A0A077ZIU1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIU1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 328 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	25.3	Very low	26.3	Very low	244 Å²	244	127.8 Å²	127.8	100%	1.202	71%	0.708	S	S	*	*				0	89	0	-71.2	171.8	171.2	0	0	106.5	S3	M1-S3 PolarHBondContact O-N 3.45Å
2	N	26.7	Very low	26.2	Very low	141 Å²	141	122.6 Å²	122.6	75%	0.754	69%	0.693	S	S	*	*			trans	-87.6	113.7	-179.7	-110.8	12.4	0	0	0	107.4
3	S	24.3	Very low	26.5	Very low	91 Å²	91	119.5 Å²	119.5	64%	0.636	67%	0.665	S	S	*	*			trans	-26.1	130.7	167.1	49.8	0	0	0	0	111.9	M1 V5	M1-S3 PolarHBondContact O-N 3.45Å; S3-V5 VanDerWaalsContact C-N 3.27Å; S3-V5 PolarHBondContact O-N 2.84Å
4	D	24.7	Very low	26.5	Very low	154 Å²	154	120.6 Å²	120.6	82%	0.824	67%	0.668	S	S	*	*			trans	-42.1	94.4	163.6	-68	-52.1	0	0	0	109.2	Q6	D4-Q6 PolarHBondContact O-N 2.72Å
5	V	26.1	Very low	26.5	Very low	118 Å²	118	122.9 Å²	122.9	72%	0.715	68%	0.677	S	S	*	*			trans	-75	80	164.9	-176.9	0	0	0	0	103.2	S3 L7	S3-V5 VanDerWaalsContact C-N 3.27Å; S3-V5 PolarHBondContact O-N 2.84Å; V5-L7 PolarHBondContact O-N 2.93Å
6	Q	21.8	Very low	26.6	Very low	177 Å²	177	122.3 Å²	122.3	83%	0.827	67%	0.673	S	S	*	*			trans	-54.9	109.9	164.6	-87.3	-175.2	-16.3	0	0	105.7	D4	D4-Q6 PolarHBondContact O-N 2.72Å
7	L	27.9	Very low	27.2	Very low	138 Å²	138	117.2 Å²	117.2	72%	0.723	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-50.7	137.5	168.8	-66.5	165.4	0	0	0	107.2	V5 D9	V5-L7 PolarHBondContact O-N 2.93Å; L7-D9 PolarHBondContact O-N 3.25Å
8	P	26.3	Very low	27.6	Very low	105 Å²	105	119.2 Å²	119.2	68%	0.682	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-57.6	131.3	174	14.9	-20.7	0	0	0	109.3	T10	P8-T10 WeakPolarHBondContact O-CG2 2.85Å; P8-T10 PolarHBondContact O-N 2.83Å
9	D	26.8	Very low	28.1	Very low	127 Å²	127	120.9 Å²	120.9	68%	0.679	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-56.9	121.1	175.9	-179.8	1.5	0	0	0	109.7	L7 S11	L7-D9 PolarHBondContact O-N 3.25Å; D9-S11 WeakPolarHBondContact OD1-CB 3.41Å; D9-S11 PolarHBondContact OD1-N 2.75Å; D9-S11 VanDerWaalsContact OD1-N 3.17Å; D9-S11 PolarHBondContact OD1-OG 3.17Å
10	T	29.9	Very low	28.6	Very low	39 Å²	39	120.3 Å²	120.3	24%	0.239	66%	0.655	C	S	.	*			trans	-115.5	8.9	-172.4	57.2	0	0	0	0	114.7	P8 A12 Y13 Y64	P8-T10 WeakPolarHBondContact O-CG2 2.85Å; P8-T10 PolarHBondContact O-N 2.83Å; T10-A12 PolarHBondContact O-N 3.27Å; T10-A12 VanDerWaalsContact O-N 3.12Å; T10-Y13 HydrophobicContact CG2-CD2 3.93Å; T10-Y13 HydrophobicContact CG2-CE2 4.05Å; T10-Y13 PolarHBondContact O-N 2.67Å; T10-Y64 WeakPolarHBondContact CB-OH 3.11Å; T10-Y64 WeakPolarHBondContact CG2-OH 3.05Å; T10-Y64 PolarHBondContact OG1-OH 3.31Å
11	S	29.1	Very low	29.1	Very low	72 Å²	72	117.5 Å²	117.5	50%	0.503	64%	0.639	S	S	.	*	H	α-helix	trans	-52.9	-32.3	173.2	54	0	0	0	0	112.7	D9 Y13	D9-S11 WeakPolarHBondContact OD1-CB 3.41Å; D9-S11 PolarHBondContact OD1-N 2.75Å; D9-S11 VanDerWaalsContact OD1-N 3.17Å; D9-S11 PolarHBondContact OD1-OG 3.17Å; S11-Y13 VanDerWaalsContact C-N 3.29Å; S11-Y13 PolarHBondContact O-N 3.28Å
12	A	25.5	Very low	29.7	Very low	65 Å²	65	107.8 Å²	107.8	54%	0.537	59%	0.592	S	S	.	*	H	α-helix	trans	-67.3	-17.8	175.9	0	0	0	0	0	115.2	T10	T10-A12 PolarHBondContact O-N 3.27Å; T10-A12 VanDerWaalsContact O-N 3.12Å
13	Y	29.7	Very low	30.2	Very low	83 Å²	83	104.3 Å²	104.3	33%	0.325	58%	0.577	S	S	.	*	H	α-helix	trans	-92.3	-17.9	-175.3	-63.4	-87.2	0	0	0	114.3	T10 S11 N17 Y63	T10-Y13 HydrophobicContact CG2-CD2 3.93Å; T10-Y13 HydrophobicContact CG2-CE2 4.05Å; T10-Y13 PolarHBondContact O-N 2.67Å; S11-Y13 VanDerWaalsContact C-N 3.29Å; S11-Y13 PolarHBondContact O-N 3.28Å; Y13-N17 PolarHBondContact O-ND2 3.27Å; Y13-Y63 HydrophobicContact CD1-CE1 4.38Å
14	L	26.9	Very low	30.7	Very low	134 Å²	134	107.4 Å²	107.4	70%	0.702	58%	0.575	S	S	*	*	H	α-helix	trans	-85.8	-31.5	-174.3	-79	164	0	0	0	113.6
15	L	26.6	Very low	31.3	Very low	155 Å²	155	105.4 Å²	105.4	81%	0.812	57%	0.573	S	S	*	*	H	α-helix	trans	-105.4	-33.4	-168.5	-84.7	145.2	0	0	0	114.4
16	D	28.6	Very low	31.7	Very low	114 Å²	114	108.7 Å²	108.7	61%	0.61	57%	0.573	S	S	*	*	S	Bend	trans	-91.5	-8.8	-175.4	-76.9	-22.3	0	0	0	114.6
17	N	36	Very low	32.4	Very low	36 Å²	36	101.8 Å²	101.8	19%	0.193	54%	0.541	C	S	.	.	G	3₁₀ helix	trans	-84.9	-17.2	-166.2	-86.3	-26.3	0	0	0	116.4	Y13 N19 N20 L21	Y13-N17 PolarHBondContact O-ND2 3.27Å; N17-N19 PolarHBondContact O-N 3.12Å; N17-N19 VanDerWaalsContact O-N 3.14Å; N17-N20 PolarHBondContact O-N 3.15Å; N17-L21 PolarHBondContact O-N 2.93Å
18	M	35.5	Very low	33	Very low	152 Å²	152	98.3 Å²	98.3	75%	0.749	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-58.7	-28.8	174.4	-72.5	-76.1	-87.9	0	0	111.7
19	N	35.4	Very low	33.6	Very low	153 Å²	153	98.2 Å²	98.2	82%	0.818	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-89.2	-13.7	177.4	-69.3	-25.5	0	0	0	114.3	N17	N17-N19 PolarHBondContact O-N 3.12Å; N17-N19 VanDerWaalsContact O-N 3.14Å
20	N	38.4	Very low	33.9	Very low	108 Å²	108	95.2 Å²	95.2	58%	0.578	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-2.8	-177	-72.2	-31	0	0	0	113.9	N17 I22	N17-N20 PolarHBondContact O-N 3.15Å; N20-I22 PolarHBondContact O-N 3.31Å; N20-I22 VanDerWaalsContact O-N 3.11Å
21	L	38.7	Very low	34.3	Very low	61 Å²	61	99.5 Å²	99.5	32%	0.319	51%	0.511	S	S	.	.			trans	-69.5	108.3	172.1	-68	173.8	0	0	0	109.3	N17 P23 N49 Y52	N17-L21 PolarHBondContact O-N 2.93Å; L21-P23 WeakPolarHBondContact O-CD 3.25Å; L21-N49 HydrophobicContact CD2-CB 4.48Å; L21-N49 WeakPolarHBondContact CD2-OD1 3.45Å; L21-Y52 HydrophobicContact CD2-CD2 4.44Å
22	I	38.7	Very low	34.8	Very low	40 Å²	40	97.1 Å²	97.1	21%	0.205	49%	0.491	C	S	.	.			trans	-56.6	122	171.5	-59.1	172.7	0	0	0	108.4	N20 R24 R26 L27 H32 Y46 N49	N20-I22 PolarHBondContact O-N 3.31Å; N20-I22 VanDerWaalsContact O-N 3.11Å; I22-R24 PolarHBondContact O-N 3.44Å; I22-R26 HydrophobicContact CG2-CB 3.56Å; I22-L27 HydrophobicContact CB-CD2 3.84Å; I22-L27 HydrophobicContact CB-CG 4.38Å; I22-L27 HydrophobicContact CD1-CD2 4.49Å; I22-L27 HydrophobicContact CG2-CD2 3.85Å; I22-L27 HydrophobicContact CG2-CG 4.11Å; I22-H32 WeakPolarHBondContact CD1-NE2 3.29Å; I22-Y46 HydrophobicContact CD1-CD1 4.23Å; I22-Y46 HydrophobicContact CD1-CE1 3.61Å; I22-N49 WeakPolarHBondContact CB-ND2 3.44Å; I22-N49 PolarHBondContact N-ND2 3.03Å
23	P	38.4	Very low	35.4	Very low	69 Å²	69	96.5 Å²	96.5	45%	0.448	48%	0.479	S	S	.	.			trans	-53.6	141.6	177.6	-25.5	32.6	0	0	0	111	L21 S25 R26 L27	L21-P23 WeakPolarHBondContact O-CD 3.25Å; P23-S25 PolarHBondContact O-N 3.05Å; P23-R26 WeakPolarHBondContact O-CA 3.15Å; P23-R26 PolarHBondContact O-N 3.25Å; P23-L27 PolarHBondContact O-N 2.95Å
24	R	33.8	Very low	35.7	Very low	155 Å²	155	99.9 Å²	99.9	59%	0.585	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-32.5	178.3	-173.5	-177.8	-178.7	155.7	-2.9	113.6	I22 R26 L27 S53	I22-R24 PolarHBondContact O-N 3.44Å; R24-R26 VanDerWaalsContact C-N 3.28Å; R24-R26 PolarHBondContact O-N 2.56Å; R24-L27 PolarHBondContact O-N 3.02Å; R24-S53 VanDerWaalsContact CD-O 3.29Å; R24-S53 WeakPolarHBondContact CD-O 3.49Å; R24-S53 PolarHBondContact NH1-O 3.23Å
25	S	37.2	Very low	36.1	Very low	113 Å²	113	97.5 Å²	97.5	79%	0.79	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.5	176.7	53.5	0	0	0	0	114.6	P23	P23-S25 PolarHBondContact O-N 3.05Å
26	R	34.2	Very low	36.7	Very low	187 Å²	187	92.7 Å²	92.7	71%	0.706	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-9.1	179.3	-66.7	-172.6	66.9	-174.3	0.3	113.1	I22 P23 R24 D28	I22-R26 HydrophobicContact CG2-CB 3.56Å; P23-R26 WeakPolarHBondContact O-CA 3.15Å; P23-R26 PolarHBondContact O-N 3.25Å; R24-R26 VanDerWaalsContact C-N 3.28Å; R24-R26 PolarHBondContact O-N 2.56Å; R26-D28 PolarHBondContact O-N 3.46Å
27	L	37.9	Very low	37.3	Very low	31 Å²	31	91.9 Å²	91.9	16%	0.162	46%	0.461	C	S	.	.			trans	-70.7	100	172.3	-72.5	178.5	0	0	0	109.1	I22 P23 R24 Y29 H32 S53	I22-L27 HydrophobicContact CB-CD2 3.84Å; I22-L27 HydrophobicContact CB-CG 4.38Å; I22-L27 HydrophobicContact CD1-CD2 4.49Å; I22-L27 HydrophobicContact CG2-CD2 3.85Å; I22-L27 HydrophobicContact CG2-CG 4.11Å; P23-L27 PolarHBondContact O-N 2.95Å; R24-L27 PolarHBondContact O-N 3.02Å; L27-Y29 PolarHBondContact O-N 2.83Å; L27-H32 HydrophobicContact CD2-CB 4.27Å; L27-S53 WeakPolarHBondContact CD1-OG 3.49Å
28	D	39.2	Very low	37.7	Very low	65 Å²	65	97 Å²	97	35%	0.348	49%	0.488	S	S	.	.			trans	-74.9	108.4	159.1	-172	-13.5	0	0	0	108.1	R26 I30 E31 H32	R26-D28 PolarHBondContact O-N 3.46Å; D28-I30 PolarHBondContact O-N 3.16Å; D28-I30 VanDerWaalsContact OD1-CB 3.25Å; D28-I30 WeakPolarHBondContact OD1-CB 3.21Å; D28-I30 WeakPolarHBondContact OD1-CG1 3.46Å; D28-I30 PolarHBondContact OD1-N 2.97Å; D28-E31 HydrophobicContact CB-CB 4.35Å; D28-E31 PolarHBondContact O-N 3.15Å; D28-H32 PolarHBondContact N-CE1 2.98Å; D28-H32 PolarHBondContact N-ND1 3.45Å; D28-H32 VanDerWaalsContact O-CB 3.31Å; D28-H32 WeakPolarHBondContact O-CB 3.49Å; D28-H32 PolarHBondContact O-N 2.85Å; D28-H32 PolarHBondContact O-ND1 2.84Å
29	Y	39	Very low	38.3	Very low	104 Å²	104	93 Å²	93	41%	0.408	47%	0.47	S	S	.	.	H	α-helix	trans	-55.9	-23.8	177.8	68.4	-85.6	0	0	0	112.7	L27 I89	L27-Y29 PolarHBondContact O-N 2.83Å; Y29-I89 HydrophobicContact CD2-CG2 4.16Å; Y29-I89 HydrophobicContact CE2-CG2 4.24Å
30	I	34.1	Very low	38.7	Very low	63 Å²	63	94.9 Å²	94.9	32%	0.323	47%	0.466	S	S	.	.	H	α-helix	trans	-75.5	-50.5	179	-56.2	176.8	0	0	0	111.1	D28	D28-I30 PolarHBondContact O-N 3.16Å; D28-I30 VanDerWaalsContact OD1-CB 3.25Å; D28-I30 WeakPolarHBondContact OD1-CB 3.21Å; D28-I30 WeakPolarHBondContact OD1-CG1 3.46Å; D28-I30 PolarHBondContact OD1-N 2.97Å
31	E	38.4	Very low	39.1	Very low	129 Å²	129	95 Å²	95	60%	0.603	47%	0.466	S	S	*	.	H	α-helix	trans	-76.4	-37.4	-179.4	-84.1	-170.2	151.4	0	0	112.8	D28 R34	D28-E31 HydrophobicContact CB-CB 4.35Å; D28-E31 PolarHBondContact O-N 3.15Å; E31-R34 VanDerWaalsContact O-CB 3.22Å; E31-R34 WeakPolarHBondContact O-CB 2.8Å; E31-R34 PolarHBondContact O-N 3.13Å
32	H	39.2	Very low	39.6	Very low	22 Å²	22	94.3 Å²	94.3	10%	0.102	47%	0.465	C	S	.	.	H	α-helix	trans	-83.8	-33.4	-166.7	-62.7	68.6	0	0	0	111.6	I22 L27 D28 R34 Y46	I22-H32 WeakPolarHBondContact CD1-NE2 3.29Å; L27-H32 HydrophobicContact CD2-CB 4.27Å; D28-H32 PolarHBondContact N-CE1 2.98Å; D28-H32 PolarHBondContact N-ND1 3.45Å; D28-H32 VanDerWaalsContact O-CB 3.31Å; D28-H32 WeakPolarHBondContact O-CB 3.49Å; D28-H32 PolarHBondContact O-N 2.85Å; D28-H32 PolarHBondContact O-ND1 2.84Å; H32-R34 PolarHBondContact O-N 3.12Å; H32-Y46 HydrophobicContact CB-CD1 3.82Å; H32-Y46 HydrophobicContact CB-CE1 4.3Å; H32-Y46 HydrophobicContact CB-CG 3.99Å; H32-Y46 AromaticContact CD2-CD1 3.47Å; H32-Y46 VanDerWaalsContact CD2-CD1 3.47Å; H32-Y46 WeakPolarHBondContact CD2-CD1 3.49Å; H32-Y46 AromaticContact CD2-CE1 3.23Å; H32-Y46 WeakPolarHBondContact CD2-CE1 3.36Å; H32-Y46 AromaticContact CD2-CZ 3.99Å; H32-Y46 AromaticContact CG-CD1 4Å; H32-Y46 WeakPolarHBondContact O-CB 3.43Å; H32-Y46 WeakPolarHBondContact O-CD2 3.37Å
33	L	37.1	Very low	39.9	Very low	52 Å²	52	92.7 Å²	92.7	27%	0.272	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	5.3	172.5	-73.8	165.8	0	0	0	113.4	I35 A47 W50	L33-I35 VanDerWaalsContact C-N 3.31Å; L33-I35 PolarHBondContact O-N 3.39Å; L33-A47 HydrophobicContact CD2-CB 4.36Å; L33-W50 HydrophobicContact CD1-CG 4.29Å; L33-W50 HydrophobicContact CD2-CB 4.32Å; L33-W50 HydrophobicContact CD2-CG 4.38Å
34	R	35.7	Very low	40.3	Very low	154 Å²	154	93.1 Å²	93.1	58%	0.581	46%	0.455	S	S	*	.			trans	-69	90	175.6	-160.6	169.4	-167.8	-171.5	3.2	109.1	E31 H32 S36 Y90	E31-R34 VanDerWaalsContact O-CB 3.22Å; E31-R34 WeakPolarHBondContact O-CB 2.8Å; E31-R34 PolarHBondContact O-N 3.13Å; H32-R34 PolarHBondContact O-N 3.12Å; R34-S36 PolarHBondContact O-N 2.99Å; R34-Y90 WeakPolarHBondContact CA-OH 3.23Å; R34-Y90 HydrophobicContact CG-CE1 4.05Å; R34-Y90 WeakPolarHBondContact CG-OH 3.23Å
35	I	36.7	Very low	41	Very low	85 Å²	85	90.6 Å²	90.6	44%	0.436	45%	0.448	S	S	.	.			trans	-67.9	81.8	162.4	-44.8	-168.3	0	0	0	106.4	L33 S37 A43	L33-I35 VanDerWaalsContact C-N 3.31Å; L33-I35 PolarHBondContact O-N 3.39Å; I35-S37 PolarHBondContact O-N 3.35Å; I35-A43 HydrophobicContact CB-CB 3.96Å; I35-A43 HydrophobicContact CG1-CB 3.92Å; I35-A43 HydrophobicContact CG2-CB 3.68Å
36	S	38.1	Very low	41.6	Very low	53 Å²	53	88.6 Å²	88.6	37%	0.371	42%	0.424	S	S	.	.			trans	-56.2	129.8	158.1	169.6	0	0	0	0	106.6	R34 D38 D39	R34-S36 PolarHBondContact O-N 2.99Å; S36-D38 PolarHBondContact O-N 3.44Å; S36-D38 PolarHBondContact OG-N 2.87Å; S36-D39 PolarHBondContact O-N 2.92Å
37	S	41.7	Very low	42.3	Very low	98 Å²	98	80.3 Å²	80.3	69%	0.685	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-23.4	173.5	45.3	0	0	0	0	112.9	I35	I35-S37 PolarHBondContact O-N 3.35Å
38	D	44.1	Very low	42.7	Very low	142 Å²	142	79 Å²	79	76%	0.759	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-19.6	-165.2	-52.2	-15.6	0	0	0	112.5	S36	S36-D38 PolarHBondContact O-N 3.44Å; S36-D38 PolarHBondContact OG-N 2.87Å
39	D	48.9	Very low	43	Very low	69 Å²	69	76.3 Å²	76.3	37%	0.369	37%	0.374	S	S	.	.			trans	-137.5	81.3	177.5	-168.6	-8.6	0	0	0	112.9	S36 N41 T42 A43	S36-D39 PolarHBondContact O-N 2.92Å; D39-N41 PolarHBondContact O-N 2.82Å; D39-N41 PolarHBondContact OD1-N 3.14Å; D39-N41 VanDerWaalsContact OD1-N 3.15Å; D39-T42 VanDerWaalsContact CG-CB 3.42Å; D39-T42 PolarHBondContact O-N 3.48Å; D39-T42 PolarHBondContact OD1-N 2.82Å; D39-T42 PolarHBondContact OD1-OG1 3.43Å; D39-T42 WeakPolarHBondContact OD2-CB 3.29Å; D39-T42 PolarHBondContact OD2-OG1 2.76Å; D39-A43 WeakPolarHBondContact O-CB 3.35Å; D39-A43 PolarHBondContact O-N 2.92Å; D39-A43 VanDerWaalsContact O-N 3.15Å
40	R	43.7	Very low	43.4	Very low	193 Å²	193	75.8 Å²	75.8	73%	0.728	37%	0.371	S	S	*	.	H	α-helix	trans	-58	-34.1	175.5	-72.8	-178	177.3	177.5	-0.7	113.3	I44	R40-I44 WeakPolarHBondContact O-CD1 3.08Å; R40-I44 VanDerWaalsContact O-CG1 3.29Å; R40-I44 WeakPolarHBondContact O-CG1 3.33Å; R40-I44 PolarHBondContact O-N 2.99Å
41	N	46.6	Very low	44	Very low	110 Å²	110	73 Å²	73	59%	0.588	36%	0.357	S	S	*	.	H	α-helix	trans	-71	-44.3	-175.5	-75.5	-23	0	0	0	110.9	D39 I44 K45	D39-N41 PolarHBondContact O-N 2.82Å; D39-N41 PolarHBondContact OD1-N 3.14Å; D39-N41 VanDerWaalsContact OD1-N 3.15Å; N41-I44 PolarHBondContact O-N 3.21Å; N41-K45 WeakPolarHBondContact O-CG 3.42Å; N41-K45 PolarHBondContact O-N 3.47Å
42	T	48.4	Very low	44.4	Very low	47 Å²	47	69 Å²	69	29%	0.288	34%	0.337	S	S	.	.	H	α-helix	trans	-65.7	-40.4	176.3	-67.3	0	0	0	0	111.5	D39 I44 K45 Y46	D39-T42 VanDerWaalsContact CG-CB 3.42Å; D39-T42 PolarHBondContact O-N 3.48Å; D39-T42 PolarHBondContact OD1-N 2.82Å; D39-T42 PolarHBondContact OD1-OG1 3.43Å; D39-T42 WeakPolarHBondContact OD2-CB 3.29Å; D39-T42 PolarHBondContact OD2-OG1 2.76Å; T42-I44 PolarHBondContact O-N 2.89Å; T42-K45 WeakPolarHBondContact O-CB 3.21Å; T42-K45 PolarHBondContact O-N 2.95Å; T42-Y46 HydrophobicContact CG2-CD2 3.67Å; T42-Y46 HydrophobicContact CG2-CE2 3.21Å; T42-Y46 WeakPolarHBondContact O-CD2 3.23Å; T42-Y46 PolarHBondContact O-N 2.99Å
43	A	46.4	Very low	44.5	Very low	5 Å²	5	69 Å²	69	4%	0.041	34%	0.34	C	S	.	.	H	α-helix	trans	-60.1	-45.7	175.6	0	0	0	0	0	113.3	I35 D39 Y46 A47	I35-A43 HydrophobicContact CB-CB 3.96Å; I35-A43 HydrophobicContact CG1-CB 3.92Å; I35-A43 HydrophobicContact CG2-CB 3.68Å; D39-A43 WeakPolarHBondContact O-CB 3.35Å; D39-A43 PolarHBondContact O-N 2.92Å; D39-A43 VanDerWaalsContact O-N 3.15Å; A43-Y46 PolarHBondContact O-N 3.42Å; A43-A47 WeakPolarHBondContact O-CB 3.25Å; A43-A47 PolarHBondContact O-N 3Å
