A0A077ZES7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZES7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 211 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	40.3	Very low	40.7	Very low	241 Å²	241	163.6 Å²	163.6	100%	1.187	86%	0.858	S	S	*	*				0	133.8	0	-66.8	-160.6	107.2	0	0	108.5
2	P	40.2	Very low	40.2	Very low	116 Å²	116	159.2 Å²	159.2	75%	0.753	85%	0.851	S	S	*	*			trans	-116.5	150.9	-157.2	37.8	-24.7	0	0	0	113.6
3	V	44.8	Very low	40	Very low	146 Å²	146	157.1 Å²	157.1	89%	0.885	85%	0.848	S	S	*	*			trans	-146.4	102.8	143.2	-175	0	0	0	0	107.9
4	A	36.2	Very low	39.6	Very low	102 Å²	102	162.1 Å²	162.1	84%	0.843	85%	0.848	S	S	*	*			trans	-96.4	134.5	161.4	0	0	0	0	0	107.3
5	S	44.5	Very low	39.1	Very low	103 Å²	103	156.6 Å²	156.6	72%	0.72	84%	0.835	S	S	*	*			trans	-148.2	113.7	168.4	-162.6	0	0	0	0	112.6
6	H	43.5	Very low	38.6	Very low	175 Å²	175	156.3 Å²	156.3	81%	0.81	83%	0.833	S	S	*	*			trans	62.6	100.9	140.6	-85.8	-84.3	0	0	0	122.7
7	R	37.3	Very low	38.2	Very low	219 Å²	219	151.6 Å²	151.6	83%	0.826	81%	0.812	S	S	*	*			trans	-19.2	134.8	137.8	-70.5	174.7	173.4	178	-3.2	115.4
8	N	44	Very low	38.1	Very low	167 Å²	167	147.2 Å²	147.2	89%	0.893	80%	0.795	S	S	*	*			trans	-127.3	122.2	146.2	-88	-27.5	0	0	0	109.1	E10	N8-E10 PolarHBondContact O-N 3.32Å
9	D	37.4	Very low	37.8	Very low	149 Å²	149	143.1 Å²	143.1	80%	0.797	78%	0.782	S	S	*	*			trans	-66.4	115.9	178.5	-70.7	-54.8	0	0	0	111.5	K11	D9-K11 VanDerWaalsContact C-N 3.33Å; D9-K11 PolarHBondContact O-N 3.45Å
10	E	41	Very low	37.7	Very low	196 Å²	196	141.5 Å²	141.5	92%	0.916	77%	0.773	S	S	*	*			trans	-70.9	91.8	161.9	-95.2	-174.8	135.2	0	0	109.2	N8 S12	N8-E10 PolarHBondContact O-N 3.32Å; E10-S12 PolarHBondContact O-N 3.41Å
11	K	38.3	Very low	37.8	Very low	186 Å²	186	140.4 Å²	140.4	81%	0.809	77%	0.765	S	S	*	*			trans	-65.3	94.8	172.8	-158	172.7	-171.4	178.2	0	109.2	D9 T13	D9-K11 VanDerWaalsContact C-N 3.33Å; D9-K11 PolarHBondContact O-N 3.45Å; K11-T13 VanDerWaalsContact C-N 3.34Å; K11-T13 PolarHBondContact O-N 3.1Å; K11-T13 PolarHBondContact O-OG1 3.24Å
12	S	35.2	Very low	37.8	Very low	110 Å²	110	131.7 Å²	131.7	77%	0.769	73%	0.727	S	S	*	*			trans	-47	91.9	169.3	-174.4	0	0	0	0	111.1	E10 R14	E10-S12 PolarHBondContact O-N 3.41Å; S12-R14 PolarHBondContact O-N 3.42Å
13	T	37.5	Very low	37.5	Very low	132 Å²	132	136.4 Å²	136.4	81%	0.81	73%	0.73	S	S	*	*			trans	-92.8	79.6	172.4	21.1	0	0	0	0	106.8	K11 A15	K11-T13 VanDerWaalsContact C-N 3.34Å; K11-T13 PolarHBondContact O-N 3.1Å; K11-T13 PolarHBondContact O-OG1 3.24Å; T13-A15 PolarHBondContact O-N 3.08Å
14	R	34	Very low	36.8	Very low	228 Å²	228	132.2 Å²	132.2	86%	0.86	72%	0.717	S	S	*	*			trans	-63.8	101.9	168.6	-123.9	-179.6	-168.9	179.9	4	107.5	S12 L16	S12-R14 PolarHBondContact O-N 3.42Å; R14-L16 PolarHBondContact O-N 2.89Å; R14-L16 VanDerWaalsContact O-N 3.09Å
15	A	32.4	Very low	36.8	Very low	79 Å²	79	136.6 Å²	136.6	65%	0.653	72%	0.719	S	S	*	*			trans	-55	115	170.2	0	0	0	0	0	108.8	T13 T17	T13-A15 PolarHBondContact O-N 3.08Å; A15-T17 VanDerWaalsContact C-N 3.26Å; A15-T17 PolarHBondContact O-N 3.2Å
16	L	31.5	Very low	36.5	Very low	151 Å²	151	137.1 Å²	137.1	79%	0.791	71%	0.713	S	S	*	*			trans	-71.3	83.2	174.2	-72.9	163.9	0	0	0	108.5	R14	R14-L16 PolarHBondContact O-N 2.89Å; R14-L16 VanDerWaalsContact O-N 3.09Å
17	T	32.4	Very low	36	Very low	78 Å²	78	138.4 Å²	138.4	48%	0.479	72%	0.716	S	S	.	*			trans	-70.5	132.7	166.2	34.3	0	0	0	0	109	A15 A19 N20	A15-T17 VanDerWaalsContact C-N 3.26Å; A15-T17 PolarHBondContact O-N 3.2Å; T17-A19 PolarHBondContact O-N 3Å; T17-N20 PolarHBondContact O-N 3.25Å; T17-N20 PolarHBondContact OG1-ND2 3.4Å
18	S	35.9	Very low	36.1	Very low	72 Å²	72	130.7 Å²	130.7	50%	0.503	70%	0.699	S	S	.	*	H	α-helix	trans	-50.9	-28.4	-179.5	61.2	0	0	0	0	113	N20 I21	S18-N20 VanDerWaalsContact C-N 3.26Å; S18-N20 PolarHBondContact O-N 3Å; S18-I21 PolarHBondContact O-N 3.26Å
19	A	33.1	Very low	35.7	Very low	68 Å²	68	126.7 Å²	126.7	56%	0.562	68%	0.682	S	S	*	*	H	α-helix	trans	-60.8	-24.7	175.3	0	0	0	0	0	115.2	T17	T17-A19 PolarHBondContact O-N 3Å
20	N	34.4	Very low	35.7	Very low	111 Å²	111	123.9 Å²	123.9	59%	0.594	68%	0.679	S	S	*	*	H	α-helix	trans	-91	-16.9	-179.5	-77.5	-31.2	0	0	0	113.7	T17 S18	T17-N20 PolarHBondContact O-N 3.25Å; T17-N20 PolarHBondContact OG1-ND2 3.4Å; S18-N20 VanDerWaalsContact C-N 3.26Å; S18-N20 PolarHBondContact O-N 3Å
21	I	41.2	Very low	35.4	Very low	120 Å²	120	118.2 Å²	118.2	62%	0.615	65%	0.65	S	S	*	*	H	α-helix	trans	-79.7	-30.6	-178.9	-63	169.8	0	0	0	110.6	S18	S18-I21 PolarHBondContact O-N 3.26Å
22	C	39.2	Very low	35.3	Very low	57 Å²	57	116.4 Å²	116.4	39%	0.385	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.9	-10	-179.2	-69.2	0	0	0	0	114.8	C166	C22-C166 VanDerWaalsContact CA-SG 3.6Å; C22-C166 HydrophobicContact CB-CB 3.99Å; C22-C166 WeakPolarHBondContact CB-SG 2.82Å; C22-C166 WeakPolarHBondContact SG-CB 3.45Å; C22-C166 CovalentContact SG-SG 2.04Å; C22-C166 PolarHBondContact SG-SG 2.94Å
23	R	33.5	Very low	35.3	Very low	216 Å²	216	119.5 Å²	119.5	82%	0.815	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	4.9	-171.5	-148.4	-177.9	-105.4	-136.6	-0.8	114.4	H25	R23-H25 VanDerWaalsContact C-N 3.32Å; R23-H25 PolarHBondContact O-N 2.96Å; R23-H25 VanDerWaalsContact O-N 3.07Å
24	G	31.4	Very low	35.1	Very low	58 Å²	58	117.7 Å²	117.7	60%	0.598	63%	0.633	S	S	*	*			trans	-79.3	77.5	168.9	0	0	0	0	0	110.9	I26	G24-I26 PolarHBondContact O-N 2.95Å
25	H	35.4	Very low	35.1	Very low	193 Å²	193	111 Å²	111	89%	0.894	61%	0.614	S	S	*	*			trans	-53.4	111	161.5	-124	-85.4	0	0	0	106.9	R23 K27	R23-H25 VanDerWaalsContact C-N 3.32Å; R23-H25 PolarHBondContact O-N 2.96Å; R23-H25 VanDerWaalsContact O-N 3.07Å; H25-K27 VanDerWaalsContact C-N 3.29Å; H25-K27 PolarHBondContact O-N 3.44Å
26	I	37.4	Very low	35.4	Very low	114 Å²	114	110.9 Å²	110.9	59%	0.585	60%	0.6	S	S	*	*			trans	-63.9	92.6	-179.8	-59.7	170	0	0	0	107	G24 A28	G24-I26 PolarHBondContact O-N 2.95Å; I26-A28 PolarHBondContact O-N 3.22Å; I26-A28 VanDerWaalsContact O-N 3.14Å
27	K	33.4	Very low	35.7	Very low	203 Å²	203	107.2 Å²	107.2	88%	0.883	58%	0.576	S	S	*	*			trans	-68.7	102.6	163	-111.7	-177.7	176	-177.7	0	105.9	H25	H25-K27 VanDerWaalsContact C-N 3.29Å; H25-K27 PolarHBondContact O-N 3.44Å
28	A	39.5	Very low	35.7	Very low	56 Å²	56	106.9 Å²	106.9	46%	0.463	57%	0.57	S	S	.	*			trans	-60.2	138.8	169.2	0	0	0	0	0	108.9	I26	I26-A28 PolarHBondContact O-N 3.22Å; I26-A28 VanDerWaalsContact O-N 3.14Å
29	P	36.3	Very low	35.8	Very low	83 Å²	83	109 Å²	109	54%	0.539	58%	0.576	S	S	.	*			trans	-63.1	140.3	172.7	26.5	-31.5	0	0	0	109.5	Y31	P29-Y31 HydrophobicContact CG-CE1 4.2Å; P29-Y31 HydrophobicContact CG-CE2 4.36Å; P29-Y31 WeakPolarHBondContact O-CD2 3.22Å; P29-Y31 PolarHBondContact O-N 3Å
30	A	36.2	Very low	36.2	Very low	90 Å²	90	110 Å²	110	74%	0.744	57%	0.572	S	S	*	*			trans	-72.6	115	170	0	0	0	0	0	108.2
31	Y	35.4	Very low	36.4	Very low	78 Å²	78	106.1 Å²	106.1	31%	0.306	55%	0.552	S	S	.	*			trans	-80.1	125.9	175.6	-59.4	-79.5	0	0	0	108.9	P29 W37	P29-Y31 HydrophobicContact CG-CE1 4.2Å; P29-Y31 HydrophobicContact CG-CE2 4.36Å; P29-Y31 WeakPolarHBondContact O-CD2 3.22Å; P29-Y31 PolarHBondContact O-N 3Å; Y31-W37 HydrophobicContact CD1-CB 4.4Å; Y31-W37 HydrophobicContact CE1-CB 4.32Å
32	N	36.5	Very low	36.2	Very low	148 Å²	148	104.1 Å²	104.1	79%	0.791	54%	0.542	S	S	*	.	S	Bend	trans	-90.3	-13	-176.1	-72	-34	0	0	0	112.2	E36	N32-E36 PolarHBondContact N-OE2 3.45Å; N32-E36 VanDerWaalsContact N-OE2 3.07Å
33	R	35.1	Very low	36.1	Very low	174 Å²	174	104.9 Å²	104.9	66%	0.657	55%	0.546	S	S	*	.	S	Bend	trans	-135.7	146.2	177.3	-112.2	178	176.2	-124.5	2.5	112.2	D35 E36	R33-D35 PolarHBondContact O-N 3.5Å; R33-D35 VanDerWaalsContact O-N 3.09Å; R33-E36 HydrophobicContact CB-CB 4.48Å; R33-E36 HydrophobicContact CB-CG 3.74Å; R33-E36 PolarHBondContact N-OE2 2.81Å; R33-E36 PolarHBondContact O-N 2.9Å
34	V	32.4	Very low	36.4	Very low	95 Å²	95	97.8 Å²	97.8	58%	0.576	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-19	-176.3	-178.5	0	0	0	0	113.4	W37	V34-W37 PolarHBondContact O-NE1 2.82Å; V34-W37 VanDerWaalsContact O-NE1 3.12Å
35	D	34	Very low	36.6	Very low	88 Å²	88	98.2 Å²	98.2	47%	0.471	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-13.1	-172.3	-38.3	-45.2	0	0	0	112.6	R33 W37 I38	R33-D35 PolarHBondContact O-N 3.5Å; R33-D35 VanDerWaalsContact O-N 3.09Å; D35-W37 PolarHBondContact O-N 3.49Å; D35-W37 VanDerWaalsContact O-N 3.1Å; D35-I38 WeakPolarHBondContact O-CB 3.31Å; D35-I38 PolarHBondContact O-N 3.36Å
36	E	39.7	Very low	36.5	Very low	76 Å²	76	95.1 Å²	95.1	36%	0.355	50%	0.501	S	S	.	.	H	α-helix	trans	-62.8	-22.1	-177.1	-81	179.4	159.2	0	0	112.9	N32 R33 I38 N40	N32-E36 PolarHBondContact N-OE2 3.45Å; N32-E36 VanDerWaalsContact N-OE2 3.07Å; R33-E36 HydrophobicContact CB-CB 4.48Å; R33-E36 HydrophobicContact CB-CG 3.74Å; R33-E36 PolarHBondContact N-OE2 2.81Å; R33-E36 PolarHBondContact O-N 2.9Å; E36-I38 VanDerWaalsContact C-N 3.35Å; E36-N40 PolarHBondContact O-N 2.89Å; E36-N40 PolarHBondContact O-ND2 2.78Å
37	W	38	Very low	36.5	Very low	74 Å²	74	93.1 Å²	93.1	28%	0.28	50%	0.497	S	S	.	.	H	α-helix	trans	-73.6	-29.1	178	75.5	-85.4	0	0	0	112	Y31 V34 D35 N40 V41 L72	Y31-W37 HydrophobicContact CD1-CB 4.4Å; Y31-W37 HydrophobicContact CE1-CB 4.32Å; V34-W37 PolarHBondContact O-NE1 2.82Å; V34-W37 VanDerWaalsContact O-NE1 3.12Å; D35-W37 PolarHBondContact O-N 3.49Å; D35-W37 VanDerWaalsContact O-N 3.1Å; W37-N40 PolarHBondContact O-N 2.84Å; W37-V41 HydrophobicContact CE3-CB 4.23Å; W37-V41 HydrophobicContact CE3-CG2 3.82Å; W37-V41 HydrophobicContact CZ3-CB 4.48Å; W37-V41 HydrophobicContact CZ3-CG1 4.49Å; W37-V41 HydrophobicContact CZ3-CG2 4.33Å; W37-V41 VanDerWaalsContact O-CB 3.29Å; W37-V41 WeakPolarHBondContact O-CB 3.26Å; W37-V41 VanDerWaalsContact O-CG2 3.23Å; W37-V41 WeakPolarHBondContact O-CG2 3.49Å; W37-V41 PolarHBondContact O-N 2.91Å; W37-L72 HydrophobicContact CB-CD1 4.13Å; W37-L72 HydrophobicContact CB-CD2 3.93Å; W37-L72 HydrophobicContact CD2-CD1 3.73Å; W37-L72 HydrophobicContact CD2-CD2 3.78Å; W37-L72 HydrophobicContact CD2-CG 4.39Å; W37-L72 HydrophobicContact CE3-CD1 3.59Å; W37-L72 HydrophobicContact CE3-CD2 4.49Å; W37-L72 HydrophobicContact CG-CD1 3.98Å; W37-L72 HydrophobicContact CG-CD2 3.48Å; W37-L72 VanDerWaalsContact CG-CD2 3.48Å; W37-L72 HydrophobicContact CG-CG 4.41Å; W37-L72 HydrophobicContact CZ3-CD1 4.23Å
38	I	31.1	Very low	36.7	Very low	71 Å²	71	87.4 Å²	87.4	36%	0.364	47%	0.473	S	S	.	.	H	α-helix	trans	-65.9	-46.3	179.8	-60.9	177.2	0	0	0	109.1	D35 E36 N40 V41 I42	D35-I38 WeakPolarHBondContact O-CB 3.31Å; D35-I38 PolarHBondContact O-N 3.36Å; E36-I38 VanDerWaalsContact C-N 3.35Å; I38-N40 PolarHBondContact O-N 2.92Å; I38-V41 PolarHBondContact O-N 3.47Å; I38-I42 HydrophobicContact CG2-CD1 3.54Å; I38-I42 HydrophobicContact CG2-CG1 4.25Å; I38-I42 WeakPolarHBondContact O-CG1 3.21Å; I38-I42 PolarHBondContact O-N 3.07Å
39	D	37.9	Very low	36.7	Very low	116 Å²	116	90.3 Å²	90.3	62%	0.62	49%	0.485	S	S	*	.	H	α-helix	trans	-65.5	-22.3	177.8	-64.5	-28	0	0	0	113	P43	D39-P43 WeakPolarHBondContact O-CD 3.4Å; D39-P43 WeakPolarHBondContact O-CG 3.31Å
40	N	42.1	Very low	36.7	Very low	90 Å²	90	93.6 Å²	93.6	48%	0.481	50%	0.498	S	S	.	.	H	α-helix	trans	-91.3	-29.4	176.6	-77	-58.5	0	0	0	113.1	E36 W37 I38 T44	E36-N40 PolarHBondContact O-N 2.89Å; E36-N40 PolarHBondContact O-ND2 2.78Å; W37-N40 PolarHBondContact O-N 2.84Å; I38-N40 PolarHBondContact O-N 2.92Å; N40-T44 WeakPolarHBondContact O-CB 3.25Å; N40-T44 PolarHBondContact O-OG1 3.09Å
41	V	38.6	Very low	36.7	Very low	28 Å²	28	96.8 Å²	96.8	17%	0.17	50%	0.497	C	S	.	.	H	α-helix	trans	-83	-35.8	-177.3	166.7	0	0	0	0	111.7	W37 I38 T44 L45	W37-V41 HydrophobicContact CE3-CB 4.23Å; W37-V41 HydrophobicContact CE3-CG2 3.82Å; W37-V41 HydrophobicContact CZ3-CB 4.48Å; W37-V41 HydrophobicContact CZ3-CG1 4.49Å; W37-V41 HydrophobicContact CZ3-CG2 4.33Å; W37-V41 VanDerWaalsContact O-CB 3.29Å; W37-V41 WeakPolarHBondContact O-CB 3.26Å; W37-V41 VanDerWaalsContact O-CG2 3.23Å; W37-V41 WeakPolarHBondContact O-CG2 3.49Å; W37-V41 PolarHBondContact O-N 2.91Å; I38-V41 PolarHBondContact O-N 3.47Å; V41-T44 PolarHBondContact O-N 3.13Å; V41-L45 HydrophobicContact CG1-CD1 3.5Å; V41-L45 HydrophobicContact CG1-CG 4.33Å; V41-L45 WeakPolarHBondContact O-CB 2.99Å; V41-L45 WeakPolarHBondContact O-CD1 3.42Å; V41-L45 WeakPolarHBondContact O-CG 3.47Å; V41-L45 PolarHBondContact O-N 3.03Å
