.63Å; F130-D138 HydrophobicContact CG-CB 3.97Å; F130-D138 HydrophobicContact CZ-CB 3.7Å; F130-I139 HydrophobicContact CB-CD1 4.19Å; F130-I139 HydrophobicContact CB-CG1 3.5Å
131	V	96.5	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.2	-41	169.7	173.1	0	0	0	0	110.9	L127 L128 F129 E134 I139 F162 C163 W166 V193 R196	L127-V131 PolarHBondContact O-N 3.13Å; L127-V131 VanDerWaalsContact O-N 3.09Å; L128-V131 WeakPolarHBondContact O-CB 3.41Å; L128-V131 PolarHBondContact O-N 3.22Å; F129-V131 VanDerWaalsContact C-N 3.3Å; F129-V131 PolarHBondContact O-N 2.84Å; V131-E134 PolarHBondContact O-N 3.39Å; V131-I139 HydrophobicContact CG2-CD1 3.73Å; V131-F162 HydrophobicContact CG1-CD1 4.36Å; V131-F162 HydrophobicContact CG1-CE1 3.88Å; V131-C163 HydrophobicContact CG2-CB 4.35Å; V131-C163 VanDerWaalsContact CG2-SG 3.51Å; V131-W166 HydrophobicContact CB-CD2 4.4Å; V131-W166 HydrophobicContact CB-CE3 4.49Å; V131-W166 HydrophobicContact CG1-CB 4Å; V131-W166 HydrophobicContact CG1-CD2 3.57Å; V131-W166 HydrophobicContact CG1-CE3 4.12Å; V131-W166 HydrophobicContact CG1-CG 3.46Å; V131-W166 VanDerWaalsContact CG1-CG 3.46Å; V131-W166 HydrophobicContact CG2-CD2 4.36Å; V131-W166 HydrophobicContact CG2-CE3 4.1Å; V131-V193 HydrophobicContact CG1-CG1 3.83Å; V131-V193 HydrophobicContact CG1-CG2 4.01Å; V131-R196 PolarHBondContact O-NH2 3.38Å
132	Y	94.7	Very high	96.4	Very high	60 Å²	60	34.2 Å²	34.2	24%	0.235	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-45.7	173.9	167	-103	0	0	0	112.2	K96 L128 F129 F130 E134 L192 R196	K96-Y132 HydrophobicContact CD-CE1 3.62Å; K96-Y132 HydrophobicContact CD-CE2 4.33Å; K96-Y132 VanDerWaalsContact CD-CZ 3.49Å; K96-Y132 WeakPolarHBondContact CD-OH 3.28Å; K96-Y132 PolarHBondContact NZ-OH 2.88Å; L128-Y132 PolarHBondContact O-N 3.09Å; F129-Y132 HydrophobicContact CD2-CD1 4.27Å; F129-Y132 HydrophobicContact CE2-CD1 4.08Å; F129-Y132 HydrophobicContact CE2-CE1 4.49Å; F129-Y132 WeakPolarHBondContact O-CA 3.36Å; F129-Y132 WeakPolarHBondContact O-CB 3.47Å; F129-Y132 PolarHBondContact O-N 3.41Å; F129-Y132 VanDerWaalsContact O-N 3.15Å; F130-Y132 VanDerWaalsContact C-N 3.34Å; Y132-E134 VanDerWaalsContact C-N 3.26Å; Y132-E134 PolarHBondContact O-N 3.4Å; Y132-L192 HydrophobicContact CD2-CB 3.51Å; Y132-L192 HydrophobicContact CD2-CD1 4.4Å; Y132-L192 HydrophobicContact CE2-CB 3.74Å; Y132-L192 HydrophobicContact CE2-CD1 4.46Å; Y132-L192 HydrophobicContact CG-CB 4.31Å; Y132-R196 PolarHBondContact O-NH1 3.15Å
133	T	95.2	Very high	96.3	Very high	64 Å²	64	36.3 Å²	36.3	39%	0.393	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	1.2	177.9	59.3	0	0	0	0	114.6	F129 F130 N135	F129-T133 HydrophobicContact CD1-CG2 4.25Å; F129-T133 HydrophobicContact CE1-CG2 3.73Å; F129-T133 HydrophobicContact CZ-CG2 3.92Å; F129-T133 PolarHBondContact O-N 3.48Å; F129-T133 PolarHBondContact O-OG1 2.97Å; F130-T133 WeakPolarHBondContact CA-OG1 3.1Å; F130-T133 PolarHBondContact O-N 3.29Å; F130-T133 PolarHBondContact O-OG1 3.08Å; T133-N135 PolarHBondContact O-N 3.26Å
134	E	96	Very high	96.3	Very high	76 Å²	76	40.5 Å²	40.5	36%	0.355	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	27	-177.6	-47.5	-169	-134.1	0	0	114	F130 V131 Y132 T136 W166 R196 R200	F130-E134 WeakPolarHBondContact O-CA 3.28Å; F130-E134 PolarHBondContact O-N 3.41Å; V131-E134 PolarHBondContact O-N 3.39Å; Y132-E134 VanDerWaalsContact C-N 3.26Å; Y132-E134 PolarHBondContact O-N 3.4Å; E134-T136 PolarHBondContact O-N 3.42Å; E134-W166 HydrophobicContact CB-CH2 4.02Å; E134-W166 HydrophobicContact CB-CZ2 4.03Å; E134-W166 HydrophobicContact CG-CH2 4.41Å; E134-W166 HydrophobicContact CG-CZ2 3.92Å; E134-R196 VanDerWaalsContact CD-CZ 3.48Å; E134-R196 VanDerWaalsContact CG-CZ 3.45Å; E134-R196 WeakPolarHBondContact OE1-CD 3.37Å; E134-R196 IonicContact OE1-CZ 3.21Å; E134-R196 VanDerWaalsContact OE1-CZ 3.32Å; E134-R196 IonicContact OE1-NE 3.03Å; E134-R196 PolarHBondContact OE1-NE 3.44Å; E134-R196 IonicContact OE1-NH1 3.32Å; E134-R196 PolarHBondContact OE1-NH1 3.47Å; E134-R200 IonicContact OE1-CZ 3.76Å; E134-R200 IonicContact OE1-NH1 3.98Å; E134-R200 IonicContact OE1-NH2 3.61Å; E134-R200 PolarHBondContact OE1-NH2 2.97Å; E134-R200 IonicContact OE2-CZ 3.2Å; E134-R200 IonicContact OE2-NH1 2.84Å; E134-R200 PolarHBondContact OE2-NH1 2.82Å; E134-R200 IonicContact OE2-NH2 2.91Å; E134-R200 PolarHBondContact OE2-NH2 3.48Å
135	N	95.8	Very high	96.1	Very high	50 Å²	50	48 Å²	48	27%	0.267	25%	0.246	S	C	.	.			trans	-85.8	78	-176.8	-170.8	-17.5	0	0	0	111.3	F130 T133 V137 D138 I139	F130-N135 HydrophobicContact CB-CB 4.38Å; F130-N135 HydrophobicContact CD1-CB 4.38Å; F130-N135 PolarHBondContact O-N 3.18Å; T133-N135 PolarHBondContact O-N 3.26Å; N135-V137 PolarHBondContact O-N 3.15Å; N135-V137 PolarHBondContact OD1-N 3.21Å; N135-D138 PolarHBondContact ND2-OD2 3.35Å; N135-D138 PolarHBondContact O-N 2.92Å; N135-D138 PolarHBondContact OD1-N 3.01Å; N135-I139 WeakPolarHBondContact O-CG1 3.43Å; N135-I139 PolarHBondContact O-N 3.11Å; N135-I139 VanDerWaalsContact O-N 3.08Å
136	T	95.3	Very high	96	Very high	61 Å²	61	48.5 Å²	48.5	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-61.2	-28	-179.3	59.3	0	0	0	0	113.7	E134 K140 W166	E134-T136 PolarHBondContact O-N 3.42Å; T136-K140 WeakPolarHBondContact O-CG 3.49Å; T136-K140 PolarHBondContact O-N 3.42Å; T136-W166 HydrophobicContact CG2-CH2 3.93Å; T136-W166 HydrophobicContact CG2-CZ3 3.81Å
137	V	97.1	Very high	95.8	Very high	104 Å²	104	49.6 Å²	49.6	63%	0.63	26%	0.26	S	S	*	.	H	α-helix	trans	-66	-51.5	178.5	177.4	0	0	0	0	109.9	N135 I139 K140 A141	N135-V137 PolarHBondContact O-N 3.15Å; N135-V137 PolarHBondContact OD1-N 3.21Å; V137-I139 PolarHBondContact O-N 3.28Å; V137-K140 PolarHBondContact O-N 3.15Å; V137-A141 WeakPolarHBondContact O-CB 3.45Å; V137-A141 PolarHBondContact O-N 3.4Å
138	D	96.3	Very high	95.6	Very high	62 Å²	62	54.6 Å²	54.6	33%	0.332	29%	0.293	S	S	.	.	H	α-helix	trans	-71.9	-29	-179.9	-78.7	-37.1	0	0	0	113	F130 N135 T142	F130-D138 HydrophobicContact CD1-CB 4.01Å; F130-D138 HydrophobicContact CD2-CB 3.77Å; F130-D138 HydrophobicContact CE1-CB 3.89Å; F130-D138 HydrophobicContact CE2-CB 3.63Å; F130-D138 HydrophobicContact CG-CB 3.97Å; F130-D138 HydrophobicContact CZ-CB 3.7Å; N135-D138 PolarHBondContact ND2-OD2 3.35Å; N135-D138 PolarHBondContact O-N 2.92Å; N135-D138 PolarHBondContact OD1-N 3.01Å; D138-T142 VanDerWaalsContact O-CB 3.23Å; D138-T142 WeakPolarHBondContact O-CB 3.3Å; D138-T142 PolarHBondContact O-N 2.96Å; D138-T142 PolarHBondContact O-OG1 3.08Å
139	I	96.8	Very high	95.4	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-57.9	-58.1	168.3	-68.3	168.7	0	0	0	109.3	F130 V131 N135 V137 A141 T142 L143 C163 W166 M167	F130-I139 HydrophobicContact CB-CD1 4.19Å; F130-I139 HydrophobicContact CB-CG1 3.5Å; V131-I139 HydrophobicContact CG2-CD1 3.73Å; N135-I139 WeakPolarHBondContact O-CG1 3.43Å; N135-I139 PolarHBondContact O-N 3.11Å; N135-I139 VanDerWaalsContact O-N 3.08Å; V137-I139 PolarHBondContact O-N 3.28Å; I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 PolarHBondContact O-N 3.16Å; I139-T142 PolarHBondContact O-N 3.08Å; I139-T142 VanDerWaalsContact O-N 3.1Å; I139-L143 HydrophobicContact CG2-CD1 3.69Å; I139-L143 HydrophobicContact CG2-CG 4.17Å; I139-L143 WeakPolarHBondContact O-CB 3.45Å; I139-L143 VanDerWaalsContact O-CG 3.28Å; I139-L143 WeakPolarHBondContact O-CG 3.31Å; I139-L143 PolarHBondContact O-N 3.3Å; I139-C163 HydrophobicContact CG2-CB 4.1Å; I139-W166 HydrophobicContact CD1-CE3 4.04Å; I139-W166 HydrophobicContact CD1-CZ3 3.66Å; I139-M167 HydrophobicContact CG2-SD 3.93Å