44	I	45.6	Very low	44.7	Very low	79 Å²	79	67.5 Å²	67.5	41%	0.405	33%	0.333	S	S	.	.	H	α-helix	trans	-62.7	-44.6	175.3	-70.9	163.5	0	0	0	110.5	R40 N41 T42 Y46 A47 I48	R40-I44 WeakPolarHBondContact O-CD1 3.08Å; R40-I44 VanDerWaalsContact O-CG1 3.29Å; R40-I44 WeakPolarHBondContact O-CG1 3.33Å; R40-I44 PolarHBondContact O-N 2.99Å; N41-I44 PolarHBondContact O-N 3.21Å; T42-I44 PolarHBondContact O-N 2.89Å; I44-Y46 VanDerWaalsContact C-N 3.31Å; I44-Y46 PolarHBondContact O-N 3.36Å; I44-A47 PolarHBondContact O-N 3.24Å; I44-I48 HydrophobicContact CG2-CD1 3.55Å; I44-I48 HydrophobicContact CG2-CG1 4.28Å; I44-I48 WeakPolarHBondContact O-CB 3.47Å; I44-I48 WeakPolarHBondContact O-CG1 3.29Å; I44-I48 PolarHBondContact O-N 3.48Å
45	K	48.9	Very low	44.9	Very low	101 Å²	101	62.7 Å²	62.7	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-55.9	-45.5	176.6	-78.4	174.6	176.4	-176.8	0	111.9	N41 T42 N49 Y63	N41-K45 WeakPolarHBondContact O-CG 3.42Å; N41-K45 PolarHBondContact O-N 3.47Å; T42-K45 WeakPolarHBondContact O-CB 3.21Å; T42-K45 PolarHBondContact O-N 2.95Å; K45-N49 VanDerWaalsContact O-CB 3.29Å; K45-N49 WeakPolarHBondContact O-CB 3.26Å; K45-N49 PolarHBondContact O-N 2.8Å; K45-Y63 WeakPolarHBondContact CG-OH 3.35Å
46	Y	50	Low	45	Very low	71 Å²	71	61.6 Å²	61.6	28%	0.278	33%	0.326	S	S	.	.	H	α-helix	trans	-70.6	-38.7	178.6	-71.8	-52.7	0	0	0	113.4	I22 H32 T42 A43 I44 I48 N49 W50	I22-Y46 HydrophobicContact CD1-CD1 4.23Å; I22-Y46 HydrophobicContact CD1-CE1 3.61Å; H32-Y46 HydrophobicContact CB-CD1 3.82Å; H32-Y46 HydrophobicContact CB-CE1 4.3Å; H32-Y46 HydrophobicContact CB-CG 3.99Å; H32-Y46 AromaticContact CD2-CD1 3.47Å; H32-Y46 VanDerWaalsContact CD2-CD1 3.47Å; H32-Y46 WeakPolarHBondContact CD2-CD1 3.49Å; H32-Y46 AromaticContact CD2-CE1 3.23Å; H32-Y46 WeakPolarHBondContact CD2-CE1 3.36Å; H32-Y46 AromaticContact CD2-CZ 3.99Å; H32-Y46 AromaticContact CG-CD1 4Å; H32-Y46 WeakPolarHBondContact O-CB 3.43Å; H32-Y46 WeakPolarHBondContact O-CD2 3.37Å; T42-Y46 HydrophobicContact CG2-CD2 3.67Å; T42-Y46 HydrophobicContact CG2-CE2 3.21Å; T42-Y46 WeakPolarHBondContact O-CD2 3.23Å; T42-Y46 PolarHBondContact O-N 2.99Å; A43-Y46 PolarHBondContact O-N 3.42Å; I44-Y46 VanDerWaalsContact C-N 3.31Å; I44-Y46 PolarHBondContact O-N 3.36Å; Y46-I48 VanDerWaalsContact C-N 3.3Å; Y46-I48 PolarHBondContact O-N 2.83Å; Y46-N49 CarbonylContact O-C 3.59Å; Y46-N49 PolarHBondContact O-N 3.14Å; Y46-W50 WeakPolarHBondContact O-CB 3.46Å; Y46-W50 PolarHBondContact O-N 3.37Å
47	A	48.5	Very low	45.1	Very low	14 Å²	14	59.9 Å²	59.9	12%	0.116	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-40.4	176.2	0	0	0	0	0	110.9	L33 A43 I44 W50 V51 A70	L33-A47 HydrophobicContact CD2-CB 4.36Å; A43-A47 WeakPolarHBondContact O-CB 3.25Å; A43-A47 PolarHBondContact O-N 3Å; I44-A47 PolarHBondContact O-N 3.24Å; A47-W50 WeakPolarHBondContact O-CB 3.45Å; A47-W50 PolarHBondContact O-N 3.35Å; A47-V51 VanDerWaalsContact O-CG2 3.26Å; A47-V51 WeakPolarHBondContact O-CG2 3.19Å; A47-V51 PolarHBondContact O-N 3.36Å; A47-A70 HydrophobicContact CB-CB 3.45Å; A47-A70 VanDerWaalsContact CB-CB 3.45Å
48	I	46.3	Very low	45.1	Very low	3 Å²	3	56.8 Å²	56.8	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-45.7	171.9	-69.4	170.6	0	0	0	111.1	I44 Y46 W50 V51 Y52 Y63 A66	I44-I48 HydrophobicContact CG2-CD1 3.55Å; I44-I48 HydrophobicContact CG2-CG1 4.28Å; I44-I48 WeakPolarHBondContact O-CB 3.47Å; I44-I48 WeakPolarHBondContact O-CG1 3.29Å; I44-I48 PolarHBondContact O-N 3.48Å; Y46-I48 VanDerWaalsContact C-N 3.3Å; Y46-I48 PolarHBondContact O-N 2.83Å; I48-W50 VanDerWaalsContact C-N 3.31Å; I48-W50 PolarHBondContact O-N 3.26Å; I48-V51 WeakPolarHBondContact O-CB 3.27Å; I48-V51 PolarHBondContact O-N 3.03Å; I48-V51 VanDerWaalsContact O-N 3.13Å; I48-Y52 HydrophobicContact CG2-CD2 3.65Å; I48-Y52 HydrophobicContact CG2-CE2 3.51Å; I48-Y52 VanDerWaalsContact O-CD2 3.27Å; I48-Y52 WeakPolarHBondContact O-CD2 3.36Å; I48-Y52 PolarHBondContact O-N 2.97Å; I48-Y63 HydrophobicContact CB-CE2 4.06Å; I48-Y63 HydrophobicContact CD1-CD1 3.84Å; I48-Y63 HydrophobicContact CD1-CD2 4.48Å; I48-Y63 HydrophobicContact CD1-CE1 3.25Å; I48-Y63 HydrophobicContact CD1-CE2 3.97Å; I48-Y63 HydrophobicContact CD1-CG 4.41Å; I48-Y63 HydrophobicContact CG2-CD2 3.48Å; I48-Y63 VanDerWaalsContact CG2-CD2 3.48Å; I48-Y63 HydrophobicContact CG2-CE2 3.29Å; I48-Y63 HydrophobicContact CG2-CG 4.16Å; I48-A66 HydrophobicContact CG2-CB 3.8Å
49	N	46.9	Very low	44.7	Very low	8 Å²	8	57.5 Å²	57.5	4%	0.043	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-35.9	178.6	-162.5	1.9	0	0	0	112.4	L21 I22 K45 Y46 S53	L21-N49 HydrophobicContact CD2-CB 4.48Å; L21-N49 WeakPolarHBondContact CD2-OD1 3.45Å; I22-N49 WeakPolarHBondContact CB-ND2 3.44Å; I22-N49 PolarHBondContact N-ND2 3.03Å; K45-N49 VanDerWaalsContact O-CB 3.29Å; K45-N49 WeakPolarHBondContact O-CB 3.26Å; K45-N49 PolarHBondContact O-N 2.8Å; Y46-N49 CarbonylContact O-C 3.59Å; Y46-N49 PolarHBondContact O-N 3.14Å; N49-S53 WeakPolarHBondContact O-CB 3.37Å; N49-S53 PolarHBondContact O-N 3.06Å; N49-S53 PolarHBondContact O-OG 3.36Å
50	W	47.1	Very low	44.3	Very low	94 Å²	94	58 Å²	58	36%	0.356	31%	0.314	S	S	.	.	H	α-helix	trans	-63.6	-45.5	170.6	-179.9	88.3	0	0	0	111.3	L33 Y46 A47 I48 Y52 S53 S54	L33-W50 HydrophobicContact CD1-CG 4.29Å; L33-W50 HydrophobicContact CD2-CB 4.32Å; L33-W50 HydrophobicContact CD2-CG 4.38Å; Y46-W50 WeakPolarHBondContact O-CB 3.46Å; Y46-W50 PolarHBondContact O-N 3.37Å; A47-W50 WeakPolarHBondContact O-CB 3.45Å; A47-W50 PolarHBondContact O-N 3.35Å; I48-W50 VanDerWaalsContact C-N 3.31Å; I48-W50 PolarHBondContact O-N 3.26Å; W50-Y52 PolarHBondContact O-N 2.93Å; W50-S53 CarbonylContact O-C 3.6Å; W50-S53 PolarHBondContact O-N 3.29Å; W50-S54 WeakPolarHBondContact O-CB 3.36Å; W50-S54 PolarHBondContact O-N 3.48Å
51	V	46.8	Very low	44.1	Very low	3 Å²	3	49.8 Å²	49.8	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-59	-46.8	177.4	172	0	0	0	0	110.9	A47 I48 S54 F57 A66 W69 A70	A47-V51 VanDerWaalsContact O-CG2 3.26Å; A47-V51 WeakPolarHBondContact O-CG2 3.19Å; A47-V51 PolarHBondContact O-N 3.36Å; I48-V51 WeakPolarHBondContact O-CB 3.27Å; I48-V51 PolarHBondContact O-N 3.03Å; I48-V51 VanDerWaalsContact O-N 3.13Å; V51-S54 PolarHBondContact O-N 3.32Å; V51-S54 PolarHBondContact O-OG 3.06Å; V51-F57 HydrophobicContact CB-CD2 4.45Å; V51-F57 HydrophobicContact CG1-CD2 3.1Å; V51-F57 HydrophobicContact CG1-CE2 3.23Å; V51-F57 HydrophobicContact CG1-CG 3.99Å; V51-F57 HydrophobicContact CG1-CZ 4.18Å; V51-A66 HydrophobicContact CB-CB 4.08Å; V51-A66 HydrophobicContact CG1-CB 3.66Å; V51-W69 HydrophobicContact CG1-CB 4.22Å; V51-W69 HydrophobicContact CG2-CB 4.36Å; V51-A70 HydrophobicContact CG2-CB 4.25Å
52	Y	45	Very low	43.8	Very low	46 Å²	46	47.6 Å²	47.6	18%	0.18	27%	0.273	C	S	.	.	H	α-helix	trans	-64.3	-43.6	173.5	-79.4	-69.2	0	0	0	113.1	L21 I48 W50 S54 G55 T61 D62 Y63 A66	L21-Y52 HydrophobicContact CD2-CD2 4.44Å; I48-Y52 HydrophobicContact CG2-CD2 3.65Å; I48-Y52 HydrophobicContact CG2-CE2 3.51Å; I48-Y52 VanDerWaalsContact O-CD2 3.27Å; I48-Y52 WeakPolarHBondContact O-CD2 3.36Å; I48-Y52 PolarHBondContact O-N 2.97Å; W50-Y52 PolarHBondContact O-N 2.93Å; Y52-S54 VanDerWaalsContact C-N 3.27Å; Y52-S54 PolarHBondContact O-N 3.41Å; Y52-G55 PolarHBondContact O-N 3.37Å; Y52-T61 PolarHBondContact OH-O 2.79Å; Y52-D62 VanDerWaalsContact OH-C 3.26Å; Y52-D62 PolarHBondContact OH-O 3.23Å; Y52-Y63 HydrophobicContact CE2-CD2 4.16Å; Y52-Y63 WeakPolarHBondContact OH-CA 3.22Å; Y52-Y63 PolarHBondContact OH-N 2.79Å; Y52-A66 HydrophobicContact CD2-CB 4.04Å; Y52-A66 HydrophobicContact CE2-CB 3.68Å
53	S	42	Very low	43.3	Very low	23 Å²	23	47.2 Å²	47.2	16%	0.161	27%	0.267	C	S	.	.	H	α-helix	trans	-72.3	-19.9	-177.8	-68.9	0	0	0	0	113.9	R24 L27 N49 W50 G55	R24-S53 VanDerWaalsContact CD-O 3.29Å; R24-S53 WeakPolarHBondContact CD-O 3.49Å; R24-S53 PolarHBondContact NH1-O 3.23Å; L27-S53 WeakPolarHBondContact CD1-OG 3.49Å; N49-S53 WeakPolarHBondContact O-CB 3.37Å; N49-S53 PolarHBondContact O-N 3.06Å; N49-S53 PolarHBondContact O-OG 3.36Å; W50-S53 CarbonylContact O-C 3.6Å; W50-S53 PolarHBondContact O-N 3.29Å; S53-G55 PolarHBondContact O-N 2.9Å
54	S	42.6	Very low	42.8	Very low	20 Å²	20	51.6 Å²	51.6	14%	0.14	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.8	176.8	73	0	0	0	0	112.4	W50 V51 Y52 L56	W50-S54 WeakPolarHBondContact O-CB 3.36Å; W50-S54 PolarHBondContact O-N 3.48Å; V51-S54 PolarHBondContact O-N 3.32Å; V51-S54 PolarHBondContact O-OG 3.06Å; Y52-S54 VanDerWaalsContact C-N 3.27Å; Y52-S54 PolarHBondContact O-N 3.41Å; S54-L56 VanDerWaalsContact OG-CB 3.28Å; S54-L56 WeakPolarHBondContact OG-CB 3.34Å; S54-L56 WeakPolarHBondContact OG-CD1 3.41Å; S54-L56 VanDerWaalsContact OG-CG 3.29Å; S54-L56 WeakPolarHBondContact OG-CG 3.48Å; S54-L56 PolarHBondContact OG-N 3.01Å; S54-L56 VanDerWaalsContact OG-N 3.1Å
55	G	39.2	Very low	42.6	Very low	52 Å²	52	47.9 Å²	47.9	54%	0.536	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	6.2	-171	0	0	0	0	0	113.6	Y52 S53 F57	Y52-G55 PolarHBondContact O-N 3.37Å; S53-G55 PolarHBondContact O-N 2.9Å; G55-F57 PolarHBondContact O-N 3.49Å
56	L	38.9	Very low	42.3	Very low	63 Å²	63	43.1 Å²	43.1	33%	0.33	24%	0.243	S	C	.	.	S	Bend	trans	-70.6	-15.4	173.7	-67.8	170.9	0	0	0	112.8	S54	S54-L56 VanDerWaalsContact OG-CB 3.28Å; S54-L56 WeakPolarHBondContact OG-CB 3.34Å; S54-L56 WeakPolarHBondContact OG-CD1 3.41Å; S54-L56 VanDerWaalsContact OG-CG 3.29Å; S54-L56 WeakPolarHBondContact OG-CG 3.48Å; S54-L56 PolarHBondContact OG-N 3.01Å; S54-L56 VanDerWaalsContact OG-N 3.1Å
57	F	40.3	Very low	41.8	Very low	17 Å²	17	40.2 Å²	40.2	8%	0.075	24%	0.235	C	C	.	.	S	Bend	trans	-127.4	131.2	-176.1	-67	-81.6	0	0	0	110.4	V51 G55 T61 W69	V51-F57 HydrophobicContact CB-CD2 4.45Å; V51-F57 HydrophobicContact CG1-CD2 3.1Å; V51-F57 HydrophobicContact CG1-CE2 3.23Å; V51-F57 HydrophobicContact CG1-CG 3.99Å; V51-F57 HydrophobicContact CG1-CZ 4.18Å; G55-F57 PolarHBondContact O-N 3.49Å; F57-T61 HydrophobicContact CB-CG2 4.45Å; F57-T61 HydrophobicContact CD1-CG2 3.83Å; F57-T61 HydrophobicContact CG-CG2 4.5Å; F57-W69 AromaticContact CE1-CD1 3.29Å; F57-W69 HydrophobicContact CE1-CD2 4.17Å; F57-W69 AromaticContact CE1-CE2 3.67Å; F57-W69 AromaticContact CE1-CG 3.92Å; F57-W69 HydrophobicContact CE1-CG 3.92Å; F57-W69 HydrophobicContact CE1-CZ2 4.27Å; F57-W69 AromaticContact CE1-NE1 3.17Å; F57-W69 HydrophobicContact CE2-CB 4.39Å; F57-W69 HydrophobicContact CE2-CD2 4.28Å; F57-W69 HydrophobicContact CE2-CG 4.06Å; F57-W69 HydrophobicContact CZ-CB 4.09Å; F57-W69 AromaticContact CZ-CD1 3.21Å; F57-W69 AromaticContact CZ-CD2 3.41Å; F57-W69 HydrophobicContact CZ-CD2 3.41Å; F57-W69 VanDerWaalsContact CZ-CD2 3.41Å; F57-W69 AromaticContact CZ-CE2 3.29Å; F57-W69 HydrophobicContact CZ-CE3 4.2Å; F57-W69 AromaticContact CZ-CG 3.32Å; F57-W69 HydrophobicContact CZ-CG 3.32Å; F57-W69 AromaticContact CZ-CZ2 3.89Å; F57-W69 HydrophobicContact CZ-CZ2 3.89Å; F57-W69 AromaticContact CZ-NE1 3.24Å
58	P	40.4	Very low	41.5	Very low	32 Å²	32	39.6 Å²	39.6	21%	0.208	23%	0.23	C	C	.	.			trans	-54.4	147.8	170.2	-24.2	32.5	0	0	0	111.9	G60 T61	P58-G60 PolarHBondContact O-N 3.09Å; P58-T61 WeakPolarHBondContact CD-OG1 2.88Å; P58-T61 PolarHBondContact O-N 3.41Å; P58-T61 VanDerWaalsContact O-N 3.11Å; P58-T61 PolarHBondContact O-OG1 3.07Å
59	L	37	Very low	41.5	Very low	158 Å²	158	40.5 Å²	40.5	83%	0.827	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	125.2	162.8	-84.1	156.8	0	0	0	108.4
60	G	39.5	Very low	41.4	Very low	79 Å²	79	40.8 Å²	40.8	81%	0.814	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	98	-0.1	-176.3	0	0	0	0	0	115.4	P58 D62	P58-G60 PolarHBondContact O-N 3.09Å; G60-D62 PolarHBondContact O-N 2.93Å
61	T	40.6	Very low	41.1	Very low	20 Å²	20	39 Å²	39	12%	0.123	24%	0.236	C	C	.	.			trans	-58.9	138.7	163.2	-47.7	0	0	0	0	108.5	Y52 F57 P58 Y63 A65	Y52-T61 PolarHBondContact OH-O 2.79Å; F57-T61 HydrophobicContact CB-CG2 4.45Å; F57-T61 HydrophobicContact CD1-CG2 3.83Å; F57-T61 HydrophobicContact CG-CG2 4.5Å; P58-T61 WeakPolarHBondContact CD-OG1 2.88Å; P58-T61 PolarHBondContact O-N 3.41Å; P58-T61 VanDerWaalsContact O-N 3.11Å; P58-T61 PolarHBondContact O-OG1 3.07Å; T61-Y63 PolarHBondContact O-N 2.75Å; T61-A65 HydrophobicContact CG2-CB 3.68Å
62	D	40	Very low	40.9	Very low	65 Å²	65	39.2 Å²	39.2	35%	0.348	24%	0.237	S	C	.	.			trans	-53.9	134.5	176.6	-177.6	-3.1	0	0	0	110.9	Y52 G60 Y64 A65 A66	Y52-D62 VanDerWaalsContact OH-C 3.26Å; Y52-D62 PolarHBondContact OH-O 3.23Å; G60-D62 PolarHBondContact O-N 2.93Å; D62-Y64 PolarHBondContact O-N 3.2Å; D62-Y64 VanDerWaalsContact OD1-CD2 3.25Å; D62-Y64 WeakPolarHBondContact OD1-CD2 2.98Å; D62-Y64 PolarHBondContact OD1-N 3.22Å; D62-A65 HydrophobicContact CB-CB 4.24Å; D62-A65 WeakPolarHBondContact O-CA 3.19Å; D62-A65 WeakPolarHBondContact O-CB 3.48Å; D62-A65 PolarHBondContact O-N 3.32Å; D62-A66 PolarHBondContact O-N 2.93Å
63	Y	37.1	Very low	40.9	Very low	39 Å²	39	38.3 Å²	38.3	15%	0.153	24%	0.239	C	C	.	.	H	α-helix	trans	-53	-37.6	175.8	-178.8	-94.7	0	0	0	111.5	Y13 K45 I48 Y52 T61 A65 A66 G67	Y13-Y63 HydrophobicContact CD1-CE1 4.38Å; K45-Y63 WeakPolarHBondContact CG-OH 3.35Å; I48-Y63 HydrophobicContact CB-CE2 4.06Å; I48-Y63 HydrophobicContact CD1-CD1 3.84Å; I48-Y63 HydrophobicContact CD1-CD2 4.48Å; I48-Y63 HydrophobicContact CD1-CE1 3.25Å; I48-Y63 HydrophobicContact CD1-CE2 3.97Å; I48-Y63 HydrophobicContact CD1-CG 4.41Å; I48-Y63 HydrophobicContact CG2-CD2 3.48Å; I48-Y63 VanDerWaalsContact CG2-CD2 3.48Å; I48-Y63 HydrophobicContact CG2-CE2 3.29Å; I48-Y63 HydrophobicContact CG2-CG 4.16Å; Y52-Y63 HydrophobicContact CE2-CD2 4.16Å; Y52-Y63 WeakPolarHBondContact OH-CA 3.22Å; Y52-Y63 PolarHBondContact OH-N 2.79Å; T61-Y63 PolarHBondContact O-N 2.75Å; Y63-A65 VanDerWaalsContact C-N 3.31Å; Y63-A65 PolarHBondContact O-N 2.75Å; Y63-A66 PolarHBondContact O-N 3.27Å; Y63-G67 PolarHBondContact O-N 3.47Å
64	Y	36.6	Very low	40.7	Very low	97 Å²	97	42 Å²	42	38%	0.38	25%	0.254	S	S	.	.	H	α-helix	trans	-65.5	-36.6	175.2	-68.8	-74	0	0	0	111.2	T10 D62 A66 G67 A68 T167	T10-Y64 WeakPolarHBondContact CB-OH 3.11Å; T10-Y64 WeakPolarHBondContact CG2-OH 3.05Å; T10-Y64 PolarHBondContact OG1-OH 3.31Å; D62-Y64 PolarHBondContact O-N 3.2Å; D62-Y64 VanDerWaalsContact OD1-CD2 3.25Å; D62-Y64 WeakPolarHBondContact OD1-CD2 2.98Å; D62-Y64 PolarHBondContact OD1-N 3.22Å; Y64-A66 VanDerWaalsContact C-N 3.31Å; Y64-A66 PolarHBondContact O-N 3.45Å; Y64-G67 CarbonylContact O-C 3.48Å; Y64-G67 WeakPolarHBondContact O-CA 3.47Å; Y64-G67 PolarHBondContact O-N 2.78Å; Y64-A68 PolarHBondContact O-N 3.38Å; Y64-T167 VanDerWaalsContact CA-OG1 3.29Å; Y64-T167 WeakPolarHBondContact CA-OG1 3.19Å; Y64-T167 WeakPolarHBondContact CB-OG1 3.05Å; Y64-T167 VanDerWaalsContact O-CG2 3.23Å; Y64-T167 WeakPolarHBondContact O-CG2 3.42Å; Y64-T167 PolarHBondContact O-OG1 3.49Å
65	A	41.7	Very low	40.4	Very low	1 Å²	1	42.4 Å²	42.4	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-46.2	-178.6	0	0	0	0	0	109.2	T61 D62 Y63 G67 A68 W69 A165 T167	T61-A65 HydrophobicContact CG2-CB 3.68Å; D62-A65 HydrophobicContact CB-CB 4.24Å; D62-A65 WeakPolarHBondContact O-CA 3.19Å; D62-A65 WeakPolarHBondContact O-CB 3.48Å; D62-A65 PolarHBondContact O-N 3.32Å; Y63-A65 VanDerWaalsContact C-N 3.31Å; Y63-A65 PolarHBondContact O-N 2.75Å; A65-G67 PolarHBondContact O-N 3.33Å; A65-A68 PolarHBondContact O-N 3.08Å; A65-W69 WeakPolarHBondContact O-CB 3.43Å; A65-W69 PolarHBondContact O-N 3.19Å; A65-A165 WeakPolarHBondContact CB-O 3.39Å; A65-T167 WeakPolarHBondContact CA-OG1 3.34Å; A65-T167 PolarHBondContact N-OG1 2.83Å
66	A	42.3	Very low	40.3	Very low	0 Å²	0	41 Å²	41	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-36.6	173.5	0	0	0	0	0	111.7	I48 V51 Y52 D62 Y63 Y64 W69 A70	I48-A66 HydrophobicContact CG2-CB 3.8Å; V51-A66 HydrophobicContact CB-CB 4.08Å; V51-A66 HydrophobicContact CG1-CB 3.66Å; Y52-A66 HydrophobicContact CD2-CB 4.04Å; Y52-A66 HydrophobicContact CE2-CB 3.68Å; D62-A66 PolarHBondContact O-N 2.93Å; Y63-A66 PolarHBondContact O-N 3.27Å; Y64-A66 VanDerWaalsContact C-N 3.31Å; Y64-A66 PolarHBondContact O-N 3.45Å; A66-W69 WeakPolarHBondContact O-CB 3.46Å; A66-W69 PolarHBondContact O-N 3.47Å; A66-A70 PolarHBondContact O-N 2.89Å