42	I	36.9	Very low	36.5	Very low	78 Å²	78	97.5 Å²	97.5	40%	0.4	53%	0.528	S	S	.	.	H	α-helix	trans	-65	-50.9	-179.1	-67	173.4	0	0	0	112.8	I38 T44 L45 E46	I38-I42 HydrophobicContact CG2-CD1 3.54Å; I38-I42 HydrophobicContact CG2-CG1 4.25Å; I38-I42 WeakPolarHBondContact O-CG1 3.21Å; I38-I42 PolarHBondContact O-N 3.07Å; I42-T44 PolarHBondContact O-N 2.88Å; I42-L45 WeakPolarHBondContact O-CB 3.28Å; I42-L45 PolarHBondContact O-N 2.65Å; I42-L45 VanDerWaalsContact O-N 3.13Å; I42-E46 HydrophobicContact CG2-CG 4.4Å; I42-E46 WeakPolarHBondContact O-CG 3.49Å; I42-E46 PolarHBondContact O-N 3.44Å
43	P	38	Very low	36.4	Very low	73 Å²	73	94.5 Å²	94.5	47%	0.474	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-31.4	179.3	-17.2	30.2	0	0	0	111.9	D39 S47	D39-P43 WeakPolarHBondContact O-CD 3.4Å; D39-P43 WeakPolarHBondContact O-CG 3.31Å; P43-S47 PolarHBondContact O-N 2.91Å; P43-S47 VanDerWaalsContact O-N 3.11Å
44	T	39.6	Very low	36.7	Very low	68 Å²	68	92.6 Å²	92.6	42%	0.417	53%	0.526	S	S	.	.	H	α-helix	trans	-64.2	-46.7	174.5	-61.8	0	0	0	0	109.9	N40 V41 I42 S47 F48	N40-T44 WeakPolarHBondContact O-CB 3.25Å; N40-T44 PolarHBondContact O-OG1 3.09Å; V41-T44 PolarHBondContact O-N 3.13Å; I42-T44 PolarHBondContact O-N 2.88Å; T44-S47 PolarHBondContact O-N 3.46Å; T44-S47 PolarHBondContact O-OG 3.12Å; T44-F48 HydrophobicContact CG2-CD2 4.35Å; T44-F48 HydrophobicContact CG2-CE2 3.42Å; T44-F48 VanDerWaalsContact CG2-CE2 3.42Å; T44-F48 HydrophobicContact CG2-CZ 4.01Å; T44-F48 WeakPolarHBondContact O-CD2 3.3Å; T44-F48 WeakPolarHBondContact O-CE2 3.44Å; T44-F48 WeakPolarHBondContact O-CG 3.39Å
45	L	34.1	Very low	37	Very low	66 Å²	66	91.3 Å²	91.3	35%	0.346	52%	0.521	S	S	.	.	H	α-helix	trans	-63.5	-43.7	174.9	-83.5	157.8	0	0	0	113.2	V41 I42 S47 F48 T49 L90	V41-L45 HydrophobicContact CG1-CD1 3.5Å; V41-L45 HydrophobicContact CG1-CG 4.33Å; V41-L45 WeakPolarHBondContact O-CB 2.99Å; V41-L45 WeakPolarHBondContact O-CD1 3.42Å; V41-L45 WeakPolarHBondContact O-CG 3.47Å; V41-L45 PolarHBondContact O-N 3.03Å; I42-L45 WeakPolarHBondContact O-CB 3.28Å; I42-L45 PolarHBondContact O-N 2.65Å; I42-L45 VanDerWaalsContact O-N 3.13Å; L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 3.12Å; L45-F48 PolarHBondContact O-N 2.74Å; L45-T49 PolarHBondContact O-N 2.8Å; L45-T49 PolarHBondContact O-OG1 3.41Å; L45-L90 HydrophobicContact CD2-CD2 4.01Å
46	E	34.4	Very low	37.3	Very low	129 Å²	129	89.3 Å²	89.3	60%	0.603	51%	0.513	S	S	*	.	H	α-helix	trans	-64.4	-33.9	-179.1	-74	179.9	166.9	0	0	112.1	I42 F48 T49	I42-E46 HydrophobicContact CG2-CG 4.4Å; I42-E46 WeakPolarHBondContact O-CG 3.49Å; I42-E46 PolarHBondContact O-N 3.44Å; E46-F48 PolarHBondContact O-N 3.39Å; E46-T49 PolarHBondContact O-OG1 3.41Å
47	S	37.8	Very low	37.3	Very low	72 Å²	72	88.3 Å²	88.3	50%	0.503	52%	0.517	S	S	.	.	H	α-helix	trans	-65.2	-17.9	174	79.4	0	0	0	0	114.3	P43 T44 L45	P43-S47 PolarHBondContact O-N 2.91Å; P43-S47 VanDerWaalsContact O-N 3.11Å; T44-S47 PolarHBondContact O-N 3.46Å; T44-S47 PolarHBondContact O-OG 3.12Å; L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 3.12Å
48	F	37	Very low	37.6	Very low	83 Å²	83	85.9 Å²	85.9	36%	0.364	51%	0.513	S	S	.	.	H	α-helix	trans	-97.8	-21.9	-175.3	-63.7	-46.8	0	0	0	114.1	T44 L45 E46 D50 Q61	T44-F48 HydrophobicContact CG2-CD2 4.35Å; T44-F48 HydrophobicContact CG2-CE2 3.42Å; T44-F48 VanDerWaalsContact CG2-CE2 3.42Å; T44-F48 HydrophobicContact CG2-CZ 4.01Å; T44-F48 WeakPolarHBondContact O-CD2 3.3Å; T44-F48 WeakPolarHBondContact O-CE2 3.44Å; T44-F48 WeakPolarHBondContact O-CG 3.39Å; L45-F48 PolarHBondContact O-N 2.74Å; E46-F48 PolarHBondContact O-N 3.39Å; F48-D50 VanDerWaalsContact C-N 3.34Å; F48-Q61 VanDerWaalsContact CE1-CD 3.44Å; F48-Q61 VanDerWaalsContact CZ-CD 3.41Å; F48-Q61 VanDerWaalsContact CZ-NE2 3.27Å; F48-Q61 VanDerWaalsContact CZ-OE1 3.23Å
49	T	39	Very low	38.2	Very low	117 Å²	117	85.4 Å²	85.4	72%	0.718	51%	0.511	S	S	*	.	H	α-helix	trans	-78.5	-14.9	-179	16.4	0	0	0	0	114.2	L45 E46	L45-T49 PolarHBondContact O-N 2.8Å; L45-T49 PolarHBondContact O-OG1 3.41Å; E46-T49 PolarHBondContact O-OG1 3.41Å
50	D	35.8	Very low	38.4	Very low	152 Å²	152	83 Å²	83	81%	0.813	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.2	-177.9	-107.4	-13.1	0	0	0	114.6	F48	F48-D50 VanDerWaalsContact C-N 3.34Å
51	Q	37.1	Very low	38.7	Very low	157 Å²	157	82.2 Å²	82.2	73%	0.734	49%	0.491	S	S	*	.	S	Bend	trans	-109	91.6	178.1	-62	-158.1	-6.2	0	0	110.7	A53	Q51-A53 PolarHBondContact O-N 2.68Å
52	G	32.2	Very low	39.2	Very low	93 Å²	93	82 Å²	82	96%	0.959	49%	0.489	S	S	*	.	S	Bend	trans	-62.8	36.1	-177.1	0	0	0	0	0	117.7
53	A	33.4	Very low	39.8	Very low	84 Å²	84	80.6 Å²	80.6	69%	0.694	48%	0.479	S	S	*	.	S	Bend	trans	-154.5	102.2	166.2	0	0	0	0	0	108.5	Q51 S55	Q51-A53 PolarHBondContact O-N 2.68Å; A53-S55 VanDerWaalsContact C-N 3.35Å; A53-S55 PolarHBondContact O-N 3.28Å
54	L	42.4	Very low	40.4	Very low	135 Å²	135	84.2 Å²	84.2	71%	0.707	48%	0.483	S	S	*	.			trans	-62.9	92.8	179.9	-94.9	100.7	0	0	0	110.8	A58 T92	L54-A58 HydrophobicContact CD2-CB 4Å; L54-A58 HydrophobicContact CG-CB 4.3Å; L54-T92 HydrophobicContact CD2-CG2 4.42Å
55	S	38.8	Very low	40.9	Very low	67 Å²	67	82.4 Å²	82.4	47%	0.469	47%	0.471	S	S	.	.			trans	-60.5	148.8	169.3	170.7	0	0	0	0	110.5	A53 A57 A58	A53-S55 VanDerWaalsContact C-N 3.35Å; A53-S55 PolarHBondContact O-N 3.28Å; S55-A57 PolarHBondContact O-N 3.45Å; S55-A57 PolarHBondContact OG-N 3.03Å; S55-A58 WeakPolarHBondContact O-CB 2.99Å; S55-A58 PolarHBondContact O-N 2.93Å
56	P	40.3	Very low	41.8	Very low	47 Å²	47	80.5 Å²	80.5	31%	0.305	46%	0.461	S	S	.	.	H	α-helix	trans	-51.4	-19.9	170.4	-25.8	33.5	0	0	0	114.4	A58 L59	P56-A58 VanDerWaalsContact C-N 3.25Å; P56-A58 PolarHBondContact O-N 3.44Å; P56-L59 VanDerWaalsContact O-CB 3.32Å; P56-L59 WeakPolarHBondContact O-CB 3.49Å; P56-L59 PolarHBondContact O-N 3.16Å
57	A	39.3	Very low	42.7	Very low	54 Å²	54	78.2 Å²	78.2	45%	0.446	46%	0.46	S	S	.	.	H	α-helix	trans	-60.2	-32.2	169.3	0	0	0	0	0	113.2	S55 L59 L60 Q61	S55-A57 PolarHBondContact O-N 3.45Å; S55-A57 PolarHBondContact OG-N 3.03Å; A57-L59 VanDerWaalsContact C-N 3.25Å; A57-L59 PolarHBondContact O-N 2.86Å; A57-L60 PolarHBondContact O-N 2.83Å; A57-Q61 PolarHBondContact O-N 3.21Å
58	A	44.6	Very low	43.3	Very low	23 Å²	23	77 Å²	77	19%	0.19	45%	0.447	C	S	.	.	H	α-helix	trans	-67.4	-25.5	173.2	0	0	0	0	0	112.1	L54 S55 P56 N62	L54-A58 HydrophobicContact CD2-CB 4Å; L54-A58 HydrophobicContact CG-CB 4.3Å; S55-A58 WeakPolarHBondContact O-CB 2.99Å; S55-A58 PolarHBondContact O-N 2.93Å; P56-A58 VanDerWaalsContact C-N 3.25Å; P56-A58 PolarHBondContact O-N 3.44Å; A58-N62 PolarHBondContact O-N 3.09Å; A58-N62 VanDerWaalsContact O-N 3.13Å; A58-N62 PolarHBondContact O-ND2 3.21Å
59	L	42.8	Very low	44	Very low	61 Å²	61	74.3 Å²	74.3	32%	0.319	44%	0.436	S	S	.	.	H	α-helix	trans	-72.7	-30.5	174.6	-60.3	176.6	0	0	0	112	P56 A57 N62	P56-L59 VanDerWaalsContact O-CB 3.32Å; P56-L59 WeakPolarHBondContact O-CB 3.49Å; P56-L59 PolarHBondContact O-N 3.16Å; A57-L59 VanDerWaalsContact C-N 3.25Å; A57-L59 PolarHBondContact O-N 2.86Å; L59-N62 WeakPolarHBondContact O-CB 3.42Å; L59-N62 PolarHBondContact O-N 3.22Å
60	L	41.2	Very low	44.7	Very low	65 Å²	65	70.2 Å²	70.2	34%	0.34	41%	0.413	S	S	.	.	H	α-helix	trans	-76.1	-33	175.9	-64.3	169.5	0	0	0	112.2	A57 N62 Y63 R64 A164 Y165	A57-L60 PolarHBondContact O-N 2.83Å; L60-N62 VanDerWaalsContact C-N 3.3Å; L60-Y63 PolarHBondContact O-N 3.08Å; L60-R64 PolarHBondContact O-N 3.22Å; L60-A164 HydrophobicContact CD1-CB 3.29Å; L60-A164 HydrophobicContact CD2-CB 3.33Å; L60-A164 HydrophobicContact CG-CB 3.91Å; L60-Y165 HydrophobicContact CD2-CE2 4.27Å
61	Q	49.8	Very low	45.5	Very low	75 Å²	75	69 Å²	69	35%	0.35	40%	0.401	S	S	.	.	H	α-helix	trans	-68.7	-30.8	171.1	-70.9	178.1	-19.6	0	0	112.1	F48 A57 Y63 R64 L65	F48-Q61 VanDerWaalsContact CE1-CD 3.44Å; F48-Q61 VanDerWaalsContact CZ-CD 3.41Å; F48-Q61 VanDerWaalsContact CZ-NE2 3.27Å; F48-Q61 VanDerWaalsContact CZ-OE1 3.23Å; A57-Q61 PolarHBondContact O-N 3.21Å; Q61-Y63 VanDerWaalsContact C-N 3.26Å; Q61-Y63 PolarHBondContact O-N 2.91Å; Q61-R64 WeakPolarHBondContact O-CB 3.19Å; Q61-R64 PolarHBondContact O-N 2.9Å; Q61-R64 VanDerWaalsContact O-N 3.14Å; Q61-L65 PolarHBondContact O-N 2.68Å
62	N	49.3	Very low	46	Very low	23 Å²	23	63 Å²	63	12%	0.123	38%	0.375	C	S	.	.	H	α-helix	trans	-61.3	-31.2	172.4	-87.5	-60.4	0	0	0	113.2	A58 L59 L60 L66	A58-N62 PolarHBondContact O-N 3.09Å; A58-N62 VanDerWaalsContact O-N 3.13Å; A58-N62 PolarHBondContact O-ND2 3.21Å; L59-N62 WeakPolarHBondContact O-CB 3.42Å; L59-N62 PolarHBondContact O-N 3.22Å; L60-N62 VanDerWaalsContact C-N 3.3Å; N62-L66 WeakPolarHBondContact O-CB 3.33Å; N62-L66 VanDerWaalsContact O-CG 3.23Å; N62-L66 WeakPolarHBondContact O-CG 3.41Å; N62-L66 PolarHBondContact O-N 3.42Å
63	Y	48.6	Very low	46.8	Very low	49 Å²	49	60.4 Å²	60.4	19%	0.192	34%	0.338	C	S	.	.	H	α-helix	trans	-70.2	-38.9	173.3	-100.5	-94.5	0	0	0	113.2	L60 Q61 L65 L66 S67 F120 I126 Y165	L60-Y63 PolarHBondContact O-N 3.08Å; Q61-Y63 VanDerWaalsContact C-N 3.26Å; Q61-Y63 PolarHBondContact O-N 2.91Å; Y63-L65 VanDerWaalsContact C-N 3.31Å; Y63-L66 PolarHBondContact O-N 3.45Å; Y63-S67 WeakPolarHBondContact O-CB 3.41Å; Y63-S67 PolarHBondContact O-N 3.44Å; Y63-F120 HydrophobicContact CE1-CB 4.31Å; Y63-F120 WeakPolarHBondContact CE1-O 3.09Å; Y63-F120 WeakPolarHBondContact OH-CB 2.92Å; Y63-F120 WeakPolarHBondContact OH-CD1 3.17Å; Y63-I126 HydrophobicContact CD1-CD1 4.43Å; Y63-I126 HydrophobicContact CE1-CD1 3.28Å; Y63-I126 HydrophobicContact CE1-CG1 4.36Å; Y63-I126 WeakPolarHBondContact OH-CD1 3.31Å; Y63-I126 WeakPolarHBondContact OH-CG1 3.4Å; Y63-Y165 HydrophobicContact CD1-CE1 4.37Å; Y63-Y165 WeakPolarHBondContact CD2-OH 3.43Å; Y63-Y165 HydrophobicContact CE1-CE1 4.36Å; Y63-Y165 WeakPolarHBondContact CE2-OH 3.22Å; Y63-Y165 HydrophobicContact CG-CE1 4.43Å
64	R	50.3	Low	47.7	Very low	148 Å²	148	62.8 Å²	62.8	56%	0.558	33%	0.334	S	S	*	.	H	α-helix	trans	-65.2	-40.6	175.6	-146.7	171.5	-174.8	174	-0.5	110.4	L60 Q61 L68	L60-R64 PolarHBondContact O-N 3.22Å; Q61-R64 WeakPolarHBondContact O-CB 3.19Å; Q61-R64 PolarHBondContact O-N 2.9Å; Q61-R64 VanDerWaalsContact O-N 3.14Å; R64-L68 WeakPolarHBondContact O-CB 3.34Å; R64-L68 WeakPolarHBondContact O-CD1 3.48Å; R64-L68 VanDerWaalsContact O-CG 3.25Å; R64-L68 WeakPolarHBondContact O-CG 3.37Å; R64-L68 PolarHBondContact O-N 2.9Å
65	L	51.6	Low	48	Very low	30 Å²	30	61.1 Å²	61.1	16%	0.157	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-47.3	172.2	-76.8	165.2	0	0	0	112.1	Q61 Y63 S67 L68 L69	Q61-L65 PolarHBondContact O-N 2.68Å; Y63-L65 VanDerWaalsContact C-N 3.31Å; L65-S67 VanDerWaalsContact C-N 3.34Å; L65-S67 PolarHBondContact O-N 3.23Å; L65-L68 PolarHBondContact O-N 3.36Å; L65-L69 HydrophobicContact CB-CD1 4.45Å; L65-L69 VanDerWaalsContact O-CB 3.23Å; L65-L69 WeakPolarHBondContact O-CB 3.25Å; L65-L69 VanDerWaalsContact O-CD1 3.25Å; L65-L69 WeakPolarHBondContact O-CD1 3.42Å; L65-L69 WeakPolarHBondContact O-CG 3.28Å; L65-L69 PolarHBondContact O-N 2.95Å
66	L	52.2	Low	48.5	Very low	27 Å²	27	62.9 Å²	62.9	14%	0.141	33%	0.331	C	S	.	.	H	α-helix	trans	-64.2	-36.6	178.9	-77.1	166.8	0	0	0	112.9	N62 Y63 S70 L91	N62-L66 WeakPolarHBondContact O-CB 3.33Å; N62-L66 VanDerWaalsContact O-CG 3.23Å; N62-L66 WeakPolarHBondContact O-CG 3.41Å; N62-L66 PolarHBondContact O-N 3.42Å; Y63-L66 PolarHBondContact O-N 3.45Å; L66-S70 VanDerWaalsContact O-CB 3.29Å; L66-S70 WeakPolarHBondContact O-CB 3.37Å; L66-S70 PolarHBondContact O-N 3.48Å; L66-S70 PolarHBondContact O-OG 3.47Å; L66-L91 HydrophobicContact CD2-CD2 4.33Å