140	K	96.6	Very high	95.3	Very high	125 Å²	125	59.2 Å²	59.2	54%	0.543	33%	0.325	S	S	.	.	H	α-helix	trans	-58.8	-43	-178.3	-72.2	175.8	-178.3	-178.8	0	111.9	T136 V137 T142 L143 S144 M167	T136-K140 WeakPolarHBondContact O-CG 3.49Å; T136-K140 PolarHBondContact O-N 3.42Å; V137-K140 PolarHBondContact O-N 3.15Å; K140-T142 VanDerWaalsContact C-N 3.32Å; K140-T142 PolarHBondContact O-N 3.34Å; K140-L143 PolarHBondContact O-N 2.59Å; K140-S144 PolarHBondContact O-N 3.45Å; K140-S144 PolarHBondContact O-OG 3.39Å; K140-M167 HydrophobicContact CG-CE 4.29Å
141	A	96.4	Very high	95.1	Very high	22 Å²	22	65.2 Å²	65.2	18%	0.182	35%	0.346	C	S	.	.	H	α-helix	trans	-67.6	-31.1	178.5	0	0	0	0	0	113.1	V137 I139 S144 R145	V137-A141 WeakPolarHBondContact O-CB 3.45Å; V137-A141 PolarHBondContact O-N 3.4Å; I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 PolarHBondContact O-N 3.16Å; A141-S144 PolarHBondContact O-OG 3.07Å; A141-S144 VanDerWaalsContact O-OG 3.11Å; A141-R145 VanDerWaalsContact O-CG 3.32Å; A141-R145 WeakPolarHBondContact O-CG 3.33Å
142	T	95	Very high	95	Very high	8 Å²	8	71.3 Å²	71.3	5%	0.049	38%	0.379	C	S	.	.	H	α-helix	trans	-75.5	-46.3	175.1	-58.4	0	0	0	0	110.3	L127 D138 I139 K140 S144 R145 I146	L127-T142 HydrophobicContact CD2-CG2 3.63Å; L127-T142 HydrophobicContact CG-CG2 3.99Å; D138-T142 VanDerWaalsContact O-CB 3.23Å; D138-T142 WeakPolarHBondContact O-CB 3.3Å; D138-T142 PolarHBondContact O-N 2.96Å; D138-T142 PolarHBondContact O-OG1 3.08Å; I139-T142 PolarHBondContact O-N 3.08Å; I139-T142 VanDerWaalsContact O-N 3.1Å; K140-T142 VanDerWaalsContact C-N 3.32Å; K140-T142 PolarHBondContact O-N 3.34Å; T142-S144 VanDerWaalsContact C-N 3.28Å; T142-S144 PolarHBondContact O-N 2.69Å; T142-R145 PolarHBondContact O-N 3.18Å; T142-I146 WeakPolarHBondContact O-CG1 3.35Å; T142-I146 PolarHBondContact O-N 3.03Å
143	L	96	Very high	95	Very high	52 Å²	52	69.4 Å²	69.4	27%	0.272	38%	0.375	S	S	.	.	H	α-helix	trans	-56.4	-40.6	177.9	-69.5	175.9	0	0	0	112.2	L127 I139 K140 R145 I146 C160	L127-L143 HydrophobicContact CD1-CD2 4.24Å; L127-L143 HydrophobicContact CD2-CD2 4Å; L127-L143 HydrophobicContact CD2-CG 4.16Å; I139-L143 HydrophobicContact CG2-CD1 3.69Å; I139-L143 HydrophobicContact CG2-CG 4.17Å; I139-L143 WeakPolarHBondContact O-CB 3.45Å; I139-L143 VanDerWaalsContact O-CG 3.28Å; I139-L143 WeakPolarHBondContact O-CG 3.31Å; I139-L143 PolarHBondContact O-N 3.3Å; K140-L143 PolarHBondContact O-N 2.59Å; L143-R145 VanDerWaalsContact C-N 3.26Å; L143-R145 PolarHBondContact O-N 2.97Å; L143-I146 HydrophobicContact CD2-CD1 3.83Å; L143-I146 PolarHBondContact O-N 3.19Å; L143-C160 HydrophobicContact CD2-CB 4.27Å; L143-C160 VanDerWaalsContact CD2-SG 3.56Å
144	S	95.6	Very high	95	Very high	92 Å²	92	70.7 Å²	70.7	64%	0.643	38%	0.383	S	S	*	.	H	α-helix	trans	-68.8	-22.6	178.8	67.8	0	0	0	0	114.1	K140 A141 T142	K140-S144 PolarHBondContact O-N 3.45Å; K140-S144 PolarHBondContact O-OG 3.39Å; A141-S144 PolarHBondContact O-OG 3.07Å; A141-S144 VanDerWaalsContact O-OG 3.11Å; T142-S144 VanDerWaalsContact C-N 3.28Å; T142-S144 PolarHBondContact O-N 2.69Å
145	R	94.1	Very high	95	Very high	158 Å²	158	70.3 Å²	70.3	60%	0.596	38%	0.378	S	S	*	.	H	α-helix	trans	-95.7	-3.3	179.7	-64.7	178.9	-161.1	132.5	0.8	113.7	A141 T142 L143 T147	A141-R145 VanDerWaalsContact O-CG 3.32Å; A141-R145 WeakPolarHBondContact O-CG 3.33Å; T142-R145 PolarHBondContact O-N 3.18Å; L143-R145 VanDerWaalsContact C-N 3.26Å; L143-R145 PolarHBondContact O-N 2.97Å; R145-T147 PolarHBondContact O-N 2.95Å; R145-T147 VanDerWaalsContact O-N 3.16Å
146	I	94.5	Very high	95	Very high	11 Å²	11	68 Å²	68	6%	0.056	37%	0.366	C	S	.	.			trans	-63.1	119.5	179.5	-62.2	178.6	0	0	0	109.2	L127 T142 L143 Q150 R151 V156 C160	L127-I146 HydrophobicContact CD1-CD1 4.17Å; T142-I146 WeakPolarHBondContact O-CG1 3.35Å; T142-I146 PolarHBondContact O-N 3.03Å; L143-I146 HydrophobicContact CD2-CD1 3.83Å; L143-I146 PolarHBondContact O-N 3.19Å; I146-Q150 HydrophobicContact CG2-CB 3.72Å; I146-R151 HydrophobicContact CG2-CG 3.55Å; I146-V156 HydrophobicContact CD1-CG1 3.84Å; I146-V156 HydrophobicContact CG2-CG1 3.87Å; I146-C160 WeakPolarHBondContact CD1-SG 3.34Å
147	T	93.2	Very high	95.1	Very high	61 Å²	61	69 Å²	69	37%	0.374	37%	0.367	S	S	.	.			trans	-72.5	156.6	-179.4	71.8	0	0	0	0	111.1	R145 S149 Q150 R151	R145-T147 PolarHBondContact O-N 2.95Å; R145-T147 VanDerWaalsContact O-N 3.16Å; T147-S149 PolarHBondContact O-N 3.35Å; T147-Q150 PolarHBondContact O-N 2.96Å; T147-Q150 WeakPolarHBondContact OG1-CG 3.48Å; T147-Q150 PolarHBondContact OG1-N 3.05Å; T147-R151 PolarHBondContact O-N 3.39Å
148	P	93	Very high	95	Very high	105 Å²	105	64.6 Å²	64.6	68%	0.682	34%	0.339	S	S	*	.	H	α-helix	trans	-54.5	-38	175.6	-27.5	35.8	0	0	0	113.2	R151	P148-R151 PolarHBondContact O-N 3.14Å
149	S	92	Very high	95	Very high	93 Å²	93	61.7 Å²	61.7	65%	0.65	32%	0.323	S	S	*	.	H	α-helix	trans	-63	-42.7	176.2	-171.2	0	0	0	0	112.2	T147 R151 N152	T147-S149 PolarHBondContact O-N 3.35Å; S149-R151 VanDerWaalsContact C-N 3.35Å; S149-N152 PolarHBondContact O-N 2.87Å
150	Q	94.1	Very high	95	Very high	17 Å²	17	63.3 Å²	63.3	8%	0.079	33%	0.334	C	S	.	.	H	α-helix	trans	-67	-35.1	178.2	-72.7	168.5	-17.3	0	0	111.9	E119 I146 T147 N152 S153 V156	E119-Q150 PolarHBondContact OE1-NE2 3.11Å; I146-Q150 HydrophobicContact CG2-CB 3.72Å; T147-Q150 PolarHBondContact O-N 2.96Å; T147-Q150 WeakPolarHBondContact OG1-CG 3.48Å; T147-Q150 PolarHBondContact OG1-N 3.05Å; Q150-N152 PolarHBondContact O-N 3.28Å; Q150-S153 VanDerWaalsContact O-CB 3.28Å; Q150-S153 WeakPolarHBondContact O-CB 3.13Å; Q150-S153 PolarHBondContact O-N 3.14Å; Q150-V156 HydrophobicContact CB-CG2 4.42Å; Q150-V156 WeakPolarHBondContact O-CB 3.05Å
151	R	93.5	Very high	95	Very high	148 Å²	148	62 Å²	62	56%	0.558	33%	0.33	S	S	*	.	H	α-helix	trans	-61.5	-22.6	177.5	-67.9	-173.3	-169.4	-176.7	0.2	113.6	I146 T147 P148 S149 S153 Q157	I146-R151 HydrophobicContact CG2-CG 3.55Å; T147-R151 PolarHBondContact O-N 3.39Å; P148-R151 PolarHBondContact O-N 3.14Å; S149-R151 VanDerWaalsContact C-N 3.35Å; R151-S153 VanDerWaalsContact C-N 3.29Å; R151-Q157 WeakPolarHBondContact O-CG 3.39Å; R151-Q157 PolarHBondContact O-NE2 2.56Å
152	N	94.1	Very high	95	Very high	129 Å²	129	61 Å²	61	69%	0.69	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-10.6	175.8	-66.6	-26.5	0	0	0	112.9	S149 Q150	S149-N152 PolarHBondContact O-N 2.87Å; Q150-N152 PolarHBondContact O-N 3.28Å
153	S	95	Very high	95	Very high	20 Å²	20	60.6 Å²	60.6	14%	0.14	32%	0.319	C	S	.	.			trans	-77	128.5	177	-175.6	0	0	0	0	111.1	C120 Q150 R151 Y155 V156 Q157	C120-S153 WeakPolarHBondContact CB-OG 3.31Å; Q150-S153 VanDerWaalsContact O-CB 3.28Å; Q150-S153 WeakPolarHBondContact O-CB 3.13Å; Q150-S153 PolarHBondContact O-N 3.14Å; R151-S153 VanDerWaalsContact C-N 3.29Å; S153-Y155 PolarHBondContact O-N 3.22Å; S153-Y155 WeakPolarHBondContact OG-CD2 3.32Å; S153-Y155 PolarHBondContact OG-N 2.74Å; S153-V156 PolarHBondContact O-N 2.96Å; S153-V156 VanDerWaalsContact O-N 3.14Å; S153-Q157 WeakPolarHBondContact O-CG 3.48Å; S153-Q157 PolarHBondContact O-N 2.61Å