67	G	39.3	Very low	40	Very low	10 Å²	10	38.9 Å²	38.9	10%	0.103	23%	0.233	C	C	.	.	H	α-helix	trans	-68.1	-43	174.9	0	0	0	0	0	113.5	Y63 Y64 A65 W69 A70 V71	Y63-G67 PolarHBondContact O-N 3.47Å; Y64-G67 CarbonylContact O-C 3.48Å; Y64-G67 WeakPolarHBondContact O-CA 3.47Å; Y64-G67 PolarHBondContact O-N 2.78Å; A65-G67 PolarHBondContact O-N 3.33Å; G67-W69 VanDerWaalsContact C-N 3.28Å; G67-W69 PolarHBondContact O-N 3.24Å; G67-A70 WeakPolarHBondContact O-CB 3.48Å; G67-A70 PolarHBondContact O-N 3.22Å; G67-V71 WeakPolarHBondContact O-CB 3.16Å; G67-V71 VanDerWaalsContact O-CG2 3.25Å; G67-V71 WeakPolarHBondContact O-CG2 3.27Å; G67-V71 PolarHBondContact O-N 3.48Å
68	A	41.2	Very low	39.5	Very low	2 Å²	2	40.8 Å²	40.8	2%	0.017	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-39.2	172.7	0	0	0	0	0	111.3	Y64 A65 V71 I72 T167 V170 L171	Y64-A68 PolarHBondContact O-N 3.38Å; A65-A68 PolarHBondContact O-N 3.08Å; A68-V71 PolarHBondContact O-N 3.02Å; A68-I72 WeakPolarHBondContact O-CB 3.45Å; A68-I72 VanDerWaalsContact O-CG1 3.22Å; A68-I72 WeakPolarHBondContact O-CG1 3.26Å; A68-I72 PolarHBondContact O-N 3.27Å; A68-T167 HydrophobicContact CB-CG2 3.73Å; A68-T167 WeakPolarHBondContact CB-O 3.35Å; A68-V170 HydrophobicContact CB-CB 4.26Å; A68-V170 HydrophobicContact CB-CG1 3.9Å; A68-L171 HydrophobicContact CB-CD1 4.29Å; A68-L171 HydrophobicContact CB-CD2 3.94Å; A68-L171 HydrophobicContact CB-CG 3.73Å
69	W	46.6	Very low	39	Very low	22 Å²	22	47.5 Å²	47.5	8%	0.083	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-42.6	173.4	-88.5	103.5	0	0	0	113.2	V51 F57 A65 A66 G67 V71 I72 A73 F111 M120 I121	V51-W69 HydrophobicContact CG1-CB 4.22Å; V51-W69 HydrophobicContact CG2-CB 4.36Å; F57-W69 AromaticContact CE1-CD1 3.29Å; F57-W69 HydrophobicContact CE1-CD2 4.17Å; F57-W69 AromaticContact CE1-CE2 3.67Å; F57-W69 AromaticContact CE1-CG 3.92Å; F57-W69 HydrophobicContact CE1-CG 3.92Å; F57-W69 HydrophobicContact CE1-CZ2 4.27Å; F57-W69 AromaticContact CE1-NE1 3.17Å; F57-W69 HydrophobicContact CE2-CB 4.39Å; F57-W69 HydrophobicContact CE2-CD2 4.28Å; F57-W69 HydrophobicContact CE2-CG 4.06Å; F57-W69 HydrophobicContact CZ-CB 4.09Å; F57-W69 AromaticContact CZ-CD1 3.21Å; F57-W69 AromaticContact CZ-CD2 3.41Å; F57-W69 HydrophobicContact CZ-CD2 3.41Å; F57-W69 VanDerWaalsContact CZ-CD2 3.41Å; F57-W69 AromaticContact CZ-CE2 3.29Å; F57-W69 HydrophobicContact CZ-CE3 4.2Å; F57-W69 AromaticContact CZ-CG 3.32Å; F57-W69 HydrophobicContact CZ-CG 3.32Å; F57-W69 AromaticContact CZ-CZ2 3.89Å; F57-W69 HydrophobicContact CZ-CZ2 3.89Å; F57-W69 AromaticContact CZ-NE1 3.24Å; A65-W69 WeakPolarHBondContact O-CB 3.43Å; A65-W69 PolarHBondContact O-N 3.19Å; A66-W69 WeakPolarHBondContact O-CB 3.46Å; A66-W69 PolarHBondContact O-N 3.47Å; G67-W69 VanDerWaalsContact C-N 3.28Å; G67-W69 PolarHBondContact O-N 3.24Å; W69-V71 VanDerWaalsContact C-N 3.32Å; W69-V71 PolarHBondContact O-N 2.91Å; W69-I72 PolarHBondContact O-N 2.88Å; W69-A73 WeakPolarHBondContact O-CB 3.16Å; W69-A73 PolarHBondContact O-N 3.41Å; W69-F111 HydrophobicContact CZ3-CE1 4.32Å; W69-M120 HydrophobicContact CD2-CE 4.44Å; W69-M120 HydrophobicContact CH2-CB 3.89Å; W69-M120 HydrophobicContact CH2-CE 4.19Å; W69-M120 HydrophobicContact CZ2-CB 3.76Å; W69-M120 HydrophobicContact CZ2-CE 3.43Å; W69-M120 VanDerWaalsContact CZ2-CE 3.43Å; W69-M120 HydrophobicContact CZ2-CG 4.48Å; W69-M120 HydrophobicContact CZ2-SD 4.32Å; W69-I121 HydrophobicContact CH2-CG1 4.11Å
70	A	46.3	Very low	38.8	Very low	14 Å²	14	45 Å²	45	12%	0.116	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-45	172.2	0	0	0	0	0	111.4	A47 V51 A66 G67 H74	A47-A70 HydrophobicContact CB-CB 3.45Å; A47-A70 VanDerWaalsContact CB-CB 3.45Å; V51-A70 HydrophobicContact CG2-CB 4.25Å; A66-A70 PolarHBondContact O-N 2.89Å; G67-A70 WeakPolarHBondContact O-CB 3.48Å; G67-A70 PolarHBondContact O-N 3.22Å; A70-H74 WeakPolarHBondContact O-CB 3.47Å; A70-H74 PolarHBondContact O-N 3.49Å
71	V	39	Very low	38.4	Very low	55 Å²	55	49 Å²	49	33%	0.333	25%	0.252	S	S	.	.	H	α-helix	trans	-68.3	-36.4	179.2	172.2	0	0	0	0	112	G67 A68 W69 G75 L171 I176	G67-V71 WeakPolarHBondContact O-CB 3.16Å; G67-V71 VanDerWaalsContact O-CG2 3.25Å; G67-V71 WeakPolarHBondContact O-CG2 3.27Å; G67-V71 PolarHBondContact O-N 3.48Å; A68-V71 PolarHBondContact O-N 3.02Å; W69-V71 VanDerWaalsContact C-N 3.32Å; W69-V71 PolarHBondContact O-N 2.91Å; V71-G75 PolarHBondContact O-N 3.11Å; V71-L171 HydrophobicContact CB-CD2 4.11Å; V71-L171 HydrophobicContact CG1-CD2 3.82Å; V71-I176 HydrophobicContact CG1-CD1 3.76Å
72	I	43.4	Very low	37.6	Very low	8 Å²	8	50 Å²	50	4%	0.041	27%	0.266	C	S	.	.	H	α-helix	trans	-72.6	-48	175	-73.6	172.4	0	0	0	110.8	A68 W69 H74 G75 L76 V170 A174 I176	A68-I72 WeakPolarHBondContact O-CB 3.45Å; A68-I72 VanDerWaalsContact O-CG1 3.22Å; A68-I72 WeakPolarHBondContact O-CG1 3.26Å; A68-I72 PolarHBondContact O-N 3.27Å; W69-I72 PolarHBondContact O-N 2.88Å; I72-H74 PolarHBondContact O-N 3.45Å; I72-G75 PolarHBondContact O-N 3.13Å; I72-G75 VanDerWaalsContact O-N 3.08Å; I72-L76 HydrophobicContact CG2-CD1 3.43Å; I72-L76 VanDerWaalsContact CG2-CD1 3.43Å; I72-L76 HydrophobicContact CG2-CG 3.77Å; I72-L76 WeakPolarHBondContact O-CB 3.47Å; I72-L76 WeakPolarHBondContact O-CG 2.81Å; I72-L76 PolarHBondContact O-N 3.47Å; I72-V170 HydrophobicContact CD1-CB 4.37Å; I72-V170 HydrophobicContact CD1-CG1 3.1Å; I72-V170 WeakPolarHBondContact CD1-O 3.15Å; I72-V170 HydrophobicContact CG1-CG1 4.47Å; I72-A174 HydrophobicContact CD1-CB 3.53Å; I72-A174 HydrophobicContact CG1-CB 3.53Å; I72-A174 HydrophobicContact CG2-CB 4.47Å; I72-I176 HydrophobicContact CG1-CD1 4.12Å
73	A	44.6	Very low	36.9	Very low	28 Å²	28	51.1 Å²	51.1	23%	0.231	27%	0.271	C	S	.	.	H	α-helix	trans	-53.4	-43.1	174.5	0	0	0	0	0	110.4	W69 A77 F111	W69-A73 WeakPolarHBondContact O-CB 3.16Å; W69-A73 PolarHBondContact O-N 3.41Å; A73-A77 VanDerWaalsContact O-CB 3.25Å; A73-A77 WeakPolarHBondContact O-CB 3.49Å; A73-A77 PolarHBondContact O-N 2.92Å; A73-A77 VanDerWaalsContact O-N 3.17Å; A73-F111 HydrophobicContact CB-CE1 4.49Å; A73-F111 HydrophobicContact CB-CZ 3.82Å
74	H	38.9	Very low	36.5	Very low	101 Å²	101	51.9 Å²	51.9	47%	0.468	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-51.7	172.7	-175.1	-81.1	0	0	0	112.6	A70 I72 L76 A77 C78	A70-H74 WeakPolarHBondContact O-CB 3.47Å; A70-H74 PolarHBondContact O-N 3.49Å; I72-H74 PolarHBondContact O-N 3.45Å; H74-L76 PolarHBondContact O-N 3.27Å; H74-A77 WeakPolarHBondContact O-CB 3.29Å; H74-A77 PolarHBondContact O-N 3.43Å; H74-C78 VanDerWaalsContact CE1-SG 3.55Å; H74-C78 PolarHBondContact O-N 2.54Å; H74-C78 PolarHBondContact O-SG 3.2Å
75	G	35.9	Very low	35.9	Very low	28 Å²	28	49.2 Å²	49.2	29%	0.289	28%	0.275	S	S	.	.	H	α-helix	trans	-64.9	-37.4	-177.1	0	0	0	0	0	114.2	V71 I72 C78 R79	V71-G75 PolarHBondContact O-N 3.11Å; I72-G75 PolarHBondContact O-N 3.13Å; I72-G75 VanDerWaalsContact O-N 3.08Å; G75-C78 PolarHBondContact O-N 3.41Å; G75-R79 WeakPolarHBondContact O-CB 3.17Å; G75-R79 PolarHBondContact O-N 2.92Å
76	L	37.2	Very low	35.2	Very low	21 Å²	21	52 Å²	52	11%	0.11	30%	0.295	C	S	.	.	H	α-helix	trans	-70.7	-38.8	174.8	-60.1	176.5	0	0	0	110.9	I72 H74 C78 R79 Y80 F111 F114	I72-L76 HydrophobicContact CG2-CD1 3.43Å; I72-L76 VanDerWaalsContact CG2-CD1 3.43Å; I72-L76 HydrophobicContact CG2-CG 3.77Å; I72-L76 WeakPolarHBondContact O-CB 3.47Å; I72-L76 WeakPolarHBondContact O-CG 2.81Å; I72-L76 PolarHBondContact O-N 3.47Å; H74-L76 PolarHBondContact O-N 3.27Å; L76-C78 VanDerWaalsContact C-N 3.32Å; L76-C78 PolarHBondContact O-N 2.93Å; L76-R79 PolarHBondContact O-N 2.92Å; L76-Y80 WeakPolarHBondContact O-CD2 3.31Å; L76-Y80 PolarHBondContact O-N 2.79Å; L76-Y80 VanDerWaalsContact O-N 3.1Å; L76-F111 HydrophobicContact CD1-CD1 3.75Å; L76-F111 HydrophobicContact CD1-CE1 3.68Å; L76-F114 HydrophobicContact CB-CE2 4.13Å; L76-F114 HydrophobicContact CB-CZ 4.02Å; L76-F114 HydrophobicContact CD1-CD2 4.1Å; L76-F114 HydrophobicContact CD1-CE2 3.79Å; L76-F114 HydrophobicContact CD1-CZ 4.1Å; L76-F114 HydrophobicContact CD2-CD1 4.1Å; L76-F114 HydrophobicContact CD2-CD2 4.33Å; L76-F114 HydrophobicContact CD2-CE1 3.36Å; L76-F114 HydrophobicContact CD2-CE2 3.7Å; L76-F114 HydrophobicContact CD2-CG 4.48Å; L76-F114 HydrophobicContact CD2-CZ 3.09Å; L76-F114 HydrophobicContact CG-CE2 4.05Å; L76-F114 HydrophobicContact CG-CZ 3.87Å
77	A	31.7	Very low	34.4	Very low	20 Å²	20	56.9 Å²	56.9	17%	0.165	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-39.6	171.9	0	0	0	0	0	112.2	A73 H74 G82 L83	A73-A77 VanDerWaalsContact O-CB 3.25Å; A73-A77 WeakPolarHBondContact O-CB 3.49Å; A73-A77 PolarHBondContact O-N 2.92Å; A73-A77 VanDerWaalsContact O-N 3.17Å; H74-A77 WeakPolarHBondContact O-CB 3.29Å; H74-A77 PolarHBondContact O-N 3.43Å; A77-G82 CarbonylContact O-C 3.26Å; A77-G82 VanDerWaalsContact O-C 3.26Å; A77-G82 PolarHBondContact O-N 3.34Å; A77-L83 PolarHBondContact O-N 2.85Å
78	C	29.6	Very low	33.7	Very low	57 Å²	57	62.8 Å²	62.8	39%	0.385	34%	0.34	S	S	.	.	H	α-helix	trans	-66.6	-41.1	173.4	-65.1	0	0	0	0	113.1	H74 G75 L76	H74-C78 VanDerWaalsContact CE1-SG 3.55Å; H74-C78 PolarHBondContact O-N 2.54Å; H74-C78 PolarHBondContact O-SG 3.2Å; G75-C78 PolarHBondContact O-N 3.41Å; L76-C78 VanDerWaalsContact C-N 3.32Å; L76-C78 PolarHBondContact O-N 2.93Å
79	R	30.8	Very low	33.1	Very low	173 Å²	173	64.3 Å²	64.3	65%	0.653	35%	0.347	S	S	*	.	H	α-helix	trans	-78	-29.6	-172.7	-173.6	172.5	-177.4	171.5	1.7	114.1	G75 L76 N81	G75-R79 WeakPolarHBondContact O-CB 3.17Å; G75-R79 PolarHBondContact O-N 2.92Å; L76-R79 PolarHBondContact O-N 2.92Å; R79-N81 VanDerWaalsContact C-N 3.33Å
80	Y	33.7	Very low	32.4	Very low	106 Å²	106	66.3 Å²	66.3	42%	0.416	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	24.9	-176.8	-73.7	-103.9	0	0	0	112.9	L76 G82 F114	L76-Y80 WeakPolarHBondContact O-CD2 3.31Å; L76-Y80 PolarHBondContact O-N 2.79Å; L76-Y80 VanDerWaalsContact O-N 3.1Å; Y80-G82 PolarHBondContact O-N 3.36Å; Y80-G82 VanDerWaalsContact O-N 3.15Å; Y80-F114 HydrophobicContact CD2-CE1 4.15Å; Y80-F114 HydrophobicContact CD2-CE2 4.23Å; Y80-F114 AromaticContact CD2-CZ 3.39Å; Y80-F114 HydrophobicContact CD2-CZ 3.39Å; Y80-F114 HydrophobicContact CE1-CE1 4.38Å; Y80-F114 HydrophobicContact CE1-CZ 4.07Å; Y80-F114 HydrophobicContact CE2-CD1 4.48Å; Y80-F114 AromaticContact CE2-CE1 3.19Å; Y80-F114 HydrophobicContact CE2-CE1 3.19Å; Y80-F114 AromaticContact CE2-CE2 3.99Å; Y80-F114 HydrophobicContact CE2-CE2 3.99Å; Y80-F114 AromaticContact CE2-CZ 2.88Å; Y80-F114 HydrophobicContact CE2-CZ 2.88Å; Y80-F114 HydrophobicContact CG-CZ 4.23Å; Y80-F114 AromaticContact CZ-CE1 3.27Å; Y80-F114 AromaticContact CZ-CZ 3.21Å; Y80-F114 WeakPolarHBondContact OH-CE1 3.22Å; Y80-F114 WeakPolarHBondContact OH-CZ 3.36Å
81	N	29.6	Very low	31.4	Very low	162 Å²	162	68 Å²	68	87%	0.866	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	42.1	176.8	-81.1	-12.9	0	0	0	113.4	R79	R79-N81 VanDerWaalsContact C-N 3.33Å
82	G	25	Very low	31	Very low	40 Å²	40	69.9 Å²	69.9	41%	0.412	37%	0.366	S	S	.	.			trans	-140.2	55.4	177.4	0	0	0	0	0	109.8	A77 Y80 P84	A77-G82 CarbonylContact O-C 3.26Å; A77-G82 VanDerWaalsContact O-C 3.26Å; A77-G82 PolarHBondContact O-N 3.34Å; Y80-G82 PolarHBondContact O-N 3.36Å; Y80-G82 VanDerWaalsContact O-N 3.15Å; G82-P84 WeakPolarHBondContact O-CD 3.43Å
83	L	25.2	Very low	30.5	Very low	90 Å²	90	76.3 Å²	76.3	47%	0.471	40%	0.395	S	S	.	.			trans	-38.3	125.9	159.8	-90.7	159.4	0	0	0	110.3	A77 T85	A77-L83 PolarHBondContact O-N 2.85Å; L83-T85 HydrophobicContact CB-CG2 3.7Å; L83-T85 VanDerWaalsContact CB-N 3.32Å; L83-T85 HydrophobicContact CD1-CG2 3.33Å; L83-T85 HydrophobicContact CD2-CG2 3.54Å; L83-T85 HydrophobicContact CG-CG2 3.66Å; L83-T85 PolarHBondContact O-N 3.44Å
84	P	27.5	Very low	29.8	Very low	55 Å²	55	81.5 Å²	81.5	36%	0.357	41%	0.413	S	S	.	.				-76.2	78.4	127.8	30.9	-22.8	0	0	0	105.8	G82 I89	G82-P84 WeakPolarHBondContact O-CD 3.43Å; P84-I89 HydrophobicContact CB-CD1 3.49Å; P84-I89 VanDerWaalsContact CB-CD1 3.49Å; P84-I89 HydrophobicContact CB-CG1 3.63Å; P84-I89 HydrophobicContact CG-CD1 4.29Å
85	T	25.5	Very low	29.5	Very low	40 Å²	40	84 Å²	84	25%	0.245	42%	0.419	C	S	.	.			trans	-56.3	162.6	157.3	35.9	0	0	0	0	105.3	L83 D87 W88 I89	L83-T85 HydrophobicContact CB-CG2 3.7Å; L83-T85 VanDerWaalsContact CB-N 3.32Å; L83-T85 HydrophobicContact CD1-CG2 3.33Å; L83-T85 HydrophobicContact CD2-CG2 3.54Å; L83-T85 HydrophobicContact CG-CG2 3.66Å; L83-T85 PolarHBondContact O-N 3.44Å; T85-D87 PolarHBondContact O-N 2.93Å; T85-D87 PolarHBondContact OG1-N 2.88Å; T85-W88 PolarHBondContact O-N 3.11Å; T85-I89 PolarHBondContact O-N 3.02Å
86	S	25.8	Very low	29.3	Very low	61 Å²	61	93.2 Å²	93.2	43%	0.427	45%	0.445	S	S	.	.	H	α-helix	trans	-37.7	-38.2	157.3	47.3	0	0	0	0	112.2	W88 Y90	S86-W88 VanDerWaalsContact C-N 3.35Å; S86-W88 PolarHBondContact O-N 3.2Å; S86-Y90 VanDerWaalsContact O-CA 3.27Å; S86-Y90 WeakPolarHBondContact O-CA 3.37Å; S86-Y90 WeakPolarHBondContact O-CB 3.38Å; S86-Y90 WeakPolarHBondContact O-CD2 3.48Å; S86-Y90 PolarHBondContact O-N 3.31Å
87	D	26.5	Very low	29.1	Very low	102 Å²	102	101.8 Å²	101.8	55%	0.545	48%	0.481	S	S	.	.	H	α-helix	trans	-74.1	-20.8	-175.2	-45.8	-36.3	0	0	0	114.7	T85 E91	T85-D87 PolarHBondContact O-N 2.93Å; T85-D87 PolarHBondContact OG1-N 2.88Å; D87-E91 WeakPolarHBondContact O-CB 2.97Å; D87-E91 WeakPolarHBondContact O-CG 2.95Å; D87-E91 PolarHBondContact O-N 2.98Å
88	W	24.4	Very low	29	Very low	133 Å²	133	104.5 Å²	104.5	50%	0.504	49%	0.492	S	S	.	.	H	α-helix	trans	-90	-40.1	-178	-128.6	65	0	0	0	114.2	T85 S86 L103	T85-W88 PolarHBondContact O-N 3.11Å; S86-W88 VanDerWaalsContact C-N 3.35Å; S86-W88 PolarHBondContact O-N 3.2Å; W88-L103 HydrophobicContact CE3-CD1 4.1Å; W88-L103 HydrophobicContact CZ3-CD1 3.73Å
89	I	28.2	Very low	29.1	Very low	34 Å²	34	106 Å²	106	17%	0.174	50%	0.497	C	S	.	.	H	α-helix	trans	-78.9	-27.7	170.7	-70.6	174.8	0	0	0	110.2	Y29 P84 T85	Y29-I89 HydrophobicContact CD2-CG2 4.16Å; Y29-I89 HydrophobicContact CE2-CG2 4.24Å; P84-I89 HydrophobicContact CB-CD1 3.49Å; P84-I89 VanDerWaalsContact CB-CD1 3.49Å; P84-I89 HydrophobicContact CB-CG1 3.63Å; P84-I89 HydrophobicContact CG-CD1 4.29Å; T85-I89 PolarHBondContact O-N 3.02Å
90	Y	32.4	Very low	29.3	Very low	65 Å²	65	101.8 Å²	101.8	26%	0.255	49%	0.494	S	S	.	.	H	α-helix	trans	-101	-11.9	-164.2	-49.7	-141.4	0	0	0	113.4	R34 S86 H92 H93	R34-Y90 WeakPolarHBondContact CA-OH 3.23Å; R34-Y90 HydrophobicContact CG-CE1 4.05Å; R34-Y90 WeakPolarHBondContact CG-OH 3.23Å; S86-Y90 VanDerWaalsContact O-CA 3.27Å; S86-Y90 WeakPolarHBondContact O-CA 3.37Å; S86-Y90 WeakPolarHBondContact O-CB 3.38Å; S86-Y90 WeakPolarHBondContact O-CD2 3.48Å; S86-Y90 PolarHBondContact O-N 3.31Å; Y90-H92 PolarHBondContact O-N 3.14Å; Y90-H93 PolarHBondContact O-CE1 3.31Å; Y90-H93 PolarHBondContact O-ND1 2.96Å; Y90-H93 VanDerWaalsContact O-ND1 3.11Å
91	E	24.8	Very low	29.4	Very low	49 Å²	49	99.8 Å²	99.8	23%	0.229	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-87.6	26.1	167.6	-70.4	-156.5	155.5	0	0	113.4	D87 H93 K94 Y95	D87-E91 WeakPolarHBondContact O-CB 2.97Å; D87-E91 WeakPolarHBondContact O-CG 2.95Å; D87-E91 PolarHBondContact O-N 2.98Å; E91-H93 PolarHBondContact O-N 3.34Å; E91-H93 VanDerWaalsContact O-N 3.08Å; E91-K94 HydrophobicContact CB-CB 3.99Å; E91-K94 HydrophobicContact CG-CB 4.46Å; E91-K94 HydrophobicContact CG-CD 4.3Å; E91-K94 WeakPolarHBondContact O-CA 3.46Å; E91-K94 PolarHBondContact O-N 3Å; E91-K94 VanDerWaalsContact OE1-CD 3.28Å; E91-K94 WeakPolarHBondContact OE1-CD 3.15Å; E91-K94 IonicContact OE1-NZ 3.69Å; E91-K94 PolarHBondContact OE1-NZ 2.89Å; E91-K94 WeakPolarHBondContact OE2-CD 3.33Å; E91-K94 IonicContact OE2-NZ 2.85Å; E91-Y95 HydrophobicContact CB-CD2 4.03Å; E91-Y95 HydrophobicContact CB-CE2 4.32Å; E91-Y95 PolarHBondContact O-N 3.17Å; E91-Y95 VanDerWaalsContact OE2-CE2 3.22Å; E91-Y95 WeakPolarHBondContact OE2-CE2 3.35Å