67	S	53.1	Low	48.8	Very low	81 Å²	81	68.5 Å²	68.5	57%	0.566	36%	0.358	S	S	*	.	H	α-helix	trans	-69.2	-45.8	175.3	-173.3	0	0	0	0	111.7	Y63 L65 S70 H71	Y63-S67 WeakPolarHBondContact O-CB 3.41Å; Y63-S67 PolarHBondContact O-N 3.44Å; L65-S67 VanDerWaalsContact C-N 3.34Å; L65-S67 PolarHBondContact O-N 3.23Å; S67-S70 PolarHBondContact O-N 3.5Å; S67-H71 WeakPolarHBondContact O-CB 3.22Å; S67-H71 PolarHBondContact O-N 2.77Å
68	L	50.9	Low	49.1	Very low	45 Å²	45	76.6 Å²	76.6	24%	0.236	38%	0.378	C	S	.	.	H	α-helix	trans	-61.9	-44.4	174.7	-76.2	167.8	0	0	0	111.5	R64 L65 H71 L72	R64-L68 WeakPolarHBondContact O-CB 3.34Å; R64-L68 WeakPolarHBondContact O-CD1 3.48Å; R64-L68 VanDerWaalsContact O-CG 3.25Å; R64-L68 WeakPolarHBondContact O-CG 3.37Å; R64-L68 PolarHBondContact O-N 2.9Å; L65-L68 PolarHBondContact O-N 3.36Å; L68-H71 PolarHBondContact O-N 3.34Å; L68-L72 VanDerWaalsContact O-CB 3.22Å; L68-L72 WeakPolarHBondContact O-CB 3.45Å; L68-L72 WeakPolarHBondContact O-CD1 3.32Å; L68-L72 WeakPolarHBondContact O-CG 3.32Å; L68-L72 PolarHBondContact O-N 2.76Å
69	L	51.8	Low	49.4	Very low	28 Å²	28	79.2 Å²	79.2	15%	0.147	39%	0.388	C	S	.	.	H	α-helix	trans	-64.9	-40.2	177	-73.7	159.6	0	0	0	111.9	L65 H71 M73 L90	L65-L69 HydrophobicContact CB-CD1 4.45Å; L65-L69 VanDerWaalsContact O-CB 3.23Å; L65-L69 WeakPolarHBondContact O-CB 3.25Å; L65-L69 VanDerWaalsContact O-CD1 3.25Å; L65-L69 WeakPolarHBondContact O-CD1 3.42Å; L65-L69 WeakPolarHBondContact O-CG 3.28Å; L65-L69 PolarHBondContact O-N 2.95Å; L69-H71 VanDerWaalsContact C-N 3.33Å; L69-M73 WeakPolarHBondContact O-CB 3.49Å; L69-M73 WeakPolarHBondContact O-CG 3.35Å; L69-M73 PolarHBondContact O-N 2.95Å; L69-L90 HydrophobicContact CD1-CD1 3.68Å; L69-L90 HydrophobicContact CD2-CD1 4.29Å
70	S	53.6	Low	49.9	Very low	31 Å²	31	79.1 Å²	79.1	22%	0.217	39%	0.392	C	S	.	.	H	α-helix	trans	-63.6	-42.4	175.9	-62	0	0	0	0	110.8	L66 S67 E74	L66-S70 VanDerWaalsContact O-CB 3.29Å; L66-S70 WeakPolarHBondContact O-CB 3.37Å; L66-S70 PolarHBondContact O-N 3.48Å; L66-S70 PolarHBondContact O-OG 3.47Å; S67-S70 PolarHBondContact O-N 3.5Å; S70-E74 VanDerWaalsContact O-CB 3.25Å; S70-E74 WeakPolarHBondContact O-CB 3.28Å; S70-E74 PolarHBondContact O-N 3.37Å
71	H	52	Low	50.4	Low	125 Å²	125	81 Å²	81	58%	0.579	41%	0.41	S	S	*	.	H	α-helix	trans	-70.8	-41.7	179.6	-163.8	60.2	0	0	0	112.9	S67 L68 L69 M73 T75	S67-H71 WeakPolarHBondContact O-CB 3.22Å; S67-H71 PolarHBondContact O-N 2.77Å; L68-H71 PolarHBondContact O-N 3.34Å; L69-H71 VanDerWaalsContact C-N 3.33Å; H71-M73 VanDerWaalsContact C-N 3.33Å; H71-M73 PolarHBondContact O-N 3.28Å; H71-T75 PolarHBondContact O-OG1 3.29Å
72	L	48	Very low	50.5	Low	33 Å²	33	82.7 Å²	82.7	17%	0.173	42%	0.421	C	S	.	.	H	α-helix	trans	-67.7	-31.1	177.3	-86.4	157.5	0	0	0	113.1	W37 L68 T75	W37-L72 HydrophobicContact CB-CD1 4.13Å; W37-L72 HydrophobicContact CB-CD2 3.93Å; W37-L72 HydrophobicContact CD2-CD1 3.73Å; W37-L72 HydrophobicContact CD2-CD2 3.78Å; W37-L72 HydrophobicContact CD2-CG 4.39Å; W37-L72 HydrophobicContact CE3-CD1 3.59Å; W37-L72 HydrophobicContact CE3-CD2 4.49Å; W37-L72 HydrophobicContact CG-CD1 3.98Å; W37-L72 HydrophobicContact CG-CD2 3.48Å; W37-L72 VanDerWaalsContact CG-CD2 3.48Å; W37-L72 HydrophobicContact CG-CG 4.41Å; W37-L72 HydrophobicContact CZ3-CD1 4.23Å; L68-L72 VanDerWaalsContact O-CB 3.22Å; L68-L72 WeakPolarHBondContact O-CB 3.45Å; L68-L72 WeakPolarHBondContact O-CD1 3.32Å; L68-L72 WeakPolarHBondContact O-CG 3.32Å; L68-L72 PolarHBondContact O-N 2.76Å; L72-T75 PolarHBondContact O-OG1 2.87Å
73	M	49.5	Very low	50.5	Low	37 Å²	37	82.6 Å²	82.6	18%	0.182	42%	0.423	C	S	.	.	H	α-helix	trans	-87.6	-25.9	-179.7	-67	-69.5	-54.3	0	0	112.4	L69 H71 T75 Q76 I79 Y109	L69-M73 WeakPolarHBondContact O-CB 3.49Å; L69-M73 WeakPolarHBondContact O-CG 3.35Å; L69-M73 PolarHBondContact O-N 2.95Å; H71-M73 VanDerWaalsContact C-N 3.33Å; H71-M73 PolarHBondContact O-N 3.28Å; M73-T75 PolarHBondContact O-N 3.27Å; M73-Q76 PolarHBondContact O-N 3.41Å; M73-I79 HydrophobicContact CE-CG1 3.92Å; M73-Y109 HydrophobicContact CE-CE1 3.84Å
74	E	52.4	Low	50.7	Low	134 Å²	134	83 Å²	83	63%	0.626	43%	0.428	S	S	*	.	H	α-helix	trans	-66.8	-19.2	173.3	-166.6	153.6	-164.3	0	0	111.7	S70 R117	S70-E74 VanDerWaalsContact O-CB 3.25Å; S70-E74 WeakPolarHBondContact O-CB 3.28Å; S70-E74 PolarHBondContact O-N 3.37Å; E74-R117 IonicContact OE1-NH1 3.12Å; E74-R117 IonicContact OE2-NH1 3.92Å; E74-R117 PolarHBondContact OE2-NH1 2.71Å; E74-R117 VanDerWaalsContact OE2-NH1 3.12Å
75	T	47.7	Very low	50.8	Low	100 Å²	100	78.1 Å²	78.1	61%	0.613	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-7.6	173.2	45.1	0	0	0	0	115.2	H71 L72 M73	H71-T75 PolarHBondContact O-OG1 3.29Å; L72-T75 PolarHBondContact O-OG1 2.87Å; M73-T75 PolarHBondContact O-N 3.27Å
76	Q	49.2	Very low	50.9	Low	104 Å²	104	80.1 Å²	80.1	49%	0.486	43%	0.429	S	S	.	.			trans	-123.6	97.2	-171	-157.4	87.7	-41.8	0	0	111.9	M73 R78	M73-Q76 PolarHBondContact O-N 3.41Å; Q76-R78 PolarHBondContact O-N 2.97Å
77	D	46.8	Very low	50.9	Low	165 Å²	165	79.6 Å²	79.6	88%	0.882	43%	0.426	S	S	*	.	S	Bend	trans	-69.8	23.1	-178.8	-163.6	35.9	0	0	0	114.8
78	R	46.7	Very low	50.8	Low	225 Å²	225	80.6 Å²	80.6	85%	0.849	42%	0.417	S	S	*	.			trans	-139	76.6	-179.8	-69	-162.5	175.9	-144	-0	111.6	Q76 S80	Q76-R78 PolarHBondContact O-N 2.97Å; R78-S80 PolarHBondContact O-N 2.65Å
79	I	50.9	Low	50.9	Low	78 Å²	78	86.3 Å²	86.3	40%	0.4	44%	0.443	S	S	.	.			trans	-78.4	116.7	177.4	-62.5	145.2	0	0	0	109.4	M73 Y109	M73-I79 HydrophobicContact CE-CG1 3.92Å; I79-Y109 HydrophobicContact CB-CD1 4.24Å; I79-Y109 HydrophobicContact CD1-CD1 3.47Å; I79-Y109 VanDerWaalsContact CD1-CD1 3.47Å; I79-Y109 HydrophobicContact CD1-CE1 4.08Å; I79-Y109 HydrophobicContact CD1-CG 4.29Å; I79-Y109 HydrophobicContact CG1-CD1 3.76Å; I79-Y109 HydrophobicContact CG1-CE1 3.96Å; I79-Y109 HydrophobicContact CG2-CD1 3.54Å; I79-Y109 HydrophobicContact CG2-CD2 3.9Å; I79-Y109 HydrophobicContact CG2-CE1 3.87Å; I79-Y109 HydrophobicContact CG2-CE2 4.22Å; I79-Y109 HydrophobicContact CG2-CG 3.51Å
80	S	52.8	Low	50.9	Low	58 Å²	58	86.9 Å²	86.9	41%	0.406	45%	0.446	S	S	.	.			trans	-105.7	163.8	179	62.2	0	0	0	0	111.4	R78 L82 S83	R78-S80 PolarHBondContact O-N 2.65Å; S80-L82 PolarHBondContact O-N 2.89Å; S80-S83 WeakPolarHBondContact O-CB 3.32Å; S80-S83 PolarHBondContact O-N 2.7Å
81	S	51	Low	51	Low	105 Å²	105	85.9 Å²	85.9	73%	0.734	44%	0.438	S	S	*	.	H	α-helix	trans	-52.4	-24.9	173.6	50.3	0	0	0	0	113.6	I84 A85	S81-I84 PolarHBondContact O-N 3.05Å; S81-A85 PolarHBondContact O-N 3.45Å; S81-A85 VanDerWaalsContact O-N 3.12Å
82	L	51.5	Low	51.1	Low	110 Å²	110	81.4 Å²	81.4	58%	0.576	42%	0.42	S	S	*	.	H	α-helix	trans	-65.6	-41.6	174.4	-175.2	64.1	0	0	0	112.5	S80 I84 A85 I86	S80-L82 PolarHBondContact O-N 2.89Å; L82-I84 PolarHBondContact O-N 2.87Å; L82-A85 WeakPolarHBondContact O-CB 3.4Å; L82-A85 PolarHBondContact O-N 2.94Å; L82-A85 VanDerWaalsContact O-N 3.1Å; L82-I86 HydrophobicContact CD1-CD1 4.39Å; L82-I86 HydrophobicContact CG-CD1 4.01Å; L82-I86 WeakPolarHBondContact O-CG1 3.46Å; L82-I86 PolarHBondContact O-N 2.87Å
83	S	50.1	Low	51.3	Low	22 Å²	22	83.8 Å²	83.8	15%	0.154	44%	0.437	C	S	.	.	H	α-helix	trans	-61.1	-36.6	177.6	-52	0	0	0	0	111.6	S80 L87	S80-S83 WeakPolarHBondContact O-CB 3.32Å; S80-S83 PolarHBondContact O-N 2.7Å; S83-L87 PolarHBondContact O-N 3.27Å
84	I	51.6	Low	51	Low	58 Å²	58	91.2 Å²	91.2	30%	0.297	46%	0.463	S	S	.	.	H	α-helix	trans	-70.3	-39.1	175.7	-62.2	172.7	0	0	0	111	S81 L82 L87 R88 I103 Y109	S81-I84 PolarHBondContact O-N 3.05Å; L82-I84 PolarHBondContact O-N 2.87Å; I84-L87 PolarHBondContact O-N 3.01Å; I84-R88 WeakPolarHBondContact O-CB 3.47Å; I84-R88 VanDerWaalsContact O-CG 3.3Å; I84-R88 WeakPolarHBondContact O-CG 3.32Å; I84-R88 PolarHBondContact O-N 3Å; I84-I103 HydrophobicContact CG2-CG2 4.36Å; I84-Y109 HydrophobicContact CD1-CD2 4.29Å; I84-Y109 HydrophobicContact CG1-CD2 3.72Å; I84-Y109 HydrophobicContact CG1-CE2 3.89Å
85	A	52.6	Low	50.9	Low	44 Å²	44	85.9 Å²	85.9	36%	0.364	44%	0.438	S	S	.	.	H	α-helix	trans	-65.3	-41.7	176.8	0	0	0	0	0	112.1	S81 L82 R88 Q89	S81-A85 PolarHBondContact O-N 3.45Å; S81-A85 VanDerWaalsContact O-N 3.12Å; L82-A85 WeakPolarHBondContact O-CB 3.4Å; L82-A85 PolarHBondContact O-N 2.94Å; L82-A85 VanDerWaalsContact O-N 3.1Å; A85-R88 WeakPolarHBondContact O-CB 3.27Å; A85-R88 PolarHBondContact O-N 3.15Å; A85-Q89 PolarHBondContact O-N 3.45Å
86	I	53.5	Low	51.1	Low	73 Å²	73	86.9 Å²	86.9	37%	0.374	43%	0.431	S	S	.	.	H	α-helix	trans	-65	-44.3	176.5	-68.3	167.5	0	0	0	110.5	L82 R88 Q89 L90	L82-I86 HydrophobicContact CD1-CD1 4.39Å; L82-I86 HydrophobicContact CG-CD1 4.01Å; L82-I86 WeakPolarHBondContact O-CG1 3.46Å; L82-I86 PolarHBondContact O-N 2.87Å; I86-R88 VanDerWaalsContact C-N 3.31Å; I86-R88 PolarHBondContact O-N 3.24Å; I86-Q89 PolarHBondContact O-N 3Å; I86-Q89 VanDerWaalsContact O-N 3.13Å; I86-L90 HydrophobicContact CG2-CD1 3.57Å; I86-L90 HydrophobicContact CG2-CG 4.35Å; I86-L90 WeakPolarHBondContact O-CG 3.33Å; I86-L90 PolarHBondContact O-N 3.14Å
87	L	53.5	Low	51	Low	16 Å²	16	85 Å²	85	8%	0.084	43%	0.434	C	S	.	.	H	α-helix	trans	-57.6	-44.1	171.3	-91.1	164.7	0	0	0	112	S83 I84 Q89 L90 L91 Y109	S83-L87 PolarHBondContact O-N 3.27Å; I84-L87 PolarHBondContact O-N 3.01Å; L87-Q89 PolarHBondContact O-N 2.87Å; L87-L90 PolarHBondContact O-N 3.48Å; L87-L91 HydrophobicContact CB-CD1 4.44Å; L87-L91 WeakPolarHBondContact O-CB 3.22Å; L87-L91 VanDerWaalsContact O-CD1 3.29Å; L87-L91 WeakPolarHBondContact O-CD1 3.07Å; L87-L91 WeakPolarHBondContact O-CG 3.18Å; L87-L91 PolarHBondContact O-N 2.9Å; L87-Y109 HydrophobicContact CD1-CE2 3.31Å; L87-Y109 VanDerWaalsContact CD1-CZ 3.47Å; L87-Y109 WeakPolarHBondContact CD1-OH 3.04Å
88	R	51.8	Low	50.9	Low	101 Å²	101	81 Å²	81	38%	0.381	42%	0.415	S	S	.	.	H	α-helix	trans	-59.9	-31.6	177.3	-79.2	174.4	133	153.6	-0.9	113.3	I84 A85 I86 I103 Y104	I84-R88 WeakPolarHBondContact O-CB 3.47Å; I84-R88 VanDerWaalsContact O-CG 3.3Å; I84-R88 WeakPolarHBondContact O-CG 3.32Å; I84-R88 PolarHBondContact O-N 3Å; A85-R88 WeakPolarHBondContact O-CB 3.27Å; A85-R88 PolarHBondContact O-N 3.15Å; I86-R88 VanDerWaalsContact C-N 3.31Å; I86-R88 PolarHBondContact O-N 3.24Å; R88-I103 HydrophobicContact CG-CD1 4.5Å; R88-Y104 PolarHBondContact NH2-OH 3.41Å
89	Q	51.1	Low	51	Low	166 Å²	166	70.4 Å²	70.4	78%	0.776	38%	0.376	S	S	*	.	H	α-helix	trans	-80.2	-35.4	177.1	-74.5	-177.7	-20.9	0	0	112.7	A85 I86 L87	A85-Q89 PolarHBondContact O-N 3.45Å; I86-Q89 PolarHBondContact O-N 3Å; I86-Q89 VanDerWaalsContact O-N 3.13Å; L87-Q89 PolarHBondContact O-N 2.87Å
90	L	52.2	Low	51	Low	39 Å²	39	69.1 Å²	69.1	20%	0.204	37%	0.371	C	S	.	.	H	α-helix	trans	-77.7	-24.4	-179.9	-71.4	165.9	0	0	0	113.2	L45 L69 I86 L87 T92	L45-L90 HydrophobicContact CD2-CD2 4.01Å; L69-L90 HydrophobicContact CD1-CD1 3.68Å; L69-L90 HydrophobicContact CD2-CD1 4.29Å; I86-L90 HydrophobicContact CG2-CD1 3.57Å; I86-L90 HydrophobicContact CG2-CG 4.35Å; I86-L90 WeakPolarHBondContact O-CG 3.33Å; I86-L90 PolarHBondContact O-N 3.14Å; L87-L90 PolarHBondContact O-N 3.48Å; L90-T92 PolarHBondContact O-N 2.96Å
91	L	55.4	Low	51.1	Low	10 Å²	10	70 Å²	70	5%	0.052	38%	0.376	C	S	.	.	S	Bend	trans	-78.5	112.4	179.7	-65.2	164.2	0	0	0	110.2	L66 L87 L95 R96 V99	L66-L91 HydrophobicContact CD2-CD2 4.33Å; L87-L91 HydrophobicContact CB-CD1 4.44Å; L87-L91 WeakPolarHBondContact O-CB 3.22Å; L87-L91 VanDerWaalsContact O-CD1 3.29Å; L87-L91 WeakPolarHBondContact O-CD1 3.07Å; L87-L91 WeakPolarHBondContact O-CG 3.18Å; L87-L91 PolarHBondContact O-N 2.9Å; L91-L95 HydrophobicContact CB-CB 3.95Å; L91-L95 HydrophobicContact CD2-CB 3.8Å; L91-L95 HydrophobicContact CD2-CD1 4.11Å; L91-L95 HydrophobicContact CD2-CG 4.47Å; L91-L95 HydrophobicContact CG-CB 4.46Å; L91-R96 HydrophobicContact CB-CB 4.41Å; L91-V99 HydrophobicContact CD1-CB 4.03Å; L91-V99 HydrophobicContact CD1-CG1 4.28Å; L91-V99 HydrophobicContact CD1-CG2 3.64Å; L91-V99 HydrophobicContact CD2-CG2 3.99Å; L91-V99 HydrophobicContact CG-CG2 4.4Å
92	T	54.8	Low	51	Low	32 Å²	32	66.2 Å²	66.2	20%	0.196	35%	0.349	C	S	.	.			trans	-47.5	150.3	169.5	-16.3	0	0	0	0	110.1	L54 L90 R94 L95 R96	L54-T92 HydrophobicContact CD2-CG2 4.42Å; L90-T92 PolarHBondContact O-N 2.96Å; T92-R94 PolarHBondContact O-N 3.2Å; T92-L95 CarbonylContact O-C 3.55Å; T92-L95 WeakPolarHBondContact O-CA 3.3Å; T92-L95 WeakPolarHBondContact O-CB 3.17Å; T92-L95 PolarHBondContact O-N 3.48Å; T92-R96 PolarHBondContact O-N 2.73Å