154	T	95	Very high	95	Very high	91 Å²	91	63.4 Å²	63.4	56%	0.558	33%	0.331	S	S	*	.	H	α-helix	trans	-57.2	-32.8	173.8	53.2	0	0	0	0	112.4	F158	T154-F158 VanDerWaalsContact O-CB 3.27Å; T154-F158 WeakPolarHBondContact O-CB 3.43Å; T154-F158 PolarHBondContact O-N 3.16Å
155	Y	95.6	Very high	95	Very high	67 Å²	67	59.2 Å²	59.2	26%	0.263	30%	0.302	S	S	.	.	H	α-helix	trans	-63.7	-47.3	176.1	-50.9	-45.9	0	0	0	112.2	C120 E121 A124 S153 A159 P183 K184	C120-Y155 HydrophobicContact CB-CD2 4.46Å; E121-Y155 HydrophobicContact CB-CD2 4.26Å; A124-Y155 VanDerWaalsContact CB-O 3.25Å; A124-Y155 WeakPolarHBondContact CB-O 2.78Å; S153-Y155 PolarHBondContact O-N 3.22Å; S153-Y155 WeakPolarHBondContact OG-CD2 3.32Å; S153-Y155 PolarHBondContact OG-N 2.74Å; Y155-A159 PolarHBondContact O-N 2.89Å; Y155-P183 HydrophobicContact CD1-CB 3.58Å; Y155-P183 HydrophobicContact CD1-CG 3.8Å; Y155-P183 HydrophobicContact CE1-CB 3.82Å; Y155-K184 HydrophobicContact CE1-CD 3.97Å; Y155-K184 HydrophobicContact CE1-CG 4.03Å; Y155-K184 HydrophobicContact CE2-CD 4.46Å; Y155-K184 WeakPolarHBondContact OH-CE 3.35Å
156	V	96.4	Very high	95.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-71.8	-41.4	-177.6	176.2	0	0	0	0	110.2	C120 V123 I146 Q150 S153 F158 A159 C160	C120-V156 HydrophobicContact CB-CG2 3.94Å; C120-V156 WeakPolarHBondContact O-CG2 3.36Å; V123-V156 HydrophobicContact CB-CG2 4.4Å; V123-V156 HydrophobicContact CG1-CG2 4.22Å; I146-V156 HydrophobicContact CD1-CG1 3.84Å; I146-V156 HydrophobicContact CG2-CG1 3.87Å; Q150-V156 HydrophobicContact CB-CG2 4.42Å; Q150-V156 WeakPolarHBondContact O-CB 3.05Å; S153-V156 PolarHBondContact O-N 2.96Å; S153-V156 VanDerWaalsContact O-N 3.14Å; V156-F158 PolarHBondContact O-N 2.98Å; V156-A159 PolarHBondContact O-N 3.42Å; V156-C160 WeakPolarHBondContact O-CB 3.35Å; V156-C160 PolarHBondContact O-N 3.44Å; V156-C160 PolarHBondContact O-SG 3.43Å
157	Q	95.9	Very high	95.1	Very high	84 Å²	84	56.3 Å²	56.3	39%	0.393	30%	0.295	S	S	.	.	H	α-helix	trans	-57.6	-49.3	174.7	-70.9	176	-1.4	0	0	111.5	R151 S153 A159 C160 Q161	R151-Q157 WeakPolarHBondContact O-CG 3.39Å; R151-Q157 PolarHBondContact O-NE2 2.56Å; S153-Q157 WeakPolarHBondContact O-CG 3.48Å; S153-Q157 PolarHBondContact O-N 2.61Å; Q157-A159 PolarHBondContact O-N 3.15Å; Q157-C160 PolarHBondContact O-N 3.2Å; Q157-Q161 WeakPolarHBondContact O-CG 3.33Å; Q157-Q161 PolarHBondContact O-N 3.35Å
158	F	96.4	Very high	95.1	Very high	11 Å²	11	59.3 Å²	59.3	5%	0.048	31%	0.306	C	S	.	.	H	α-helix	trans	-56.2	-49.9	176	173.6	-94.2	0	0	0	111.7	L128 T154 V156 C160 Q161 F162 L177 D181 P183 I190	L128-F158 HydrophobicContact CD1-CE1 4.37Å; T154-F158 VanDerWaalsContact O-CB 3.27Å; T154-F158 WeakPolarHBondContact O-CB 3.43Å; T154-F158 PolarHBondContact O-N 3.16Å; V156-F158 PolarHBondContact O-N 2.98Å; F158-C160 VanDerWaalsContact C-N 3.33Å; F158-C160 PolarHBondContact O-N 3.47Å; F158-Q161 PolarHBondContact O-N 3.03Å; F158-F162 WeakPolarHBondContact O-CB 3.26Å; F158-F162 PolarHBondContact O-N 3Å; F158-L177 HydrophobicContact CD2-CD2 4.28Å; F158-L177 HydrophobicContact CE2-CB 3.99Å; F158-L177 HydrophobicContact CE2-CD2 4.19Å; F158-L177 WeakPolarHBondContact CE2-O 3.49Å; F158-L177 HydrophobicContact CZ-CB 4.48Å; F158-D181 HydrophobicContact CD2-CB 3.91Å; F158-D181 VanDerWaalsContact CD2-O 3.24Å; F158-D181 WeakPolarHBondContact CD2-O 3.47Å; F158-D181 VanDerWaalsContact CE2-C 3.48Å; F158-D181 HydrophobicContact CE2-CB 3.85Å; F158-D181 WeakPolarHBondContact CE2-O 3.45Å; F158-P183 HydrophobicContact CB-CG 4.25Å; F158-P183 HydrophobicContact CD1-CG 3.98Å; F158-P183 HydrophobicContact CG-CG 4.09Å; F158-I190 HydrophobicContact CE1-CD1 3.45Å; F158-I190 VanDerWaalsContact CE1-CD1 3.45Å; F158-I190 HydrophobicContact CZ-CD1 3.43Å; F158-I190 VanDerWaalsContact CZ-CD1 3.43Å
159	A	96.8	Very high	95.1	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-37.1	179.6	0	0	0	0	0	112.7	A124 L127 L128 Y155 V156 Q157 F162 C163	A124-A159 HydrophobicContact CB-CB 3.78Å; L127-A159 HydrophobicContact CB-CB 4.05Å; L127-A159 HydrophobicContact CD1-CB 3.99Å; L128-A159 HydrophobicContact CD2-CB 4.4Å; L128-A159 HydrophobicContact CG-CB 4.23Å; Y155-A159 PolarHBondContact O-N 2.89Å; V156-A159 PolarHBondContact O-N 3.42Å; Q157-A159 PolarHBondContact O-N 3.15Å; A159-F162 PolarHBondContact O-N 2.97Å; A159-C163 WeakPolarHBondContact O-CB 3.24Å; A159-C163 PolarHBondContact O-N 3.24Å; A159-C163 PolarHBondContact O-SG 3.44Å
160	C	96.4	Very high	95.2	Very high	34 Å²	34	54.5 Å²	54.5	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-48.9	175.1	-67.8	0	0	0	0	111.4	L143 I146 V156 Q157 F158 F162 C163 E164	L143-C160 HydrophobicContact CD2-CB 4.27Å; L143-C160 VanDerWaalsContact CD2-SG 3.56Å; I146-C160 WeakPolarHBondContact CD1-SG 3.34Å; V156-C160 WeakPolarHBondContact O-CB 3.35Å; V156-C160 PolarHBondContact O-N 3.44Å; V156-C160 PolarHBondContact O-SG 3.43Å; Q157-C160 PolarHBondContact O-N 3.2Å; F158-C160 VanDerWaalsContact C-N 3.33Å; F158-C160 PolarHBondContact O-N 3.47Å; C160-F162 VanDerWaalsContact C-N 3.27Å; C160-F162 PolarHBondContact O-N 2.81Å; C160-C163 WeakPolarHBondContact O-CB 3.44Å; C160-C163 PolarHBondContact O-N 3.42Å; C160-E164 WeakPolarHBondContact O-CB 3.36Å; C160-E164 PolarHBondContact O-N 3.31Å
161	Q	95.8	Very high	95	Very high	99 Å²	99	55.5 Å²	55.5	46%	0.463	28%	0.28	S	S	.	.	H	α-helix	trans	-59.6	-39.7	176.5	-70.4	176	11.1	0	0	111.5	Q157 F158 E164 A165 L177	Q157-Q161 WeakPolarHBondContact O-CG 3.33Å; Q157-Q161 PolarHBondContact O-N 3.35Å; F158-Q161 PolarHBondContact O-N 3.03Å; Q161-E164 PolarHBondContact O-N 2.71Å; Q161-A165 WeakPolarHBondContact O-CB 3.43Å; Q161-A165 PolarHBondContact O-N 3.26Å; Q161-L177 HydrophobicContact CB-CD1 4.09Å; Q161-L177 HydrophobicContact CB-CD2 4.48Å
162	F	96.5	Very high	94.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.9	-45.7	176.2	-166.5	-86.3	0	0	0	112	L128 V131 F158 A159 C160 E164 W166 L174 L177 I190 V193	L128-F162 HydrophobicContact CD2-CB 3.88Å; L128-F162 HydrophobicContact CD2-CD1 3.46Å; L128-F162 VanDerWaalsContact CD2-CD1 3.46Å; L128-F162 HydrophobicContact CD2-CE1 4.17Å; L128-F162 HydrophobicContact CD2-CG 3.72Å; V131-F162 HydrophobicContact CG1-CD1 4.36Å; V131-F162 HydrophobicContact CG1-CE1 3.88Å; F158-F162 WeakPolarHBondContact O-CB 3.26Å; F158-F162 PolarHBondContact O-N 3Å; A159-F162 PolarHBondContact O-N 2.97Å; C160-F162 VanDerWaalsContact C-N 3.27Å; C160-F162 PolarHBondContact O-N 2.81Å; F162-E164 VanDerWaalsContact C-N 3.33Å; F162-E164 PolarHBondContact O-N 3.14Å; F162-W166 WeakPolarHBondContact O-CB 3.32Å; F162-W166 PolarHBondContact O-N 2.89Å; F162-L174 HydrophobicContact CD1-CD2 4.2Å; F162-L174 HydrophobicContact CD2-CD2 4Å; F162-L174 HydrophobicContact CE1-CD2 3.98Å; F162-L174 HydrophobicContact CE2-CD2 3.75Å; F162-L174 HydrophobicContact CG-CD2 4.21Å; F162-L174 HydrophobicContact CZ-CD2 3.73Å; F162-L174 WeakPolarHBondContact O-CD2 3.03Å; F162-L177 HydrophobicContact CB-CD1 4.25Å; F162-L177 HydrophobicContact CD2-CB 4.19Å; F162-L177 HydrophobicContact CD2-CD1 4.28Å; F162-I190 HydrophobicContact CD2-CD1 3.95Å; F162-I190 HydrophobicContact CD2-CG1 4.23Å; F162-I190 HydrophobicContact CE1-CG1 4.2Å; F162-I190 HydrophobicContact CE2-CB 4.35Å; F162-I190 HydrophobicContact CE2-CD1 3.9Å; F162-I190 HydrophobicContact CE2-CG1 3.83Å; F162-I190 HydrophobicContact CE2-CG2 3.55Å; F162-I190 HydrophobicContact CZ-CB 4.24Å; F162-I190 HydrophobicContact CZ-CD1 4.4Å; F162-I190 HydrophobicContact CZ-CG1 3.82Å; F162-I190 HydrophobicContact CZ-CG2 3.55Å; F162-V193 HydrophobicContact CE1-CG1 4.24Å; F162-V193 HydrophobicContact CZ-CG1 4.29Å