92	H	31.3	Very low	29.7	Very low	95 Å²	95	99.8 Å²	99.8	44%	0.44	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-57.3	-23.5	172.7	-156.7	-59	0	0	0	112.8	Y90	Y90-H92 PolarHBondContact O-N 3.14Å
93	H	31.9	Very low	30.4	Very low	143 Å²	143	101.1 Å²	101.1	66%	0.662	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-78	-28.6	173.2	64	-81.4	0	0	0	113.1	Y90 E91	Y90-H93 PolarHBondContact O-CE1 3.31Å; Y90-H93 PolarHBondContact O-ND1 2.96Å; Y90-H93 VanDerWaalsContact O-ND1 3.11Å; E91-H93 PolarHBondContact O-N 3.34Å; E91-H93 VanDerWaalsContact O-N 3.08Å
94	K	30.7	Very low	31.1	Very low	137 Å²	137	99.9 Å²	99.9	60%	0.596	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-35.6	177.7	-123.5	179.5	-172.4	176.9	0	112.3	E91	E91-K94 HydrophobicContact CB-CB 3.99Å; E91-K94 HydrophobicContact CG-CB 4.46Å; E91-K94 HydrophobicContact CG-CD 4.3Å; E91-K94 WeakPolarHBondContact O-CA 3.46Å; E91-K94 PolarHBondContact O-N 3Å; E91-K94 VanDerWaalsContact OE1-CD 3.28Å; E91-K94 WeakPolarHBondContact OE1-CD 3.15Å; E91-K94 IonicContact OE1-NZ 3.69Å; E91-K94 PolarHBondContact OE1-NZ 2.89Å; E91-K94 WeakPolarHBondContact OE2-CD 3.33Å; E91-K94 IonicContact OE2-NZ 2.85Å
95	Y	31.6	Very low	31.8	Very low	153 Å²	153	99.4 Å²	99.4	60%	0.6	46%	0.464	S	S	*	.			trans	-113.7	57.9	179.8	-60.3	-73.2	0	0	0	112.1	E91 K97	E91-Y95 HydrophobicContact CB-CD2 4.03Å; E91-Y95 HydrophobicContact CB-CE2 4.32Å; E91-Y95 PolarHBondContact O-N 3.17Å; E91-Y95 VanDerWaalsContact OE2-CE2 3.22Å; E91-Y95 WeakPolarHBondContact OE2-CE2 3.35Å; Y95-K97 PolarHBondContact O-N 3.35Å
96	R	32	Very low	32.5	Very low	222 Å²	222	103.7 Å²	103.7	84%	0.838	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	10.1	171.2	-91	-174.3	175.9	-178.7	0.4	115.9
97	K	33.5	Very low	33.3	Very low	200 Å²	200	104.1 Å²	104.1	87%	0.87	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-2.3	-174.4	-75.9	-169.2	177.4	-178.1	0	115.6	Y95	Y95-K97 PolarHBondContact O-N 3.35Å
98	I	29.7	Very low	34.1	Very low	77 Å²	77	100.8 Å²	100.8	40%	0.395	46%	0.455	S	S	.	.			trans	-107.5	110.8	177.5	-52.8	-179.1	0	0	0	108.3	R102	I98-R102 HydrophobicContact CG2-CB 3.59Å
99	N	31.4	Very low	34.9	Very low	90 Å²	90	100.4 Å²	100.4	48%	0.481	45%	0.454	S	S	.	.			trans	-66.6	157.1	175.5	78.3	0.8	0	0	0	110.8	T101 R102	N99-T101 PolarHBondContact ND2-OG1 3.05Å; N99-T101 PolarHBondContact O-N 3.32Å; N99-T101 VanDerWaalsContact O-N 3.13Å; N99-T101 VanDerWaalsContact OD1-CB 3.23Å; N99-T101 WeakPolarHBondContact OD1-CB 3.2Å; N99-T101 PolarHBondContact OD1-N 2.87Å; N99-R102 PolarHBondContact O-N 2.83Å; N99-R102 VanDerWaalsContact O-N 3.11Å; N99-R102 PolarHBondContact OD1-N 3.26Å
100	S	34.9	Very low	35.4	Very low	84 Å²	84	101.6 Å²	101.6	59%	0.587	47%	0.465	S	S	*	.	H	α-helix	trans	-52.8	-32.3	177.2	49.6	0	0	0	0	113.3	R102 L103 E104	S100-R102 PolarHBondContact O-N 3.09Å; S100-L103 PolarHBondContact O-N 3.41Å; S100-E104 PolarHBondContact O-N 3.31Å
101	T	35.3	Very low	35.8	Very low	64 Å²	64	100 Å²	100	39%	0.393	46%	0.46	S	S	.	.	H	α-helix	trans	-58.1	-43.8	177.5	-37.3	0	0	0	0	112.6	N99 L103 D105	N99-T101 PolarHBondContact ND2-OG1 3.05Å; N99-T101 PolarHBondContact O-N 3.32Å; N99-T101 VanDerWaalsContact O-N 3.13Å; N99-T101 VanDerWaalsContact OD1-CB 3.23Å; N99-T101 WeakPolarHBondContact OD1-CB 3.2Å; N99-T101 PolarHBondContact OD1-N 2.87Å; T101-L103 VanDerWaalsContact C-N 3.3Å; T101-L103 PolarHBondContact O-N 3.1Å; T101-D105 WeakPolarHBondContact O-CB 3.25Å; T101-D105 PolarHBondContact O-N 3.13Å; T101-D105 VanDerWaalsContact O-N 3.11Å
102	R	37	Very low	36.5	Very low	161 Å²	161	100 Å²	100	61%	0.608	46%	0.461	S	S	*	.	H	α-helix	trans	-69	-26.9	-179.1	-86.5	-175.8	171.8	-177.9	-1.6	113.5	I98 N99 S100 R106	I98-R102 HydrophobicContact CG2-CB 3.59Å; N99-R102 PolarHBondContact O-N 2.83Å; N99-R102 VanDerWaalsContact O-N 3.11Å; N99-R102 PolarHBondContact OD1-N 3.26Å; S100-R102 PolarHBondContact O-N 3.09Å; R102-R106 WeakPolarHBondContact O-CB 3.38Å; R102-R106 VanDerWaalsContact O-CG 3.23Å; R102-R106 WeakPolarHBondContact O-CG 3.24Å; R102-R106 PolarHBondContact O-N 3.04Å
103	L	39	Very low	36.9	Very low	69 Å²	69	101.5 Å²	101.5	36%	0.361	47%	0.468	S	S	.	.	H	α-helix	trans	-76.5	-45.2	179.3	-174.4	67.2	0	0	0	111.1	W88 S100 T101 R106 L107	W88-L103 HydrophobicContact CE3-CD1 4.1Å; W88-L103 HydrophobicContact CZ3-CD1 3.73Å; S100-L103 PolarHBondContact O-N 3.41Å; T101-L103 VanDerWaalsContact C-N 3.3Å; T101-L103 PolarHBondContact O-N 3.1Å; L103-R106 WeakPolarHBondContact O-CB 3.37Å; L103-R106 PolarHBondContact O-N 3.44Å; L103-L107 PolarHBondContact O-N 3.37Å
104	E	40.4	Very low	37.3	Very low	64 Å²	64	96.2 Å²	96.2	30%	0.299	44%	0.443	S	S	.	.	H	α-helix	trans	-61.3	-44.9	175.1	-72.2	175.8	164.3	0	0	111.7	S100 R106 L107 N108 K262	S100-E104 PolarHBondContact O-N 3.31Å; E104-R106 VanDerWaalsContact C-N 3.26Å; E104-R106 PolarHBondContact O-N 2.87Å; E104-L107 PolarHBondContact O-N 3.41Å; E104-N108 PolarHBondContact O-N 2.76Å; E104-N108 PolarHBondContact O-ND2 2.77Å; E104-K262 WeakPolarHBondContact OE2-CE 3.49Å; E104-K262 IonicContact OE2-NZ 3.07Å; E104-K262 PolarHBondContact OE2-NZ 3.48Å
105	D	42	Very low	38	Very low	44 Å²	44	94 Å²	94	24%	0.235	44%	0.443	C	S	.	.	H	α-helix	trans	-56.9	-41	174.8	-84.1	-1.8	0	0	0	112.2	T101 R109	T101-D105 WeakPolarHBondContact O-CB 3.25Å; T101-D105 PolarHBondContact O-N 3.13Å; T101-D105 VanDerWaalsContact O-N 3.11Å; D105-R109 WeakPolarHBondContact O-CB 3.48Å; D105-R109 WeakPolarHBondContact O-CG 3.39Å; D105-R109 PolarHBondContact O-N 3.24Å
106	R	39.7	Very low	38.6	Very low	131 Å²	131	89 Å²	89	49%	0.494	43%	0.428	S	S	.	.	H	α-helix	trans	-67.2	-45.3	178.7	-80.2	177.5	129.3	-178.5	-3.2	111.6	R102 L103 E104 R109 S110	R102-R106 WeakPolarHBondContact O-CB 3.38Å; R102-R106 VanDerWaalsContact O-CG 3.23Å; R102-R106 WeakPolarHBondContact O-CG 3.24Å; R102-R106 PolarHBondContact O-N 3.04Å; L103-R106 WeakPolarHBondContact O-CB 3.37Å; L103-R106 PolarHBondContact O-N 3.44Å; E104-R106 VanDerWaalsContact C-N 3.26Å; E104-R106 PolarHBondContact O-N 2.87Å; R106-R109 PolarHBondContact O-N 3.33Å; R106-S110 PolarHBondContact O-N 3.35Å; R106-S110 PolarHBondContact O-OG 3.29Å
107	L	42	Very low	39.1	Very low	70 Å²	70	78.8 Å²	78.8	37%	0.366	39%	0.391	S	S	.	.	H	α-helix	trans	-58.5	-52	176	-74.6	168	0	0	0	110.7	L103 E104 R109 S110 F111	L103-L107 PolarHBondContact O-N 3.37Å; E104-L107 PolarHBondContact O-N 3.41Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 2.88Å; L107-S110 WeakPolarHBondContact O-CB 3.36Å; L107-S110 PolarHBondContact O-N 3.19Å; L107-S110 VanDerWaalsContact O-N 3.09Å; L107-F111 WeakPolarHBondContact O-CD2 3.25Å; L107-F111 PolarHBondContact O-N 3.37Å; L107-F111 VanDerWaalsContact O-N 3.08Å
108	N	43.6	Very low	39.7	Very low	32 Å²	32	72.1 Å²	72.1	17%	0.171	36%	0.364	C	S	.	.	H	α-helix	trans	-56.7	-46.4	178.4	-73.1	-25.5	0	0	0	111.8	E104 S110 F111 L112	E104-N108 PolarHBondContact O-N 2.76Å; E104-N108 PolarHBondContact O-ND2 2.77Å; N108-S110 VanDerWaalsContact C-N 3.31Å; N108-S110 PolarHBondContact O-N 3.17Å; N108-F111 PolarHBondContact O-N 2.74Å; N108-L112 WeakPolarHBondContact O-CG 3.34Å; N108-L112 PolarHBondContact O-N 2.64Å; N108-L112 VanDerWaalsContact O-N 3.07Å
109	R	40.9	Very low	40.4	Very low	125 Å²	125	70.4 Å²	70.4	47%	0.472	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-36.5	176.9	-74.7	175.9	-168.1	-162	5.9	113.1	D105 R106 L107 L112	D105-R109 WeakPolarHBondContact O-CB 3.48Å; D105-R109 WeakPolarHBondContact O-CG 3.39Å; D105-R109 PolarHBondContact O-N 3.24Å; R106-R109 PolarHBondContact O-N 3.33Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 2.88Å; R109-L112 PolarHBondContact O-N 3.49Å
110	S	39.5	Very low	41	Very low	59 Å²	59	66.5 Å²	66.5	41%	0.413	33%	0.333	S	S	.	.	H	α-helix	trans	-66.3	-39.5	176.4	-61.8	0	0	0	0	111.7	R106 L107 N108 Q113 F114	R106-S110 PolarHBondContact O-N 3.35Å; R106-S110 PolarHBondContact O-OG 3.29Å; L107-S110 WeakPolarHBondContact O-CB 3.36Å; L107-S110 PolarHBondContact O-N 3.19Å; L107-S110 VanDerWaalsContact O-N 3.09Å; N108-S110 VanDerWaalsContact C-N 3.31Å; N108-S110 PolarHBondContact O-N 3.17Å; S110-Q113 PolarHBondContact O-N 2.8Å; S110-F114 WeakPolarHBondContact O-CE2 3.34Å
111	F	40	Very low	41.5	Very low	32 Å²	32	63.9 Å²	63.9	14%	0.14	31%	0.312	C	S	.	.	H	α-helix	trans	-66.5	-36.6	175	-75.2	-75.5	0	0	0	112.8	W69 A73 L76 L107 N108 Q113 F114 A117 I121	W69-F111 HydrophobicContact CZ3-CE1 4.32Å; A73-F111 HydrophobicContact CB-CE1 4.49Å; A73-F111 HydrophobicContact CB-CZ 3.82Å; L76-F111 HydrophobicContact CD1-CD1 3.75Å; L76-F111 HydrophobicContact CD1-CE1 3.68Å; L107-F111 WeakPolarHBondContact O-CD2 3.25Å; L107-F111 PolarHBondContact O-N 3.37Å; L107-F111 VanDerWaalsContact O-N 3.08Å; N108-F111 PolarHBondContact O-N 2.74Å; F111-Q113 PolarHBondContact O-N 3.47Å; F111-F114 PolarHBondContact O-N 3.23Å; F111-F114 VanDerWaalsContact O-N 3.09Å; F111-A117 HydrophobicContact CB-CB 4.35Å; F111-A117 HydrophobicContact CD1-CB 4.12Å; F111-A117 WeakPolarHBondContact O-CB 3.27Å; F111-I121 HydrophobicContact CB-CD1 3.87Å; F111-I121 HydrophobicContact CG-CD1 4.44Å
112	L	40.4	Very low	41.9	Very low	49 Å²	49	61.8 Å²	61.8	26%	0.257	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-10.2	178.7	-67.2	175.2	0	0	0	113.8	N108 R109 F114 I118 L259	N108-L112 WeakPolarHBondContact O-CG 3.34Å; N108-L112 PolarHBondContact O-N 2.64Å; N108-L112 VanDerWaalsContact O-N 3.07Å; R109-L112 PolarHBondContact O-N 3.49Å; L112-F114 VanDerWaalsContact C-N 3.26Å; L112-F114 PolarHBondContact O-N 2.87Å; L112-I118 HydrophobicContact CB-CG1 4.44Å; L112-I118 HydrophobicContact CD2-CG1 3.82Å; L112-I118 WeakPolarHBondContact O-CD1 3.49Å; L112-L259 HydrophobicContact CD1-CD1 4.43Å
113	Q	40.3	Very low	42.3	Very low	126 Å²	126	54.1 Å²	54.1	59%	0.589	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.4	175	-62	-174.9	4.4	0	0	113.1	S110 F111	S110-Q113 PolarHBondContact O-N 2.8Å; F111-Q113 PolarHBondContact O-N 3.47Å
114	F	40.3	Very low	42.5	Very low	32 Å²	32	52 Å²	52	14%	0.14	26%	0.261	C	S	.	.			trans	-107.4	118	178.2	-53.3	-94.7	0	0	0	109.8	L76 Y80 S110 F111 L112 V116 A117 I118	L76-F114 HydrophobicContact CB-CE2 4.13Å; L76-F114 HydrophobicContact CB-CZ 4.02Å; L76-F114 HydrophobicContact CD1-CD2 4.1Å; L76-F114 HydrophobicContact CD1-CE2 3.79Å; L76-F114 HydrophobicContact CD1-CZ 4.1Å; L76-F114 HydrophobicContact CD2-CD1 4.1Å; L76-F114 HydrophobicContact CD2-CD2 4.33Å; L76-F114 HydrophobicContact CD2-CE1 3.36Å; L76-F114 HydrophobicContact CD2-CE2 3.7Å; L76-F114 HydrophobicContact CD2-CG 4.48Å; L76-F114 HydrophobicContact CD2-CZ 3.09Å; L76-F114 HydrophobicContact CG-CE2 4.05Å; L76-F114 HydrophobicContact CG-CZ 3.87Å; Y80-F114 HydrophobicContact CD2-CE1 4.15Å; Y80-F114 HydrophobicContact CD2-CE2 4.23Å; Y80-F114 AromaticContact CD2-CZ 3.39Å; Y80-F114 HydrophobicContact CD2-CZ 3.39Å; Y80-F114 HydrophobicContact CE1-CE1 4.38Å; Y80-F114 HydrophobicContact CE1-CZ 4.07Å; Y80-F114 HydrophobicContact CE2-CD1 4.48Å; Y80-F114 AromaticContact CE2-CE1 3.19Å; Y80-F114 HydrophobicContact CE2-CE1 3.19Å; Y80-F114 AromaticContact CE2-CE2 3.99Å; Y80-F114 HydrophobicContact CE2-CE2 3.99Å; Y80-F114 AromaticContact CE2-CZ 2.88Å; Y80-F114 HydrophobicContact CE2-CZ 2.88Å; Y80-F114 HydrophobicContact CG-CZ 4.23Å; Y80-F114 AromaticContact CZ-CE1 3.27Å; Y80-F114 AromaticContact CZ-CZ 3.21Å; Y80-F114 WeakPolarHBondContact OH-CE1 3.22Å; Y80-F114 WeakPolarHBondContact OH-CZ 3.36Å; S110-F114 WeakPolarHBondContact O-CE2 3.34Å; F111-F114 PolarHBondContact O-N 3.23Å; F111-F114 VanDerWaalsContact O-N 3.09Å; L112-F114 VanDerWaalsContact C-N 3.26Å; L112-F114 PolarHBondContact O-N 2.87Å; F114-V116 PolarHBondContact O-N 2.94Å; F114-V116 VanDerWaalsContact O-N 3.14Å; F114-A117 HydrophobicContact CB-CB 3.82Å; F114-A117 HydrophobicContact CD2-CB 4.46Å; F114-A117 PolarHBondContact O-N 3.36Å; F114-I118 WeakPolarHBondContact O-CG1 3.43Å; F114-I118 PolarHBondContact O-N 3.05Å
115	P	45.6	Very low	42.7	Very low	91 Å²	91	49.9 Å²	49.9	59%	0.591	25%	0.251	S	S	*	.	H	α-helix	trans	-52.7	-38.1	174.1	-27.4	35	0	0	0	112.3	I118 E119	P115-I118 WeakPolarHBondContact O-CB 3.47Å; P115-I118 PolarHBondContact O-N 3.21Å; P115-E119 WeakPolarHBondContact O-CB 2.71Å; P115-E119 WeakPolarHBondContact O-CG 3.47Å; P115-E119 PolarHBondContact O-N 3.46Å
116	V	42.7	Very low	42.8	Very low	47 Å²	47	48.1 Å²	48.1	29%	0.285	24%	0.243	S	C	.	.	H	α-helix	trans	-66.8	-45.4	177.5	179.7	0	0	0	0	111.6	F114 I118 E119 M120 W164 L173	F114-V116 PolarHBondContact O-N 2.94Å; F114-V116 VanDerWaalsContact O-N 3.14Å; V116-I118 VanDerWaalsContact C-N 3.28Å; V116-I118 PolarHBondContact O-N 2.92Å; V116-E119 PolarHBondContact O-N 2.95Å; V116-M120 HydrophobicContact CG1-CG 4.32Å; V116-M120 HydrophobicContact CG1-SD 4.06Å; V116-M120 WeakPolarHBondContact O-CB 2.78Å; V116-M120 WeakPolarHBondContact O-CG 3.49Å; V116-M120 PolarHBondContact O-N 2.86Å; V116-W164 HydrophobicContact CG1-CH2 4.48Å; V116-W164 HydrophobicContact CG1-CZ3 4.1Å; V116-L173 HydrophobicContact CG1-CB 4.14Å; V116-L173 HydrophobicContact CG1-CD1 4.25Å
117	A	43.3	Very low	42.8	Very low	7 Å²	7	42.1 Å²	42.1	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-67.4	-32.3	177.9	0	0	0	0	0	111.7	F111 F114 I121	F111-A117 HydrophobicContact CB-CB 4.35Å; F111-A117 HydrophobicContact CD1-CB 4.12Å; F111-A117 WeakPolarHBondContact O-CB 3.27Å; F114-A117 HydrophobicContact CB-CB 3.82Å; F114-A117 HydrophobicContact CD2-CB 4.46Å; F114-A117 PolarHBondContact O-N 3.36Å; A117-I121 WeakPolarHBondContact O-CB 3.2Å; A117-I121 WeakPolarHBondContact O-CD1 3.44Å; A117-I121 WeakPolarHBondContact O-CG1 3.16Å; A117-I121 PolarHBondContact O-N 2.88Å
118	I	45.5	Very low	42.7	Very low	61 Å²	61	41.5 Å²	41.5	31%	0.313	21%	0.214	S	C	.	.	H	α-helix	trans	-61.5	-55.3	169.4	-65.3	164.1	0	0	0	110	L112 F114 P115 V116 M120 I121 V122	L112-I118 HydrophobicContact CB-CG1 4.44Å; L112-I118 HydrophobicContact CD2-CG1 3.82Å; L112-I118 WeakPolarHBondContact O-CD1 3.49Å; F114-I118 WeakPolarHBondContact O-CG1 3.43Å; F114-I118 PolarHBondContact O-N 3.05Å; P115-I118 WeakPolarHBondContact O-CB 3.47Å; P115-I118 PolarHBondContact O-N 3.21Å; V116-I118 VanDerWaalsContact C-N 3.28Å; V116-I118 PolarHBondContact O-N 2.92Å; I118-M120 PolarHBondContact O-N 3.21Å; I118-I121 PolarHBondContact O-N 3.48Å; I118-V122 HydrophobicContact CG2-CG2 4.05Å; I118-V122 VanDerWaalsContact O-CB 3.26Å; I118-V122 WeakPolarHBondContact O-CB 3.25Å; I118-V122 WeakPolarHBondContact O-CG2 3.4Å; I118-V122 PolarHBondContact O-N 2.95Å
119	E	44	Very low	42.5	Very low	40 Å²	40	41.3 Å²	41.3	19%	0.187	21%	0.211	C	C	.	.	H	α-helix	trans	-57.5	-36.2	179.5	-74.5	176	-175.2	0	0	111.7	P115 V116 A123 W164	P115-E119 WeakPolarHBondContact O-CB 2.71Å; P115-E119 WeakPolarHBondContact O-CG 3.47Å; P115-E119 PolarHBondContact O-N 3.46Å; V116-E119 PolarHBondContact O-N 2.95Å; E119-A123 WeakPolarHBondContact O-CB 3.35Å; E119-A123 PolarHBondContact O-N 2.76Å; E119-W164 HydrophobicContact CB-CH2 3.66Å; E119-W164 HydrophobicContact CB-CZ2 3.91Å