93	P	51.6	Low	50.9	Low	82 Å²	82	62.7 Å²	62.7	53%	0.532	33%	0.33	S	S	.	.	H	α-helix	trans	-49.9	-34.5	-176.1	-31.5	36.3	0	0	0	115.2	A97	P93-A97 PolarHBondContact O-N 3.06Å
94	R	44.4	Very low	51.1	Low	193 Å²	193	69.3 Å²	69.3	73%	0.728	35%	0.353	S	S	*	.	H	α-helix	trans	-68.3	-41.3	174.2	-65.8	-176	80.3	174.3	5.5	113.1	T92 A97 T98	T92-R94 PolarHBondContact O-N 3.2Å; R94-A97 PolarHBondContact O-N 3.43Å; R94-T98 PolarHBondContact O-N 3.25Å; R94-T98 PolarHBondContact O-OG1 3.2Å
95	L	49.8	Very low	51.3	Low	22 Å²	22	71.3 Å²	71.3	12%	0.115	36%	0.363	C	S	.	.	H	α-helix	trans	-67.5	-44.1	173.2	-74.3	174	0	0	0	110.2	L91 T92 A97 T98 V99 F120	L91-L95 HydrophobicContact CB-CB 3.95Å; L91-L95 HydrophobicContact CD2-CB 3.8Å; L91-L95 HydrophobicContact CD2-CD1 4.11Å; L91-L95 HydrophobicContact CD2-CG 4.47Å; L91-L95 HydrophobicContact CG-CB 4.46Å; T92-L95 CarbonylContact O-C 3.55Å; T92-L95 WeakPolarHBondContact O-CA 3.3Å; T92-L95 WeakPolarHBondContact O-CB 3.17Å; T92-L95 PolarHBondContact O-N 3.48Å; L95-A97 VanDerWaalsContact C-N 3.27Å; L95-A97 PolarHBondContact O-N 2.97Å; L95-T98 WeakPolarHBondContact CA-OG1 3.39Å; L95-T98 PolarHBondContact O-N 2.87Å; L95-T98 PolarHBondContact O-OG1 3.46Å; L95-V99 WeakPolarHBondContact O-CG2 3.48Å; L95-V99 PolarHBondContact O-N 3.05Å; L95-F120 HydrophobicContact CD2-CD1 4.33Å; L95-F120 HydrophobicContact CD2-CE1 3.52Å; L95-F120 HydrophobicContact CD2-CE2 3.9Å; L95-F120 HydrophobicContact CD2-CZ 3.28Å
96	R	51.5	Low	51.4	Low	121 Å²	121	75.7 Å²	75.7	46%	0.457	39%	0.388	S	S	.	.	H	α-helix	trans	-55.6	-43.5	175	-173.1	174.6	57.3	-174.4	-3.8	111.3	L91 T92 T98 V99 V100	L91-R96 HydrophobicContact CB-CB 4.41Å; T92-R96 PolarHBondContact O-N 2.73Å; R96-T98 VanDerWaalsContact C-N 3.28Å; R96-T98 PolarHBondContact O-N 3.13Å; R96-V99 PolarHBondContact O-N 3.01Å; R96-V100 HydrophobicContact CG-CG2 3.86Å; R96-V100 WeakPolarHBondContact O-CA 2.98Å; R96-V100 WeakPolarHBondContact O-CB 3.37Å; R96-V100 WeakPolarHBondContact O-CG2 3.41Å; R96-V100 PolarHBondContact O-N 3.36Å
97	A	47.4	Very low	51.6	Low	66 Å²	66	74.5 Å²	74.5	55%	0.545	38%	0.382	S	S	.	.	H	α-helix	trans	-61.1	-32.7	176.5	0	0	0	0	0	113.7	P93 R94 L95 P101	P93-A97 PolarHBondContact O-N 3.06Å; R94-A97 PolarHBondContact O-N 3.43Å; L95-A97 VanDerWaalsContact C-N 3.27Å; L95-A97 PolarHBondContact O-N 2.97Å; A97-P101 WeakPolarHBondContact O-CD 3.46Å
98	T	43.8	Very low	51.7	Low	80 Å²	80	78.2 Å²	78.2	49%	0.491	41%	0.407	S	S	.	.	H	α-helix	trans	-84.2	-29	178	54	0	0	0	0	113.1	R94 L95 R96	R94-T98 PolarHBondContact O-N 3.25Å; R94-T98 PolarHBondContact O-OG1 3.2Å; L95-T98 WeakPolarHBondContact CA-OG1 3.39Å; L95-T98 PolarHBondContact O-N 2.87Å; L95-T98 PolarHBondContact O-OG1 3.46Å; R96-T98 VanDerWaalsContact C-N 3.28Å; R96-T98 PolarHBondContact O-N 3.13Å
99	V	49.1	Very low	51.7	Low	3 Å²	3	74.7 Å²	74.7	2%	0.018	39%	0.394	C	S	.	.	H	α-helix	trans	-87.7	-24.4	176.8	-156.9	0	0	0	0	112.4	L91 L95 R96 S102 I103 T112 L116	L91-V99 HydrophobicContact CD1-CB 4.03Å; L91-V99 HydrophobicContact CD1-CG1 4.28Å; L91-V99 HydrophobicContact CD1-CG2 3.64Å; L91-V99 HydrophobicContact CD2-CG2 3.99Å; L91-V99 HydrophobicContact CG-CG2 4.4Å; L95-V99 WeakPolarHBondContact O-CG2 3.48Å; L95-V99 PolarHBondContact O-N 3.05Å; R96-V99 PolarHBondContact O-N 3.01Å; V99-S102 CarbonylContact O-C 3.4Å; V99-S102 VanDerWaalsContact O-CA 3.31Å; V99-S102 WeakPolarHBondContact O-CA 3.09Å; V99-S102 WeakPolarHBondContact O-CB 3.43Å; V99-S102 PolarHBondContact O-N 3.36Å; V99-I103 HydrophobicContact CB-CD1 3.76Å; V99-I103 HydrophobicContact CB-CG1 4.39Å; V99-I103 HydrophobicContact CG1-CD1 3.55Å; V99-I103 HydrophobicContact CG1-CG1 3.75Å; V99-I103 WeakPolarHBondContact O-CG1 3.47Å; V99-I103 PolarHBondContact O-N 3.31Å; V99-T112 HydrophobicContact CG1-CG2 3.9Å; V99-L116 HydrophobicContact CB-CD2 4.19Å; V99-L116 HydrophobicContact CG1-CD1 3.95Å; V99-L116 HydrophobicContact CG1-CD2 3.77Å; V99-L116 HydrophobicContact CG1-CG 4.06Å; V99-L116 HydrophobicContact CG2-CD2 3.33Å; V99-L116 HydrophobicContact CG2-CG 4.45Å
100	V	52	Low	51.7	Low	51 Å²	51	68.6 Å²	68.6	31%	0.309	38%	0.376	S	S	.	.	H	α-helix	trans	-49	-50	-179.4	152.3	0	0	0	0	112	R96 S102 I103 Y104	R96-V100 HydrophobicContact CG-CG2 3.86Å; R96-V100 WeakPolarHBondContact O-CA 2.98Å; R96-V100 WeakPolarHBondContact O-CB 3.37Å; R96-V100 WeakPolarHBondContact O-CG2 3.41Å; R96-V100 PolarHBondContact O-N 3.36Å; V100-S102 PolarHBondContact O-N 3.38Å; V100-S102 VanDerWaalsContact O-N 3.12Å; V100-I103 PolarHBondContact O-N 3.07Å; V100-Y104 HydrophobicContact CG1-CD2 3.83Å; V100-Y104 HydrophobicContact CG1-CE2 3.88Å; V100-Y104 HydrophobicContact CG2-CE2 4.3Å; V100-Y104 VanDerWaalsContact O-CD2 3.3Å; V100-Y104 WeakPolarHBondContact O-CD2 3.25Å; V100-Y104 PolarHBondContact O-N 3.01Å; V100-Y104 VanDerWaalsContact O-N 3.16Å
101	P	53.8	Low	51.9	Low	77 Å²	77	70 Å²	70	50%	0.5	38%	0.382	S	S	.	.	H	α-helix	trans	-57.9	-31.7	176.4	-23.8	33.6	0	0	0	113.2	A97 I105	A97-P101 WeakPolarHBondContact O-CD 3.46Å; P101-I105 VanDerWaalsContact O-CD1 3.24Å; P101-I105 WeakPolarHBondContact O-CD1 3.39Å; P101-I105 VanDerWaalsContact O-CG1 3.27Å; P101-I105 WeakPolarHBondContact O-CG1 3.41Å
102	S	49.3	Very low	51.9	Low	24 Å²	24	70 Å²	70	17%	0.168	38%	0.382	C	S	.	.	H	α-helix	trans	-87.2	-7.5	179	-59.8	0	0	0	0	114.3	V99 V100 T112	V99-S102 CarbonylContact O-C 3.4Å; V99-S102 VanDerWaalsContact O-CA 3.31Å; V99-S102 WeakPolarHBondContact O-CA 3.09Å; V99-S102 WeakPolarHBondContact O-CB 3.43Å; V99-S102 PolarHBondContact O-N 3.36Å; V100-S102 PolarHBondContact O-N 3.38Å; V100-S102 VanDerWaalsContact O-N 3.12Å; S102-T112 PolarHBondContact O-OG1 2.92Å
103	I	49.9	Very low	51.8	Low	37 Å²	37	70.1 Å²	70.1	19%	0.19	38%	0.381	C	S	.	.	H	α-helix	trans	-97.9	-30.2	178.2	-69.1	160.9	0	0	0	111.4	I84 R88 V99 V100 T112	I84-I103 HydrophobicContact CG2-CG2 4.36Å; R88-I103 HydrophobicContact CG-CD1 4.5Å; V99-I103 HydrophobicContact CB-CD1 3.76Å; V99-I103 HydrophobicContact CB-CG1 4.39Å; V99-I103 HydrophobicContact CG1-CD1 3.55Å; V99-I103 HydrophobicContact CG1-CG1 3.75Å; V99-I103 WeakPolarHBondContact O-CG1 3.47Å; V99-I103 PolarHBondContact O-N 3.31Å; V100-I103 PolarHBondContact O-N 3.07Å; I103-T112 HydrophobicContact CG1-CG2 4.41Å
104	Y	53.7	Low	52	Low	160 Å²	160	69.2 Å²	69.2	63%	0.627	37%	0.374	S	S	*	.	H	α-helix	trans	-88.8	-14.4	-177.3	-79.1	-85.5	0	0	0	114.3	R88 V100	R88-Y104 PolarHBondContact NH2-OH 3.41Å; V100-Y104 HydrophobicContact CG1-CD2 3.83Å; V100-Y104 HydrophobicContact CG1-CE2 3.88Å; V100-Y104 HydrophobicContact CG2-CE2 4.3Å; V100-Y104 VanDerWaalsContact O-CD2 3.3Å; V100-Y104 WeakPolarHBondContact O-CD2 3.25Å; V100-Y104 PolarHBondContact O-N 3.01Å; V100-Y104 VanDerWaalsContact O-N 3.16Å
105	I	55.3	Low	52.6	Low	100 Å²	100	61.9 Å²	61.9	51%	0.513	35%	0.349	S	S	.	.	S	Bend	trans	-78.2	137.3	171.9	-60.3	168.8	0	0	0	107.4	P101 N107	P101-I105 VanDerWaalsContact O-CD1 3.24Å; P101-I105 WeakPolarHBondContact O-CD1 3.39Å; P101-I105 VanDerWaalsContact O-CG1 3.27Å; P101-I105 WeakPolarHBondContact O-CG1 3.41Å; I105-N107 HydrophobicContact CB-CB 4.28Å; I105-N107 HydrophobicContact CG2-CB 4.04Å; I105-N107 PolarHBondContact O-N 3.24Å
106	P	56.7	Low	52.9	Low	137 Å²	137	61.6 Å²	61.6	89%	0.89	35%	0.348	S	S	*	.			trans	-67.2	73.1	168	28.7	-33.2	0	0	0	109.1
107	N	55.8	Low	53.1	Low	47 Å²	47	62.8 Å²	62.8	25%	0.251	35%	0.352	S	S	.	.			trans	-114.4	132.8	-178.7	-160	1	0	0	0	106.4	I105 Y109 Q111	I105-N107 HydrophobicContact CB-CB 4.28Å; I105-N107 HydrophobicContact CG2-CB 4.04Å; I105-N107 PolarHBondContact O-N 3.24Å; N107-Y109 PolarHBondContact O-N 3.25Å; N107-Q111 WeakPolarHBondContact ND2-CG 3.05Å; N107-Q111 WeakPolarHBondContact OD1-CB 3.29Å; N107-Q111 WeakPolarHBondContact OD1-CG 3.39Å
108	P	57.5	Low	53.5	Low	94 Å²	94	65.6 Å²	65.6	61%	0.61	35%	0.348	S	S	*	.			trans	-49.9	132.8	172.3	18.9	-33.6	0	0	0	109.4	G110 Q111 T112	P108-G110 PolarHBondContact O-N 2.04Å; P108-Q111 HydrophobicContact CG-CB 4.15Å; P108-Q111 WeakPolarHBondContact O-CA 3.03Å; P108-Q111 VanDerWaalsContact O-CB 3.26Å; P108-Q111 WeakPolarHBondContact O-CB 3.49Å; P108-Q111 PolarHBondContact O-N 3.11Å; P108-T112 PolarHBondContact O-N 3.3Å
109	Y	50.2	Low	53.9	Low	28 Å²	28	64.7 Å²	64.7	11%	0.11	35%	0.346	C	S	.	.	H	α-helix	trans	-49.8	-32.7	179.4	174.9	-94.4	0	0	0	113.3	M73 I79 I84 L87 N107 Q111 T112 L113	M73-Y109 HydrophobicContact CE-CE1 3.84Å; I79-Y109 HydrophobicContact CB-CD1 4.24Å; I79-Y109 HydrophobicContact CD1-CD1 3.47Å; I79-Y109 VanDerWaalsContact CD1-CD1 3.47Å; I79-Y109 HydrophobicContact CD1-CE1 4.08Å; I79-Y109 HydrophobicContact CD1-CG 4.29Å; I79-Y109 HydrophobicContact CG1-CD1 3.76Å; I79-Y109 HydrophobicContact CG1-CE1 3.96Å; I79-Y109 HydrophobicContact CG2-CD1 3.54Å; I79-Y109 HydrophobicContact CG2-CD2 3.9Å; I79-Y109 HydrophobicContact CG2-CE1 3.87Å; I79-Y109 HydrophobicContact CG2-CE2 4.22Å; I79-Y109 HydrophobicContact CG2-CG 3.51Å; I84-Y109 HydrophobicContact CD1-CD2 4.29Å; I84-Y109 HydrophobicContact CG1-CD2 3.72Å; I84-Y109 HydrophobicContact CG1-CE2 3.89Å; L87-Y109 HydrophobicContact CD1-CE2 3.31Å; L87-Y109 VanDerWaalsContact CD1-CZ 3.47Å; L87-Y109 WeakPolarHBondContact CD1-OH 3.04Å; N107-Y109 PolarHBondContact O-N 3.25Å; Y109-Q111 PolarHBondContact O-N 3.37Å; Y109-T112 CarbonylContact O-C 3.6Å; Y109-T112 WeakPolarHBondContact O-CA 3.28Å; Y109-T112 WeakPolarHBondContact O-CB 2.99Å; Y109-T112 PolarHBondContact O-N 3.45Å; Y109-L113 HydrophobicContact CD1-CD1 3.8Å; Y109-L113 HydrophobicContact CD1-CG 3.98Å; Y109-L113 HydrophobicContact CE1-CD1 3.33Å; Y109-L113 HydrophobicContact CE1-CD2 4.23Å; Y109-L113 HydrophobicContact CE1-CG 3.68Å; Y109-L113 PolarHBondContact O-N 3.31Å
110	G	50.7	Low	53.9	Low	37 Å²	37	66.8 Å²	66.8	38%	0.381	35%	0.354	S	S	.	.	H	α-helix	trans	-55.6	-38.1	171.3	0	0	0	0	0	112.9	P108 L113 V114	P108-G110 PolarHBondContact O-N 2.04Å; G110-L113 PolarHBondContact O-N 2.91Å; G110-V114 WeakPolarHBondContact O-CB 3.29Å; G110-V114 VanDerWaalsContact O-CG2 3.23Å; G110-V114 WeakPolarHBondContact O-CG2 3.45Å; G110-V114 PolarHBondContact O-N 2.98Å
111	Q	56.5	Low	53.7	Low	70 Å²	70	66.7 Å²	66.7	33%	0.327	36%	0.364	S	S	.	.	H	α-helix	trans	-72.5	-33.7	174.5	-168.8	62.5	56.8	0	0	112.4	N107 P108 Y109 V114 N115	N107-Q111 WeakPolarHBondContact ND2-CG 3.05Å; N107-Q111 WeakPolarHBondContact OD1-CB 3.29Å; N107-Q111 WeakPolarHBondContact OD1-CG 3.39Å; P108-Q111 HydrophobicContact CG-CB 4.15Å; P108-Q111 WeakPolarHBondContact O-CA 3.03Å; P108-Q111 VanDerWaalsContact O-CB 3.26Å; P108-Q111 WeakPolarHBondContact O-CB 3.49Å; P108-Q111 PolarHBondContact O-N 3.11Å; Y109-Q111 PolarHBondContact O-N 3.37Å; Q111-V114 PolarHBondContact O-N 2.92Å; Q111-N115 PolarHBondContact NE2-OD1 2.82Å; Q111-N115 VanDerWaalsContact NE2-OD1 3.13Å; Q111-N115 VanDerWaalsContact O-CB 3.29Å; Q111-N115 WeakPolarHBondContact O-CB 2.97Å; Q111-N115 PolarHBondContact O-N 3.09Å; Q111-N115 PolarHBondContact O-ND2 3.35Å; Q111-N115 PolarHBondContact O-OD1 3.46Å
112	T	55.2	Low	53.5	Low	10 Å²	10	65 Å²	65	6%	0.061	35%	0.354	C	S	.	.	H	α-helix	trans	-62.8	-43.6	170.2	-52	0	0	0	0	110.5	V99 S102 I103 P108 Y109 N115 L116	V99-T112 HydrophobicContact CG1-CG2 3.9Å; S102-T112 PolarHBondContact O-OG1 2.92Å; I103-T112 HydrophobicContact CG1-CG2 4.41Å; P108-T112 PolarHBondContact O-N 3.3Å; Y109-T112 CarbonylContact O-C 3.6Å; Y109-T112 WeakPolarHBondContact O-CA 3.28Å; Y109-T112 WeakPolarHBondContact O-CB 2.99Å; Y109-T112 PolarHBondContact O-N 3.45Å; T112-N115 PolarHBondContact O-N 3.13Å; T112-L116 HydrophobicContact CG2-CD1 4.19Å; T112-L116 WeakPolarHBondContact O-CB 3.49Å; T112-L116 VanDerWaalsContact O-CG 3.23Å; T112-L116 WeakPolarHBondContact O-CG 3.32Å; T112-L116 PolarHBondContact O-N 3.48Å