163	C	96.3	Very high	94.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.8	-44.2	174	-73.8	0	0	0	0	111.9	V131 I139 A159 C160 W166 M167	V131-C163 HydrophobicContact CG2-CB 4.35Å; V131-C163 VanDerWaalsContact CG2-SG 3.51Å; I139-C163 HydrophobicContact CG2-CB 4.1Å; A159-C163 WeakPolarHBondContact O-CB 3.24Å; A159-C163 PolarHBondContact O-N 3.24Å; A159-C163 PolarHBondContact O-SG 3.44Å; C160-C163 WeakPolarHBondContact O-CB 3.44Å; C160-C163 PolarHBondContact O-N 3.42Å; C163-W166 PolarHBondContact O-N 3.09Å; C163-M167 WeakPolarHBondContact O-CB 3.28Å; C163-M167 VanDerWaalsContact O-CG 3.28Å; C163-M167 WeakPolarHBondContact O-CG 3.47Å; C163-M167 PolarHBondContact O-N 3.42Å
164	E	95.6	Very high	94.7	Very high	111 Å²	111	53.2 Å²	53.2	52%	0.519	26%	0.264	S	S	.	.	H	α-helix	trans	-63.7	-49.2	-179	-153.8	-165.1	158.7	0	0	111.4	C160 Q161 F162 W166 M167 M168	C160-E164 WeakPolarHBondContact O-CB 3.36Å; C160-E164 PolarHBondContact O-N 3.31Å; Q161-E164 PolarHBondContact O-N 2.71Å; F162-E164 VanDerWaalsContact C-N 3.33Å; F162-E164 PolarHBondContact O-N 3.14Å; E164-W166 VanDerWaalsContact C-N 3.26Å; E164-W166 PolarHBondContact O-N 3.41Å; E164-M167 PolarHBondContact O-N 3.34Å; E164-M168 HydrophobicContact CB-CE 4.38Å; E164-M168 HydrophobicContact CG-CE 3.41Å; E164-M168 VanDerWaalsContact CG-CE 3.41Å; E164-M168 WeakPolarHBondContact O-CG 3.32Å; E164-M168 PolarHBondContact O-N 2.97Å; E164-M168 WeakPolarHBondContact OE1-CE 3.5Å
165	A	95.6	Very high	94.6	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.033	25%	0.25	C	S	.	.	H	α-helix	trans	-59.8	-37.6	175.5	0	0	0	0	0	111.9	Q161 G169 N170 T173 L174 L177	Q161-A165 WeakPolarHBondContact O-CB 3.43Å; Q161-A165 PolarHBondContact O-N 3.26Å; A165-G169 PolarHBondContact O-N 3.42Å; A165-N170 HydrophobicContact CB-CB 4.45Å; A165-N170 PolarHBondContact O-N 2.9Å; A165-T173 HydrophobicContact CB-CG2 3.76Å; A165-L174 HydrophobicContact CB-CD2 3.81Å; A165-L174 HydrophobicContact CB-CG 3.9Å; A165-L177 HydrophobicContact CB-CD1 4.5Å
166	W	96	Very high	94.5	Very high	23 Å²	23	53.5 Å²	53.5	9%	0.087	26%	0.26	C	S	.	.	H	α-helix	trans	-67.6	-47.7	176.8	-179.9	74.2	0	0	0	112.3	V131 E134 T136 I139 F162 C163 E164 M168 G169 L174 E197	V131-W166 HydrophobicContact CB-CD2 4.4Å; V131-W166 HydrophobicContact CB-CE3 4.49Å; V131-W166 HydrophobicContact CG1-CB 4Å; V131-W166 HydrophobicContact CG1-CD2 3.57Å; V131-W166 HydrophobicContact CG1-CE3 4.12Å; V131-W166 HydrophobicContact CG1-CG 3.46Å; V131-W166 VanDerWaalsContact CG1-CG 3.46Å; V131-W166 HydrophobicContact CG2-CD2 4.36Å; V131-W166 HydrophobicContact CG2-CE3 4.1Å; E134-W166 HydrophobicContact CB-CH2 4.02Å; E134-W166 HydrophobicContact CB-CZ2 4.03Å; E134-W166 HydrophobicContact CG-CH2 4.41Å; E134-W166 HydrophobicContact CG-CZ2 3.92Å; T136-W166 HydrophobicContact CG2-CH2 3.93Å; T136-W166 HydrophobicContact CG2-CZ3 3.81Å; I139-W166 HydrophobicContact CD1-CE3 4.04Å; I139-W166 HydrophobicContact CD1-CZ3 3.66Å; F162-W166 WeakPolarHBondContact O-CB 3.32Å; F162-W166 PolarHBondContact O-N 2.89Å; C163-W166 PolarHBondContact O-N 3.09Å; E164-W166 VanDerWaalsContact C-N 3.26Å; E164-W166 PolarHBondContact O-N 3.41Å; W166-M168 VanDerWaalsContact C-N 3.27Å; W166-M168 PolarHBondContact O-N 3.39Å; W166-G169 PolarHBondContact O-N 2.95Å; W166-L174 HydrophobicContact CB-CD1 4.36Å; W166-L174 HydrophobicContact CB-CD2 3.88Å; W166-E197 PolarHBondContact NE1-OE1 3.47Å
167	M	94.2	Very high	94.3	Very high	84 Å²	84	53.8 Å²	53.8	41%	0.414	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-32.5	179.4	-72.8	177.3	62.7	0	0	112.8	I139 K140 C163 E164 G169	I139-M167 HydrophobicContact CG2-SD 3.93Å; K140-M167 HydrophobicContact CG-CE 4.29Å; C163-M167 WeakPolarHBondContact O-CB 3.28Å; C163-M167 VanDerWaalsContact O-CG 3.28Å; C163-M167 WeakPolarHBondContact O-CG 3.47Å; C163-M167 PolarHBondContact O-N 3.42Å; E164-M167 PolarHBondContact O-N 3.34Å; M167-G169 VanDerWaalsContact C-N 3.31Å
168	M	93.7	Very high	93.9	Very high	124 Å²	124	53.6 Å²	53.6	61%	0.611	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-5	175.5	-70.1	-165	-113.1	0	0	114.1	E164 W166 N170	E164-M168 HydrophobicContact CB-CE 4.38Å; E164-M168 HydrophobicContact CG-CE 3.41Å; E164-M168 VanDerWaalsContact CG-CE 3.41Å; E164-M168 WeakPolarHBondContact O-CG 3.32Å; E164-M168 PolarHBondContact O-N 2.97Å; E164-M168 WeakPolarHBondContact OE1-CE 3.5Å; W166-M168 VanDerWaalsContact C-N 3.27Å; W166-M168 PolarHBondContact O-N 3.39Å; M168-N170 HydrophobicContact CB-CB 4.41Å; M168-N170 PolarHBondContact O-N 3.44Å
169	G	92.5	Very high	93.6	Very high	35 Å²	35	63.1 Å²	63.1	36%	0.361	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	23.6	-172	0	0	0	0	0	113.3	A165 W166 M167 F171	A165-G169 PolarHBondContact O-N 3.42Å; W166-G169 PolarHBondContact O-N 2.95Å; M167-G169 VanDerWaalsContact C-N 3.31Å; G169-F171 VanDerWaalsContact C-N 3.32Å; G169-F171 VanDerWaalsContact O-CD2 3.23Å; G169-F171 WeakPolarHBondContact O-CD2 3.3Å; G169-F171 WeakPolarHBondContact O-CE2 3.46Å; G169-F171 PolarHBondContact O-N 3.29Å
170	N	93.2	Very high	92.9	Very high	63 Å²	63	68 Å²	68	34%	0.337	32%	0.319	S	S	.	.			trans	-80.2	80.1	179.7	-175.4	-13.6	0	0	0	110.4	A165 M168 R172 T173 L174	A165-N170 HydrophobicContact CB-CB 4.45Å; A165-N170 PolarHBondContact O-N 2.9Å; M168-N170 HydrophobicContact CB-CB 4.41Å; M168-N170 PolarHBondContact O-N 3.44Å; N170-R172 VanDerWaalsContact C-N 3.28Å; N170-R172 PolarHBondContact O-N 3.45Å; N170-R172 PolarHBondContact OD1-N 2.93Å; N170-T173 PolarHBondContact ND2-OG1 3.32Å; N170-T173 PolarHBondContact O-N 3.4Å; N170-T173 PolarHBondContact OD1-N 3.23Å; N170-T173 VanDerWaalsContact OD1-N 3.08Å; N170-T173 PolarHBondContact OD1-OG1 3.29Å; N170-L174 WeakPolarHBondContact O-CG 3.25Å; N170-L174 PolarHBondContact O-N 3.2Å; N170-L174 VanDerWaalsContact O-N 3.08Å
171	F	91.4	Very high	92.1	Very high	38 Å²	38	70.5 Å²	70.5	17%	0.167	33%	0.331	C	S	.	.	H	α-helix	trans	-59.7	-35.7	-177.8	-58.6	-66.4	0	0	0	113.2	G169 L174 F175 E197 R200 A201 N204	G169-F171 VanDerWaalsContact C-N 3.32Å; G169-F171 VanDerWaalsContact O-CD2 3.23Å; G169-F171 WeakPolarHBondContact O-CD2 3.3Å; G169-F171 WeakPolarHBondContact O-CE2 3.46Å; G169-F171 PolarHBondContact O-N 3.29Å; F171-L174 HydrophobicContact CD1-CD1 4.35Å; F171-L174 PolarHBondContact O-N 3.36Å; F171-F175 HydrophobicContact CB-CD2 4.27Å; F171-F175 HydrophobicContact CB-CE2 3.93Å; F171-F175 WeakPolarHBondContact O-CD2 3.49Å; F171-F175 WeakPolarHBondContact O-CG 3.41Å; F171-F175 PolarHBondContact O-N 3.12Å; F171-E197 HydrophobicContact CE1-CB 4.45Å; F171-R200 HydrophobicContact CE1-CB 4.05Å; F171-R200 HydrophobicContact CZ-CB 4.04Å; F171-A201 HydrophobicContact CB-CB 4.1Å; F171-A201 HydrophobicContact CD1-CB 3.78Å; F171-A201 HydrophobicContact CD2-CB 3.89Å; F171-A201 HydrophobicContact CE1-CB 4.15Å; F171-A201 HydrophobicContact CE2-CB 4.25Å; F171-A201 HydrophobicContact CG-CB 3.64Å; F171-A201 HydrophobicContact CZ-CB 4.37Å; F171-N204 HydrophobicContact CE2-CB 4.48Å; F171-N204 WeakPolarHBondContact CE2-ND2 3.31Å