120	M	45.2	Very low	42.6	Very low	8 Å²	8	36.1 Å²	36.1	4%	0.039	19%	0.191	C	C	.	.	H	α-helix	trans	-68.2	-49.3	174.3	-75.2	-176.1	78	0	0	113.7	W69 V116 I118 V122 A123 S124 W164 V170	W69-M120 HydrophobicContact CD2-CE 4.44Å; W69-M120 HydrophobicContact CH2-CB 3.89Å; W69-M120 HydrophobicContact CH2-CE 4.19Å; W69-M120 HydrophobicContact CZ2-CB 3.76Å; W69-M120 HydrophobicContact CZ2-CE 3.43Å; W69-M120 VanDerWaalsContact CZ2-CE 3.43Å; W69-M120 HydrophobicContact CZ2-CG 4.48Å; W69-M120 HydrophobicContact CZ2-SD 4.32Å; V116-M120 HydrophobicContact CG1-CG 4.32Å; V116-M120 HydrophobicContact CG1-SD 4.06Å; V116-M120 WeakPolarHBondContact O-CB 2.78Å; V116-M120 WeakPolarHBondContact O-CG 3.49Å; V116-M120 PolarHBondContact O-N 2.86Å; I118-M120 PolarHBondContact O-N 3.21Å; M120-V122 PolarHBondContact O-N 3.46Å; M120-A123 PolarHBondContact O-N 3.24Å; M120-S124 WeakPolarHBondContact O-CB 3.48Å; M120-S124 PolarHBondContact O-N 3.05Å; M120-S124 PolarHBondContact O-OG 3.49Å; M120-W164 HydrophobicContact CB-CE3 4.36Å; M120-W164 HydrophobicContact CB-CZ3 4.21Å; M120-W164 HydrophobicContact CE-CE3 4.35Å; M120-W164 HydrophobicContact CG-CD2 4.31Å; M120-W164 HydrophobicContact CG-CE3 3.24Å; M120-W164 HydrophobicContact CG-CH2 3.9Å; M120-W164 HydrophobicContact CG-CZ3 3Å; M120-W164 HydrophobicContact SD-CE3 4.15Å; M120-W164 HydrophobicContact SD-CZ3 3.96Å; M120-V170 HydrophobicContact CE-CB 4.08Å; M120-V170 HydrophobicContact CE-CG1 3.47Å; M120-V170 VanDerWaalsContact CE-CG1 3.47Å; M120-V170 HydrophobicContact CE-CG2 3.51Å; M120-V170 HydrophobicContact SD-CG1 4.37Å
121	I	44	Very low	42.5	Very low	29 Å²	29	36.3 Å²	36.3	15%	0.149	18%	0.183	C	C	.	.	H	α-helix	trans	-61.2	-41.3	176.2	-71	165	0	0	0	109.4	W69 F111 A117 I118 K125 L259	W69-I121 HydrophobicContact CH2-CG1 4.11Å; F111-I121 HydrophobicContact CB-CD1 3.87Å; F111-I121 HydrophobicContact CG-CD1 4.44Å; A117-I121 WeakPolarHBondContact O-CB 3.2Å; A117-I121 WeakPolarHBondContact O-CD1 3.44Å; A117-I121 WeakPolarHBondContact O-CG1 3.16Å; A117-I121 PolarHBondContact O-N 2.88Å; I118-I121 PolarHBondContact O-N 3.48Å; I121-K125 HydrophobicContact CG2-CD 4.22Å; I121-K125 VanDerWaalsContact O-CB 3.27Å; I121-K125 WeakPolarHBondContact O-CB 3.39Å; I121-K125 VanDerWaalsContact O-CG 3.31Å; I121-K125 WeakPolarHBondContact O-CG 3.5Å; I121-K125 PolarHBondContact O-N 3.03Å; I121-L259 HydrophobicContact CG2-CD2 4.33Å
122	V	45	Very low	42.3	Very low	20 Å²	20	38.1 Å²	38.1	12%	0.121	19%	0.194	C	C	.	.	H	α-helix	trans	-63	-44.8	174.6	171.2	0	0	0	0	110.3	I118 M120 K125 A126 I195 F203 Y252	I118-V122 HydrophobicContact CG2-CG2 4.05Å; I118-V122 VanDerWaalsContact O-CB 3.26Å; I118-V122 WeakPolarHBondContact O-CB 3.25Å; I118-V122 WeakPolarHBondContact O-CG2 3.4Å; I118-V122 PolarHBondContact O-N 2.95Å; M120-V122 PolarHBondContact O-N 3.46Å; V122-K125 PolarHBondContact O-N 3.31Å; V122-A126 WeakPolarHBondContact O-CB 3.13Å; V122-A126 PolarHBondContact O-N 2.77Å; V122-I195 HydrophobicContact CG1-CD1 3.95Å; V122-F203 HydrophobicContact CG1-CB 4.04Å; V122-F203 HydrophobicContact CG1-CD1 4.29Å; V122-Y252 HydrophobicContact CG1-CE2 4.44Å; V122-Y252 HydrophobicContact CG2-CD2 3.84Å; V122-Y252 HydrophobicContact CG2-CE2 4.08Å
123	A	44.7	Very low	42.4	Very low	1 Å²	1	36.2 Å²	36.2	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-44.9	179.8	0	0	0	0	0	112.8	E119 M120 K125 A126 S127 W164 F203	E119-A123 WeakPolarHBondContact O-CB 3.35Å; E119-A123 PolarHBondContact O-N 2.76Å; M120-A123 PolarHBondContact O-N 3.24Å; A123-K125 PolarHBondContact O-N 3.32Å; A123-A126 PolarHBondContact O-N 3.24Å; A123-S127 VanDerWaalsContact O-CB 3.31Å; A123-S127 WeakPolarHBondContact O-CB 3.48Å; A123-S127 PolarHBondContact O-N 3.39Å; A123-W164 HydrophobicContact CB-CG 4.33Å; A123-F203 HydrophobicContact CB-CE1 4.19Å
124	S	43.4	Very low	42.3	Very low	23 Å²	23	31.2 Å²	31.2	16%	0.161	16%	0.163	C	C	.	.	H	α-helix	trans	-67.2	-21.2	175.2	-60.4	0	0	0	0	113.3	M120 S127 W128	M120-S124 WeakPolarHBondContact O-CB 3.48Å; M120-S124 PolarHBondContact O-N 3.05Å; M120-S124 PolarHBondContact O-OG 3.49Å; S124-S127 WeakPolarHBondContact CA-OG 3.2Å; S124-S127 PolarHBondContact O-OG 3.12Å; S124-W128 PolarHBondContact O-N 3.14Å
125	K	44.6	Very low	42	Very low	21 Å²	21	30.1 Å²	30.1	9%	0.091	16%	0.158	C	C	.	.	H	α-helix	trans	-97.4	-30	175.5	-72.3	-171.9	175.9	-170.5	0	113.2	I121 V122 A123 S127 W128 W129 F258 L259	I121-K125 HydrophobicContact CG2-CD 4.22Å; I121-K125 VanDerWaalsContact O-CB 3.27Å; I121-K125 WeakPolarHBondContact O-CB 3.39Å; I121-K125 VanDerWaalsContact O-CG 3.31Å; I121-K125 WeakPolarHBondContact O-CG 3.5Å; I121-K125 PolarHBondContact O-N 3.03Å; V122-K125 PolarHBondContact O-N 3.31Å; A123-K125 PolarHBondContact O-N 3.32Å; K125-S127 VanDerWaalsContact C-N 3.27Å; K125-W128 CarbonylContact O-C 3.59Å; K125-W128 WeakPolarHBondContact O-CA 3.42Å; K125-W128 VanDerWaalsContact O-CB 3.28Å; K125-W128 WeakPolarHBondContact O-CB 3.47Å; K125-W128 PolarHBondContact O-N 3.4Å; K125-W128 VanDerWaalsContact O-N 3.1Å; K125-W129 PolarHBondContact O-N 3.14Å; K125-F258 PolarHBondContact NZ-O 2.82Å; K125-L259 VanDerWaalsContact NZ-CA 3.26Å; K125-L259 PolarHBondContact NZ-O 3.11Å
126	A	43.3	Very low	41.7	Very low	7 Å²	7	26.2 Å²	26.2	6%	0.058	13%	0.133	C	C	.	.	H	α-helix	trans	-63.7	-40.5	165	0	0	0	0	0	109.2	V122 A123 W128 W129 Y130 F203	V122-A126 WeakPolarHBondContact O-CB 3.13Å; V122-A126 PolarHBondContact O-N 2.77Å; A123-A126 PolarHBondContact O-N 3.24Å; A126-W128 PolarHBondContact O-N 2.96Å; A126-W129 CarbonylContact O-C 3.56Å; A126-W129 WeakPolarHBondContact O-CA 3.26Å; A126-W129 WeakPolarHBondContact O-CB 3.15Å; A126-W129 PolarHBondContact O-N 3.14Å; A126-Y130 WeakPolarHBondContact O-CB 3.35Å; A126-Y130 PolarHBondContact O-N 2.87Å; A126-F203 HydrophobicContact CB-CB 4.23Å; A126-F203 HydrophobicContact CB-CD1 3.08Å; A126-F203 HydrophobicContact CB-CE1 3.6Å; A126-F203 HydrophobicContact CB-CG 3.93Å
127	S	41.3	Very low	41.5	Very low	4 Å²	4	25.1 Å²	25.1	3%	0.028	13%	0.129	C	C	.	.	H	α-helix	trans	-56.6	-40.1	168.8	79.2	0	0	0	0	110.9	A123 S124 K125 Y130 W131	A123-S127 VanDerWaalsContact O-CB 3.31Å; A123-S127 WeakPolarHBondContact O-CB 3.48Å; A123-S127 PolarHBondContact O-N 3.39Å; S124-S127 WeakPolarHBondContact CA-OG 3.2Å; S124-S127 PolarHBondContact O-OG 3.12Å; K125-S127 VanDerWaalsContact C-N 3.27Å; S127-Y130 PolarHBondContact O-N 2.96Å; S127-W131 WeakPolarHBondContact O-CA 3.41Å; S127-W131 VanDerWaalsContact O-CB 3.26Å; S127-W131 WeakPolarHBondContact O-CB 3.4Å; S127-W131 PolarHBondContact O-N 3.25Å
128	W	39.3	Very low	41.4	Very low	57 Å²	57	29.5 Å²	29.5	22%	0.216	15%	0.151	C	C	.	.	I	π-helix	trans	-63.6	-44.2	170.9	-175.1	82.3	0	0	0	113.1	S124 K125 A126 Y130 D132 M133 F258	S124-W128 PolarHBondContact O-N 3.14Å; K125-W128 CarbonylContact O-C 3.59Å; K125-W128 WeakPolarHBondContact O-CA 3.42Å; K125-W128 VanDerWaalsContact O-CB 3.28Å; K125-W128 WeakPolarHBondContact O-CB 3.47Å; K125-W128 PolarHBondContact O-N 3.4Å; K125-W128 VanDerWaalsContact O-N 3.1Å; A126-W128 PolarHBondContact O-N 2.96Å; W128-Y130 PolarHBondContact O-N 2.77Å; W128-D132 VanDerWaalsContact CD1-CB 3.48Å; W128-D132 HydrophobicContact CG-CB 4.17Å; W128-D132 CarbonylContact O-C 3.45Å; W128-D132 VanDerWaalsContact O-C 3.22Å; W128-D132 WeakPolarHBondContact O-CA 3.41Å; W128-D132 PolarHBondContact O-N 3.21Å; W128-D132 VanDerWaalsContact O-N 3.08Å; W128-M133 WeakPolarHBondContact O-CA 3.44Å; W128-M133 PolarHBondContact O-N 3.4Å; W128-F258 AromaticContact CE3-CZ 3.9Å; W128-F258 HydrophobicContact CE3-CZ 3.9Å; W128-F258 HydrophobicContact CH2-CE2 4.25Å; W128-F258 HydrophobicContact CH2-CZ 4.42Å; W128-F258 AromaticContact CZ3-CE2 3.72Å; W128-F258 HydrophobicContact CZ3-CE2 3.72Å; W128-F258 AromaticContact CZ3-CZ 3.49Å; W128-F258 HydrophobicContact CZ3-CZ 3.49Å; W128-F258 VanDerWaalsContact CZ3-CZ 3.49Å
129	W	39.5	Very low	41.1	Very low	29 Å²	29	27.3 Å²	27.3	11%	0.11	14%	0.14	C	C	.	.	I	π-helix	trans	-61.6	-22.6	172.3	-82.3	97.6	0	0	0	113.6	K125 A126 M133 P206 L242 Y252 F258	K125-W129 PolarHBondContact O-N 3.14Å; A126-W129 CarbonylContact O-C 3.56Å; A126-W129 WeakPolarHBondContact O-CA 3.26Å; A126-W129 WeakPolarHBondContact O-CB 3.15Å; A126-W129 PolarHBondContact O-N 3.14Å; W129-M133 HydrophobicContact CE3-CE 3.54Å; W129-M133 HydrophobicContact CE3-CG 4.34Å; W129-M133 HydrophobicContact CE3-SD 3.46Å; W129-M133 HydrophobicContact CH2-CE 4Å; W129-M133 HydrophobicContact CZ3-CE 3.16Å; W129-M133 HydrophobicContact CZ3-SD 3.74Å; W129-M133 WeakPolarHBondContact O-CB 2.99Å; W129-P206 HydrophobicContact CE3-CB 4.17Å; W129-P206 HydrophobicContact CZ3-CB 4.01Å; W129-L242 HydrophobicContact CH2-CD2 4.12Å; W129-Y252 PolarHBondContact NE1-OH 2.93Å; W129-F258 AromaticContact CE2-CZ 3.49Å; W129-F258 VanDerWaalsContact CE2-CZ 3.49Å; W129-F258 HydrophobicContact CZ2-CE1 4.28Å; W129-F258 AromaticContact CZ2-CE2 3.97Å; W129-F258 HydrophobicContact CZ2-CE2 3.97Å; W129-F258 AromaticContact CZ2-CZ 3.61Å; W129-F258 HydrophobicContact CZ2-CZ 3.61Å; W129-F258 AromaticContact NE1-CE1 3.28Å; W129-F258 VanDerWaalsContact NE1-CE1 3.28Å; W129-F258 AromaticContact NE1-CZ 3.09Å
130	Y	42.3	Very low	40.7	Very low	15 Å²	15	27.6 Å²	27.6	6%	0.059	14%	0.144	C	C	.	.	I	π-helix	trans	-105.1	-41.7	-167.3	-159.9	-111.6	0	0	0	113	A126 S127 W128 V153 Y154 I157 P207	A126-Y130 WeakPolarHBondContact O-CB 3.35Å; A126-Y130 PolarHBondContact O-N 2.87Å; S127-Y130 PolarHBondContact O-N 2.96Å; W128-Y130 PolarHBondContact O-N 2.77Å; Y130-V153 PolarHBondContact OH-O 3.07Å; Y130-Y154 AromaticContact CD1-CD1 3.96Å; Y130-Y154 HydrophobicContact CD1-CD1 3.96Å; Y130-Y154 AromaticContact CD2-CD1 4Å; Y130-Y154 HydrophobicContact CD2-CD1 4Å; Y130-Y154 AromaticContact CD2-CE1 3.99Å; Y130-Y154 HydrophobicContact CD2-CE1 3.99Å; Y130-Y154 AromaticContact CE1-CD1 3.28Å; Y130-Y154 HydrophobicContact CE1-CD1 3.28Å; Y130-Y154 HydrophobicContact CE1-CE1 4.22Å; Y130-Y154 AromaticContact CE1-CG 3.87Å; Y130-Y154 HydrophobicContact CE1-CG 3.87Å; Y130-Y154 AromaticContact CE2-CD1 3.27Å; Y130-Y154 HydrophobicContact CE2-CD1 3.27Å; Y130-Y154 AromaticContact CE2-CE1 3.4Å; Y130-Y154 HydrophobicContact CE2-CE1 3.4Å; Y130-Y154 HydrophobicContact CE2-CG 4.16Å; Y130-Y154 HydrophobicContact CG-CD1 4.3Å; Y130-Y154 AromaticContact CZ-CD1 2.88Å; Y130-Y154 AromaticContact CZ-CE1 3.57Å; Y130-Y154 AromaticContact CZ-CG 3.45Å; Y130-Y154 VanDerWaalsContact CZ-CG 3.45Å; Y130-Y154 WeakPolarHBondContact OH-CA 3.1Å; Y130-Y154 WeakPolarHBondContact OH-CB 3.26Å; Y130-Y154 WeakPolarHBondContact OH-CD1 3.38Å; Y130-Y154 PolarHBondContact OH-N 2.98Å; Y130-I157 HydrophobicContact CD1-CG2 3.84Å; Y130-I157 HydrophobicContact CE1-CB 3.75Å; Y130-I157 HydrophobicContact CE1-CD1 4.49Å; Y130-I157 HydrophobicContact CE1-CG2 3.56Å; Y130-I157 HydrophobicContact CE2-CD1 3.76Å; Y130-I157 HydrophobicContact CE2-CG2 4.38Å; Y130-I157 HydrophobicContact CG-CG2 4.27Å; Y130-P207 HydrophobicContact CD2-CG 4.07Å; Y130-P207 HydrophobicContact CE2-CG 4.39Å
131	W	37.8	Very low	40.5	Very low	64 Å²	64	35.2 Å²	35.2	24%	0.242	18%	0.177	C	C	.	.	I	π-helix	trans	-100.2	-44.4	-179.2	-61	101.2	0	0	0	112.4	S127 V140 W143 A158	S127-W131 WeakPolarHBondContact O-CA 3.41Å; S127-W131 VanDerWaalsContact O-CB 3.26Å; S127-W131 WeakPolarHBondContact O-CB 3.4Å; S127-W131 PolarHBondContact O-N 3.25Å; W131-V140 HydrophobicContact CE3-CG1 3.87Å; W131-V140 HydrophobicContact CE3-CG2 4.31Å; W131-V140 HydrophobicContact CZ3-CG1 4.17Å; W131-V140 WeakPolarHBondContact O-CG2 3.42Å; W131-W143 HydrophobicContact CH2-CH2 4.16Å; W131-W143 AromaticContact CH2-CZ2 3.55Å; W131-W143 HydrophobicContact CH2-CZ2 3.55Å; W131-W143 HydrophobicContact CZ3-CH2 4.24Å; W131-W143 AromaticContact CZ3-CZ2 3.42Å; W131-W143 HydrophobicContact CZ3-CZ2 3.42Å; W131-W143 VanDerWaalsContact CZ3-CZ2 3.42Å; W131-A158 HydrophobicContact CH2-CB 3.94Å; W131-A158 HydrophobicContact CZ2-CB 3.41Å; W131-A158 VanDerWaalsContact CZ2-CB 3.41Å
132	D	36.6	Very low	40.1	Very low	70 Å²	70	37.9 Å²	37.9	37%	0.374	19%	0.192	S	C	.	.	I	π-helix	trans	-106.8	-1.3	-169.1	-79	-24.9	0	0	0	113.7	W128 P134	W128-D132 VanDerWaalsContact CD1-CB 3.48Å; W128-D132 HydrophobicContact CG-CB 4.17Å; W128-D132 CarbonylContact O-C 3.45Å; W128-D132 VanDerWaalsContact O-C 3.22Å; W128-D132 WeakPolarHBondContact O-CA 3.41Å; W128-D132 PolarHBondContact O-N 3.21Å; W128-D132 VanDerWaalsContact O-N 3.08Å; D132-P134 WeakPolarHBondContact O-CD 2.97Å; D132-P134 WeakPolarHBondContact O-CG 2.82Å
133	M	41.7	Very low	39.8	Very low	8 Å²	8	43.8 Å²	43.8	4%	0.039	21%	0.212	C	C	.	.			trans	-61.9	120.8	179	-160.9	-169.8	-174.4	0	0	106.4	W128 W129 L135 C136 A137 C210	W128-M133 WeakPolarHBondContact O-CA 3.44Å; W128-M133 PolarHBondContact O-N 3.4Å; W129-M133 HydrophobicContact CE3-CE 3.54Å; W129-M133 HydrophobicContact CE3-CG 4.34Å; W129-M133 HydrophobicContact CE3-SD 3.46Å; W129-M133 HydrophobicContact CH2-CE 4Å; W129-M133 HydrophobicContact CZ3-CE 3.16Å; W129-M133 HydrophobicContact CZ3-SD 3.74Å; W129-M133 WeakPolarHBondContact O-CB 2.99Å; M133-L135 HydrophobicContact CE-CB 3.92Å; M133-L135 HydrophobicContact CE-CD1 3.26Å; M133-L135 HydrophobicContact CE-CG 4.11Å; M133-L135 HydrophobicContact CG-CB 4.03Å; M133-L135 PolarHBondContact O-N 3.21Å; M133-L135 VanDerWaalsContact O-N 3.08Å; M133-L135 HydrophobicContact SD-CB 3.76Å; M133-L135 HydrophobicContact SD-CD1 4.23Å; M133-C136 HydrophobicContact CB-CB 4.33Å; M133-C136 CarbonylContact O-C 3.52Å; M133-C136 WeakPolarHBondContact O-CA 3.47Å; M133-C136 PolarHBondContact O-N 2.8Å; M133-A137 PolarHBondContact O-N 3.09Å; M133-C210 HydrophobicContact SD-CB 4.49Å
134	P	37.6	Very low	39.4	Very low	22 Å²	22	49 Å²	49	14%	0.143	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.3	-176.8	-28.2	42.5	0	0	0	112.4	D132 C136 Q269 R270	D132-P134 WeakPolarHBondContact O-CD 2.97Å; D132-P134 WeakPolarHBondContact O-CG 2.82Å; P134-C136 PolarHBondContact O-N 2.93Å; P134-Q269 HydrophobicContact CB-CB 3.67Å; P134-Q269 HydrophobicContact CG-CB 3.52Å; P134-Q269 HydrophobicContact CG-CG 4.37Å; P134-Q269 VanDerWaalsContact CG-OE1 3.29Å; P134-R270 HydrophobicContact CB-CG 4.02Å
135	L	35.2	Very low	39.2	Very low	9 Å²	9	53.3 Å²	53.3	5%	0.047	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.7	165.3	-86	163.6	0	0	0	113.4	M133 R213 I214 F238 A273	M133-L135 HydrophobicContact CE-CB 3.92Å; M133-L135 HydrophobicContact CE-CD1 3.26Å; M133-L135 HydrophobicContact CE-CG 4.11Å; M133-L135 HydrophobicContact CG-CB 4.03Å; M133-L135 PolarHBondContact O-N 3.21Å; M133-L135 VanDerWaalsContact O-N 3.08Å; M133-L135 HydrophobicContact SD-CB 3.76Å; M133-L135 HydrophobicContact SD-CD1 4.23Å; L135-R213 HydrophobicContact CD2-CB 3.84Å; L135-R213 WeakPolarHBondContact O-CD 3.07Å; L135-R213 PolarHBondContact O-NE 3Å; L135-R213 PolarHBondContact O-NH1 3.4Å; L135-I214 HydrophobicContact CD1-CG2 3.92Å; L135-F238 HydrophobicContact CD1-CZ 4.18Å; L135-A273 HydrophobicContact CB-CB 4.31Å; L135-A273 VanDerWaalsContact CD2-CA 3.48Å; L135-A273 HydrophobicContact CD2-CB 3.44Å; L135-A273 VanDerWaalsContact CD2-CB 3.44Å; L135-A273 HydrophobicContact CG-CB 3.75Å
136	C	39.1	Very low	39.1	Very low	8 Å²	8	53 Å²	53	5%	0.054	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-2.2	178.3	-69.4	0	0	0	0	114.3	M133 P134 D138 I139 V140 C210	M133-C136 HydrophobicContact CB-CB 4.33Å; M133-C136 CarbonylContact O-C 3.52Å; M133-C136 WeakPolarHBondContact O-CA 3.47Å; M133-C136 PolarHBondContact O-N 2.8Å; P134-C136 PolarHBondContact O-N 2.93Å; C136-D138 PolarHBondContact O-N 3.48Å; C136-I139 HydrophobicContact CB-CD1 4.48Å; C136-I139 WeakPolarHBondContact O-CA 3.03Å; C136-I139 WeakPolarHBondContact O-CB 3.42Å; C136-I139 PolarHBondContact O-N 3.37Å; C136-V140 PolarHBondContact O-N 2.89Å; C136-V140 VanDerWaalsContact O-N 3.12Å; C136-C210 PolarHBondContact SG-SG 2.86Å
137	A	38.3	Very low	39.4	Very low	25 Å²	25	57.7 Å²	57.7	21%	0.207	29%	0.293	C	S	.	.	H	α-helix	trans	-56.8	-29.2	-174.7	0	0	0	0	0	113.8	M133	M133-A137 PolarHBondContact O-N 3.09Å
138	D	40.1	Very low	40	Very low	98 Å²	98	64.5 Å²	64.5	52%	0.524	33%	0.329	S	S	.	.	H	α-helix	trans	-78.4	-26.2	173.4	-58.8	-36.5	0	0	0	112.8	C136 K141 N142	C136-D138 PolarHBondContact O-N 3.48Å; D138-K141 PolarHBondContact O-N 3.04Å; D138-N142 WeakPolarHBondContact O-CB 3.17Å; D138-N142 PolarHBondContact O-N 2.71Å