113	L	54.4	Low	53.6	Low	34 Å²	34	67.2 Å²	67.2	18%	0.178	37%	0.366	C	S	.	.	H	α-helix	trans	-65.8	-40.2	173.8	-72.4	-175.4	0	0	0	112.5	Y109 G110 N115 L116 R117	Y109-L113 HydrophobicContact CD1-CD1 3.8Å; Y109-L113 HydrophobicContact CD1-CG 3.98Å; Y109-L113 HydrophobicContact CE1-CD1 3.33Å; Y109-L113 HydrophobicContact CE1-CD2 4.23Å; Y109-L113 HydrophobicContact CE1-CG 3.68Å; Y109-L113 PolarHBondContact O-N 3.31Å; G110-L113 PolarHBondContact O-N 2.91Å; L113-N115 VanDerWaalsContact C-N 3.3Å; L113-N115 PolarHBondContact O-N 3.32Å; L113-L116 HydrophobicContact CD2-CD1 4.18Å; L113-L116 CarbonylContact O-C 3.59Å; L113-L116 PolarHBondContact O-N 2.73Å; L113-R117 VanDerWaalsContact O-CB 3.24Å; L113-R117 WeakPolarHBondContact O-CB 3.4Å; L113-R117 PolarHBondContact O-N 3.35Å
114	V	56	Low	53.7	Low	63 Å²	63	71.1 Å²	71.1	38%	0.382	39%	0.387	S	S	.	.	H	α-helix	trans	-62.9	-39.6	172.9	167.1	0	0	0	0	110.5	G110 Q111 R117 R118	G110-V114 WeakPolarHBondContact O-CB 3.29Å; G110-V114 VanDerWaalsContact O-CG2 3.23Å; G110-V114 WeakPolarHBondContact O-CG2 3.45Å; G110-V114 PolarHBondContact O-N 2.98Å; Q111-V114 PolarHBondContact O-N 2.92Å; V114-R117 CarbonylContact O-C 3.57Å; V114-R117 PolarHBondContact O-N 3Å; V114-R118 WeakPolarHBondContact O-CB 3.1Å; V114-R118 PolarHBondContact O-N 3.36Å
115	N	55.4	Low	53.8	Low	39 Å²	39	70 Å²	70	21%	0.209	38%	0.382	C	S	.	.	H	α-helix	trans	-68.2	-37.8	175.7	-70.5	-8.7	0	0	0	111.4	Q111 T112 L113 R118 S119	Q111-N115 PolarHBondContact NE2-OD1 2.82Å; Q111-N115 VanDerWaalsContact NE2-OD1 3.13Å; Q111-N115 VanDerWaalsContact O-CB 3.29Å; Q111-N115 WeakPolarHBondContact O-CB 2.97Å; Q111-N115 PolarHBondContact O-N 3.09Å; Q111-N115 PolarHBondContact O-ND2 3.35Å; Q111-N115 PolarHBondContact O-OD1 3.46Å; T112-N115 PolarHBondContact O-N 3.13Å; L113-N115 VanDerWaalsContact C-N 3.3Å; L113-N115 PolarHBondContact O-N 3.32Å; N115-R118 PolarHBondContact O-N 2.71Å; N115-R118 PolarHBondContact OD1-NH1 2.9Å; N115-R118 VanDerWaalsContact OD1-NH1 3.09Å; N115-S119 VanDerWaalsContact O-CB 3.28Å; N115-S119 WeakPolarHBondContact O-CB 2.91Å; N115-S119 PolarHBondContact O-N 2.85Å; N115-S119 PolarHBondContact O-OG 3.09Å
116	L	57.5	Low	53.8	Low	16 Å²	16	65.5 Å²	65.5	8%	0.084	36%	0.359	C	S	.	.	H	α-helix	trans	-65.3	-48.2	173.2	-75.2	167.4	0	0	0	111.1	V99 T112 L113 R118 S119 F120	V99-L116 HydrophobicContact CB-CD2 4.19Å; V99-L116 HydrophobicContact CG1-CD1 3.95Å; V99-L116 HydrophobicContact CG1-CD2 3.77Å; V99-L116 HydrophobicContact CG1-CG 4.06Å; V99-L116 HydrophobicContact CG2-CD2 3.33Å; V99-L116 HydrophobicContact CG2-CG 4.45Å; T112-L116 HydrophobicContact CG2-CD1 4.19Å; T112-L116 WeakPolarHBondContact O-CB 3.49Å; T112-L116 VanDerWaalsContact O-CG 3.23Å; T112-L116 WeakPolarHBondContact O-CG 3.32Å; T112-L116 PolarHBondContact O-N 3.48Å; L113-L116 HydrophobicContact CD2-CD1 4.18Å; L113-L116 CarbonylContact O-C 3.59Å; L113-L116 PolarHBondContact O-N 2.73Å; L116-R118 VanDerWaalsContact C-N 3.25Å; L116-R118 PolarHBondContact O-N 3.46Å; L116-S119 CarbonylContact O-C 3.59Å; L116-S119 PolarHBondContact O-N 3.07Å; L116-S119 VanDerWaalsContact O-N 3.14Å; L116-F120 HydrophobicContact CD2-CD2 3.81Å; L116-F120 HydrophobicContact CD2-CE2 3.69Å; L116-F120 WeakPolarHBondContact O-CA 3.34Å; L116-F120 VanDerWaalsContact O-CB 3.28Å; L116-F120 WeakPolarHBondContact O-CB 3.28Å; L116-F120 WeakPolarHBondContact O-CD2 3.41Å; L116-F120 PolarHBondContact O-N 3.14Å
117	R	55.2	Low	53.9	Low	145 Å²	145	59.4 Å²	59.4	55%	0.547	32%	0.319	S	S	.	.	H	α-helix	trans	-64.8	-28.2	174.2	-164	177.7	-160.8	153	4.4	111.9	E74 L113 V114 G121	E74-R117 IonicContact OE1-NH1 3.12Å; E74-R117 IonicContact OE2-NH1 3.92Å; E74-R117 PolarHBondContact OE2-NH1 2.71Å; E74-R117 VanDerWaalsContact OE2-NH1 3.12Å; L113-R117 VanDerWaalsContact O-CB 3.24Å; L113-R117 WeakPolarHBondContact O-CB 3.4Å; L113-R117 PolarHBondContact O-N 3.35Å; V114-R117 CarbonylContact O-C 3.57Å; V114-R117 PolarHBondContact O-N 3Å; R117-G121 WeakPolarHBondContact O-CA 3.44Å; R117-G121 PolarHBondContact O-N 2.71Å
118	R	55.2	Low	54.2	Low	125 Å²	125	62 Å²	62	47%	0.472	33%	0.333	S	S	.	.	H	α-helix	trans	-76.4	-34.2	173.3	-173.8	178.6	-69.5	123.1	-4.1	111.8	V114 N115 L116 R125	V114-R118 WeakPolarHBondContact O-CB 3.1Å; V114-R118 PolarHBondContact O-N 3.36Å; N115-R118 PolarHBondContact O-N 2.71Å; N115-R118 PolarHBondContact OD1-NH1 2.9Å; N115-R118 VanDerWaalsContact OD1-NH1 3.09Å; L116-R118 VanDerWaalsContact C-N 3.25Å; L116-R118 PolarHBondContact O-N 3.46Å; R118-R125 VanDerWaalsContact O-CD 3.22Å; R118-R125 WeakPolarHBondContact O-CD 3.17Å
119	S	52	Low	54.4	Low	62 Å²	62	60.8 Å²	60.8	43%	0.434	32%	0.324	S	S	.	.	H	α-helix	trans	-83.9	-30	-179.7	-54.4	0	0	0	0	112.6	N115 L116	N115-S119 VanDerWaalsContact O-CB 3.28Å; N115-S119 WeakPolarHBondContact O-CB 2.91Å; N115-S119 PolarHBondContact O-N 2.85Å; N115-S119 PolarHBondContact O-OG 3.09Å; L116-S119 CarbonylContact O-C 3.59Å; L116-S119 PolarHBondContact O-N 3.07Å; L116-S119 VanDerWaalsContact O-N 3.14Å
120	F	49.4	Very low	55	Low	46 Å²	46	61.5 Å²	61.5	20%	0.202	33%	0.327	C	S	.	.	H	α-helix	trans	-133.4	4	-170.7	-55.8	-70	0	0	0	113.4	Y63 L95 L116 I126	Y63-F120 HydrophobicContact CE1-CB 4.31Å; Y63-F120 WeakPolarHBondContact CE1-O 3.09Å; Y63-F120 WeakPolarHBondContact OH-CB 2.92Å; Y63-F120 WeakPolarHBondContact OH-CD1 3.17Å; L95-F120 HydrophobicContact CD2-CD1 4.33Å; L95-F120 HydrophobicContact CD2-CE1 3.52Å; L95-F120 HydrophobicContact CD2-CE2 3.9Å; L95-F120 HydrophobicContact CD2-CZ 3.28Å; L116-F120 HydrophobicContact CD2-CD2 3.81Å; L116-F120 HydrophobicContact CD2-CE2 3.69Å; L116-F120 WeakPolarHBondContact O-CA 3.34Å; L116-F120 VanDerWaalsContact O-CB 3.28Å; L116-F120 WeakPolarHBondContact O-CB 3.28Å; L116-F120 WeakPolarHBondContact O-CD2 3.41Å; L116-F120 PolarHBondContact O-N 3.14Å; F120-I126 WeakPolarHBondContact O-CD1 3.48Å
121	G	47.3	Very low	55.7	Low	49 Å²	49	61.2 Å²	61.2	51%	0.505	32%	0.317	S	S	.	.	S	Bend	trans	-99.1	-14.5	-177.4	0	0	0	0	0	114.4	R117	R117-G121 WeakPolarHBondContact O-CA 3.44Å; R117-G121 PolarHBondContact O-N 2.71Å
122	S	49.7	Very low	56.3	Low	41 Å²	41	64 Å²	64	29%	0.287	33%	0.328	S	S	.	.			trans	-102.8	115.9	170.4	62.4	0	0	0	0	109.8	N124 R125 I126	S122-N124 PolarHBondContact O-N 3.22Å; S122-N124 VanDerWaalsContact O-N 3.14Å; S122-R125 PolarHBondContact O-N 3.12Å; S122-R125 WeakPolarHBondContact OG-CB 3.27Å; S122-R125 WeakPolarHBondContact OG-CD 3.13Å; S122-R125 WeakPolarHBondContact OG-CG 3.17Å; S122-R125 PolarHBondContact OG-N 2.98Å; S122-I126 WeakPolarHBondContact O-CG1 2.95Å; S122-I126 PolarHBondContact O-N 2.87Å
123	V	51.2	Low	56.7	Low	72 Å²	72	66.5 Å²	66.5	44%	0.436	34%	0.341	S	S	.	.	H	α-helix	trans	-46	-42.4	172.8	178.8	0	0	0	0	111.1	R125 I126 I127 Y165	V123-R125 PolarHBondContact O-N 2.96Å; V123-I126 WeakPolarHBondContact O-CB 3.07Å; V123-I126 PolarHBondContact O-N 2.81Å; V123-I126 VanDerWaalsContact O-N 3.15Å; V123-I127 HydrophobicContact CG1-CD1 3.69Å; V123-I127 HydrophobicContact CG1-CG1 4.27Å; V123-I127 VanDerWaalsContact O-CG1 3.25Å; V123-I127 WeakPolarHBondContact O-CG1 2.97Å; V123-I127 PolarHBondContact O-N 3.36Å; V123-Y165 HydrophobicContact CG1-CD1 4.33Å
124	N	53.6	Low	57.2	Low	118 Å²	118	65.2 Å²	65.2	63%	0.631	34%	0.335	S	S	*	.	H	α-helix	trans	-60.6	-44.6	178.2	-61.5	-10.4	0	0	0	113.7	S122 I126 I127 D128	S122-N124 PolarHBondContact O-N 3.22Å; S122-N124 VanDerWaalsContact O-N 3.14Å; N124-I126 VanDerWaalsContact C-N 3.26Å; N124-I126 PolarHBondContact O-N 3.16Å; N124-I127 WeakPolarHBondContact O-CB 3.24Å; N124-I127 PolarHBondContact O-N 2.99Å; N124-D128 WeakPolarHBondContact O-CB 2.96Å; N124-D128 PolarHBondContact O-N 2.77Å
125	R	55.8	Low	57.7	Low	137 Å²	137	66.6 Å²	66.6	52%	0.517	34%	0.34	S	S	.	.	H	α-helix	trans	-66.6	-30.2	176.7	-72.1	177.9	177.9	-119.8	-6	112.9	R118 S122 V123 T129	R118-R125 VanDerWaalsContact O-CD 3.22Å; R118-R125 WeakPolarHBondContact O-CD 3.17Å; S122-R125 PolarHBondContact O-N 3.12Å; S122-R125 WeakPolarHBondContact OG-CB 3.27Å; S122-R125 WeakPolarHBondContact OG-CD 3.13Å; S122-R125 WeakPolarHBondContact OG-CG 3.17Å; S122-R125 PolarHBondContact OG-N 2.98Å; V123-R125 PolarHBondContact O-N 2.96Å; R125-T129 VanDerWaalsContact O-CB 3.3Å; R125-T129 WeakPolarHBondContact O-CB 3.3Å; R125-T129 PolarHBondContact O-N 2.88Å; R125-T129 PolarHBondContact O-OG1 2.79Å
126	I	55	Low	58.3	Low	6 Å²	6	69.7 Å²	69.7	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-69.8	-47.1	177.5	-60.2	161.1	0	0	0	108.7	Y63 F120 S122 V123 N124 T129 Y130 Y165	Y63-I126 HydrophobicContact CD1-CD1 4.43Å; Y63-I126 HydrophobicContact CE1-CD1 3.28Å; Y63-I126 HydrophobicContact CE1-CG1 4.36Å; Y63-I126 WeakPolarHBondContact OH-CD1 3.31Å; Y63-I126 WeakPolarHBondContact OH-CG1 3.4Å; F120-I126 WeakPolarHBondContact O-CD1 3.48Å; S122-I126 WeakPolarHBondContact O-CG1 2.95Å; S122-I126 PolarHBondContact O-N 2.87Å; V123-I126 WeakPolarHBondContact O-CB 3.07Å; V123-I126 PolarHBondContact O-N 2.81Å; V123-I126 VanDerWaalsContact O-N 3.15Å; N124-I126 VanDerWaalsContact C-N 3.26Å; N124-I126 PolarHBondContact O-N 3.16Å; I126-T129 WeakPolarHBondContact O-CB 3.29Å; I126-T129 PolarHBondContact O-N 3.31Å; I126-Y130 HydrophobicContact CG2-CD2 3.58Å; I126-Y130 HydrophobicContact CG2-CE2 3.35Å; I126-Y130 WeakPolarHBondContact O-CD2 3.45Å; I126-Y130 PolarHBondContact O-N 3.47Å; I126-Y165 HydrophobicContact CD1-CE1 4.28Å; I126-Y165 HydrophobicContact CG2-CD1 4.4Å; I126-Y165 HydrophobicContact CG2-CD2 4Å; I126-Y165 HydrophobicContact CG2-CE1 4Å; I126-Y165 HydrophobicContact CG2-CE2 3.64Å; I126-Y165 HydrophobicContact CG2-CG 4.42Å
127	I	58.4	Low	58.7	Low	9 Å²	9	69.4 Å²	69.4	5%	0.046	36%	0.355	C	S	.	.	H	α-helix	trans	-56	-53	171.4	-66.7	169.3	0	0	0	109.9	V123 N124 T129 Y130 V131 L162 A167 D170	V123-I127 HydrophobicContact CG1-CD1 3.69Å; V123-I127 HydrophobicContact CG1-CG1 4.27Å; V123-I127 VanDerWaalsContact O-CG1 3.25Å; V123-I127 WeakPolarHBondContact O-CG1 2.97Å; V123-I127 PolarHBondContact O-N 3.36Å; N124-I127 WeakPolarHBondContact O-CB 3.24Å; N124-I127 PolarHBondContact O-N 2.99Å; I127-T129 PolarHBondContact O-N 3.27Å; I127-Y130 CarbonylContact O-C 3.58Å; I127-Y130 PolarHBondContact O-N 3.28Å; I127-V131 HydrophobicContact CG2-CG2 4.12Å; I127-V131 WeakPolarHBondContact O-CB 3.4Å; I127-V131 VanDerWaalsContact O-CG2 3.32Å; I127-V131 WeakPolarHBondContact O-CG2 3.47Å; I127-V131 PolarHBondContact O-N 3.39Å; I127-L162 HydrophobicContact CB-CD2 4.48Å; I127-L162 HydrophobicContact CG2-CD2 3.95Å; I127-A167 HydrophobicContact CB-CB 4.49Å; I127-A167 HydrophobicContact CD1-CB 3.51Å; I127-A167 HydrophobicContact CG1-CB 3.68Å; I127-A167 HydrophobicContact CG2-CB 3.99Å; I127-D170 HydrophobicContact CG2-CB 4.07Å; I127-D170 WeakPolarHBondContact CG2-OD2 3.37Å
128	D	61.2	Low	59.1	Low	100 Å²	100	65.5 Å²	65.5	54%	0.535	35%	0.348	S	S	.	.	H	α-helix	trans	-54.4	-41	177.4	-66.4	-28.1	0	0	0	111.8	N124 K132	N124-D128 WeakPolarHBondContact O-CB 2.96Å; N124-D128 PolarHBondContact O-N 2.77Å; D128-K132 VanDerWaalsContact O-CB 3.25Å; D128-K132 WeakPolarHBondContact O-CB 3.08Å; D128-K132 PolarHBondContact O-N 2.8Å
129	T	62.8	Low	59.5	Low	69 Å²	69	62.8 Å²	62.8	42%	0.423	35%	0.347	S	S	.	.	H	α-helix	trans	-67.2	-42.2	177.3	-59.4	0	0	0	0	111.5	R125 I126 I127 N133	R125-T129 VanDerWaalsContact O-CB 3.3Å; R125-T129 WeakPolarHBondContact O-CB 3.3Å; R125-T129 PolarHBondContact O-N 2.88Å; R125-T129 PolarHBondContact O-OG1 2.79Å; I126-T129 WeakPolarHBondContact O-CB 3.29Å; I126-T129 PolarHBondContact O-N 3.31Å; I127-T129 PolarHBondContact O-N 3.27Å; T129-N133 VanDerWaalsContact O-CB 3.28Å; T129-N133 WeakPolarHBondContact O-CB 3.23Å; T129-N133 PolarHBondContact O-N 3.48Å; T129-N133 PolarHBondContact O-ND2 2.99Å
130	Y	62.4	Low	60.2	Low	44 Å²	44	62.7 Å²	62.7	17%	0.173	34%	0.34	C	S	.	.	H	α-helix	trans	-71.2	-37.3	176.9	-78.4	-66.8	0	0	0	112.6	I126 I127 N133 S134 S161 Y165	I126-Y130 HydrophobicContact CG2-CD2 3.58Å; I126-Y130 HydrophobicContact CG2-CE2 3.35Å; I126-Y130 WeakPolarHBondContact O-CD2 3.45Å; I126-Y130 PolarHBondContact O-N 3.47Å; I127-Y130 CarbonylContact O-C 3.58Å; I127-Y130 PolarHBondContact O-N 3.28Å; Y130-N133 PolarHBondContact O-N 3.38Å; Y130-S134 WeakPolarHBondContact O-CB 3.24Å; Y130-S134 PolarHBondContact O-N 3.26Å; Y130-S134 PolarHBondContact O-OG 3.05Å; Y130-S161 VanDerWaalsContact CE1-CB 3.49Å; Y130-S161 WeakPolarHBondContact CE1-OG 3.23Å; Y130-Y165 HydrophobicContact CD2-CD2 4.29Å; Y130-Y165 HydrophobicContact CD2-CE2 4.1Å; Y130-Y165 HydrophobicContact CE2-CD2 4.17Å; Y130-Y165 AromaticContact CE2-CE2 3.53Å; Y130-Y165 HydrophobicContact CE2-CE2 3.53Å