172	R	91.3	Very high	91.6	Very high	202 Å²	202	67.3 Å²	67.3	76%	0.762	32%	0.319	S	S	*	.	H	α-helix	trans	-59.7	-52.4	178.4	172.6	177.8	-94.1	-91.3	4.1	110.8	N170 L174 F175 Q176	N170-R172 VanDerWaalsContact C-N 3.28Å; N170-R172 PolarHBondContact O-N 3.45Å; N170-R172 PolarHBondContact OD1-N 2.93Å; R172-L174 VanDerWaalsContact C-N 3.35Å; R172-L174 PolarHBondContact O-N 3.16Å; R172-F175 PolarHBondContact O-N 3.44Å; R172-Q176 WeakPolarHBondContact O-CB 3.42Å; R172-Q176 PolarHBondContact O-N 2.84Å
173	T	92.8	Very high	91.3	Very high	46 Å²	46	68.4 Å²	68.4	28%	0.282	33%	0.327	S	S	.	.	H	α-helix	trans	-64.9	-39.8	179.6	-62	0	0	0	0	111.2	A165 N170 F175 Q176 L177	A165-T173 HydrophobicContact CB-CG2 3.76Å; N170-T173 PolarHBondContact ND2-OG1 3.32Å; N170-T173 PolarHBondContact O-N 3.4Å; N170-T173 PolarHBondContact OD1-N 3.23Å; N170-T173 VanDerWaalsContact OD1-N 3.08Å; N170-T173 PolarHBondContact OD1-OG1 3.29Å; T173-F175 PolarHBondContact O-N 2.93Å; T173-Q176 PolarHBondContact O-N 2.78Å; T173-L177 HydrophobicContact CG2-CD1 3.9Å; T173-L177 HydrophobicContact CG2-CG 4.18Å; T173-L177 WeakPolarHBondContact O-CB 3.41Å; T173-L177 WeakPolarHBondContact O-CG 3.4Å; T173-L177 PolarHBondContact O-N 3Å
174	L	92.1	Very high	91.1	Very high	1 Å²	1	72.7 Å²	72.7	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-56.7	-49	175.5	-74	172.5	0	0	0	113	F162 A165 W166 N170 F171 R172 Q176 Y178	F162-L174 HydrophobicContact CD1-CD2 4.2Å; F162-L174 HydrophobicContact CD2-CD2 4Å; F162-L174 HydrophobicContact CE1-CD2 3.98Å; F162-L174 HydrophobicContact CE2-CD2 3.75Å; F162-L174 HydrophobicContact CG-CD2 4.21Å; F162-L174 HydrophobicContact CZ-CD2 3.73Å; F162-L174 WeakPolarHBondContact O-CD2 3.03Å; A165-L174 HydrophobicContact CB-CD2 3.81Å; A165-L174 HydrophobicContact CB-CG 3.9Å; W166-L174 HydrophobicContact CB-CD1 4.36Å; W166-L174 HydrophobicContact CB-CD2 3.88Å; N170-L174 WeakPolarHBondContact O-CG 3.25Å; N170-L174 PolarHBondContact O-N 3.2Å; N170-L174 VanDerWaalsContact O-N 3.08Å; F171-L174 HydrophobicContact CD1-CD1 4.35Å; F171-L174 PolarHBondContact O-N 3.36Å; R172-L174 VanDerWaalsContact C-N 3.35Å; R172-L174 PolarHBondContact O-N 3.16Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; L174-Y178 PolarHBondContact O-N 2.75Å; L174-Y178 VanDerWaalsContact O-N 3.12Å
175	F	91.8	Very high	91	Very high	62 Å²	62	68.9 Å²	68.9	27%	0.272	33%	0.328	S	S	.	.	H	α-helix	trans	-70.1	-32.4	-179.5	-67.4	-55.2	0	0	0	112.4	F171 R172 T173 R179 L194 R198 A201	F171-F175 HydrophobicContact CB-CD2 4.27Å; F171-F175 HydrophobicContact CB-CE2 3.93Å; F171-F175 WeakPolarHBondContact O-CD2 3.49Å; F171-F175 WeakPolarHBondContact O-CG 3.41Å; F171-F175 PolarHBondContact O-N 3.12Å; R172-F175 PolarHBondContact O-N 3.44Å; T173-F175 PolarHBondContact O-N 2.93Å; F175-R179 WeakPolarHBondContact O-CB 3.43Å; F175-R179 PolarHBondContact O-N 3.49Å; F175-L194 HydrophobicContact CD1-CD1 4.41Å; F175-L194 HydrophobicContact CD1-CD2 3.86Å; F175-L194 HydrophobicContact CE1-CD2 3.76Å; F175-R198 HydrophobicContact CE1-CG 3.59Å; F175-R198 HydrophobicContact CZ-CB 4.4Å; F175-R198 HydrophobicContact CZ-CG 3.63Å; F175-A201 HydrophobicContact CE2-CB 4.33Å
176	Q	93	Very high	90.9	Very high	102 Å²	102	68.8 Å²	68.8	48%	0.477	33%	0.327	S	S	.	.	H	α-helix	trans	-66.3	-48.8	174.5	-177.4	174.6	-7.4	0	0	111.8	R172 T173 L174 Y178 R179 N180	R172-Q176 WeakPolarHBondContact O-CB 3.42Å; R172-Q176 PolarHBondContact O-N 2.84Å; T173-Q176 PolarHBondContact O-N 2.78Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; Q176-Y178 VanDerWaalsContact C-N 3.29Å; Q176-Y178 PolarHBondContact O-N 2.91Å; Q176-R179 PolarHBondContact O-N 2.98Å; Q176-R179 VanDerWaalsContact O-N 3.12Å; Q176-N180 PolarHBondContact O-N 3.46Å; Q176-N180 VanDerWaalsContact O-N 3.11Å
177	L	92.3	Very high	90.7	Very high	7 Å²	7	69.8 Å²	69.8	4%	0.037	34%	0.338	C	S	.	.	H	α-helix	trans	-58.3	-42.2	177.6	-74.5	172.1	0	0	0	111.6	F158 Q161 F162 A165 T173 R179 D181	F158-L177 HydrophobicContact CD2-CD2 4.28Å; F158-L177 HydrophobicContact CE2-CB 3.99Å; F158-L177 HydrophobicContact CE2-CD2 4.19Å; F158-L177 WeakPolarHBondContact CE2-O 3.49Å; F158-L177 HydrophobicContact CZ-CB 4.48Å; Q161-L177 HydrophobicContact CB-CD1 4.09Å; Q161-L177 HydrophobicContact CB-CD2 4.48Å; F162-L177 HydrophobicContact CB-CD1 4.25Å; F162-L177 HydrophobicContact CD2-CB 4.19Å; F162-L177 HydrophobicContact CD2-CD1 4.28Å; A165-L177 HydrophobicContact CB-CD1 4.5Å; T173-L177 HydrophobicContact CG2-CD1 3.9Å; T173-L177 HydrophobicContact CG2-CG 4.18Å; T173-L177 WeakPolarHBondContact O-CB 3.41Å; T173-L177 WeakPolarHBondContact O-CG 3.4Å; T173-L177 PolarHBondContact O-N 3Å; L177-R179 VanDerWaalsContact C-N 3.35Å; L177-R179 PolarHBondContact O-N 3Å; L177-D181 PolarHBondContact O-N 3.37Å
178	Y	88.9	Confident	90.6	Very high	80 Å²	80	67.7 Å²	67.7	31%	0.314	33%	0.331	S	S	.	.	H	α-helix	trans	-60.6	-43	175.7	173.4	-111.4	0	0	0	113	L174 Q176 I190 L194	L174-Y178 PolarHBondContact O-N 2.75Å; L174-Y178 VanDerWaalsContact O-N 3.12Å; Q176-Y178 VanDerWaalsContact C-N 3.29Å; Q176-Y178 PolarHBondContact O-N 2.91Å; Y178-I190 HydrophobicContact CD2-CB 3.91Å; Y178-I190 HydrophobicContact CD2-CG2 3.31Å; Y178-I190 HydrophobicContact CE2-CB 4.4Å; Y178-I190 HydrophobicContact CE2-CG2 4.08Å; Y178-I190 HydrophobicContact CG-CG2 3.95Å; Y178-L194 HydrophobicContact CD1-CD1 3.28Å; Y178-L194 HydrophobicContact CD2-CD1 3.6Å; Y178-L194 HydrophobicContact CE1-CD1 3.63Å; Y178-L194 HydrophobicContact CE2-CD1 3.89Å; Y178-L194 HydrophobicContact CG-CD1 3.25Å; Y178-L194 HydrophobicContact CG-CG 4.45Å
179	R	88.9	Confident	90.6	Very high	210 Å²	210	61.9 Å²	61.9	79%	0.792	30%	0.302	S	S	*	.	H	α-helix	trans	-72.5	-39.1	-172.8	-171.7	-179.5	177.7	138.6	-0.2	112.7	F175 Q176 L177	F175-R179 WeakPolarHBondContact O-CB 3.43Å; F175-R179 PolarHBondContact O-N 3.49Å; Q176-R179 PolarHBondContact O-N 2.98Å; Q176-R179 VanDerWaalsContact O-N 3.12Å; L177-R179 VanDerWaalsContact C-N 3.35Å; L177-R179 PolarHBondContact O-N 3Å
180	N	82.9	Confident	90.6	Very high	102 Å²	102	60.2 Å²	60.2	55%	0.545	29%	0.285	S	S	.	.	H	α-helix	trans	-112.5	-28.7	-162.8	-63.6	-16.5	0	0	0	114	Q176	Q176-N180 PolarHBondContact O-N 3.46Å; Q176-N180 VanDerWaalsContact O-N 3.11Å
181	D	79.3	Confident	90.5	Very high	88 Å²	88	58.9 Å²	58.9	47%	0.471	28%	0.283	S	S	.	.			trans	-125.9	5.6	-159.8	-59.1	-57.4	0	0	0	113.8	F158 L177 P183	F158-D181 HydrophobicContact CD2-CB 3.91Å; F158-D181 VanDerWaalsContact CD2-O 3.24Å; F158-D181 WeakPolarHBondContact CD2-O 3.47Å; F158-D181 VanDerWaalsContact CE2-C 3.48Å; F158-D181 HydrophobicContact CE2-CB 3.85Å; F158-D181 WeakPolarHBondContact CE2-O 3.45Å; L177-D181 PolarHBondContact O-N 3.37Å; D181-P183 WeakPolarHBondContact O-CD 3.28Å