139	I	39.5	Very low	40.6	Very low	15 Å²	15	69.7 Å²	69.7	8%	0.077	36%	0.356	C	S	.	.	H	α-helix	trans	-75.7	-38.7	179.8	-58.3	176.2	0	0	0	110.7	C136 K141 N142 W143	C136-I139 HydrophobicContact CB-CD1 4.48Å; C136-I139 WeakPolarHBondContact O-CA 3.03Å; C136-I139 WeakPolarHBondContact O-CB 3.42Å; C136-I139 PolarHBondContact O-N 3.37Å; I139-K141 PolarHBondContact O-N 3.15Å; I139-N142 CarbonylContact O-C 3.4Å; I139-N142 WeakPolarHBondContact O-CA 3.01Å; I139-N142 PolarHBondContact O-N 2.77Å; I139-W143 VanDerWaalsContact O-CD1 3.26Å; I139-W143 PolarHBondContact O-N 2.8Å
140	V	37	Very low	41.1	Very low	46 Å²	46	69.7 Å²	69.7	28%	0.279	36%	0.358	S	S	.	.	H	α-helix	trans	-59.9	-29.5	173.3	179.4	0	0	0	0	111.2	W131 C136	W131-V140 HydrophobicContact CE3-CG1 3.87Å; W131-V140 HydrophobicContact CE3-CG2 4.31Å; W131-V140 HydrophobicContact CZ3-CG1 4.17Å; W131-V140 WeakPolarHBondContact O-CG2 3.42Å; C136-V140 PolarHBondContact O-N 2.89Å; C136-V140 VanDerWaalsContact O-N 3.12Å
141	K	39.3	Very low	41.6	Very low	169 Å²	169	71 Å²	71	74%	0.735	37%	0.372	S	S	*	.	H	α-helix	trans	-80.2	-29.7	171.7	-67.2	-176.8	177.4	-177.8	0	113.3	D138 I139	D138-K141 PolarHBondContact O-N 3.04Å; I139-K141 PolarHBondContact O-N 3.15Å
142	N	37.2	Very low	42.4	Very low	84 Å²	84	70.9 Å²	70.9	45%	0.449	38%	0.384	S	S	.	.			trans	-118.4	57.1	-177.6	-68.8	-21.3	0	0	0	111.8	D138 I139 S144 L145	D138-N142 WeakPolarHBondContact O-CB 3.17Å; D138-N142 PolarHBondContact O-N 2.71Å; I139-N142 CarbonylContact O-C 3.4Å; I139-N142 WeakPolarHBondContact O-CA 3.01Å; I139-N142 PolarHBondContact O-N 2.77Å; N142-S144 PolarHBondContact O-N 3.31Å; N142-L145 HydrophobicContact CB-CD1 4.01Å; N142-L145 HydrophobicContact CB-CG 4.43Å; N142-L145 PolarHBondContact O-N 2.8Å; N142-L145 VanDerWaalsContact O-N 3.07Å
143	W	37.2	Very low	43.1	Very low	145 Å²	145	68.6 Å²	68.6	55%	0.549	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-54.5	-19.2	175.5	-79.8	-12.9	0	0	0	114.3	W131 I139 L145 C146	W131-W143 HydrophobicContact CH2-CH2 4.16Å; W131-W143 AromaticContact CH2-CZ2 3.55Å; W131-W143 HydrophobicContact CH2-CZ2 3.55Å; W131-W143 HydrophobicContact CZ3-CH2 4.24Å; W131-W143 AromaticContact CZ3-CZ2 3.42Å; W131-W143 HydrophobicContact CZ3-CZ2 3.42Å; W131-W143 VanDerWaalsContact CZ3-CZ2 3.42Å; I139-W143 VanDerWaalsContact O-CD1 3.26Å; I139-W143 PolarHBondContact O-N 2.8Å; W143-L145 PolarHBondContact O-N 3.48Å; W143-L145 VanDerWaalsContact O-N 3.12Å; W143-C146 PolarHBondContact O-N 3.02Å
144	S	37.9	Very low	43.6	Very low	110 Å²	110	69.2 Å²	69.2	77%	0.769	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-64.1	-8.4	174.5	64	0	0	0	0	114.9	N142	N142-S144 PolarHBondContact O-N 3.31Å
145	L	37.6	Very low	44.3	Very low	113 Å²	113	72.1 Å²	72.1	59%	0.592	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-94.8	-6.5	177.8	-68.8	171.8	0	0	0	113.7	N142 W143	N142-L145 HydrophobicContact CB-CD1 4.01Å; N142-L145 HydrophobicContact CB-CG 4.43Å; N142-L145 PolarHBondContact O-N 2.8Å; N142-L145 VanDerWaalsContact O-N 3.07Å; W143-L145 PolarHBondContact O-N 3.48Å; W143-L145 VanDerWaalsContact O-N 3.12Å
146	C	43.7	Very low	45.1	Very low	14 Å²	14	75.4 Å²	75.4	10%	0.095	41%	0.411	C	S	.	.	S	Bend	trans	-85.1	140	175.3	-61.1	0	0	0	0	109.6	W143 D150 Y154	W143-C146 PolarHBondContact O-N 3.02Å; C146-D150 HydrophobicContact CB-CB 4.45Å; C146-Y154 HydrophobicContact CB-CD2 4.43Å; C146-Y154 HydrophobicContact CB-CE2 3.89Å; C146-Y154 WeakPolarHBondContact SG-CE2 3.28Å
147	D	49.5	Very low	45.5	Very low	106 Å²	106	75.2 Å²	75.2	57%	0.567	41%	0.409	S	S	*	.			trans	-60.2	149.4	166.2	-67.3	-23.9	0	0	0	109.9	E149 D150 A151 Y209	D147-E149 PolarHBondContact O-N 3.03Å; D147-E149 VanDerWaalsContact O-N 3.14Å; D147-D150 WeakPolarHBondContact O-CA 3.39Å; D147-D150 PolarHBondContact O-N 3.2Å; D147-A151 PolarHBondContact O-N 2.7Å; D147-Y209 PolarHBondContact N-OH 3.34Å
148	D	53.2	Low	46	Very low	147 Å²	147	75.4 Å²	75.4	79%	0.786	41%	0.411	S	S	*	.	H	α-helix	trans	-55.6	-34.5	-175.2	-74.3	-31.2	0	0	0	113	A151 A152	D148-A151 PolarHBondContact O-N 3.33Å; D148-A152 PolarHBondContact O-N 3.08Å
149	E	52.4	Low	46.4	Very low	166 Å²	166	75.1 Å²	75.1	78%	0.776	41%	0.41	S	S	*	.	H	α-helix	trans	-64.2	-45.3	175.4	-70.4	-169.9	167.8	0	0	111.5	D147 A152 V153	D147-E149 PolarHBondContact O-N 3.03Å; D147-E149 VanDerWaalsContact O-N 3.14Å; E149-A152 PolarHBondContact O-N 3.22Å; E149-V153 WeakPolarHBondContact O-CG2 3.31Å; E149-V153 PolarHBondContact O-N 2.85Å; E149-V153 VanDerWaalsContact O-N 3.12Å
150	D	50.3	Low	46.7	Very low	30 Å²	30	75.7 Å²	75.7	16%	0.16	41%	0.412	C	S	.	.	H	α-helix	trans	-67.7	-39.7	176.9	-77.4	-39.8	0	0	0	109.9	C146 D147 A152 V153 Y154 Y209	C146-D150 HydrophobicContact CB-CB 4.45Å; D147-D150 WeakPolarHBondContact O-CA 3.39Å; D147-D150 PolarHBondContact O-N 3.2Å; D150-A152 VanDerWaalsContact C-N 3.31Å; D150-A152 PolarHBondContact O-N 3.09Å; D150-V153 CarbonylContact O-C 3.47Å; D150-V153 PolarHBondContact O-N 3.02Å; D150-V153 VanDerWaalsContact O-N 3.14Å; D150-Y154 HydrophobicContact CB-CD2 4.34Å; D150-Y154 HydrophobicContact CB-CE2 3.68Å; D150-Y154 WeakPolarHBondContact O-CA 3.45Å; D150-Y154 WeakPolarHBondContact O-CD2 3.29Å; D150-Y154 WeakPolarHBondContact O-CE2 3.5Å; D150-Y154 PolarHBondContact O-N 3.23Å; D150-Y209 HydrophobicContact CB-CE2 4.43Å; D150-Y209 WeakPolarHBondContact OD2-CE2 3.23Å
151	A	52.7	Low	47	Very low	42 Å²	42	74.7 Å²	74.7	35%	0.347	41%	0.405	S	S	.	.	H	α-helix	trans	-57.7	-35.5	172.8	0	0	0	0	0	114.2	D147 D148 Y154 S155	D147-A151 PolarHBondContact O-N 2.7Å; D148-A151 PolarHBondContact O-N 3.33Å; A151-Y154 VanDerWaalsContact O-CA 3.25Å; A151-Y154 WeakPolarHBondContact O-CA 3.31Å; A151-S155 PolarHBondContact O-N 3.44Å; A151-S155 VanDerWaalsContact O-N 3.13Å
152	A	54.4	Low	47.1	Very low	61 Å²	61	68.7 Å²	68.7	50%	0.504	39%	0.391	S	S	.	.	H	α-helix	trans	-70.2	-43.3	174	0	0	0	0	0	111.5	D148 E149 D150 S155 E156	D148-A152 PolarHBondContact O-N 3.08Å; E149-A152 PolarHBondContact O-N 3.22Å; D150-A152 VanDerWaalsContact C-N 3.31Å; D150-A152 PolarHBondContact O-N 3.09Å; A152-S155 PolarHBondContact O-N 3.36Å; A152-S155 VanDerWaalsContact O-N 3.14Å; A152-E156 PolarHBondContact O-N 3.1Å
153	V	52.1	Low	47.4	Very low	23 Å²	23	67.8 Å²	67.8	14%	0.139	38%	0.384	C	S	.	.	H	α-helix	trans	-62.5	-46.1	173.8	177.4	0	0	0	0	110.5	Y130 E149 D150 S155 E156 I157 Y202	Y130-V153 PolarHBondContact OH-O 3.07Å; E149-V153 WeakPolarHBondContact O-CG2 3.31Å; E149-V153 PolarHBondContact O-N 2.85Å; E149-V153 VanDerWaalsContact O-N 3.12Å; D150-V153 CarbonylContact O-C 3.47Å; D150-V153 PolarHBondContact O-N 3.02Å; D150-V153 VanDerWaalsContact O-N 3.14Å; V153-S155 PolarHBondContact O-N 3.12Å; V153-E156 PolarHBondContact O-N 3.38Å; V153-I157 HydrophobicContact CG1-CD1 3.74Å; V153-I157 HydrophobicContact CG1-CG1 4.22Å; V153-I157 WeakPolarHBondContact O-CB 3.27Å; V153-I157 WeakPolarHBondContact O-CG1 3.48Å; V153-I157 PolarHBondContact O-N 3.18Å; V153-Y202 HydrophobicContact CG1-CD1 3.82Å; V153-Y202 HydrophobicContact CG1-CE1 3.76Å; V153-Y202 HydrophobicContact CG1-CG 4.24Å; V153-Y202 HydrophobicContact CG2-CE1 4.47Å
154	Y	51.1	Low	47.7	Very low	21 Å²	21	61.4 Å²	61.4	8%	0.082	36%	0.36	C	S	.	.	H	α-helix	trans	-4.3	-84.9	142.5	18.5	-127	0	0	0	114.5	Y130 C146 D150 A151 A158	Y130-Y154 AromaticContact CD1-CD1 3.96Å; Y130-Y154 HydrophobicContact CD1-CD1 3.96Å; Y130-Y154 AromaticContact CD2-CD1 4Å; Y130-Y154 HydrophobicContact CD2-CD1 4Å; Y130-Y154 AromaticContact CD2-CE1 3.99Å; Y130-Y154 HydrophobicContact CD2-CE1 3.99Å; Y130-Y154 AromaticContact CE1-CD1 3.28Å; Y130-Y154 HydrophobicContact CE1-CD1 3.28Å; Y130-Y154 HydrophobicContact CE1-CE1 4.22Å; Y130-Y154 AromaticContact CE1-CG 3.87Å; Y130-Y154 HydrophobicContact CE1-CG 3.87Å; Y130-Y154 AromaticContact CE2-CD1 3.27Å; Y130-Y154 HydrophobicContact CE2-CD1 3.27Å; Y130-Y154 AromaticContact CE2-CE1 3.4Å; Y130-Y154 HydrophobicContact CE2-CE1 3.4Å; Y130-Y154 HydrophobicContact CE2-CG 4.16Å; Y130-Y154 HydrophobicContact CG-CD1 4.3Å; Y130-Y154 AromaticContact CZ-CD1 2.88Å; Y130-Y154 AromaticContact CZ-CE1 3.57Å; Y130-Y154 AromaticContact CZ-CG 3.45Å; Y130-Y154 VanDerWaalsContact CZ-CG 3.45Å; Y130-Y154 WeakPolarHBondContact OH-CA 3.1Å; Y130-Y154 WeakPolarHBondContact OH-CB 3.26Å; Y130-Y154 WeakPolarHBondContact OH-CD1 3.38Å; Y130-Y154 PolarHBondContact OH-N 2.98Å; C146-Y154 HydrophobicContact CB-CD2 4.43Å; C146-Y154 HydrophobicContact CB-CE2 3.89Å; C146-Y154 WeakPolarHBondContact SG-CE2 3.28Å; D150-Y154 HydrophobicContact CB-CD2 4.34Å; D150-Y154 HydrophobicContact CB-CE2 3.68Å; D150-Y154 WeakPolarHBondContact O-CA 3.45Å; D150-Y154 WeakPolarHBondContact O-CD2 3.29Å; D150-Y154 WeakPolarHBondContact O-CE2 3.5Å; D150-Y154 PolarHBondContact O-N 3.23Å; A151-Y154 VanDerWaalsContact O-CA 3.25Å; A151-Y154 WeakPolarHBondContact O-CA 3.31Å; Y154-A158 WeakPolarHBondContact O-CB 3.47Å; Y154-A158 PolarHBondContact O-N 2.73Å
155	S	51.9	Low	47.8	Very low	83 Å²	83	57.5 Å²	57.5	58%	0.58	34%	0.335	S	S	*	.	H	α-helix	trans	-66.5	-37.3	-173.9	-164.9	0	0	0	0	112.7	A151 A152 V153 A158 N159	A151-S155 PolarHBondContact O-N 3.44Å; A151-S155 VanDerWaalsContact O-N 3.13Å; A152-S155 PolarHBondContact O-N 3.36Å; A152-S155 VanDerWaalsContact O-N 3.14Å; V153-S155 PolarHBondContact O-N 3.12Å; S155-A158 WeakPolarHBondContact O-CB 3.38Å; S155-A158 PolarHBondContact O-N 2.93Å; S155-N159 VanDerWaalsContact O-CB 3.29Å; S155-N159 WeakPolarHBondContact O-CB 3.18Å; S155-N159 PolarHBondContact O-N 3.18Å
156	E	52.3	Low	47.9	Very low	78 Å²	78	54 Å²	54	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-66.7	-45.7	-179.5	-166.7	177.1	175.3	0	0	111.6	A152 V153 N159 I160 L199	A152-E156 PolarHBondContact O-N 3.1Å; V153-E156 PolarHBondContact O-N 3.38Å; E156-N159 PolarHBondContact O-N 2.72Å; E156-I160 HydrophobicContact CG-CD1 4.37Å; E156-I160 WeakPolarHBondContact O-CG1 3.39Å; E156-I160 PolarHBondContact O-N 3.39Å; E156-L199 HydrophobicContact CG-CD1 4.4Å
157	I	48.1	Very low	47.7	Very low	3 Å²	3	54.3 Å²	54.3	2%	0.015	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-42.7	175	-69.1	179.4	0	0	0	110.3	Y130 V153 N159 I160 I161 L199 Y202 F203	Y130-I157 HydrophobicContact CD1-CG2 3.84Å; Y130-I157 HydrophobicContact CE1-CB 3.75Å; Y130-I157 HydrophobicContact CE1-CD1 4.49Å; Y130-I157 HydrophobicContact CE1-CG2 3.56Å; Y130-I157 HydrophobicContact CE2-CD1 3.76Å; Y130-I157 HydrophobicContact CE2-CG2 4.38Å; Y130-I157 HydrophobicContact CG-CG2 4.27Å; V153-I157 HydrophobicContact CG1-CD1 3.74Å; V153-I157 HydrophobicContact CG1-CG1 4.22Å; V153-I157 WeakPolarHBondContact O-CB 3.27Å; V153-I157 WeakPolarHBondContact O-CG1 3.48Å; V153-I157 PolarHBondContact O-N 3.18Å; I157-N159 VanDerWaalsContact C-N 3.34Å; I157-N159 PolarHBondContact O-N 3.39Å; I157-I160 PolarHBondContact O-N 3.1Å; I157-I161 HydrophobicContact CG2-CD1 3.54Å; I157-I161 HydrophobicContact CG2-CG1 4.33Å; I157-I161 WeakPolarHBondContact O-CB 3.48Å; I157-I161 WeakPolarHBondContact O-CD1 3.49Å; I157-I161 VanDerWaalsContact O-CG1 3.24Å; I157-I161 WeakPolarHBondContact O-CG1 3.42Å; I157-I161 PolarHBondContact O-N 3Å; I157-L199 HydrophobicContact CG1-CD2 4.32Å; I157-Y202 HydrophobicContact CD1-CG 4.29Å; I157-F203 HydrophobicContact CD1-CE2 4.42Å; I157-F203 HydrophobicContact CG1-CE2 4.17Å; I157-F203 HydrophobicContact CG1-CZ 4.33Å; I157-F203 HydrophobicContact CG2-CZ 4.03Å
158	A	47.7	Very low	47.3	Very low	29 Å²	29	53.3 Å²	53.3	24%	0.24	31%	0.309	C	S	.	.	H	α-helix	trans	-54.5	-48.8	173.5	0	0	0	0	0	112.3	W131 Y154 S155 I161 G162	W131-A158 HydrophobicContact CH2-CB 3.94Å; W131-A158 HydrophobicContact CZ2-CB 3.41Å; W131-A158 VanDerWaalsContact CZ2-CB 3.41Å; Y154-A158 WeakPolarHBondContact O-CB 3.47Å; Y154-A158 PolarHBondContact O-N 2.73Å; S155-A158 WeakPolarHBondContact O-CB 3.38Å; S155-A158 PolarHBondContact O-N 2.93Å; A158-I161 PolarHBondContact O-N 2.96Å; A158-G162 PolarHBondContact O-N 3.34Å
159	N	49	Very low	46.8	Very low	93 Å²	93	47.3 Å²	47.3	50%	0.497	28%	0.276	S	S	.	.	H	α-helix	trans	-64	-44.9	-179.4	-175.4	18.9	0	0	0	110.5	S155 E156 I157 G162 Q163	S155-N159 VanDerWaalsContact O-CB 3.29Å; S155-N159 WeakPolarHBondContact O-CB 3.18Å; S155-N159 PolarHBondContact O-N 3.18Å; E156-N159 PolarHBondContact O-N 2.72Å; I157-N159 VanDerWaalsContact C-N 3.34Å; I157-N159 PolarHBondContact O-N 3.39Å; N159-G162 PolarHBondContact O-N 3.11Å; N159-Q163 WeakPolarHBondContact O-CB 3.29Å; N159-Q163 VanDerWaalsContact O-CG 3.26Å; N159-Q163 WeakPolarHBondContact O-CG 3.47Å; N159-Q163 PolarHBondContact O-N 2.88Å; N159-Q163 PolarHBondContact OD1-NE2 3.12Å
160	I	46.2	Very low	46.3	Very low	26 Å²	26	39.4 Å²	39.4	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-58.1	-52.9	175.1	-72.7	165.7	0	0	0	109.9	E156 I157 G162 Q163 W164 L199 F203	E156-I160 HydrophobicContact CG-CD1 4.37Å; E156-I160 WeakPolarHBondContact O-CG1 3.39Å; E156-I160 PolarHBondContact O-N 3.39Å; I157-I160 PolarHBondContact O-N 3.1Å; I160-G162 VanDerWaalsContact C-N 3.29Å; I160-G162 PolarHBondContact O-N 3.3Å; I160-Q163 CarbonylContact O-C 3.59Å; I160-Q163 WeakPolarHBondContact O-CB 3.42Å; I160-Q163 PolarHBondContact O-N 3.38Å; I160-Q163 VanDerWaalsContact O-N 3.09Å; I160-W164 VanDerWaalsContact CG2-NE1 3.29Å; I160-W164 PolarHBondContact O-N 3.35Å; I160-L199 HydrophobicContact CD1-CD1 3.04Å; I160-F203 HydrophobicContact CG2-CZ 4.39Å
161	I	43.6	Very low	45.8	Very low	26 Å²	26	39.3 Å²	39.3	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-56.3	-43.3	176.9	-66.7	158.3	0	0	0	111	I157 A158 W164 A165	I157-I161 HydrophobicContact CG2-CD1 3.54Å; I157-I161 HydrophobicContact CG2-CG1 4.33Å; I157-I161 WeakPolarHBondContact O-CB 3.48Å; I157-I161 WeakPolarHBondContact O-CD1 3.49Å; I157-I161 VanDerWaalsContact O-CG1 3.24Å; I157-I161 WeakPolarHBondContact O-CG1 3.42Å; I157-I161 PolarHBondContact O-N 3Å; A158-I161 PolarHBondContact O-N 2.96Å; I161-W164 CarbonylContact O-C 3.5Å; I161-W164 WeakPolarHBondContact O-CB 3.28Å; I161-W164 PolarHBondContact O-N 2.75Å; I161-A165 WeakPolarHBondContact O-CB 3.22Å; I161-A165 PolarHBondContact O-N 3.18Å
162	G	40.9	Very low	45.3	Very low	42 Å²	42	38.6 Å²	38.6	43%	0.433	23%	0.23	S	C	.	.	H	α-helix	trans	-62.8	-40.3	176.5	0	0	0	0	0	112.7	A158 N159 I160 W164 A165 S166	A158-G162 PolarHBondContact O-N 3.34Å; N159-G162 PolarHBondContact O-N 3.11Å; I160-G162 VanDerWaalsContact C-N 3.29Å; I160-G162 PolarHBondContact O-N 3.3Å; G162-W164 VanDerWaalsContact C-N 3.34Å; G162-A165 PolarHBondContact O-N 3.35Å; G162-S166 PolarHBondContact O-N 2.89Å
163	Q	44.6	Very low	44.6	Very low	66 Å²	66	37.3 Å²	37.3	31%	0.308	21%	0.214	S	C	.	.	H	α-helix	trans	-66.3	-35.1	173.4	-69.8	-178.7	24.5	0	0	112.3	N159 I160 S166 L193	N159-Q163 WeakPolarHBondContact O-CB 3.29Å; N159-Q163 VanDerWaalsContact O-CG 3.26Å; N159-Q163 WeakPolarHBondContact O-CG 3.47Å; N159-Q163 PolarHBondContact O-N 2.88Å; N159-Q163 PolarHBondContact OD1-NE2 3.12Å; I160-Q163 CarbonylContact O-C 3.59Å; I160-Q163 WeakPolarHBondContact O-CB 3.42Å; I160-Q163 PolarHBondContact O-N 3.38Å; I160-Q163 VanDerWaalsContact O-N 3.09Å; Q163-S166 WeakPolarHBondContact O-CB 3.49Å; Q163-S166 PolarHBondContact O-N 3.08Å; Q163-L193 HydrophobicContact CB-CD2 3.94Å
164	W	42.9	Very low	44.1	Very low	10 Å²	10	37.5 Å²	37.5	4%	0.038	22%	0.219	C	C	.	.	H	α-helix	trans	-72.7	-30.2	171.4	-72.5	107.4	0	0	0	112.8	V116 E119 M120 A123 I160 I161 G162 S166 V170 L173 L193	V116-W164 HydrophobicContact CG1-CH2 4.48Å; V116-W164 HydrophobicContact CG1-CZ3 4.1Å; E119-W164 HydrophobicContact CB-CH2 3.66Å; E119-W164 HydrophobicContact CB-CZ2 3.91Å; M120-W164 HydrophobicContact CB-CE3 4.36Å; M120-W164 HydrophobicContact CB-CZ3 4.21Å; M120-W164 HydrophobicContact CE-CE3 4.35Å; M120-W164 HydrophobicContact CG-CD2 4.31Å; M120-W164 HydrophobicContact CG-CE3 3.24Å; M120-W164 HydrophobicContact CG-CH2 3.9Å; M120-W164 HydrophobicContact CG-CZ3 3Å; M120-W164 HydrophobicContact SD-CE3 4.15Å; M120-W164 HydrophobicContact SD-CZ3 3.96Å; A123-W164 HydrophobicContact CB-CG 4.33Å; I160-W164 VanDerWaalsContact CG2-NE1 3.29Å; I160-W164 PolarHBondContact O-N 3.35Å; I161-W164 CarbonylContact O-C 3.5Å; I161-W164 WeakPolarHBondContact O-CB 3.28Å; I161-W164 PolarHBondContact O-N 2.75Å; G162-W164 VanDerWaalsContact C-N 3.34Å; W164-S166 PolarHBondContact O-N 3.44Å; W164-V170 WeakPolarHBondContact O-CG2 3.31Å; W164-L173 HydrophobicContact CE3-CD1 4.27Å; W164-L173 HydrophobicContact CZ3-CD1 3.87Å; W164-L193 HydrophobicContact CD2-CD1 4.37Å; W164-L193 HydrophobicContact CD2-CD2 4.18Å; W164-L193 HydrophobicContact CE3-CD1 4.29Å; W164-L193 HydrophobicContact CG-CD2 4.24Å; W164-L193 HydrophobicContact CH2-CB 4.28Å; W164-L193 HydrophobicContact CZ2-CB 4.08Å; W164-L193 WeakPolarHBondContact CZ2-O 3.5Å