131	V	64.6	Low	61	Low	31 Å²	31	68.5 Å²	68.5	19%	0.188	37%	0.365	C	S	.	.	H	α-helix	trans	-59.9	-51.4	171.3	171.5	0	0	0	0	109.2	I127 N133 S134 L135 L162 D170	I127-V131 HydrophobicContact CG2-CG2 4.12Å; I127-V131 WeakPolarHBondContact O-CB 3.4Å; I127-V131 VanDerWaalsContact O-CG2 3.32Å; I127-V131 WeakPolarHBondContact O-CG2 3.47Å; I127-V131 PolarHBondContact O-N 3.39Å; V131-N133 PolarHBondContact O-N 2.79Å; V131-S134 WeakPolarHBondContact O-CB 3.33Å; V131-S134 PolarHBondContact O-N 2.86Å; V131-S134 VanDerWaalsContact O-N 3.08Å; V131-L135 HydrophobicContact CG1-CD1 4.34Å; V131-L135 WeakPolarHBondContact O-CG 3.21Å; V131-L135 PolarHBondContact O-N 2.8Å; V131-L135 VanDerWaalsContact O-N 3.07Å; V131-L162 HydrophobicContact CG2-CD2 4.11Å; V131-D170 HydrophobicContact CG2-CB 4.41Å
132	K	69.3	Low	61.8	Low	128 Å²	128	68.2 Å²	68.2	56%	0.557	36%	0.356	S	S	*	.	H	α-helix	trans	-58.5	-48.2	176	-175.9	-180	176.7	-177.3	0	112.3	D128 S134 L135 D136	D128-K132 VanDerWaalsContact O-CB 3.25Å; D128-K132 WeakPolarHBondContact O-CB 3.08Å; D128-K132 PolarHBondContact O-N 2.8Å; K132-S134 PolarHBondContact O-N 2.82Å; K132-L135 PolarHBondContact O-N 2.94Å; K132-D136 WeakPolarHBondContact CE-OD2 3.42Å; K132-D136 PolarHBondContact O-N 2.73Å
133	N	65.3	Low	62.5	Low	63 Å²	63	69.9 Å²	69.9	34%	0.337	37%	0.368	S	S	.	.	H	α-helix	trans	-60.6	-28.9	177.2	-72.5	-21	0	0	0	112.5	T129 Y130 V131 I137	T129-N133 VanDerWaalsContact O-CB 3.28Å; T129-N133 WeakPolarHBondContact O-CB 3.23Å; T129-N133 PolarHBondContact O-N 3.48Å; T129-N133 PolarHBondContact O-ND2 2.99Å; Y130-N133 PolarHBondContact O-N 3.38Å; V131-N133 PolarHBondContact O-N 2.79Å; N133-I137 VanDerWaalsContact O-CG1 3.22Å; N133-I137 WeakPolarHBondContact O-CG1 3.39Å; N133-I137 PolarHBondContact O-N 3.12Å
134	S	64.8	Low	63.3	Low	6 Å²	6	70.6 Å²	70.6	4%	0.042	37%	0.369	C	S	.	.	H	α-helix	trans	-73.3	-34.3	175.5	-55.4	0	0	0	0	112	Y130 V131 K132 I137 A158	Y130-S134 WeakPolarHBondContact O-CB 3.24Å; Y130-S134 PolarHBondContact O-N 3.26Å; Y130-S134 PolarHBondContact O-OG 3.05Å; V131-S134 WeakPolarHBondContact O-CB 3.33Å; V131-S134 PolarHBondContact O-N 2.86Å; V131-S134 VanDerWaalsContact O-N 3.08Å; K132-S134 PolarHBondContact O-N 2.82Å; S134-I137 WeakPolarHBondContact O-CG1 3.4Å; S134-A158 VanDerWaalsContact OG-CB 3.28Å; S134-A158 WeakPolarHBondContact OG-CB 3.32Å
135	L	66.2	Low	64	Low	92 Å²	92	74.2 Å²	74.2	48%	0.482	37%	0.374	S	S	.	.	H	α-helix	trans	-76.3	-29.4	176	-63.3	173.9	0	0	0	112.3	V131 K132 I137 A179	V131-L135 HydrophobicContact CG1-CD1 4.34Å; V131-L135 WeakPolarHBondContact O-CG 3.21Å; V131-L135 PolarHBondContact O-N 2.8Å; V131-L135 VanDerWaalsContact O-N 3.07Å; K132-L135 PolarHBondContact O-N 2.94Å; L135-I137 VanDerWaalsContact C-N 3.31Å; L135-A179 HydrophobicContact CD2-CB 3.97Å
136	D	68.4	Low	64.7	Low	104 Å²	104	70.9 Å²	70.9	56%	0.556	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	3.6	177.4	-71.5	-26.2	0	0	0	113.1	K132 P138	K132-D136 WeakPolarHBondContact CE-OD2 3.42Å; K132-D136 PolarHBondContact O-N 2.73Å; D136-P138 WeakPolarHBondContact O-CD 3.26Å
137	I	65.7	Low	65.1	Low	11 Å²	11	72.9 Å²	72.9	6%	0.056	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-64	119.2	174.8	-63.2	179.6	0	0	0	108	N133 S134 L135 F151 E154 V155	N133-I137 VanDerWaalsContact O-CG1 3.22Å; N133-I137 WeakPolarHBondContact O-CG1 3.39Å; N133-I137 PolarHBondContact O-N 3.12Å; S134-I137 WeakPolarHBondContact O-CG1 3.4Å; L135-I137 VanDerWaalsContact C-N 3.31Å; I137-F151 HydrophobicContact CG2-CD2 3.79Å; I137-F151 HydrophobicContact CG2-CE2 3.95Å; I137-E154 HydrophobicContact CD1-CB 4.08Å; I137-E154 HydrophobicContact CG1-CB 4.43Å; I137-E154 HydrophobicContact CG2-CB 4.39Å; I137-V155 HydrophobicContact CD1-CB 4.45Å; I137-V155 HydrophobicContact CD1-CG2 3.71Å
138	P	63.8	Low	65.3	Low	62 Å²	62	75.1 Å²	75.1	40%	0.403	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-62.4	140.3	-179	24.7	-32.1	0	0	0	110	D136 M140	D136-P138 WeakPolarHBondContact O-CD 3.26Å; P138-M140 PolarHBondContact O-N 3.38Å
139	P	63.4	Low	65.5	Low	68 Å²	68	73.7 Å²	73.7	44%	0.442	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-58.2	142.9	173.2	25.8	-33.5	0	0	0	109.3	K141 I183	P139-K141 PolarHBondContact O-N 2.91Å; P139-K141 VanDerWaalsContact O-N 3.09Å; P139-I183 HydrophobicContact CB-CG2 3.97Å
140	M	66.6	Low	65.7	Low	60 Å²	60	75.8 Å²	75.8	30%	0.296	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-56.6	117.1	176.5	-168.1	177	77.4	0	0	108.3	P138 S142 D147 V148 Q187	P138-M140 PolarHBondContact O-N 3.38Å; M140-S142 VanDerWaalsContact CG-O 3.28Å; M140-S142 WeakPolarHBondContact CG-O 3.39Å; M140-D147 HydrophobicContact CG-CB 4.08Å; M140-V148 HydrophobicContact CE-CG2 4.21Å; M140-V148 HydrophobicContact SD-CB 4.1Å; M140-V148 HydrophobicContact SD-CG2 3.39Å; M140-V148 WeakPolarHBondContact SD-CG2 3.37Å; M140-Q187 VanDerWaalsContact O-CD 3.23Å; M140-Q187 PolarHBondContact O-NE2 3.23Å; M140-Q187 PolarHBondContact O-OE1 3.24Å; M140-Q187 VanDerWaalsContact O-OE1 3.08Å
141	K	64.9	Low	65.8	Low	168 Å²	168	74.6 Å²	74.6	73%	0.73	39%	0.387	S	S	*	.			trans	-83	-22.1	-171.7	-67.7	-173.4	179.4	-177.7	0	112.9	P139	P139-K141 PolarHBondContact O-N 2.91Å; P139-K141 VanDerWaalsContact O-N 3.09Å
142	S	63.7	Low	65.8	Low	44 Å²	44	77.3 Å²	77.3	31%	0.308	40%	0.397	S	S	.	.	S	Bend	trans	-149.7	158.6	-178.6	72.3	0	0	0	0	109.9	M140 D144 D147	M140-S142 VanDerWaalsContact CG-O 3.28Å; M140-S142 WeakPolarHBondContact CG-O 3.39Å; S142-D144 PolarHBondContact O-N 3.31Å; S142-D144 VanDerWaalsContact O-N 3.13Å; S142-D144 WeakPolarHBondContact OG-CB 3.29Å; S142-D144 PolarHBondContact OG-N 3.24Å; S142-D147 PolarHBondContact N-OD2 3.33Å; S142-D147 PolarHBondContact OG-OD2 3.35Å
143	S	65.2	Low	65.5	Low	76 Å²	76	79.4 Å²	79.4	53%	0.531	40%	0.402	S	S	.	.	S	Bend	trans	-75.6	13.2	170.1	67.5	0	0	0	0	113.1	I191	S143-I191 WeakPolarHBondContact OG-CD1 2.96Å
144	D	68.6	Low	65.5	Low	87 Å²	87	79.8 Å²	79.8	47%	0.465	40%	0.402	S	S	.	.			trans	-63.3	138.8	175.7	-173.1	19.1	0	0	0	109.1	S142 S146 D147 V148	S142-D144 PolarHBondContact O-N 3.31Å; S142-D144 VanDerWaalsContact O-N 3.13Å; S142-D144 WeakPolarHBondContact OG-CB 3.29Å; S142-D144 PolarHBondContact OG-N 3.24Å; D144-S146 PolarHBondContact O-N 3.42Å; D144-S146 VanDerWaalsContact O-N 3.16Å; D144-S146 PolarHBondContact OD2-OG 3.13Å; D144-D147 PolarHBondContact O-N 3.39Å; D144-D147 VanDerWaalsContact O-N 3.09Å; D144-V148 WeakPolarHBondContact O-CG2 2.96Å; D144-V148 PolarHBondContact O-N 2.95Å
145	R	68.1	Low	65.5	Low	193 Å²	193	80.5 Å²	80.5	73%	0.728	41%	0.406	S	S	*	.	H	α-helix	trans	-56.3	-35	-179.7	-176	176.1	178.2	-179.5	1.9	111.2	V148 D149	R145-V148 PolarHBondContact O-N 2.79Å; R145-D149 IonicContact NE-OD2 3.93Å; R145-D149 VanDerWaalsContact O-CB 3.32Å; R145-D149 WeakPolarHBondContact O-CB 3.06Å; R145-D149 VanDerWaalsContact O-CG 3.24Å; R145-D149 PolarHBondContact O-N 3.05Å
146	S	69.3	Low	65.4	Low	68 Å²	68	80.4 Å²	80.4	48%	0.476	40%	0.403	S	S	.	.	H	α-helix	trans	-64.2	-42	178.7	74.1	0	0	0	0	112.8	D144 K150	D144-S146 PolarHBondContact O-N 3.42Å; D144-S146 VanDerWaalsContact O-N 3.16Å; D144-S146 PolarHBondContact OD2-OG 3.13Å; S146-K150 VanDerWaalsContact O-CB 3.27Å; S146-K150 WeakPolarHBondContact O-CB 3.29Å; S146-K150 PolarHBondContact O-N 3.41Å
147	D	64	Low	65.1	Low	47 Å²	47	76.2 Å²	76.2	25%	0.251	39%	0.385	S	S	.	.	H	α-helix	trans	-71.1	-39.6	177.3	-84.9	-16	0	0	0	111.3	M140 S142 D144 F151	M140-D147 HydrophobicContact CG-CB 4.08Å; S142-D147 PolarHBondContact N-OD2 3.33Å; S142-D147 PolarHBondContact OG-OD2 3.35Å; D144-D147 PolarHBondContact O-N 3.39Å; D144-D147 VanDerWaalsContact O-N 3.09Å; D147-F151 WeakPolarHBondContact O-CB 3.42Å; D147-F151 PolarHBondContact O-N 2.79Å
148	V	62.3	Low	64.8	Low	56 Å²	56	76.1 Å²	76.1	34%	0.339	39%	0.385	S	S	.	.	H	α-helix	trans	-62.1	-50.7	175.2	175.6	0	0	0	0	111	M140 D144 R145 K150 F151 F152	M140-V148 HydrophobicContact CE-CG2 4.21Å; M140-V148 HydrophobicContact SD-CB 4.1Å; M140-V148 HydrophobicContact SD-CG2 3.39Å; M140-V148 WeakPolarHBondContact SD-CG2 3.37Å; D144-V148 WeakPolarHBondContact O-CG2 2.96Å; D144-V148 PolarHBondContact O-N 2.95Å; R145-V148 PolarHBondContact O-N 2.79Å; V148-K150 VanDerWaalsContact C-N 3.33Å; V148-K150 PolarHBondContact O-N 3.49Å; V148-F151 PolarHBondContact O-N 3.22Å; V148-F152 WeakPolarHBondContact O-CB 3.23Å; V148-F152 PolarHBondContact O-N 2.94Å
149	D	65	Low	64.7	Low	70 Å²	70	75.3 Å²	75.3	37%	0.374	38%	0.377	S	S	.	.	H	α-helix	trans	-61.1	-46	-179.3	-75.5	-23.4	0	0	0	109.6	R145 F151 F152 Y153	R145-D149 IonicContact NE-OD2 3.93Å; R145-D149 VanDerWaalsContact O-CB 3.32Å; R145-D149 WeakPolarHBondContact O-CB 3.06Å; R145-D149 VanDerWaalsContact O-CG 3.24Å; R145-D149 PolarHBondContact O-N 3.05Å; D149-F151 PolarHBondContact O-N 2.95Å; D149-F152 PolarHBondContact O-N 2.99Å; D149-Y153 HydrophobicContact CB-CD2 4.4Å; D149-Y153 HydrophobicContact CB-CE2 4.25Å; D149-Y153 WeakPolarHBondContact O-CD2 3.25Å; D149-Y153 PolarHBondContact O-N 2.68Å
150	K	68.1	Low	64.5	Low	114 Å²	114	74.2 Å²	74.2	50%	0.496	37%	0.368	S	S	.	.	H	α-helix	trans	-59.2	-49.4	177.3	-175.9	179.1	176.3	-174	0	112.4	S146 V148 F152 Y153 E154	S146-K150 VanDerWaalsContact O-CB 3.27Å; S146-K150 WeakPolarHBondContact O-CB 3.29Å; S146-K150 PolarHBondContact O-N 3.41Å; V148-K150 VanDerWaalsContact C-N 3.33Å; V148-K150 PolarHBondContact O-N 3.49Å; K150-F152 VanDerWaalsContact C-N 3.3Å; K150-F152 PolarHBondContact O-N 3.44Å; K150-Y153 PolarHBondContact O-N 3.25Å; K150-E154 WeakPolarHBondContact CE-OE1 3.46Å; K150-E154 WeakPolarHBondContact O-CG 3.23Å; K150-E154 PolarHBondContact O-N 2.72Å
151	F	64.7	Low	64.1	Low	18 Å²	18	71.6 Å²	71.6	8%	0.079	36%	0.355	C	S	.	.	H	α-helix	trans	-58.7	-44	176.5	176.1	-92.9	0	0	0	111.2	I137 D147 V148 D149 Y153 E154 V155 V180 I183 K184	I137-F151 HydrophobicContact CG2-CD2 3.79Å; I137-F151 HydrophobicContact CG2-CE2 3.95Å; D147-F151 WeakPolarHBondContact O-CB 3.42Å; D147-F151 PolarHBondContact O-N 2.79Å; V148-F151 PolarHBondContact O-N 3.22Å; D149-F151 PolarHBondContact O-N 2.95Å; F151-Y153 PolarHBondContact O-N 2.79Å; F151-E154 PolarHBondContact O-N 2.81Å; F151-V155 HydrophobicContact CD1-CG2 4.2Å; F151-V155 HydrophobicContact CD2-CG2 4.25Å; F151-V155 HydrophobicContact CE1-CG2 3.78Å; F151-V155 HydrophobicContact CE2-CG2 3.85Å; F151-V155 HydrophobicContact CG-CG2 4.42Å; F151-V155 HydrophobicContact CZ-CG2 3.61Å; F151-V155 WeakPolarHBondContact O-CB 3.45Å; F151-V155 VanDerWaalsContact O-CG2 3.32Å; F151-V155 WeakPolarHBondContact O-CG2 3.34Å; F151-V155 PolarHBondContact O-N 3.32Å; F151-V180 HydrophobicContact CZ-CG1 4.49Å; F151-I183 HydrophobicContact CE2-CG2 3.93Å; F151-I183 HydrophobicContact CZ-CG2 4.41Å; F151-K184 VanDerWaalsContact CE1-CE 3.49Å; F151-K184 HydrophobicContact CZ-CG 4.43Å
152	F	63.7	Low	63.9	Low	88 Å²	88	63.7 Å²	63.7	39%	0.386	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-43.4	178.6	-155.8	-85.7	0	0	0	111.7	V148 D149 K150 H156 I197	V148-F152 WeakPolarHBondContact O-CB 3.23Å; V148-F152 PolarHBondContact O-N 2.94Å; D149-F152 PolarHBondContact O-N 2.99Å; K150-F152 VanDerWaalsContact C-N 3.3Å; K150-F152 PolarHBondContact O-N 3.44Å; F152-H156 HydrophobicContact CD1-CB 4.43Å; F152-H156 WeakPolarHBondContact O-CB 3.3Å; F152-H156 PolarHBondContact O-N 3.31Å; F152-I197 HydrophobicContact CD2-CD1 4.42Å; F152-I197 HydrophobicContact CE2-CD1 3.81Å; F152-I197 HydrophobicContact CE2-CG1 4.08Å; F152-I197 HydrophobicContact CE2-CG2 4.02Å
153	Y	64.7	Low	63.7	Low	172 Å²	172	67.8 Å²	67.8	68%	0.675	33%	0.33	S	S	*	.	H	α-helix	trans	-64.4	-41.9	176.5	-79.1	-62.9	0	0	0	112.6	D149 K150 F151 G157	D149-Y153 HydrophobicContact CB-CD2 4.4Å; D149-Y153 HydrophobicContact CB-CE2 4.25Å; D149-Y153 WeakPolarHBondContact O-CD2 3.25Å; D149-Y153 PolarHBondContact O-N 2.68Å; K150-Y153 PolarHBondContact O-N 3.25Å; F151-Y153 PolarHBondContact O-N 2.79Å; Y153-G157 WeakPolarHBondContact O-CA 3.35Å; Y153-G157 PolarHBondContact O-N 3.23Å