182	S	86.3	Confident	90.4	Very high	32 Å²	32	59 Å²	59	22%	0.224	29%	0.285	C	S	.	.			trans	-70.7	111.5	-172.6	-168.1	0	0	0	0	112.6	S186 S187	S182-S186 WeakPolarHBondContact OG-CB 3.43Å; S182-S187 WeakPolarHBondContact OG-CA 3.25Å; S182-S187 PolarHBondContact OG-N 3.37Å
183	P	90.2	Very high	90.4	Very high	23 Å²	23	49.4 Å²	49.4	15%	0.149	25%	0.249	C	C	.	.			trans	-88.2	144.7	-176.1	33.7	-30.2	0	0	0	111.9	Y155 F158 D181 L185 S186	Y155-P183 HydrophobicContact CD1-CB 3.58Å; Y155-P183 HydrophobicContact CD1-CG 3.8Å; Y155-P183 HydrophobicContact CE1-CB 3.82Å; F158-P183 HydrophobicContact CB-CG 4.25Å; F158-P183 HydrophobicContact CD1-CG 3.98Å; F158-P183 HydrophobicContact CG-CG 4.09Å; D181-P183 WeakPolarHBondContact O-CD 3.28Å; P183-L185 PolarHBondContact O-N 3.45Å; P183-S186 WeakPolarHBondContact O-CB 3.3Å; P183-S186 PolarHBondContact O-N 3.01Å; P183-S186 PolarHBondContact O-OG 3.48Å
184	K	91.3	Very high	90.2	Very high	90 Å²	90	47.2 Å²	47.2	39%	0.391	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-126	176.4	-63.6	-178.9	163.4	172	0	111.9	E121 Y125 Y155 S186	E121-K184 HydrophobicContact CB-CD 4.36Å; E121-K184 VanDerWaalsContact CD-CD 3.41Å; E121-K184 HydrophobicContact CG-CD 3.75Å; E121-K184 IonicContact OE2-NZ 3.2Å; E121-K184 PolarHBondContact OE2-NZ 3.32Å; Y125-K184 WeakPolarHBondContact OH-CB 3.24Å; Y155-K184 HydrophobicContact CE1-CD 3.97Å; Y155-K184 HydrophobicContact CE1-CG 4.03Å; Y155-K184 HydrophobicContact CE2-CD 4.46Å; Y155-K184 WeakPolarHBondContact OH-CE 3.35Å; K184-S186 VanDerWaalsContact C-N 3.34Å
185	L	93.1	Very high	89.9	Confident	31 Å²	31	51.7 Å²	51.7	16%	0.162	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	13	-179.3	-58.5	175.2	0	0	0	112.8	R88 L91 Q92 Y125 P183 S187 C188	R88-L185 HydrophobicContact CB-CD1 3.75Å; R88-L185 HydrophobicContact CG-CD1 3.93Å; L91-L185 HydrophobicContact CB-CD1 4.38Å; L91-L185 HydrophobicContact CD1-CB 4.22Å; Q92-L185 HydrophobicContact CG-CD1 4.12Å; Q92-L185 HydrophobicContact CG-CD2 3.85Å; Y125-L185 HydrophobicContact CE1-CB 4.24Å; Y125-L185 PolarHBondContact OH-N 3.06Å; Y125-L185 VanDerWaalsContact OH-N 3.11Å; P183-L185 PolarHBondContact O-N 3.45Å; L185-S187 PolarHBondContact O-N 3.36Å; L185-C188 WeakPolarHBondContact O-CB 3.43Å; L185-C188 PolarHBondContact O-N 3.13Å
186	S	93.2	Very high	89.9	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-31.3	178	-58	0	0	0	0	111.4	S182 P183 K184 C188 L189 I190	S182-S186 WeakPolarHBondContact OG-CB 3.43Å; P183-S186 WeakPolarHBondContact O-CB 3.3Å; P183-S186 PolarHBondContact O-N 3.01Å; P183-S186 PolarHBondContact O-OG 3.48Å; K184-S186 VanDerWaalsContact C-N 3.34Å; S186-C188 VanDerWaalsContact C-N 3.29Å; S186-C188 PolarHBondContact O-N 3.34Å; S186-L189 PolarHBondContact O-N 2.92Å; S186-I190 VanDerWaalsContact O-CG1 3.3Å; S186-I190 WeakPolarHBondContact O-CG1 3.44Å; S186-I190 PolarHBondContact O-N 3.04Å
187	S	92.4	Very high	89.8	Confident	44 Å²	44	46.5 Å²	46.5	31%	0.308	23%	0.234	S	C	.	.	H	α-helix	trans	-60.6	-36.1	176.2	54.9	0	0	0	0	112.5	S182 L185 L189 I190 A191	S182-S187 WeakPolarHBondContact OG-CA 3.25Å; S182-S187 PolarHBondContact OG-N 3.37Å; L185-S187 PolarHBondContact O-N 3.36Å; S187-L189 PolarHBondContact O-N 3.46Å; S187-I190 PolarHBondContact O-N 3.29Å; S187-A191 VanDerWaalsContact O-CB 3.3Å; S187-A191 WeakPolarHBondContact O-CB 3.29Å; S187-A191 PolarHBondContact O-N 3.41Å
188	C	92.3	Very high	89.7	Confident	40 Å²	40	51.4 Å²	51.4	27%	0.27	25%	0.252	S	S	.	.	H	α-helix	trans	-61.7	-43.7	176.3	-60.4	0	0	0	0	111.3	L91 L185 S186	L91-C188 HydrophobicContact CB-CB 4.5Å; L185-C188 WeakPolarHBondContact O-CB 3.43Å; L185-C188 PolarHBondContact O-N 3.13Å; S186-C188 VanDerWaalsContact C-N 3.29Å; S186-C188 PolarHBondContact O-N 3.34Å
189	L	92.4	Very high	89.8	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-71.8	-43.9	177.3	-76.6	168.8	0	0	0	112.1	L91 F99 Y125 L128 F129 S186 S187 A191 L192 V193	L91-L189 HydrophobicContact CD1-CD1 4.38Å; L91-L189 HydrophobicContact CD2-CD1 4.04Å; L91-L189 HydrophobicContact CD2-CD2 3.56Å; L91-L189 HydrophobicContact CD2-CG 3.59Å; F99-L189 HydrophobicContact CD1-CD2 4.45Å; F99-L189 HydrophobicContact CE1-CD1 4.35Å; F99-L189 HydrophobicContact CE1-CD2 4.2Å; F99-L189 HydrophobicContact CZ-CD1 4.24Å; Y125-L189 HydrophobicContact CD1-CD1 4.14Å; Y125-L189 HydrophobicContact CG-CD1 4.15Å; Y125-L189 VanDerWaalsContact O-CD1 3.29Å; Y125-L189 WeakPolarHBondContact O-CD1 3.28Å; L128-L189 HydrophobicContact CB-CB 4.11Å; L128-L189 HydrophobicContact CB-CD1 4.04Å; F129-L189 HydrophobicContact CB-CD2 4.34Å; F129-L189 HydrophobicContact CD2-CD2 3.96Å; S186-L189 PolarHBondContact O-N 2.92Å; S187-L189 PolarHBondContact O-N 3.46Å; L189-A191 VanDerWaalsContact C-N 3.31Å; L189-A191 PolarHBondContact O-N 2.84Å; L189-L192 WeakPolarHBondContact O-CB 3.34Å; L189-L192 PolarHBondContact O-N 3.1Å; L189-V193 PolarHBondContact O-N 3Å
190	I	93.4	Very high	89.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-38.3	-178.8	-68.3	164.5	0	0	0	111	L128 F158 F162 Y178 S186 S187 L192 V193 L194	L128-I190 HydrophobicContact CD1-CD1 4.28Å; L128-I190 HydrophobicContact CD1-CG1 4.24Å; L128-I190 HydrophobicContact CD2-CD1 4.27Å; L128-I190 HydrophobicContact CD2-CG1 4.04Å; F158-I190 HydrophobicContact CE1-CD1 3.45Å; F158-I190 VanDerWaalsContact CE1-CD1 3.45Å; F158-I190 HydrophobicContact CZ-CD1 3.43Å; F158-I190 VanDerWaalsContact CZ-CD1 3.43Å; F162-I190 HydrophobicContact CD2-CD1 3.95Å; F162-I190 HydrophobicContact CD2-CG1 4.23Å; F162-I190 HydrophobicContact CE1-CG1 4.2Å; F162-I190 HydrophobicContact CE2-CB 4.35Å; F162-I190 HydrophobicContact CE2-CD1 3.9Å; F162-I190 HydrophobicContact CE2-CG1 3.83Å; F162-I190 HydrophobicContact CE2-CG2 3.55Å; F162-I190 HydrophobicContact CZ-CB 4.24Å; F162-I190 HydrophobicContact CZ-CD1 4.4Å; F162-I190 HydrophobicContact CZ-CG1 3.82Å; F162-I190 HydrophobicContact CZ-CG2 3.55Å; Y178-I190 HydrophobicContact CD2-CB 3.91Å; Y178-I190 HydrophobicContact CD2-CG2 3.31Å; Y178-I190 HydrophobicContact CE2-CB 4.4Å; Y178-I190 HydrophobicContact CE2-CG2 4.08Å; Y178-I190 HydrophobicContact CG-CG2 3.95Å; S186-I190 VanDerWaalsContact O-CG1 3.3Å; S186-I190 WeakPolarHBondContact O-CG1 3.44Å; S186-I190 PolarHBondContact O-N 3.04Å; S187-I190 PolarHBondContact O-N 3.29Å; I190-L192 PolarHBondContact O-N 3.4Å; I190-L192 VanDerWaalsContact O-N 3.16Å; I190-V193 WeakPolarHBondContact O-CA 3.47Å; I190-V193 WeakPolarHBondContact O-CB 3.1Å; I190-V193 PolarHBondContact O-N 3.36Å; I190-L194 HydrophobicContact CG2-CD1 3.93Å; I190-L194 HydrophobicContact CG2-CD2 4.07Å; I190-L194 HydrophobicContact CG2-CG 3.71Å; I190-L194 WeakPolarHBondContact O-CG 3.37Å; I190-L194 PolarHBondContact O-N 2.92Å
191	A	91.6	Very high	90.2	Very high	35 Å²	35	43.5 Å²	43.5	29%	0.289	22%	0.22	S	C	.	.	H	α-helix	trans	-52.9	-38.9	176.5	0	0	0	0	0	112.1	S187 L189 V193 L194	S187-A191 VanDerWaalsContact O-CB 3.3Å; S187-A191 WeakPolarHBondContact O-CB 3.29Å; S187-A191 PolarHBondContact O-N 3.41Å; L189-A191 VanDerWaalsContact C-N 3.31Å; L189-A191 PolarHBondContact O-N 2.84Å; A191-V193 VanDerWaalsContact C-N 3.32Å; A191-V193 PolarHBondContact O-N 3.26Å; A191-L194 PolarHBondContact O-N 2.93Å