165	A	38.9	Very low	43.4	Very low	29 Å²	29	38.3 Å²	38.3	24%	0.24	23%	0.233	C	C	.	.	H	α-helix	trans	-73.9	-14.4	172.6	0	0	0	0	0	111.7	A65 I161 G162 T167	A65-A165 WeakPolarHBondContact CB-O 3.39Å; I161-A165 WeakPolarHBondContact O-CB 3.22Å; I161-A165 PolarHBondContact O-N 3.18Å; G162-A165 PolarHBondContact O-N 3.35Å; A165-T167 PolarHBondContact O-N 3.48Å
166	S	40.6	Very low	42.6	Very low	40 Å²	40	36.7 Å²	36.7	28%	0.28	22%	0.218	S	C	.	.			trans	-67.8	97	169.8	-173.7	0	0	0	0	110.6	G162 Q163 W164 R168 K169 V170	G162-S166 PolarHBondContact O-N 2.89Å; Q163-S166 WeakPolarHBondContact O-CB 3.49Å; Q163-S166 PolarHBondContact O-N 3.08Å; W164-S166 PolarHBondContact O-N 3.44Å; S166-R168 PolarHBondContact O-N 2.69Å; S166-K169 PolarHBondContact O-N 3.39Å; S166-V170 WeakPolarHBondContact O-CG2 3.5Å; S166-V170 PolarHBondContact O-N 3.08Å; S166-V170 VanDerWaalsContact O-N 3.09Å
167	T	40.2	Very low	41.6	Very low	19 Å²	19	40 Å²	40	12%	0.117	23%	0.231	C	C	.	.	H	α-helix	trans	-19.2	-52.1	158.7	-48.3	0	0	0	0	114.6	Y64 A65 A68 A165 V170 L171	Y64-T167 VanDerWaalsContact CA-OG1 3.29Å; Y64-T167 WeakPolarHBondContact CA-OG1 3.19Å; Y64-T167 WeakPolarHBondContact CB-OG1 3.05Å; Y64-T167 VanDerWaalsContact O-CG2 3.23Å; Y64-T167 WeakPolarHBondContact O-CG2 3.42Å; Y64-T167 PolarHBondContact O-OG1 3.49Å; A65-T167 WeakPolarHBondContact CA-OG1 3.34Å; A65-T167 PolarHBondContact N-OG1 2.83Å; A68-T167 HydrophobicContact CB-CG2 3.73Å; A68-T167 WeakPolarHBondContact CB-O 3.35Å; A165-T167 PolarHBondContact O-N 3.48Å; T167-V170 PolarHBondContact O-N 3.26Å; T167-L171 HydrophobicContact CG2-CD1 4.1Å; T167-L171 VanDerWaalsContact O-CG 3.23Å; T167-L171 WeakPolarHBondContact O-CG 3.2Å; T167-L171 PolarHBondContact O-N 2.74Å
168	R	39.2	Very low	40.8	Very low	86 Å²	86	43.3 Å²	43.3	33%	0.325	27%	0.266	S	S	.	.	H	α-helix	trans	-71.6	-41.1	-169.6	-162.4	173.7	-171	158.3	1.6	110.4	S166 T172 I180 V185 F186	S166-R168 PolarHBondContact O-N 2.69Å; R168-T172 PolarHBondContact O-N 3.41Å; R168-T172 VanDerWaalsContact O-N 3.13Å; R168-T172 PolarHBondContact O-OG1 3.07Å; R168-I180 HydrophobicContact CG-CD1 3.97Å; R168-I180 HydrophobicContact CG-CG2 4.43Å; R168-V185 VanDerWaalsContact CZ-CG2 3.42Å; R168-V185 VanDerWaalsContact NH2-CG2 3.32Å; R168-F186 HydrophobicContact CB-CZ 4.4Å; R168-F186 HydrophobicContact CG-CE2 4.22Å; R168-F186 HydrophobicContact CG-CZ 4.46Å
169	K	43.6	Very low	40.2	Very low	21 Å²	21	48.4 Å²	48.4	9%	0.091	29%	0.288	C	S	.	.	H	α-helix	trans	-71	-37.6	178.2	-152.5	165.7	178.6	-176.8	0	111.2	S166 T172 L173 F186 L193	S166-K169 PolarHBondContact O-N 3.39Å; K169-T172 PolarHBondContact O-N 3.42Å; K169-L173 WeakPolarHBondContact O-CB 3.19Å; K169-L173 WeakPolarHBondContact O-CG 3.23Å; K169-L173 PolarHBondContact O-N 3.42Å; K169-F186 HydrophobicContact CB-CZ 4.44Å; K169-L193 HydrophobicContact CB-CD1 4.46Å; K169-L193 HydrophobicContact CD-CD1 3.5Å; K169-L193 HydrophobicContact CD-CG 4.16Å; K169-L193 HydrophobicContact CG-CD1 3.58Å
170	V	42.2	Very low	39.2	Very low	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-47.6	174.3	170.3	0	0	0	0	112.4	A68 I72 M120 W164 S166 T167 L173 A174	A68-V170 HydrophobicContact CB-CB 4.26Å; A68-V170 HydrophobicContact CB-CG1 3.9Å; I72-V170 HydrophobicContact CD1-CB 4.37Å; I72-V170 HydrophobicContact CD1-CG1 3.1Å; I72-V170 WeakPolarHBondContact CD1-O 3.15Å; I72-V170 HydrophobicContact CG1-CG1 4.47Å; M120-V170 HydrophobicContact CE-CB 4.08Å; M120-V170 HydrophobicContact CE-CG1 3.47Å; M120-V170 VanDerWaalsContact CE-CG1 3.47Å; M120-V170 HydrophobicContact CE-CG2 3.51Å; M120-V170 HydrophobicContact SD-CG1 4.37Å; W164-V170 WeakPolarHBondContact O-CG2 3.31Å; S166-V170 WeakPolarHBondContact O-CG2 3.5Å; S166-V170 PolarHBondContact O-N 3.08Å; S166-V170 VanDerWaalsContact O-N 3.09Å; T167-V170 PolarHBondContact O-N 3.26Å; V170-L173 PolarHBondContact O-N 3.47Å; V170-A174 WeakPolarHBondContact O-CB 3.36Å; V170-A174 PolarHBondContact O-N 3.26Å
171	L	39.4	Very low	38.4	Very low	28 Å²	28	52.2 Å²	52.2	15%	0.147	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-40.8	175.8	-70.2	171.9	0	0	0	112.4	A68 V71 T167 I176 I180	A68-L171 HydrophobicContact CB-CD1 4.29Å; A68-L171 HydrophobicContact CB-CD2 3.94Å; A68-L171 HydrophobicContact CB-CG 3.73Å; V71-L171 HydrophobicContact CB-CD2 4.11Å; V71-L171 HydrophobicContact CG1-CD2 3.82Å; T167-L171 HydrophobicContact CG2-CD1 4.1Å; T167-L171 VanDerWaalsContact O-CG 3.23Å; T167-L171 WeakPolarHBondContact O-CG 3.2Å; T167-L171 PolarHBondContact O-N 2.74Å; L171-I176 HydrophobicContact CD2-CD1 3.63Å; L171-I176 PolarHBondContact O-N 2.98Å; L171-I180 HydrophobicContact CD1-CD1 4.4Å
172	T	41.7	Very low	37.7	Very low	27 Å²	27	54 Å²	54	17%	0.166	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-46.8	175.3	-60.6	0	0	0	0	111.3	R168 K169 A174 G175 E182 P190	R168-T172 PolarHBondContact O-N 3.41Å; R168-T172 VanDerWaalsContact O-N 3.13Å; R168-T172 PolarHBondContact O-OG1 3.07Å; K169-T172 PolarHBondContact O-N 3.42Å; T172-A174 PolarHBondContact O-N 2.81Å; T172-G175 PolarHBondContact O-N 3.1Å; T172-G175 VanDerWaalsContact O-N 3.12Å; T172-E182 HydrophobicContact CG2-CG 3.9Å; T172-P190 HydrophobicContact CG2-CG 4.23Å
173	L	40.5	Very low	37.2	Very low	33 Å²	33	61.7 Å²	61.7	17%	0.173	33%	0.326	C	S	.	.	H	α-helix	trans	-63.4	-36.7	178.8	-83.6	173.5	0	0	0	113.8	V116 W164 K169 V170 G175 P190 L193	V116-L173 HydrophobicContact CG1-CB 4.14Å; V116-L173 HydrophobicContact CG1-CD1 4.25Å; W164-L173 HydrophobicContact CE3-CD1 4.27Å; W164-L173 HydrophobicContact CZ3-CD1 3.87Å; K169-L173 WeakPolarHBondContact O-CB 3.19Å; K169-L173 WeakPolarHBondContact O-CG 3.23Å; K169-L173 PolarHBondContact O-N 3.42Å; V170-L173 PolarHBondContact O-N 3.47Å; L173-G175 PolarHBondContact O-N 3.47Å; L173-P190 HydrophobicContact CD2-CB 3.63Å; L173-P190 VanDerWaalsContact CD2-O 3.27Å; L173-P190 WeakPolarHBondContact CD2-O 3.43Å; L173-P190 HydrophobicContact CG-CB 4.47Å; L173-L193 HydrophobicContact CD1-CB 4.21Å; L173-L193 HydrophobicContact CD1-CD1 3.31Å; L173-L193 HydrophobicContact CD1-CG 4.41Å; L173-L193 HydrophobicContact CG-CD1 4.33Å
174	A	41	Very low	36.3	Very low	28 Å²	28	64.5 Å²	64.5	23%	0.231	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-2.3	176.4	0	0	0	0	0	113.7	I72 V170 T172 I176	I72-A174 HydrophobicContact CD1-CB 3.53Å; I72-A174 HydrophobicContact CG1-CB 3.53Å; I72-A174 HydrophobicContact CG2-CB 4.47Å; V170-A174 WeakPolarHBondContact O-CB 3.36Å; V170-A174 PolarHBondContact O-N 3.26Å; T172-A174 PolarHBondContact O-N 2.81Å; A174-I176 VanDerWaalsContact C-N 3.27Å; A174-I176 HydrophobicContact CB-CD1 4.26Å; A174-I176 HydrophobicContact CB-CG1 4.2Å; A174-I176 PolarHBondContact O-N 3.38Å
175	G	36.2	Very low	35.8	Very low	38 Å²	38	67.3 Å²	67.3	39%	0.392	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	25	-179.9	0	0	0	0	0	112.7	T172 L173 K177	T172-G175 PolarHBondContact O-N 3.1Å; T172-G175 VanDerWaalsContact O-N 3.12Å; L173-G175 PolarHBondContact O-N 3.47Å; G175-K177 PolarHBondContact O-N 3.38Å
176	I	35.8	Very low	35.2	Very low	48 Å²	48	69.8 Å²	69.8	25%	0.246	37%	0.367	C	S	.	.			trans	-76.6	66	169.6	-55	170.5	0	0	0	107.4	V71 I72 L171 A174 G178 I179	V71-I176 HydrophobicContact CG1-CD1 3.76Å; I72-I176 HydrophobicContact CG1-CD1 4.12Å; L171-I176 HydrophobicContact CD2-CD1 3.63Å; L171-I176 PolarHBondContact O-N 2.98Å; A174-I176 VanDerWaalsContact C-N 3.27Å; A174-I176 HydrophobicContact CB-CD1 4.26Å; A174-I176 HydrophobicContact CB-CG1 4.2Å; A174-I176 PolarHBondContact O-N 3.38Å; I176-G178 PolarHBondContact O-N 2.93Å; I176-I179 HydrophobicContact CG2-CD1 3.99Å; I176-I179 HydrophobicContact CG2-CG1 4.28Å
177	K	32.3	Very low	35.1	Very low	148 Å²	148	77.5 Å²	77.5	64%	0.643	40%	0.398	S	S	*	.	B	Isolated β-bridge	trans	-76	107.8	175.9	-68.7	-167.3	178.7	-134.8	0	107.8	G175 E182	G175-K177 PolarHBondContact O-N 3.38Å; K177-E182 WeakPolarHBondContact CE-OE1 3.18Å; K177-E182 IonicContact NZ-OE1 2.75Å; K177-E182 PolarHBondContact NZ-OE1 2.97Å; K177-E182 IonicContact NZ-OE2 3.94Å; K177-E182 PolarHBondContact NZ-OE2 3.22Å
178	G	30.4	Very low	34.7	Very low	73 Å²	73	80.9 Å²	80.9	75%	0.753	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	152.5	-26.2	174	0	0	0	0	0	115.3	I176	I176-G178 PolarHBondContact O-N 2.93Å
179	I	34.2	Very low	34.5	Very low	135 Å²	135	79 Å²	79	69%	0.692	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-31.3	179.6	-57.9	179.3	0	0	0	111.3	I176	I176-I179 HydrophobicContact CG2-CD1 3.99Å; I176-I179 HydrophobicContact CG2-CG1 4.28Å
180	I	27.9	Very low	34.2	Very low	55 Å²	55	80.6 Å²	80.6	28%	0.282	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-136.5	128.3	-179.4	-52.1	-178.4	0	0	0	107.9	R168 L171	R168-I180 HydrophobicContact CG-CD1 3.97Å; R168-I180 HydrophobicContact CG-CG2 4.43Å; L171-I180 HydrophobicContact CD1-CD1 4.4Å
181	K	30.8	Very low	33.8	Very low	144 Å²	144	87.6 Å²	87.6	63%	0.626	46%	0.461	S	S	*	.			trans	-73.3	131.7	176.4	-71.9	-176.7	177.8	-179.3	0	110	Y183	K181-Y183 VanDerWaalsContact C-N 3.27Å; K181-Y183 PolarHBondContact O-N 3.21Å
182	E	28.2	Very low	33.7	Very low	64 Å²	64	91.3 Å²	91.3	30%	0.299	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.6	-175.2	-89	172	148.7	0	0	114.2	T172 K177	T172-E182 HydrophobicContact CG2-CG 3.9Å; K177-E182 WeakPolarHBondContact CE-OE1 3.18Å; K177-E182 IonicContact NZ-OE1 2.75Å; K177-E182 PolarHBondContact NZ-OE1 2.97Å; K177-E182 IonicContact NZ-OE2 3.94Å; K177-E182 PolarHBondContact NZ-OE2 3.22Å
183	Y	29.7	Very low	33.4	Very low	203 Å²	203	90.3 Å²	90.3	80%	0.796	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-13.6	-165.8	-58.8	-77.8	0	0	0	115.7	K181	K181-Y183 VanDerWaalsContact C-N 3.27Å; K181-Y183 PolarHBondContact O-N 3.21Å
184	D	26.8	Very low	33.5	Very low	126 Å²	126	95.1 Å²	95.1	67%	0.674	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-6.5	-168.5	-71.1	-32.4	0	0	0	114.3
185	V	32.6	Very low	33.6	Very low	68 Å²	68	94.3 Å²	94.3	41%	0.412	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142	-13.3	-168.2	-176.8	0	0	0	0	116.8	R168	R168-V185 VanDerWaalsContact CZ-CG2 3.42Å; R168-V185 VanDerWaalsContact NH2-CG2 3.32Å
186	F	26.8	Very low	34.1	Very low	81 Å²	81	95.6 Å²	95.6	36%	0.355	48%	0.483	S	S	.	.			trans	-132.4	126.9	-177.7	-58.6	-70.5	0	0	0	111.7	R168 K169	R168-F186 HydrophobicContact CB-CZ 4.4Å; R168-F186 HydrophobicContact CG-CE2 4.22Å; R168-F186 HydrophobicContact CG-CZ 4.46Å; K169-F186 HydrophobicContact CB-CZ 4.44Å
187	E	37.3	Very low	34.7	Very low	202 Å²	202	99.4 Å²	99.4	94%	0.944	50%	0.504	S	S	*	.	S	Bend	trans	-72.5	-22.4	169.3	-67	-173.5	165.3	0	0	111.7
188	D	32.3	Very low	35.4	Very low	90 Å²	90	99.7 Å²	99.7	48%	0.481	51%	0.505	S	S	.	.	S	Bend	trans	-107.8	136.9	-172.5	-77.8	-41.4	0	0	0	113.9	Q192	D188-Q192 PolarHBondContact OD1-NE2 3.44Å; D188-Q192 PolarHBondContact OD1-OE1 2.78Å; D188-Q192 PolarHBondContact OD2-OE1 3.24Å
189	S	35	Very low	36.2	Very low	46 Å²	46	96.3 Å²	96.3	32%	0.322	47%	0.47	S	S	.	.			trans	-74.4	154.8	-173.3	79.9	0	0	0	0	113.3	Q191 Q192	S189-Q191 PolarHBondContact O-N 3.08Å; S189-Q191 PolarHBondContact OG-OE1 2.72Å; S189-Q192 PolarHBondContact O-N 2.74Å
190	P	37.6	Very low	37	Very low	55 Å²	55	94.2 Å²	94.2	36%	0.357	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-54.4	-19.6	176.8	-23.6	31.4	0	0	0	114.6	T172 L173 Q192	T172-P190 HydrophobicContact CG2-CG 4.23Å; L173-P190 HydrophobicContact CD2-CB 3.63Å; L173-P190 VanDerWaalsContact CD2-O 3.27Å; L173-P190 WeakPolarHBondContact CD2-O 3.43Å; L173-P190 HydrophobicContact CG-CB 4.47Å; P190-Q192 PolarHBondContact O-N 3.31Å
191	Q	32.6	Very low	38.1	Very low	148 Å²	148	94 Å²	94	69%	0.692	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-71.1	-15.6	179.5	-67.1	133.8	-8.4	0	0	113.5	S189	S189-Q191 PolarHBondContact O-N 3.08Å; S189-Q191 PolarHBondContact OG-OE1 2.72Å
192	Q	37.4	Very low	38.9	Very low	106 Å²	106	91.8 Å²	91.8	50%	0.495	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-84.1	-9.4	-175.2	-67.1	-173.9	4.9	0	0	115	D188 S189 P190 K194	D188-Q192 PolarHBondContact OD1-NE2 3.44Å; D188-Q192 PolarHBondContact OD1-OE1 2.78Å; D188-Q192 PolarHBondContact OD2-OE1 3.24Å; S189-Q192 PolarHBondContact O-N 2.74Å; P190-Q192 PolarHBondContact O-N 3.31Å; Q192-K194 VanDerWaalsContact C-N 3.26Å; Q192-K194 PolarHBondContact O-N 2.86Å
193	L	37.1	Very low	39.7	Very low	5 Å²	5	89 Å²	89	3%	0.026	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-80	-3.6	177.3	-89.8	175	0	0	0	114.5	Q163 W164 K169 L173 I195	Q163-L193 HydrophobicContact CB-CD2 3.94Å; W164-L193 HydrophobicContact CD2-CD1 4.37Å; W164-L193 HydrophobicContact CD2-CD2 4.18Å; W164-L193 HydrophobicContact CE3-CD1 4.29Å; W164-L193 HydrophobicContact CG-CD2 4.24Å; W164-L193 HydrophobicContact CH2-CB 4.28Å; W164-L193 HydrophobicContact CZ2-CB 4.08Å; W164-L193 WeakPolarHBondContact CZ2-O 3.5Å; K169-L193 HydrophobicContact CB-CD1 4.46Å; K169-L193 HydrophobicContact CD-CD1 3.5Å; K169-L193 HydrophobicContact CD-CG 4.16Å; K169-L193 HydrophobicContact CG-CD1 3.58Å; L173-L193 HydrophobicContact CD1-CB 4.21Å; L173-L193 HydrophobicContact CD1-CD1 3.31Å; L173-L193 HydrophobicContact CD1-CG 4.41Å; L173-L193 HydrophobicContact CG-CD1 4.33Å; L193-I195 PolarHBondContact O-N 3.01Å
194	K	41.3	Very low	40.4	Very low	135 Å²	135	81.1 Å²	81.1	59%	0.587	41%	0.411	S	S	*	.	S	Bend	trans	-53.1	130.9	172.3	-71	-175.4	179.4	-179.3	0	108.8	Q192 T196	Q192-K194 VanDerWaalsContact C-N 3.26Å; Q192-K194 PolarHBondContact O-N 2.86Å; K194-T196 PolarHBondContact O-N 3.32Å
195	I	42.6	Very low	41.3	Very low	10 Å²	10	80.4 Å²	80.4	5%	0.051	40%	0.403	C	S	.	.			trans	-54.3	112	163	-59.9	168.6	0	0	0	105.2	V122 L193 L199 K200 F203	V122-I195 HydrophobicContact CG1-CD1 3.95Å; L193-I195 PolarHBondContact O-N 3.01Å; I195-L199 HydrophobicContact CG2-CB 3.75Å; I195-K200 HydrophobicContact CB-CG 4.24Å; I195-K200 HydrophobicContact CG2-CB 4.33Å; I195-K200 HydrophobicContact CG2-CG 3.74Å; I195-F203 HydrophobicContact CD1-CB 4.11Å; I195-F203 HydrophobicContact CD1-CD1 3.71Å; I195-F203 HydrophobicContact CD1-CD2 4.07Å; I195-F203 HydrophobicContact CD1-CE1 4.19Å; I195-F203 HydrophobicContact CD1-CE2 4.48Å; I195-F203 HydrophobicContact CD1-CG 3.7Å; I195-F203 HydrophobicContact CG1-CD1 4.45Å; I195-F203 HydrophobicContact CG1-CD2 4.29Å; I195-F203 HydrophobicContact CG1-CE2 4.32Å; I195-F203 HydrophobicContact CG1-CG 4.39Å; I195-F203 HydrophobicContact CG1-CZ 4.47Å; I195-F203 HydrophobicContact CG2-CD2 3.49Å; I195-F203 VanDerWaalsContact CG2-CD2 3.49Å; I195-F203 HydrophobicContact CG2-CE2 3.83Å; I195-F203 HydrophobicContact CG2-CG 4.16Å
196	T	46.8	Very low	41.8	Very low	66 Å²	66	78.5 Å²	78.5	41%	0.405	39%	0.393	S	S	.	.			trans	-57.2	148.7	179.8	60.8	0	0	0	0	108	K194 K198 L199 K200	K194-T196 PolarHBondContact O-N 3.32Å; T196-K198 PolarHBondContact O-N 3.38Å; T196-L199 WeakPolarHBondContact O-CA 3.48Å; T196-L199 PolarHBondContact O-N 3.26Å; T196-L199 WeakPolarHBondContact OG1-CG 3.03Å; T196-L199 PolarHBondContact OG1-N 2.77Å; T196-K200 PolarHBondContact O-N 3.29Å