154	E	64.5	Low	63.3	Low	71 Å²	71	66.2 Å²	66.2	33%	0.332	32%	0.321	S	S	.	.	H	α-helix	trans	-66.4	-48	179.2	-73	179.8	-175.2	0	0	111.3	I137 K150 F151 G157 A158	I137-E154 HydrophobicContact CD1-CB 4.08Å; I137-E154 HydrophobicContact CG1-CB 4.43Å; I137-E154 HydrophobicContact CG2-CB 4.39Å; K150-E154 WeakPolarHBondContact CE-OE1 3.46Å; K150-E154 WeakPolarHBondContact O-CG 3.23Å; K150-E154 PolarHBondContact O-N 2.72Å; F151-E154 PolarHBondContact O-N 2.81Å; E154-G157 PolarHBondContact O-N 3.01Å; E154-A158 WeakPolarHBondContact O-CB 3.12Å; E154-A158 PolarHBondContact O-N 3.38Å
155	V	64.7	Low	62.6	Low	21 Å²	21	63.4 Å²	63.4	13%	0.127	31%	0.305	C	S	.	.	H	α-helix	trans	-64.6	-49.3	177.6	172.2	0	0	0	0	111.3	I137 F151 G157 A158 I159 V180	I137-V155 HydrophobicContact CD1-CB 4.45Å; I137-V155 HydrophobicContact CD1-CG2 3.71Å; F151-V155 HydrophobicContact CD1-CG2 4.2Å; F151-V155 HydrophobicContact CD2-CG2 4.25Å; F151-V155 HydrophobicContact CE1-CG2 3.78Å; F151-V155 HydrophobicContact CE2-CG2 3.85Å; F151-V155 HydrophobicContact CG-CG2 4.42Å; F151-V155 HydrophobicContact CZ-CG2 3.61Å; F151-V155 WeakPolarHBondContact O-CB 3.45Å; F151-V155 VanDerWaalsContact O-CG2 3.32Å; F151-V155 WeakPolarHBondContact O-CG2 3.34Å; F151-V155 PolarHBondContact O-N 3.32Å; V155-G157 VanDerWaalsContact C-N 3.31Å; V155-G157 PolarHBondContact O-N 2.98Å; V155-A158 PolarHBondContact O-N 3.22Å; V155-I159 HydrophobicContact CG1-CD1 3.64Å; V155-I159 HydrophobicContact CG1-CG1 4.39Å; V155-I159 WeakPolarHBondContact O-CB 3.48Å; V155-I159 VanDerWaalsContact O-CG1 3.32Å; V155-I159 WeakPolarHBondContact O-CG1 3.25Å; V155-I159 PolarHBondContact O-N 3.25Å; V155-V180 HydrophobicContact CG1-CG1 4.12Å; V155-V180 HydrophobicContact CG2-CG1 4.28Å
156	H	64.2	Low	62.1	Low	90 Å²	90	57 Å²	57	42%	0.417	29%	0.288	S	S	.	.	H	α-helix	trans	-64.4	-37.1	180	-175.9	-105.2	0	0	0	111.7	F152 N160	F152-H156 HydrophobicContact CD1-CB 4.43Å; F152-H156 WeakPolarHBondContact O-CB 3.3Å; F152-H156 PolarHBondContact O-N 3.31Å; H156-N160 PolarHBondContact CE1-ND2 2.97Å; H156-N160 PolarHBondContact ND1-ND2 2.98Å; H156-N160 PolarHBondContact NE2-ND2 3.31Å; H156-N160 VanDerWaalsContact O-CB 3.29Å; H156-N160 WeakPolarHBondContact O-CB 3.49Å; H156-N160 PolarHBondContact O-N 2.86Å; H156-N160 PolarHBondContact O-ND2 2.76Å
157	G	61	Low	61.5	Low	16 Å²	16	53.9 Å²	53.9	17%	0.165	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-44	174.5	0	0	0	0	0	112.5	Y153 E154 V155 S161	Y153-G157 WeakPolarHBondContact O-CA 3.35Å; Y153-G157 PolarHBondContact O-N 3.23Å; E154-G157 PolarHBondContact O-N 3.01Å; V155-G157 VanDerWaalsContact C-N 3.31Å; V155-G157 PolarHBondContact O-N 2.98Å; G157-S161 WeakPolarHBondContact O-CB 3.38Å; G157-S161 PolarHBondContact O-N 2.74Å; G157-S161 PolarHBondContact O-OG 3.06Å
158	A	61.1	Low	61.1	Low	9 Å²	9	54.7 Å²	54.7	7%	0.074	27%	0.271	C	S	.	.	H	α-helix	trans	-67.4	-46.2	178.2	0	0	0	0	0	112.4	S134 E154 V155 N160 S161 L162	S134-A158 VanDerWaalsContact OG-CB 3.28Å; S134-A158 WeakPolarHBondContact OG-CB 3.32Å; E154-A158 WeakPolarHBondContact O-CB 3.12Å; E154-A158 PolarHBondContact O-N 3.38Å; V155-A158 PolarHBondContact O-N 3.22Å; A158-N160 PolarHBondContact O-N 3.35Å; A158-S161 WeakPolarHBondContact O-CB 3.04Å; A158-S161 PolarHBondContact O-N 2.9Å; A158-L162 PolarHBondContact O-N 3.35Å
159	I	60.5	Low	60.8	Low	46 Å²	46	55.7 Å²	55.7	24%	0.236	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-46.6	177.2	-71.3	172.9	0	0	0	111.4	V155 S161 L162 R163 L171	V155-I159 HydrophobicContact CG1-CD1 3.64Å; V155-I159 HydrophobicContact CG1-CG1 4.39Å; V155-I159 WeakPolarHBondContact O-CB 3.48Å; V155-I159 VanDerWaalsContact O-CG1 3.32Å; V155-I159 WeakPolarHBondContact O-CG1 3.25Å; V155-I159 PolarHBondContact O-N 3.25Å; I159-S161 VanDerWaalsContact C-N 3.27Å; I159-S161 PolarHBondContact O-N 3.42Å; I159-L162 PolarHBondContact O-N 2.84Å; I159-R163 WeakPolarHBondContact O-CB 3.38Å; I159-R163 PolarHBondContact O-N 3.14Å; I159-L171 HydrophobicContact CB-CD1 4.37Å; I159-L171 HydrophobicContact CG1-CD1 4.22Å; I159-L171 HydrophobicContact CG2-CD1 4.01Å
160	N	59.7	Low	60.3	Low	44 Å²	44	55.3 Å²	55.3	24%	0.235	28%	0.284	C	S	.	.	H	α-helix	trans	-66.1	-33.1	178.8	-78.7	-18.8	0	0	0	112.3	H156 A158 A164	H156-N160 PolarHBondContact CE1-ND2 2.97Å; H156-N160 PolarHBondContact ND1-ND2 2.98Å; H156-N160 PolarHBondContact NE2-ND2 3.31Å; H156-N160 VanDerWaalsContact O-CB 3.29Å; H156-N160 WeakPolarHBondContact O-CB 3.49Å; H156-N160 PolarHBondContact O-N 2.86Å; H156-N160 PolarHBondContact O-ND2 2.76Å; A158-N160 PolarHBondContact O-N 3.35Å; N160-A164 VanDerWaalsContact O-CB 3.29Å; N160-A164 WeakPolarHBondContact O-CB 3.41Å; N160-A164 PolarHBondContact O-N 3.1Å
161	S	59.4	Low	59.8	Low	5 Å²	5	51.4 Å²	51.4	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-51.7	173.2	-58	0	0	0	0	110.2	Y130 G157 A158 I159 R163 A164 Y165	Y130-S161 VanDerWaalsContact CE1-CB 3.49Å; Y130-S161 WeakPolarHBondContact CE1-OG 3.23Å; G157-S161 WeakPolarHBondContact O-CB 3.38Å; G157-S161 PolarHBondContact O-N 2.74Å; G157-S161 PolarHBondContact O-OG 3.06Å; A158-S161 WeakPolarHBondContact O-CB 3.04Å; A158-S161 PolarHBondContact O-N 2.9Å; I159-S161 VanDerWaalsContact C-N 3.27Å; I159-S161 PolarHBondContact O-N 3.42Å; S161-R163 VanDerWaalsContact C-N 3.34Å; S161-R163 PolarHBondContact O-N 3.12Å; S161-A164 WeakPolarHBondContact O-CB 3.16Å; S161-A164 PolarHBondContact O-N 2.92Å; S161-A164 VanDerWaalsContact O-N 3.07Å; S161-Y165 WeakPolarHBondContact O-CD2 3.25Å; S161-Y165 PolarHBondContact O-N 3.32Å
162	L	59.4	Low	59.2	Low	2 Å²	2	54.8 Å²	54.8	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-56.7	-45.2	177.4	-71.3	172.1	0	0	0	112.5	I127 V131 A158 I159 A164 Y165 C166 A167 L171	I127-L162 HydrophobicContact CB-CD2 4.48Å; I127-L162 HydrophobicContact CG2-CD2 3.95Å; V131-L162 HydrophobicContact CG2-CD2 4.11Å; A158-L162 PolarHBondContact O-N 3.35Å; I159-L162 PolarHBondContact O-N 2.84Å; L162-A164 VanDerWaalsContact C-N 3.3Å; L162-A164 PolarHBondContact O-N 2.79Å; L162-Y165 PolarHBondContact O-N 3.39Å; L162-C166 PolarHBondContact O-N 2.93Å; L162-A167 HydrophobicContact CB-CB 4.27Å; L162-A167 HydrophobicContact CD2-CB 4Å; L162-A167 WeakPolarHBondContact O-CB 3.48Å; L162-A167 PolarHBondContact O-N 3.14Å; L162-L171 HydrophobicContact CB-CD1 4.19Å; L162-L171 HydrophobicContact CD1-CD1 4.07Å
163	R	60.3	Low	58.7	Low	131 Å²	131	52.5 Å²	52.5	49%	0.494	29%	0.288	S	S	.	.	H	α-helix	trans	-58.4	-42.4	175.4	-176.9	-179.2	-66.2	168.1	-0.3	112	I159 S161 Y165 C166	I159-R163 WeakPolarHBondContact O-CB 3.38Å; I159-R163 PolarHBondContact O-N 3.14Å; S161-R163 VanDerWaalsContact C-N 3.34Å; S161-R163 PolarHBondContact O-N 3.12Å; R163-Y165 VanDerWaalsContact C-N 3.3Å; R163-Y165 PolarHBondContact O-N 3.19Å; R163-C166 PolarHBondContact O-N 2.93Å; R163-C166 VanDerWaalsContact O-N 3.11Å
164	A	56.7	Low	57.8	Low	43 Å²	43	54.4 Å²	54.4	36%	0.355	29%	0.294	S	S	.	.	H	α-helix	trans	-70.7	-26.1	-179.4	0	0	0	0	0	113.6	L60 N160 S161 L162 C166	L60-A164 HydrophobicContact CD1-CB 3.29Å; L60-A164 HydrophobicContact CD2-CB 3.33Å; L60-A164 HydrophobicContact CG-CB 3.91Å; N160-A164 VanDerWaalsContact O-CB 3.29Å; N160-A164 WeakPolarHBondContact O-CB 3.41Å; N160-A164 PolarHBondContact O-N 3.1Å; S161-A164 WeakPolarHBondContact O-CB 3.16Å; S161-A164 PolarHBondContact O-N 2.92Å; S161-A164 VanDerWaalsContact O-N 3.07Å; L162-A164 VanDerWaalsContact C-N 3.3Å; L162-A164 PolarHBondContact O-N 2.79Å; A164-C166 PolarHBondContact O-N 3.48Å
165	Y	53.9	Low	57	Low	28 Å²	28	56.1 Å²	56.1	11%	0.11	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	9.2	171	-68	-69.8	0	0	0	113.3	L60 Y63 V123 I126 Y130 S161 L162 R163 A167	L60-Y165 HydrophobicContact CD2-CE2 4.27Å; Y63-Y165 HydrophobicContact CD1-CE1 4.37Å; Y63-Y165 WeakPolarHBondContact CD2-OH 3.43Å; Y63-Y165 HydrophobicContact CE1-CE1 4.36Å; Y63-Y165 WeakPolarHBondContact CE2-OH 3.22Å; Y63-Y165 HydrophobicContact CG-CE1 4.43Å; V123-Y165 HydrophobicContact CG1-CD1 4.33Å; I126-Y165 HydrophobicContact CD1-CE1 4.28Å; I126-Y165 HydrophobicContact CG2-CD1 4.4Å; I126-Y165 HydrophobicContact CG2-CD2 4Å; I126-Y165 HydrophobicContact CG2-CE1 4Å; I126-Y165 HydrophobicContact CG2-CE2 3.64Å; I126-Y165 HydrophobicContact CG2-CG 4.42Å; Y130-Y165 HydrophobicContact CD2-CD2 4.29Å; Y130-Y165 HydrophobicContact CD2-CE2 4.1Å; Y130-Y165 HydrophobicContact CE2-CD2 4.17Å; Y130-Y165 AromaticContact CE2-CE2 3.53Å; Y130-Y165 HydrophobicContact CE2-CE2 3.53Å; S161-Y165 WeakPolarHBondContact O-CD2 3.25Å; S161-Y165 PolarHBondContact O-N 3.32Å; L162-Y165 PolarHBondContact O-N 3.39Å; R163-Y165 VanDerWaalsContact C-N 3.3Å; R163-Y165 PolarHBondContact O-N 3.19Å; Y165-A167 PolarHBondContact O-N 3.04Å; Y165-A167 VanDerWaalsContact O-N 3.13Å
166	C	56.2	Low	56.3	Low	57 Å²	57	56 Å²	56	39%	0.385	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	29.7	-176.3	-57.1	0	0	0	0	112.4	C22 L162 R163 A164 D168	C22-C166 VanDerWaalsContact CA-SG 3.6Å; C22-C166 HydrophobicContact CB-CB 3.99Å; C22-C166 WeakPolarHBondContact CB-SG 2.82Å; C22-C166 WeakPolarHBondContact SG-CB 3.45Å; C22-C166 CovalentContact SG-SG 2.04Å; C22-C166 PolarHBondContact SG-SG 2.94Å; L162-C166 PolarHBondContact O-N 2.93Å; R163-C166 PolarHBondContact O-N 2.93Å; R163-C166 VanDerWaalsContact O-N 3.11Å; A164-C166 PolarHBondContact O-N 3.48Å; C166-D168 PolarHBondContact O-N 3.18Å
167	A	57.4	Low	55.7	Low	4 Å²	4	55.5 Å²	55.5	3%	0.033	31%	0.309	C	S	.	.			trans	-80.9	43.2	176.2	0	0	0	0	0	110.4	I127 L162 Y165 A169 D170 L171	I127-A167 HydrophobicContact CB-CB 4.49Å; I127-A167 HydrophobicContact CD1-CB 3.51Å; I127-A167 HydrophobicContact CG1-CB 3.68Å; I127-A167 HydrophobicContact CG2-CB 3.99Å; L162-A167 HydrophobicContact CB-CB 4.27Å; L162-A167 HydrophobicContact CD2-CB 4Å; L162-A167 WeakPolarHBondContact O-CB 3.48Å; L162-A167 PolarHBondContact O-N 3.14Å; Y165-A167 PolarHBondContact O-N 3.04Å; Y165-A167 VanDerWaalsContact O-N 3.13Å; A167-A169 PolarHBondContact O-N 3.13Å; A167-D170 HydrophobicContact CB-CB 4.21Å; A167-D170 PolarHBondContact O-N 3.49Å; A167-D170 VanDerWaalsContact O-N 3.12Å; A167-L171 WeakPolarHBondContact O-CB 3.43Å; A167-L171 PolarHBondContact O-N 3.06Å
168	D	55.8	Low	55.2	Low	63 Å²	63	61.1 Å²	61.1	34%	0.337	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-30.7	-176.2	-73.4	-32.6	0	0	0	110.9	C166 S172	C166-D168 PolarHBondContact O-N 3.18Å; D168-S172 WeakPolarHBondContact O-CA 3.04Å; D168-S172 WeakPolarHBondContact O-CB 3.47Å; D168-S172 PolarHBondContact O-N 2.8Å
169	A	55.8	Low	54.8	Low	77 Å²	77	62.2 Å²	62.2	64%	0.636	34%	0.34	S	S	*	.	H	α-helix	trans	-65.8	-42.8	173.8	0	0	0	0	0	112.1	A167 S172 S173	A167-A169 PolarHBondContact O-N 3.13Å; A169-S172 PolarHBondContact O-N 3.32Å; A169-S173 PolarHBondContact O-N 3.49Å
170	D	54.4	Low	54.4	Low	63 Å²	63	61.1 Å²	61.1	34%	0.337	34%	0.335	S	S	.	.	H	α-helix	trans	-71.8	-35.1	177.6	-56.9	-63.3	0	0	0	111.4	I127 V131 A167 S173	I127-D170 HydrophobicContact CG2-CB 4.07Å; I127-D170 WeakPolarHBondContact CG2-OD2 3.37Å; V131-D170 HydrophobicContact CG2-CB 4.41Å; A167-D170 HydrophobicContact CB-CB 4.21Å; A167-D170 PolarHBondContact O-N 3.49Å; A167-D170 VanDerWaalsContact O-N 3.12Å; D170-S173 WeakPolarHBondContact O-CB 3.38Å; D170-S173 PolarHBondContact O-N 2.97Å; D170-S173 PolarHBondContact O-OG 2.82Å
171	L	58.3	Low	54.1	Low	32 Å²	32	61.3 Å²	61.3	17%	0.168	34%	0.343	C	S	.	.	H	α-helix	trans	-68.7	-36	173.2	-164.3	74.1	0	0	0	112.3	I159 L162 A167	I159-L171 HydrophobicContact CB-CD1 4.37Å; I159-L171 HydrophobicContact CG1-CD1 4.22Å; I159-L171 HydrophobicContact CG2-CD1 4.01Å; L162-L171 HydrophobicContact CB-CD1 4.19Å; L162-L171 HydrophobicContact CD1-CD1 4.07Å; A167-L171 WeakPolarHBondContact O-CB 3.43Å; A167-L171 PolarHBondContact O-N 3.06Å