192	L	88.2	Confident	90.8	Very high	41 Å²	41	44 Å²	44	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-65.7	-33.3	176.4	-55.4	174.2	0	0	0	113.1	K96 Y132 L189 I190	K96-L192 HydrophobicContact CD-CD1 3.89Å; K96-L192 VanDerWaalsContact CE-CD2 3.5Å; K96-L192 HydrophobicContact CG-CD1 4Å; Y132-L192 HydrophobicContact CD2-CB 3.51Å; Y132-L192 HydrophobicContact CD2-CD1 4.4Å; Y132-L192 HydrophobicContact CE2-CB 3.74Å; Y132-L192 HydrophobicContact CE2-CD1 4.46Å; Y132-L192 HydrophobicContact CG-CB 4.31Å; L189-L192 WeakPolarHBondContact O-CB 3.34Å; L189-L192 PolarHBondContact O-N 3.1Å; I190-L192 PolarHBondContact O-N 3.4Å; I190-L192 VanDerWaalsContact O-N 3.16Å
193	V	91.5	Very high	91	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-73.6	-44.2	176.9	177.9	0	0	0	0	110.2	V131 F162 L189 I190 A191 D195 R196 E197	V131-V193 HydrophobicContact CG1-CG1 3.83Å; V131-V193 HydrophobicContact CG1-CG2 4.01Å; F162-V193 HydrophobicContact CE1-CG1 4.24Å; F162-V193 HydrophobicContact CZ-CG1 4.29Å; L189-V193 PolarHBondContact O-N 3Å; I190-V193 WeakPolarHBondContact O-CA 3.47Å; I190-V193 WeakPolarHBondContact O-CB 3.1Å; I190-V193 PolarHBondContact O-N 3.36Å; A191-V193 VanDerWaalsContact C-N 3.32Å; A191-V193 PolarHBondContact O-N 3.26Å; V193-D195 VanDerWaalsContact C-N 3.34Å; V193-D195 PolarHBondContact O-N 3.12Å; V193-R196 WeakPolarHBondContact O-CB 2.87Å; V193-R196 PolarHBondContact O-N 2.99Å; V193-R196 VanDerWaalsContact O-N 3.16Å; V193-E197 HydrophobicContact CG1-CG 3.65Å; V193-E197 WeakPolarHBondContact O-CG 3.25Å; V193-E197 PolarHBondContact O-N 2.87Å
194	L	89.7	Confident	90.9	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-65.3	-33.3	-168.9	-69.2	-172.7	0	0	0	113.9	F175 Y178 I190 A191 R196 E197 R198	F175-L194 HydrophobicContact CD1-CD1 4.41Å; F175-L194 HydrophobicContact CD1-CD2 3.86Å; F175-L194 HydrophobicContact CE1-CD2 3.76Å; Y178-L194 HydrophobicContact CD1-CD1 3.28Å; Y178-L194 HydrophobicContact CD2-CD1 3.6Å; Y178-L194 HydrophobicContact CE1-CD1 3.63Å; Y178-L194 HydrophobicContact CE2-CD1 3.89Å; Y178-L194 HydrophobicContact CG-CD1 3.25Å; Y178-L194 HydrophobicContact CG-CG 4.45Å; I190-L194 HydrophobicContact CG2-CD1 3.93Å; I190-L194 HydrophobicContact CG2-CD2 4.07Å; I190-L194 HydrophobicContact CG2-CG 3.71Å; I190-L194 WeakPolarHBondContact O-CG 3.37Å; I190-L194 PolarHBondContact O-N 2.92Å; A191-L194 PolarHBondContact O-N 2.93Å; L194-R196 VanDerWaalsContact C-N 3.25Å; L194-R196 PolarHBondContact O-N 3.14Å; L194-E197 PolarHBondContact O-N 2.86Å; L194-R198 VanDerWaalsContact O-CB 3.3Å; L194-R198 WeakPolarHBondContact O-CB 3.41Å; L194-R198 WeakPolarHBondContact O-CG 3.46Å; L194-R198 PolarHBondContact O-N 2.93Å
195	D	85.3	Confident	90.7	Very high	95 Å²	95	53 Å²	53	51%	0.508	26%	0.258	S	S	.	.	H	α-helix	trans	-62.9	-36.5	178	-73.6	-18.2	0	0	0	112	V193 R198 K199	V193-D195 VanDerWaalsContact C-N 3.34Å; V193-D195 PolarHBondContact O-N 3.12Å; D195-R198 IonicContact OD1-NH1 2.88Å; D195-R198 PolarHBondContact OD1-NH1 3.14Å; D195-K199 WeakPolarHBondContact O-CG 3.03Å
196	R	90.9	Very high	90.5	Very high	49 Å²	49	56.5 Å²	56.5	19%	0.185	28%	0.276	C	S	.	.	H	α-helix	trans	-70.2	-48.6	172	-179.1	-172.6	66.6	-144.8	-4.3	111.1	V131 Y132 E134 V193 L194 R198 K199 R200	V131-R196 PolarHBondContact O-NH2 3.38Å; Y132-R196 PolarHBondContact O-NH1 3.15Å; E134-R196 VanDerWaalsContact CD-CZ 3.48Å; E134-R196 VanDerWaalsContact CG-CZ 3.45Å; E134-R196 WeakPolarHBondContact OE1-CD 3.37Å; E134-R196 IonicContact OE1-CZ 3.21Å; E134-R196 VanDerWaalsContact OE1-CZ 3.32Å; E134-R196 IonicContact OE1-NE 3.03Å; E134-R196 PolarHBondContact OE1-NE 3.44Å; E134-R196 IonicContact OE1-NH1 3.32Å; E134-R196 PolarHBondContact OE1-NH1 3.47Å; V193-R196 WeakPolarHBondContact O-CB 2.87Å; V193-R196 PolarHBondContact O-N 2.99Å; V193-R196 VanDerWaalsContact O-N 3.16Å; L194-R196 VanDerWaalsContact C-N 3.25Å; L194-R196 PolarHBondContact O-N 3.14Å; R196-R198 PolarHBondContact O-N 3.43Å; R196-K199 PolarHBondContact O-N 2.83Å; R196-R200 PolarHBondContact O-N 3.25Å; R196-R200 VanDerWaalsContact O-N 3.08Å
197	E	91.2	Very high	90.1	Very high	6 Å²	6	62.7 Å²	62.7	3%	0.028	30%	0.303	C	S	.	.	H	α-helix	trans	-70	-30.8	-173.9	-62	-51.4	144	0	0	112.7	W166 F171 V193 L194 K199 R200 A201	W166-E197 PolarHBondContact NE1-OE1 3.47Å; F171-E197 HydrophobicContact CE1-CB 4.45Å; V193-E197 HydrophobicContact CG1-CG 3.65Å; V193-E197 WeakPolarHBondContact O-CG 3.25Å; V193-E197 PolarHBondContact O-N 2.87Å; L194-E197 PolarHBondContact O-N 2.86Å; E197-K199 PolarHBondContact O-N 2.93Å; E197-R200 PolarHBondContact O-N 2.93Å; E197-R200 VanDerWaalsContact O-N 3.16Å; E197-R200 IonicContact OE1-NH1 3.49Å; E197-R200 PolarHBondContact OE1-NH1 3.37Å; E197-R200 VanDerWaalsContact OE2-CD 3.25Å; E197-R200 WeakPolarHBondContact OE2-CD 3.34Å; E197-A201 WeakPolarHBondContact O-CB 3.45Å; E197-A201 PolarHBondContact O-N 2.68Å
198	R	90.9	Very high	89.6	Confident	109 Å²	109	63.2 Å²	63.2	41%	0.411	31%	0.306	S	S	.	.	H	α-helix	trans	-57.4	-47.9	169.1	-76.4	170.7	-176.4	151.4	-3.9	111.4	F175 L194 D195 R196 R200 A201 I202	F175-R198 HydrophobicContact CE1-CG 3.59Å; F175-R198 HydrophobicContact CZ-CB 4.4Å; F175-R198 HydrophobicContact CZ-CG 3.63Å; L194-R198 VanDerWaalsContact O-CB 3.3Å; L194-R198 WeakPolarHBondContact O-CB 3.41Å; L194-R198 WeakPolarHBondContact O-CG 3.46Å; L194-R198 PolarHBondContact O-N 2.93Å; D195-R198 IonicContact OD1-NH1 2.88Å; D195-R198 PolarHBondContact OD1-NH1 3.14Å; R196-R198 PolarHBondContact O-N 3.43Å; R198-R200 VanDerWaalsContact C-N 3.27Å; R198-R200 PolarHBondContact O-N 3.5Å; R198-A201 PolarHBondContact O-N 3.43Å; R198-I202 WeakPolarHBondContact O-CG1 3.14Å; R198-I202 PolarHBondContact O-N 2.78Å
199	K	90.9	Very high	88.6	Confident	144 Å²	144	67.2 Å²	67.2	63%	0.626	32%	0.321	S	S	*	.	H	α-helix	trans	-64.6	-32.2	177.2	-66.8	176.7	-175.9	178.5	0	112	D195 R196 E197 R203	D195-K199 WeakPolarHBondContact O-CG 3.03Å; R196-K199 PolarHBondContact O-N 2.83Å; E197-K199 PolarHBondContact O-N 2.93Å; K199-R203 WeakPolarHBondContact O-CG 3.48Å; K199-R203 PolarHBondContact O-N 3.23Å; K199-R203 PolarHBondContact O-NE 3.2Å
200	R	90.5	Very high	87.8	Confident	72 Å²	72	70 Å²	70	27%	0.272	34%	0.341	S	S	.	.	H	α-helix	trans	-71.3	-46.5	175	-75.4	179	169.1	174.1	-0.9	111.5	E134 F171 R196 E197 R198 I202 R203 N204	E134-R200 IonicContact OE1-CZ 3.76Å; E134-R200 IonicContact OE1-NH1 3.98Å; E134-R200 IonicContact OE1-NH2 3.61Å; E134-R200 PolarHBondContact OE1-NH2 2.97Å; E134-R200 IonicContact OE2-CZ 3.2Å; E134-R200 IonicContact OE2-NH1 2.84Å; E134-R200 PolarHBondContact OE2-NH1 2.82Å; E134-R200 IonicContact OE2-NH2 2.91Å; E134-R200 PolarHBondContact OE2-NH2 3.48Å; F171-R200 HydrophobicContact CE1-CB 4.05Å; F171-R200 HydrophobicContact CZ-CB 4.04Å; R196-R200 PolarHBondContact O-N 3.25Å; R196-R200 VanDerWaalsContact O-N 3.08Å; E197-R200 PolarHBondContact O-N 2.93Å; E197-R200 VanDerWaalsContact O-N 3.16Å; E197-R200 IonicContact OE1-NH1 3.49Å; E197-R200 PolarHBondContact OE1-NH1 3.37Å; E197-R200 VanDerWaalsContact OE2-CD 3.25Å; E197-R200 WeakPolarHBondContact OE2-CD 3.34Å; R198-R200 VanDerWaalsContact C-N 3.27Å; R198-R200 PolarHBondContact O-N 3.5Å; R200-I202 PolarHBondContact O-N 3.16Å; R200-R203 VanDerWaalsContact CG-NH2 3.26Å; R200-R203 PolarHBondContact O-N 3.17Å; R200-N204 PolarHBondContact O-N 3.03Å; R200-N204 PolarHBondContact O-OD1 2.84Å