172	S	52.6	Low	53.7	Low	89 Å²	89	64.2 Å²	64.2	62%	0.622	36%	0.364	S	S	*	.	H	α-helix	trans	-81.7	-14.7	178.3	-173.4	0	0	0	0	112.8	D168 A169 R174	D168-S172 WeakPolarHBondContact O-CA 3.04Å; D168-S172 WeakPolarHBondContact O-CB 3.47Å; D168-S172 PolarHBondContact O-N 2.8Å; A169-S172 PolarHBondContact O-N 3.32Å; S172-R174 PolarHBondContact O-N 3.47Å
173	S	52.5	Low	53.4	Low	39 Å²	39	66 Å²	66	27%	0.273	37%	0.373	S	S	.	.			trans	-56.9	105.6	171.9	75.5	0	0	0	0	108	A169 D170 T175 T176	A169-S173 PolarHBondContact O-N 3.49Å; D170-S173 WeakPolarHBondContact O-CB 3.38Å; D170-S173 PolarHBondContact O-N 2.97Å; D170-S173 PolarHBondContact O-OG 2.82Å; S173-T175 PolarHBondContact O-N 3.21Å; S173-T176 PolarHBondContact O-N 2.76Å; S173-T176 PolarHBondContact OG-OG1 3.03Å
174	R	45.8	Very low	53	Low	212 Å²	212	64.1 Å²	64.1	80%	0.8	37%	0.368	S	S	*	.	H	α-helix	trans	-49.7	-29.5	-176.3	-70.4	173	98.5	177.6	5.2	111.1	S172 T176 Q178	S172-R174 PolarHBondContact O-N 3.47Å; R174-T176 PolarHBondContact O-N 3.33Å; R174-Q178 WeakPolarHBondContact O-CA 3.23Å; R174-Q178 WeakPolarHBondContact O-CB 3.42Å; R174-Q178 PolarHBondContact O-N 2.96Å
175	T	46.6	Very low	52.7	Low	108 Å²	108	67.8 Å²	67.8	66%	0.663	38%	0.382	S	S	*	.	H	α-helix	trans	-57.5	-42.3	175.2	-37.6	0	0	0	0	114.3	S173 A179	S173-T175 PolarHBondContact O-N 3.21Å; T175-A179 VanDerWaalsContact O-CB 3.26Å; T175-A179 WeakPolarHBondContact O-CB 3.29Å; T175-A179 PolarHBondContact O-N 3.06Å
176	T	50.4	Low	52.5	Low	19 Å²	19	74.9 Å²	74.9	12%	0.117	42%	0.416	C	S	.	.	H	α-helix	trans	-74.6	-41.8	-176.6	-51.6	0	0	0	0	111.1	S173 R174 V180	S173-T176 PolarHBondContact O-N 2.76Å; S173-T176 PolarHBondContact OG-OG1 3.03Å; R174-T176 PolarHBondContact O-N 3.33Å; T176-V180 VanDerWaalsContact O-CG2 3.3Å; T176-V180 WeakPolarHBondContact O-CG2 3.47Å; T176-V180 PolarHBondContact O-N 3.46Å; T176-V180 VanDerWaalsContact O-N 3.12Å
177	L	51.4	Low	52.1	Low	78 Å²	78	76.6 Å²	76.6	41%	0.408	42%	0.418	S	S	.	.	H	α-helix	trans	-71	-35.5	174.3	-73.3	172.2	0	0	0	112.4	V180 A181	L177-V180 PolarHBondContact O-N 3.44Å; L177-A181 WeakPolarHBondContact O-CB 3.48Å; L177-A181 PolarHBondContact O-N 3.45Å
178	Q	51.3	Low	51.5	Low	135 Å²	135	78.8 Å²	78.8	63%	0.631	44%	0.437	S	S	*	.	H	α-helix	trans	-70.5	-35.3	176.5	-173.4	170.2	-5	0	0	111.7	R174 A181 S182	R174-Q178 WeakPolarHBondContact O-CA 3.23Å; R174-Q178 WeakPolarHBondContact O-CB 3.42Å; R174-Q178 PolarHBondContact O-N 2.96Å; Q178-A181 PolarHBondContact O-N 2.86Å; Q178-S182 VanDerWaalsContact O-CB 3.22Å; Q178-S182 WeakPolarHBondContact O-CB 3.46Å; Q178-S182 PolarHBondContact O-N 3.23Å
179	A	51.6	Low	51	Low	31 Å²	31	84 Å²	84	26%	0.256	47%	0.465	S	S	.	.	H	α-helix	trans	-65.5	-46.2	171.9	0	0	0	0	0	111.5	L135 T175 A181 S182 I183	L135-A179 HydrophobicContact CD2-CB 3.97Å; T175-A179 VanDerWaalsContact O-CB 3.26Å; T175-A179 WeakPolarHBondContact O-CB 3.29Å; T175-A179 PolarHBondContact O-N 3.06Å; A179-A181 VanDerWaalsContact C-N 3.3Å; A179-A181 PolarHBondContact O-N 3.24Å; A179-S182 PolarHBondContact O-N 3.12Å; A179-I183 VanDerWaalsContact O-CG1 3.31Å; A179-I183 WeakPolarHBondContact O-CG1 3.46Å; A179-I183 PolarHBondContact O-N 3.04Å
180	V	52.4	Low	50.3	Low	23 Å²	23	84.4 Å²	84.4	14%	0.139	47%	0.468	C	S	.	.	H	α-helix	trans	-64.8	-33.5	176	174.8	0	0	0	0	112.1	F151 V155 T176 L177	F151-V180 HydrophobicContact CZ-CG1 4.49Å; V155-V180 HydrophobicContact CG1-CG1 4.12Å; V155-V180 HydrophobicContact CG2-CG1 4.28Å; T176-V180 VanDerWaalsContact O-CG2 3.3Å; T176-V180 WeakPolarHBondContact O-CG2 3.47Å; T176-V180 PolarHBondContact O-N 3.46Å; T176-V180 VanDerWaalsContact O-N 3.12Å; L177-V180 PolarHBondContact O-N 3.44Å
181	A	53	Low	49.7	Very low	48 Å²	48	85.7 Å²	85.7	40%	0.397	47%	0.474	S	S	.	.	H	α-helix	trans	-73.3	-36.7	173.1	0	0	0	0	0	112.5	L177 Q178 A179 I183 K184 D185	L177-A181 WeakPolarHBondContact O-CB 3.48Å; L177-A181 PolarHBondContact O-N 3.45Å; Q178-A181 PolarHBondContact O-N 2.86Å; A179-A181 VanDerWaalsContact C-N 3.3Å; A179-A181 PolarHBondContact O-N 3.24Å; A181-I183 VanDerWaalsContact C-N 3.3Å; A181-I183 PolarHBondContact O-N 2.9Å; A181-K184 WeakPolarHBondContact O-CA 3.37Å; A181-K184 VanDerWaalsContact O-CB 3.31Å; A181-K184 WeakPolarHBondContact O-CB 3.44Å; A181-K184 PolarHBondContact O-N 2.89Å; A181-D185 PolarHBondContact O-N 3.13Å
182	S	51.8	Low	48.5	Very low	67 Å²	67	95.6 Å²	95.6	47%	0.469	51%	0.511	S	S	.	.	H	α-helix	trans	-66.2	-33.1	176.2	-168.4	0	0	0	0	112	Q178 A179 K184 D185 E186	Q178-S182 VanDerWaalsContact O-CB 3.22Å; Q178-S182 WeakPolarHBondContact O-CB 3.46Å; Q178-S182 PolarHBondContact O-N 3.23Å; A179-S182 PolarHBondContact O-N 3.12Å; S182-K184 PolarHBondContact O-N 3.39Å; S182-D185 PolarHBondContact O-N 3.3Å; S182-E186 PolarHBondContact O-N 3.25Å
183	I	53.7	Low	47.9	Very low	39 Å²	39	96.8 Å²	96.8	20%	0.2	51%	0.514	C	S	.	.	H	α-helix	trans	-61	-25.2	170.8	-68.7	166.8	0	0	0	111.3	P139 F151 A179 A181	P139-I183 HydrophobicContact CB-CG2 3.97Å; F151-I183 HydrophobicContact CE2-CG2 3.93Å; F151-I183 HydrophobicContact CZ-CG2 4.41Å; A179-I183 VanDerWaalsContact O-CG1 3.31Å; A179-I183 WeakPolarHBondContact O-CG1 3.46Å; A179-I183 PolarHBondContact O-N 3.04Å; A181-I183 VanDerWaalsContact C-N 3.3Å; A181-I183 PolarHBondContact O-N 2.9Å
184	K	51.3	Low	47.1	Very low	91 Å²	91	100 Å²	100	40%	0.396	53%	0.528	S	S	.	.	H	α-helix	trans	-86.6	-39	173.8	-67.6	-170.1	171.2	-168.5	0	113.1	F151 A181 S182 E186 Q187 A188	F151-K184 VanDerWaalsContact CE1-CE 3.49Å; F151-K184 HydrophobicContact CZ-CG 4.43Å; A181-K184 WeakPolarHBondContact O-CA 3.37Å; A181-K184 VanDerWaalsContact O-CB 3.31Å; A181-K184 WeakPolarHBondContact O-CB 3.44Å; A181-K184 PolarHBondContact O-N 2.89Å; S182-K184 PolarHBondContact O-N 3.39Å; K184-E186 PolarHBondContact O-N 2.87Å; K184-Q187 PolarHBondContact O-N 2.7Å; K184-A188 VanDerWaalsContact O-CB 3.25Å; K184-A188 WeakPolarHBondContact O-CB 3.33Å; K184-A188 PolarHBondContact O-N 3.09Å
185	D	50.6	Low	46.7	Very low	121 Å²	121	99 Å²	99	65%	0.647	53%	0.53	S	S	*	.	H	α-helix	trans	-68.3	-31.1	-175.2	-91.6	-9.5	0	0	0	113.3	A181 S182 Q187 A188	A181-D185 PolarHBondContact O-N 3.13Å; S182-D185 PolarHBondContact O-N 3.3Å; D185-Q187 PolarHBondContact O-N 3.11Å; D185-Q187 VanDerWaalsContact O-N 3.1Å; D185-A188 PolarHBondContact O-N 3.5Å
186	E	49.4	Very low	46.3	Very low	176 Å²	176	101 Å²	101	82%	0.822	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-11.5	175.3	-103.9	-178	173.2	0	0	114	S182 K184	S182-E186 PolarHBondContact O-N 3.25Å; K184-E186 PolarHBondContact O-N 2.87Å
187	Q	47.4	Very low	45.8	Very low	93 Å²	93	103.9 Å²	103.9	44%	0.435	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	0.7	175.7	-64.4	-157.4	29.1	0	0	114.7	M140 K184 D185 D189	M140-Q187 VanDerWaalsContact O-CD 3.23Å; M140-Q187 PolarHBondContact O-NE2 3.23Å; M140-Q187 PolarHBondContact O-OE1 3.24Å; M140-Q187 VanDerWaalsContact O-OE1 3.08Å; K184-Q187 PolarHBondContact O-N 2.7Å; D185-Q187 PolarHBondContact O-N 3.11Å; D185-Q187 VanDerWaalsContact O-N 3.1Å; Q187-D189 VanDerWaalsContact C-N 3.3Å; Q187-D189 PolarHBondContact O-N 3.31Å
188	A	46	Very low	45.2	Very low	51 Å²	51	106.7 Å²	106.7	42%	0.421	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.8	-6.8	-178.7	0	0	0	0	0	114.2	K184 D185 A190	K184-A188 VanDerWaalsContact O-CB 3.25Å; K184-A188 WeakPolarHBondContact O-CB 3.33Å; K184-A188 PolarHBondContact O-N 3.09Å; D185-A188 PolarHBondContact O-N 3.5Å; A188-A190 PolarHBondContact O-N 3.04Å
189	D	44.4	Very low	44.4	Very low	173 Å²	173	108.9 Å²	108.9	93%	0.925	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-7.5	172.6	-88.2	-13.7	0	0	0	113.6	Q187	Q187-D189 VanDerWaalsContact C-N 3.3Å; Q187-D189 PolarHBondContact O-N 3.31Å
190	A	42.3	Very low	43.9	Very low	85 Å²	85	113.6 Å²	113.6	70%	0.702	58%	0.579	S	S	*	*	S	Bend	trans	-107.6	-24.7	-178.6	0	0	0	0	0	115.3	A188	A188-A190 PolarHBondContact O-N 3.04Å
191	I	40.3	Very low	43.1	Very low	90 Å²	90	116.8 Å²	116.8	46%	0.462	60%	0.602	S	S	.	*			trans	-144	103.7	-168.5	-61.2	177.9	0	0	0	113.2	S143 V193	S143-I191 WeakPolarHBondContact OG-CD1 2.96Å; I191-V193 HydrophobicContact CG2-CG2 3.74Å; I191-V193 PolarHBondContact O-N 3.1Å
192	Y	33.3	Very low	42.2	Very low	239 Å²	239	118.8 Å²	118.8	94%	0.937	61%	0.61	S	S	*	*			trans	-58	83.7	168.6	-153.4	-95.8	0	0	0	111.9
193	V	39.9	Very low	41.4	Very low	115 Å²	115	120.7 Å²	120.7	70%	0.697	62%	0.619	S	S	*	*			trans	-133.6	99.3	169.8	-176.5	0	0	0	0	112.3	I191	I191-V193 HydrophobicContact CG2-CG2 3.74Å; I191-V193 PolarHBondContact O-N 3.1Å
194	D	35.5	Very low	40.5	Very low	106 Å²	106	125 Å²	125	57%	0.567	65%	0.647	S	S	*	*			trans	68.3	99.8	138.3	-150.8	28	0	0	0	118.9	K196	D194-K196 PolarHBondContact O-N 2.77Å; D194-K196 WeakPolarHBondContact OD2-CB 3.12Å
195	K	37.7	Very low	39.9	Very low	192 Å²	192	126.4 Å²	126.4	84%	0.835	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	24.1	170.9	-72.3	175	169.9	173.7	0	115.1
196	K	38.5	Very low	39.2	Very low	149 Å²	149	130 Å²	130	65%	0.648	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-26.2	-173.8	-127.7	176.8	-176.9	-178.4	0	114.2	D194 I198 R199	D194-K196 PolarHBondContact O-N 2.77Å; D194-K196 WeakPolarHBondContact OD2-CB 3.12Å; K196-I198 VanDerWaalsContact C-N 3.34Å; K196-I198 PolarHBondContact O-N 3.44Å; K196-R199 PolarHBondContact O-N 3.07Å
197	I	39.7	Very low	38.7	Very low	80 Å²	80	126.3 Å²	126.3	41%	0.41	68%	0.675	S	S	.	*	G	3₁₀ helix	trans	-76.7	-21.9	-176.7	-64.3	165.6	0	0	0	112.3	F152	F152-I197 HydrophobicContact CD2-CD1 4.42Å; F152-I197 HydrophobicContact CE2-CD1 3.81Å; F152-I197 HydrophobicContact CE2-CG1 4.08Å; F152-I197 HydrophobicContact CE2-CG2 4.02Å
198	I	39.2	Very low	38.2	Very low	136 Å²	136	130 Å²	130	70%	0.697	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-81.6	-16	177.6	-62.9	171.9	0	0	0	112.2	K196 I200	K196-I198 VanDerWaalsContact C-N 3.34Å; K196-I198 PolarHBondContact O-N 3.44Å; I198-I200 VanDerWaalsContact C-N 3.35Å; I198-I200 PolarHBondContact O-N 3.22Å
199	R	35.2	Very low	37.6	Very low	182 Å²	182	131 Å²	131	69%	0.687	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-80.9	-10.3	-174.6	-139.6	178.3	-165.9	130.3	-0.6	114.7	K196 S201	K196-R199 PolarHBondContact O-N 3.07Å; R199-S201 VanDerWaalsContact C-N 3.31Å
200	I	39.5	Very low	37.4	Very low	130 Å²	130	132 Å²	132	67%	0.667	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-81.8	-14.5	179.3	-52.8	178.1	0	0	0	111.2	I198	I198-I200 VanDerWaalsContact C-N 3.35Å; I198-I200 PolarHBondContact O-N 3.22Å
201	S	36.2	Very low	37.3	Very low	90 Å²	90	143.4 Å²	143.4	63%	0.629	74%	0.735	S	S	*	*	S	Bend	trans	-106.7	-2.4	-176.2	-53.2	0	0	0	0	114.7	R199	R199-S201 VanDerWaalsContact C-N 3.31Å
202	T	35.4	Very low	37.1	Very low	90 Å²	90	146.1 Å²	146.1	55%	0.552	75%	0.749	S	S	*	*	S	Bend	trans	-118.4	7.4	-174	56.7	0	0	0	0	115
203	T	33.1	Very low	37.3	Very low	107 Å²	107	141.2 Å²	141.2	66%	0.656	74%	0.739	S	S	*	*	S	Bend	trans	-100.7	25.9	-178.2	46.7	0	0	0	0	114.7
204	T	36.1	Very low	37.2	Very low	130 Å²	130	142.7 Å²	142.7	80%	0.798	74%	0.741	S	S	*	*	S	Bend	trans	-131.7	11	173.7	-43.8	0	0	0	0	114.9
205	S	37.8	Very low	37.3	Very low	120 Å²	120	144.8 Å²	144.8	84%	0.839	75%	0.752	S	S	*	*	S	Bend	trans	-121	16.2	173.9	-88.9	0	0	0	0	115.7
206	Q	37.3	Very low	37.2	Very low	195 Å²	195	141.9 Å²	141.9	91%	0.911	75%	0.746	S	S	*	*			trans	-115.4	67.1	169.4	-73.8	-173.1	-15.7	0	0	110.7
207	S	38	Very low	37.1	Very low	100 Å²	100	141.4 Å²	141.4	70%	0.699	75%	0.753	S	S	*	*	S	Bend	trans	-111.5	95.5	160.1	163.9	0	0	0	0	107.6
208	L	37.5	Very low	37	Very low	171 Å²	171	145.8 Å²	145.8	90%	0.895	78%	0.777	S	S	*	*			trans	63	82.6	146.8	-69.2	145.7	0	0	0	117.3
209	G	33	Very low	36.8	Very low	70 Å²	70	146.5 Å²	146.5	72%	0.722	78%	0.784	S	S	*	*			trans	-145.2	76.7	155.4	0	0	0	0	0	109.2
210	H	39.8	Very low	36.9	Very low	196 Å²	196	143.6 Å²	143.6	91%	0.907	79%	0.792	S	S	*	*			trans	-171	89.5	160.2	-105.4	-63.6	0	0	0	111
211	R	39.5	Very low	36.7	Very low	324 Å²	324	144.8 Å²	144.8	100%	1.223	80%	0.803	S	S	*	*				-166	0	123.1	-108.2	-174.4	-178.4	-160.8	0.7	109.3

Retrieved 211 of 211 residues in 51.7 ms (Link to these results)

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