201	A	90.1	Very high	86.6	Confident	11 Å²	11	77 Å²	77	9%	0.091	37%	0.373	C	S	.	.	H	α-helix	trans	-57.3	-50.2	178.4	0	0	0	0	0	111.8	F171 F175 E197 R198 R203 N204 M205	F171-A201 HydrophobicContact CB-CB 4.1Å; F171-A201 HydrophobicContact CD1-CB 3.78Å; F171-A201 HydrophobicContact CD2-CB 3.89Å; F171-A201 HydrophobicContact CE1-CB 4.15Å; F171-A201 HydrophobicContact CE2-CB 4.25Å; F171-A201 HydrophobicContact CG-CB 3.64Å; F171-A201 HydrophobicContact CZ-CB 4.37Å; F175-A201 HydrophobicContact CE2-CB 4.33Å; E197-A201 WeakPolarHBondContact O-CB 3.45Å; E197-A201 PolarHBondContact O-N 2.68Å; R198-A201 PolarHBondContact O-N 3.43Å; A201-R203 VanDerWaalsContact C-N 3.34Å; A201-R203 PolarHBondContact O-N 3.06Å; A201-N204 PolarHBondContact O-N 3.09Å; A201-N204 VanDerWaalsContact O-N 3.16Å; A201-M205 WeakPolarHBondContact O-CG 3.11Å; A201-M205 PolarHBondContact O-N 3.02Å
202	I	91	Very high	85.3	Confident	99 Å²	99	82.2 Å²	82.2	51%	0.508	40%	0.395	S	S	.	.	H	α-helix	trans	-59.6	-45	178.6	-66	166.3	0	0	0	111	R198 R200 N204 M205 I206	R198-I202 WeakPolarHBondContact O-CG1 3.14Å; R198-I202 PolarHBondContact O-N 2.78Å; R200-I202 PolarHBondContact O-N 3.16Å; I202-N204 VanDerWaalsContact C-N 3.3Å; I202-N204 PolarHBondContact O-N 2.99Å; I202-M205 PolarHBondContact O-N 2.97Å; I202-I206 HydrophobicContact CG2-CD1 3.84Å; I202-I206 HydrophobicContact CG2-CG1 4.5Å; I202-I206 WeakPolarHBondContact O-CG1 3.46Å; I202-I206 PolarHBondContact O-N 2.68Å
203	R	91.1	Very high	84.1	Confident	135 Å²	135	85.3 Å²	85.3	51%	0.509	42%	0.416	S	S	.	.	H	α-helix	trans	-61.4	-38.7	177.4	-79.4	-179.3	-72.8	147.7	-9.8	112.5	K199 R200 A201 K207	K199-R203 WeakPolarHBondContact O-CG 3.48Å; K199-R203 PolarHBondContact O-N 3.23Å; K199-R203 PolarHBondContact O-NE 3.2Å; R200-R203 VanDerWaalsContact CG-NH2 3.26Å; R200-R203 PolarHBondContact O-N 3.17Å; A201-R203 VanDerWaalsContact C-N 3.34Å; A201-R203 PolarHBondContact O-N 3.06Å; R203-K207 WeakPolarHBondContact O-CG 3.19Å; R203-K207 PolarHBondContact O-N 2.73Å
204	N	87.7	Confident	81.8	Confident	85 Å²	85	99 Å²	99	46%	0.455	47%	0.468	S	S	.	.	H	α-helix	trans	-68.8	-39.2	177.9	-72.7	3.4	0	0	0	111.6	F171 R200 A201 I202 K207 S208	F171-N204 HydrophobicContact CE2-CB 4.48Å; F171-N204 WeakPolarHBondContact CE2-ND2 3.31Å; R200-N204 PolarHBondContact O-N 3.03Å; R200-N204 PolarHBondContact O-OD1 2.84Å; A201-N204 PolarHBondContact O-N 3.09Å; A201-N204 VanDerWaalsContact O-N 3.16Å; I202-N204 VanDerWaalsContact C-N 3.3Å; I202-N204 PolarHBondContact O-N 2.99Å; N204-K207 PolarHBondContact O-N 3.05Å; N204-S208 PolarHBondContact O-N 3.34Å; N204-S208 PolarHBondContact O-OG 2.82Å
205	M	87.4	Confident	81.4	Confident	113 Å²	113	104 Å²	104	56%	0.557	49%	0.491	S	S	*	.	H	α-helix	trans	-61.4	-46.5	175.5	-69.6	173.2	63.2	0	0	112.1	A201 I202 K207 S208 E209	A201-M205 WeakPolarHBondContact O-CG 3.11Å; A201-M205 PolarHBondContact O-N 3.02Å; I202-M205 PolarHBondContact O-N 2.97Å; M205-K207 VanDerWaalsContact C-N 3.32Å; M205-K207 PolarHBondContact O-N 2.91Å; M205-S208 WeakPolarHBondContact CA-OG 3.5Å; M205-S208 PolarHBondContact O-N 2.72Å; M205-S208 PolarHBondContact O-OG 3.05Å; M205-E209 PolarHBondContact O-N 2.71Å
206	I	89.4	Confident	81.2	Confident	105 Å²	105	104.4 Å²	104.4	54%	0.538	49%	0.491	S	S	.	.	H	α-helix	trans	-61.9	-41	178.8	-65.6	166.9	0	0	0	111.1	I202 E209 S210	I202-I206 HydrophobicContact CG2-CD1 3.84Å; I202-I206 HydrophobicContact CG2-CG1 4.5Å; I202-I206 WeakPolarHBondContact O-CG1 3.46Å; I202-I206 PolarHBondContact O-N 2.68Å; I206-E209 PolarHBondContact O-N 3.26Å; I206-S210 PolarHBondContact O-N 3.38Å; I206-S210 VanDerWaalsContact O-N 3.08Å
207	K	84.9	Confident	80.7	Confident	131 Å²	131	107.5 Å²	107.5	57%	0.57	51%	0.508	S	S	*	.	H	α-helix	trans	-63.9	-44.9	177	-74.9	-178.7	177.4	-167.5	0	112.1	R203 N204 M205 E209 S210 E211	R203-K207 WeakPolarHBondContact O-CG 3.19Å; R203-K207 PolarHBondContact O-N 2.73Å; N204-K207 PolarHBondContact O-N 3.05Å; M205-K207 VanDerWaalsContact C-N 3.32Å; M205-K207 PolarHBondContact O-N 2.91Å; K207-E209 VanDerWaalsContact C-N 3.29Å; K207-E209 PolarHBondContact O-N 3.17Å; K207-S210 PolarHBondContact O-N 3.49Å; K207-S210 PolarHBondContact O-OG 3.12Å; K207-E211 WeakPolarHBondContact O-CG 3.2Å; K207-E211 PolarHBondContact O-N 3.21Å; K207-E211 VanDerWaalsContact O-N 3.12Å
208	S	81.2	Confident	80	Confident	55 Å²	55	113.5 Å²	113.5	39%	0.385	54%	0.536	S	S	.	.	H	α-helix	trans	-63.5	-34.5	177.2	54.3	0	0	0	0	112.8	N204 M205 E211 L212	N204-S208 PolarHBondContact O-N 3.34Å; N204-S208 PolarHBondContact O-OG 2.82Å; M205-S208 WeakPolarHBondContact CA-OG 3.5Å; M205-S208 PolarHBondContact O-N 2.72Å; M205-S208 PolarHBondContact O-OG 3.05Å; S208-E211 PolarHBondContact O-N 2.92Å; S208-L212 WeakPolarHBondContact O-CD1 3.4Å; S208-L212 VanDerWaalsContact O-CG 3.31Å; S208-L212 WeakPolarHBondContact O-CG 3.21Å; S208-L212 PolarHBondContact O-N 3.09Å
209	E	71.7	Confident	79.4	Confident	124 Å²	124	113.8 Å²	113.8	58%	0.579	54%	0.544	S	S	*	.	H	α-helix	trans	-66.7	-40.6	174.3	-74.8	178.1	176.8	0	0	111.7	M205 I206 K207 E211 L212 T213	M205-E209 PolarHBondContact O-N 2.71Å; I206-E209 PolarHBondContact O-N 3.26Å; K207-E209 VanDerWaalsContact C-N 3.29Å; K207-E209 PolarHBondContact O-N 3.17Å; E209-E211 VanDerWaalsContact C-N 3.29Å; E209-E211 PolarHBondContact O-N 3.43Å; E209-L212 PolarHBondContact O-N 3.06Å; E209-T213 PolarHBondContact O-N 3.12Å; E209-T213 PolarHBondContact O-OG1 2.95Å
210	S	74.5	Confident	78.6	Confident	61 Å²	61	111.7 Å²	111.7	43%	0.427	54%	0.538	S	S	.	.	H	α-helix	trans	-66.6	-28.1	177.5	66.3	0	0	0	0	114.1	I206 K207 T213	I206-S210 PolarHBondContact O-N 3.38Å; I206-S210 VanDerWaalsContact O-N 3.08Å; K207-S210 PolarHBondContact O-N 3.49Å; K207-S210 PolarHBondContact O-OG 3.12Å; S210-T213 PolarHBondContact O-OG1 3.44Å; S210-T213 VanDerWaalsContact O-OG1 3.06Å
211	E	68	Low	77.7	Confident	146 Å²	146	114.6 Å²	114.6	68%	0.682	56%	0.557	S	S	*	*	H	α-helix	trans	-79.3	-22.5	176.6	-72.1	172.8	-176.4	0	0	112.6	K207 S208 E209	K207-E211 WeakPolarHBondContact O-CG 3.2Å; K207-E211 PolarHBondContact O-N 3.21Å; K207-E211 VanDerWaalsContact O-N 3.12Å; S208-E211 PolarHBondContact O-N 2.92Å; E209-E211 VanDerWaalsContact C-N 3.29Å; E209-E211 PolarHBondContact O-N 3.43Å
212	L	65.4	Low	76.8	Confident	144 Å²	144	122.5 Å²	122.5	75%	0.754	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-7.9	177.6	-71.6	167.3	0	0	0	113.6	S208 E209	S208-L212 WeakPolarHBondContact O-CD1 3.4Å; S208-L212 VanDerWaalsContact O-CG 3.31Å; S208-L212 WeakPolarHBondContact O-CG 3.21Å; S208-L212 PolarHBondContact O-N 3.09Å; E209-L212 PolarHBondContact O-N 3.06Å
213	T	61.8	Low	75.6	Confident	106 Å²	106	124.5 Å²	124.5	65%	0.65	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	22.6	-178.3	48.6	0	0	0	0	114.9	E209 S210	E209-T213 PolarHBondContact O-N 3.12Å; E209-T213 PolarHBondContact O-OG1 2.95Å; S210-T213 PolarHBondContact O-OG1 3.44Å; S210-T213 VanDerWaalsContact O-OG1 3.06Å
214	W	44	Very low	74.2	Confident	289 Å²	289	123.5 Å²	123.5	100%	1.095	61%	0.608	S	S	*	*			trans	-131.5	0	172.6	-62.7	103.8	0	0	0	111

Retrieved 214 of 214 residues in 288.8 ms (Link to these results)

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