197	D	49.1	Very low	42.7	Very low	128 Å²	128	75.2 Å²	75.2	68%	0.684	38%	0.379	S	S	*	.	H	α-helix	trans	-55.2	-29.4	177.7	-69.8	-34.3	0	0	0	111.7	L199 K200	D197-L199 PolarHBondContact O-N 3.23Å; D197-K200 PolarHBondContact O-N 3.11Å; D197-K200 WeakPolarHBondContact OD1-CD 3.28Å; D197-K200 VanDerWaalsContact OD1-CE 3.31Å; D197-K200 WeakPolarHBondContact OD1-CE 3.5Å; D197-K200 IonicContact OD1-NZ 3.32Å; D197-K200 PolarHBondContact OD1-NZ 3.28Å
198	K	46.3	Very low	43.1	Very low	154 Å²	154	68.5 Å²	68.5	67%	0.67	36%	0.355	S	S	*	.	H	α-helix	trans	-58.9	-42.2	171.5	-171	-173.6	177.5	-162.4	0	112.7	T196	T196-K198 PolarHBondContact O-N 3.38Å
199	L	48	Very low	43.6	Very low	2 Å²	2	66.7 Å²	66.7	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-86.6	-23	-178.2	-69.8	175.3	0	0	0	113.4	E156 I157 I160 I195 T196 D197 A201 Y202 F203	E156-L199 HydrophobicContact CG-CD1 4.4Å; I157-L199 HydrophobicContact CG1-CD2 4.32Å; I160-L199 HydrophobicContact CD1-CD1 3.04Å; I195-L199 HydrophobicContact CG2-CB 3.75Å; T196-L199 WeakPolarHBondContact O-CA 3.48Å; T196-L199 PolarHBondContact O-N 3.26Å; T196-L199 WeakPolarHBondContact OG1-CG 3.03Å; T196-L199 PolarHBondContact OG1-N 2.77Å; D197-L199 PolarHBondContact O-N 3.23Å; L199-A201 PolarHBondContact O-N 3.07Å; L199-A201 VanDerWaalsContact O-N 3.08Å; L199-Y202 HydrophobicContact CD2-CD2 4.29Å; L199-Y202 WeakPolarHBondContact O-CA 3.33Å; L199-Y202 WeakPolarHBondContact O-CB 3.37Å; L199-Y202 PolarHBondContact O-N 2.91Å; L199-F203 HydrophobicContact CB-CD2 4.27Å; L199-F203 HydrophobicContact CB-CE2 4.04Å; L199-F203 WeakPolarHBondContact O-CD2 3.35Å; L199-F203 PolarHBondContact O-N 2.73Å
200	K	51.3	Low	44.2	Very low	91 Å²	91	64.5 Å²	64.5	40%	0.396	33%	0.326	S	S	.	.	H	α-helix	trans	-49.9	-41.7	-176	-82.1	-177.2	-176.4	163.2	0	113.4	I195 T196 D197 Y202 F203 C204	I195-K200 HydrophobicContact CB-CG 4.24Å; I195-K200 HydrophobicContact CG2-CB 4.33Å; I195-K200 HydrophobicContact CG2-CG 3.74Å; T196-K200 PolarHBondContact O-N 3.29Å; D197-K200 PolarHBondContact O-N 3.11Å; D197-K200 WeakPolarHBondContact OD1-CD 3.28Å; D197-K200 VanDerWaalsContact OD1-CE 3.31Å; D197-K200 WeakPolarHBondContact OD1-CE 3.5Å; D197-K200 IonicContact OD1-NZ 3.32Å; D197-K200 PolarHBondContact OD1-NZ 3.28Å; K200-Y202 PolarHBondContact O-N 3.02Å; K200-F203 PolarHBondContact O-N 2.68Å; K200-F203 VanDerWaalsContact O-N 3.1Å; K200-C204 WeakPolarHBondContact O-CB 3.5Å; K200-C204 PolarHBondContact O-N 3.42Å; K200-C204 PolarHBondContact O-SG 2.74Å; K200-C204 VanDerWaalsContact O-SG 3.42Å
201	A	50.2	Low	44.7	Very low	50 Å²	50	64.5 Å²	64.5	41%	0.413	33%	0.327	S	S	.	.	H	α-helix	trans	-57.7	-35.6	177.6	0	0	0	0	0	112.7	L199 C204 H205	L199-A201 PolarHBondContact O-N 3.07Å; L199-A201 VanDerWaalsContact O-N 3.08Å; A201-C204 PolarHBondContact O-N 3.46Å; A201-H205 WeakPolarHBondContact O-CA 3.11Å; A201-H205 WeakPolarHBondContact O-CB 3.46Å; A201-H205 PolarHBondContact O-CD2 3.15Å; A201-H205 VanDerWaalsContact O-CD2 3.26Å; A201-H205 PolarHBondContact O-N 3.08Å
202	Y	47.2	Very low	45.5	Very low	97 Å²	97	61.9 Å²	61.9	38%	0.38	32%	0.318	S	S	.	.	H	α-helix	trans	-75.1	-24.8	178.6	-60.8	-91	0	0	0	113.4	V153 I157 L199 K200 H205	V153-Y202 HydrophobicContact CG1-CD1 3.82Å; V153-Y202 HydrophobicContact CG1-CE1 3.76Å; V153-Y202 HydrophobicContact CG1-CG 4.24Å; V153-Y202 HydrophobicContact CG2-CE1 4.47Å; I157-Y202 HydrophobicContact CD1-CG 4.29Å; L199-Y202 HydrophobicContact CD2-CD2 4.29Å; L199-Y202 WeakPolarHBondContact O-CA 3.33Å; L199-Y202 WeakPolarHBondContact O-CB 3.37Å; L199-Y202 PolarHBondContact O-N 2.91Å; K200-Y202 PolarHBondContact O-N 3.02Å; Y202-H205 VanDerWaalsContact O-O 3.12Å
203	F	46.1	Very low	46.2	Very low	6 Å²	6	60.1 Å²	60.1	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-86.9	-25.9	172.8	-71	-98.4	0	0	0	112.1	V122 A123 A126 I157 I160 I195 L199 K200	V122-F203 HydrophobicContact CG1-CB 4.04Å; V122-F203 HydrophobicContact CG1-CD1 4.29Å; A123-F203 HydrophobicContact CB-CE1 4.19Å; A126-F203 HydrophobicContact CB-CB 4.23Å; A126-F203 HydrophobicContact CB-CD1 3.08Å; A126-F203 HydrophobicContact CB-CE1 3.6Å; A126-F203 HydrophobicContact CB-CG 3.93Å; I157-F203 HydrophobicContact CD1-CE2 4.42Å; I157-F203 HydrophobicContact CG1-CE2 4.17Å; I157-F203 HydrophobicContact CG1-CZ 4.33Å; I157-F203 HydrophobicContact CG2-CZ 4.03Å; I160-F203 HydrophobicContact CG2-CZ 4.39Å; I195-F203 HydrophobicContact CD1-CB 4.11Å; I195-F203 HydrophobicContact CD1-CD1 3.71Å; I195-F203 HydrophobicContact CD1-CD2 4.07Å; I195-F203 HydrophobicContact CD1-CE1 4.19Å; I195-F203 HydrophobicContact CD1-CE2 4.48Å; I195-F203 HydrophobicContact CD1-CG 3.7Å; I195-F203 HydrophobicContact CG1-CD1 4.45Å; I195-F203 HydrophobicContact CG1-CD2 4.29Å; I195-F203 HydrophobicContact CG1-CE2 4.32Å; I195-F203 HydrophobicContact CG1-CG 4.39Å; I195-F203 HydrophobicContact CG1-CZ 4.47Å; I195-F203 HydrophobicContact CG2-CD2 3.49Å; I195-F203 VanDerWaalsContact CG2-CD2 3.49Å; I195-F203 HydrophobicContact CG2-CE2 3.83Å; I195-F203 HydrophobicContact CG2-CG 4.16Å; L199-F203 HydrophobicContact CB-CD2 4.27Å; L199-F203 HydrophobicContact CB-CE2 4.04Å; L199-F203 WeakPolarHBondContact O-CD2 3.35Å; L199-F203 PolarHBondContact O-N 2.73Å; K200-F203 PolarHBondContact O-N 2.68Å; K200-F203 VanDerWaalsContact O-N 3.1Å
204	C	44.6	Very low	47.1	Very low	37 Å²	37	60.3 Å²	60.3	25%	0.25	31%	0.308	C	S	.	.	H	α-helix	trans	-95.7	-17.3	-179.1	-75.3	0	0	0	0	113.3	K200 A201 F245 A250	K200-C204 WeakPolarHBondContact O-CB 3.5Å; K200-C204 PolarHBondContact O-N 3.42Å; K200-C204 PolarHBondContact O-SG 2.74Å; K200-C204 VanDerWaalsContact O-SG 3.42Å; A201-C204 PolarHBondContact O-N 3.46Å; C204-F245 WeakPolarHBondContact O-CE1 3.25Å; C204-F245 WeakPolarHBondContact O-CZ 2.99Å; C204-A250 HydrophobicContact CB-CB 3.75Å; C204-A250 VanDerWaalsContact O-CB 3.25Å; C204-A250 WeakPolarHBondContact O-CB 3.39Å
205	H	44.5	Very low	48.1	Very low	111 Å²	111	59.6 Å²	59.6	51%	0.514	31%	0.306	S	S	.	.	S	Bend	trans	-124.5	139.5	176.8	-61.1	-70.6	0	0	0	108.7	A201 Y202	A201-H205 WeakPolarHBondContact O-CA 3.11Å; A201-H205 WeakPolarHBondContact O-CB 3.46Å; A201-H205 PolarHBondContact O-CD2 3.15Å; A201-H205 VanDerWaalsContact O-CD2 3.26Å; A201-H205 PolarHBondContact O-N 3.08Å; Y202-H205 VanDerWaalsContact O-O 3.12Å
206	P	44.8	Very low	49.1	Very low	29 Å²	29	59.9 Å²	59.9	19%	0.188	31%	0.309	C	S	.	.			trans	-54.1	140.3	166.9	22.7	-29.9	0	0	0	108.5	W129 C210 I214	W129-P206 HydrophobicContact CE3-CB 4.17Å; W129-P206 HydrophobicContact CZ3-CB 4.01Å; P206-C210 HydrophobicContact CB-CB 3.64Å; P206-I214 HydrophobicContact CG-CD1 4.35Å
207	P	45.5	Very low	49.9	Very low	11 Å²	11	56.8 Å²	56.8	7%	0.071	29%	0.29	C	S	.	.			trans	-45.1	150.5	177.5	-28.1	30.8	0	0	0	112.3	Y130 Y209 C210 S211	Y130-P207 HydrophobicContact CD2-CG 4.07Å; Y130-P207 HydrophobicContact CE2-CG 4.39Å; P207-Y209 PolarHBondContact O-N 3.18Å; P207-C210 HydrophobicContact CB-CB 4.46Å; P207-C210 CarbonylContact O-C 3Å; P207-C210 WeakPolarHBondContact O-CA 3.15Å; P207-C210 VanDerWaalsContact O-CB 3.3Å; P207-C210 WeakPolarHBondContact O-CB 3.48Å; P207-C210 PolarHBondContact O-N 3.21Å; P207-S211 PolarHBondContact O-N 3.04Å
208	S	45.3	Very low	50.6	Low	61 Å²	61	56.6 Å²	56.6	43%	0.427	28%	0.283	S	S	.	.	H	α-helix	trans	-44.7	-40.6	173.3	54.7	0	0	0	0	112	S211 L212	S208-S211 WeakPolarHBondContact O-CA 3.36Å; S208-S211 VanDerWaalsContact O-CB 3.23Å; S208-S211 WeakPolarHBondContact O-CB 3.25Å; S208-S211 PolarHBondContact O-N 3.01Å; S208-S211 PolarHBondContact O-OG 3.27Å; S208-L212 PolarHBondContact O-N 3.44Å
209	Y	41.9	Very low	51.7	Low	52 Å²	52	51.8 Å²	51.8	20%	0.204	26%	0.264	C	S	.	.	H	α-helix	trans	-70.1	-35.9	175.5	-79.4	-86.7	0	0	0	115.1	D147 D150 P207 S211 L212 R213	D147-Y209 PolarHBondContact N-OH 3.34Å; D150-Y209 HydrophobicContact CB-CE2 4.43Å; D150-Y209 WeakPolarHBondContact OD2-CE2 3.23Å; P207-Y209 PolarHBondContact O-N 3.18Å; Y209-S211 VanDerWaalsContact C-N 3.26Å; Y209-L212 HydrophobicContact CD1-CD1 4Å; Y209-L212 HydrophobicContact CE1-CD1 4.37Å; Y209-L212 WeakPolarHBondContact O-CB 3.26Å; Y209-L212 PolarHBondContact O-N 3.05Å; Y209-R213 PolarHBondContact O-N 2.89Å
210	C	47.6	Very low	52.8	Low	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-42	168	-74.8	0	0	0	0	109.9	M133 C136 P206 P207 L212 R213 I214	M133-C210 HydrophobicContact SD-CB 4.49Å; C136-C210 PolarHBondContact SG-SG 2.86Å; P206-C210 HydrophobicContact CB-CB 3.64Å; P207-C210 HydrophobicContact CB-CB 4.46Å; P207-C210 CarbonylContact O-C 3Å; P207-C210 WeakPolarHBondContact O-CA 3.15Å; P207-C210 VanDerWaalsContact O-CB 3.3Å; P207-C210 WeakPolarHBondContact O-CB 3.48Å; P207-C210 PolarHBondContact O-N 3.21Å; C210-L212 VanDerWaalsContact C-N 3.27Å; C210-L212 PolarHBondContact O-N 3.19Å; C210-R213 PolarHBondContact O-N 3.41Å; C210-I214 WeakPolarHBondContact O-CG1 3.44Å; C210-I214 PolarHBondContact O-N 2.89Å
211	S	48.8	Very low	53.6	Low	55 Å²	55	51 Å²	51	39%	0.385	27%	0.27	S	S	.	.	H	α-helix	trans	-56.2	-40.9	175.9	94.8	0	0	0	0	111.6	P207 S208 Y209 R213 I214 Q215	P207-S211 PolarHBondContact O-N 3.04Å; S208-S211 WeakPolarHBondContact O-CA 3.36Å; S208-S211 VanDerWaalsContact O-CB 3.23Å; S208-S211 WeakPolarHBondContact O-CB 3.25Å; S208-S211 PolarHBondContact O-N 3.01Å; S208-S211 PolarHBondContact O-OG 3.27Å; Y209-S211 VanDerWaalsContact C-N 3.26Å; S211-R213 PolarHBondContact O-N 2.55Å; S211-I214 WeakPolarHBondContact O-CG1 3.38Å; S211-I214 PolarHBondContact O-N 2.83Å; S211-Q215 WeakPolarHBondContact O-CA 3.3Å; S211-Q215 VanDerWaalsContact O-CB 3.29Å; S211-Q215 WeakPolarHBondContact O-CB 3.06Å; S211-Q215 PolarHBondContact O-N 3.05Å
212	L	49	Very low	54.5	Low	93 Å²	93	48.6 Å²	48.6	49%	0.487	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-39.5	174.3	-68.4	171.9	0	0	0	113	S208 Y209 C210 Q215	S208-L212 PolarHBondContact O-N 3.44Å; Y209-L212 HydrophobicContact CD1-CD1 4Å; Y209-L212 HydrophobicContact CE1-CD1 4.37Å; Y209-L212 WeakPolarHBondContact O-CB 3.26Å; Y209-L212 PolarHBondContact O-N 3.05Å; C210-L212 VanDerWaalsContact C-N 3.27Å; C210-L212 PolarHBondContact O-N 3.19Å; L212-Q215 WeakPolarHBondContact O-CB 3.47Å
213	R	51.8	Low	55.5	Low	70 Å²	70	48.4 Å²	48.4	26%	0.264	26%	0.255	S	S	.	.	H	α-helix	trans	-76.7	-30.5	180	-69	-170	177.4	-148.6	-4.2	113.3	L135 Y209 C210 S211 P216	L135-R213 HydrophobicContact CD2-CB 3.84Å; L135-R213 WeakPolarHBondContact O-CD 3.07Å; L135-R213 PolarHBondContact O-NE 3Å; L135-R213 PolarHBondContact O-NH1 3.4Å; Y209-R213 PolarHBondContact O-N 2.89Å; C210-R213 PolarHBondContact O-N 3.41Å; S211-R213 PolarHBondContact O-N 2.55Å; R213-P216 WeakPolarHBondContact O-CD 3.47Å
214	I	57.3	Low	56.5	Low	9 Å²	9	51 Å²	51	5%	0.046	28%	0.275	C	S	.	.	H	α-helix	trans	-87.1	-13.4	172.7	67.8	174.2	0	0	0	112.3	L135 P206 C210 S211 P216 L217 F218 F238 L242	L135-I214 HydrophobicContact CD1-CG2 3.92Å; P206-I214 HydrophobicContact CG-CD1 4.35Å; C210-I214 WeakPolarHBondContact O-CG1 3.44Å; C210-I214 PolarHBondContact O-N 2.89Å; S211-I214 WeakPolarHBondContact O-CG1 3.38Å; S211-I214 PolarHBondContact O-N 2.83Å; I214-P216 VanDerWaalsContact C-N 3.27Å; I214-P216 VanDerWaalsContact O-N 3.16Å; I214-L217 HydrophobicContact CB-CD1 4.25Å; I214-L217 WeakPolarHBondContact O-CB 3.5Å; I214-L217 PolarHBondContact O-N 3.13Å; I214-F218 HydrophobicContact CB-CE2 4.45Å; I214-F218 HydrophobicContact CD1-CE2 3.84Å; I214-F218 HydrophobicContact CD1-CZ 4.38Å; I214-F218 HydrophobicContact CG1-CE2 3.89Å; I214-F238 HydrophobicContact CG2-CE1 3.89Å; I214-F238 HydrophobicContact CG2-CZ 3.83Å; I214-L242 HydrophobicContact CD1-CD1 4.18Å
215	Q	61.1	Low	57.7	Low	120 Å²	120	49.9 Å²	49.9	56%	0.561	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-49	-41.6	179.9	-164	179.5	4.9	0	0	113.4	S211 L212 L217 F218	S211-Q215 WeakPolarHBondContact O-CA 3.3Å; S211-Q215 VanDerWaalsContact O-CB 3.29Å; S211-Q215 WeakPolarHBondContact O-CB 3.06Å; S211-Q215 PolarHBondContact O-N 3.05Å; L212-Q215 WeakPolarHBondContact O-CB 3.47Å; Q215-L217 PolarHBondContact O-N 2.64Å; Q215-F218 PolarHBondContact O-N 3.25Å
216	P	63.7	Low	58.8	Low	16 Å²	16	44.8 Å²	44.8	10%	0.104	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-56.6	-31.7	176.2	-26	36.1	0	0	0	113.5	R213 I214 F218 D219 L222 I279 L283	R213-P216 WeakPolarHBondContact O-CD 3.47Å; I214-P216 VanDerWaalsContact C-N 3.27Å; I214-P216 VanDerWaalsContact O-N 3.16Å; P216-F218 PolarHBondContact O-N 3.05Å; P216-D219 VanDerWaalsContact O-CB 3.23Å; P216-D219 WeakPolarHBondContact O-CB 3.1Å; P216-D219 PolarHBondContact O-N 3.28Å; P216-L222 VanDerWaalsContact C-CD2 3.45Å; P216-L222 HydrophobicContact CB-CD2 4Å; P216-L222 VanDerWaalsContact O-CB 3.31Å; P216-L222 WeakPolarHBondContact O-CB 3.48Å; P216-L222 WeakPolarHBondContact O-CD2 3.48Å; P216-I279 HydrophobicContact CB-CG2 4.35Å; P216-L283 HydrophobicContact CB-CD1 4.46Å
217	L	63.8	Low	60	Low	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-63.6	-24.1	176.4	-68.2	171.1	0	0	0	113.4	I214 Q215 L222 I223 I226 V235 F238 L239 L276	I214-L217 HydrophobicContact CB-CD1 4.25Å; I214-L217 WeakPolarHBondContact O-CB 3.5Å; I214-L217 PolarHBondContact O-N 3.13Å; Q215-L217 PolarHBondContact O-N 2.64Å; L217-L222 HydrophobicContact CD2-CD2 4.25Å; L217-I223 VanDerWaalsContact O-CG1 3.28Å; L217-I223 WeakPolarHBondContact O-CG1 3.48Å; L217-I226 HydrophobicContact CD2-CD1 4.25Å; L217-V235 HydrophobicContact CD2-CG1 3.67Å; L217-F238 HydrophobicContact CD1-CD1 3.57Å; L217-F238 HydrophobicContact CD1-CE1 3.42Å; L217-F238 VanDerWaalsContact CD1-CE1 3.42Å; L217-L239 HydrophobicContact CB-CD2 4.05Å; L217-L239 HydrophobicContact CD1-CD2 4.22Å; L217-L276 HydrophobicContact CD1-CD1 3.95Å; L217-L276 HydrophobicContact CD1-CD2 4.39Å; L217-L276 HydrophobicContact CD2-CD2 3.68Å; L217-L276 HydrophobicContact CG-CD1 4.15Å; L217-L276 HydrophobicContact CG-CD2 3.7Å
218	F	63.9	Low	60.9	Low	124 Å²	124	54.5 Å²	54.5	54%	0.544	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-90.6	-3.9	175.7	-58	-75.6	0	0	0	112.6	I214 Q215 P216 S220	I214-F218 HydrophobicContact CB-CE2 4.45Å; I214-F218 HydrophobicContact CD1-CE2 3.84Å; I214-F218 HydrophobicContact CD1-CZ 4.38Å; I214-F218 HydrophobicContact CG1-CE2 3.89Å; Q215-F218 PolarHBondContact O-N 3.25Å; P216-F218 PolarHBondContact O-N 3.05Å; F218-S220 PolarHBondContact O-N 2.69Å
219	D	68.6	Low	61.9	Low	52 Å²	52	51.9 Å²	51.9	28%	0.278	26%	0.259	S	S	.	.			trans	-69.1	127.4	172.7	-169.8	-72.2	0	0	0	110.2	P216 T221 L222 I223 L283 K316	P216-D219 VanDerWaalsContact O-CB 3.23Å; P216-D219 WeakPolarHBondContact O-CB 3.1Å; P216-D219 PolarHBondContact O-N 3.28Å; D219-T221 PolarHBondContact O-N 2.97Å; D219-T221 WeakPolarHBondContact OD1-CA 3.44Å; D219-T221 WeakPolarHBondContact OD1-CB 3.31Å; D219-T221 PolarHBondContact OD1-N 3.13Å; D219-T221 PolarHBondContact OD1-OG1 2.96Å; D219-L222 HydrophobicContact CB-CB 4.28Å; D219-L222 PolarHBondContact O-N 3.32Å; D219-I223 WeakPolarHBondContact O-CG1 3.23Å; D219-I223 PolarHBondContact O-N 3.26Å; D219-L283 HydrophobicContact CB-CD1 4.4Å; D219-K316 IonicContact OD1-NZ 3.63Å
220	S	71.4	Confident	63	Low	75 Å²	75	52.4 Å²	52.4	52%	0.524	27%	0.269	S	S	.	.	H	α-helix	trans	-62.7	-26.4	-178.4	50.5	0	0	0	0	113.9	F218 S224 K316	F218-S220 PolarHBondContact O-N 2.69Å; S220-S224 PolarHBondContact O-N 3.11Å; S220-K316 PolarHBondContact OG-NZ 3.35Å
221	T	69	Low	63.9	Low	1 Å²	1	54.4 Å²	54.4	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-63.2	-50.6	170.2	-52.9	0	0	0	0	109.3	D219 S224 L225 K316	D219-T221 PolarHBondContact O-N 2.97Å; D219-T221 WeakPolarHBondContact OD1-CA 3.44Å; D219-T221 WeakPolarHBondContact OD1-CB 3.31Å; D219-T221 PolarHBondContact OD1-N 3.13Å; D219-T221 PolarHBondContact OD1-OG1 2.96Å; T221-S224 PolarHBondContact O-N 2.85Å; T221-S224 PolarHBondContact O-OG 3.21Å; T221-L225 HydrophobicContact CG2-CD1 3.93Å; T221-L225 WeakPolarHBondContact O-CG 3.41Å; T221-L225 PolarHBondContact O-N 2.96Å; T221-K316 VanDerWaalsContact N-NZ 3.19Å; T221-K316 WeakPolarHBondContact OG1-CD 3.39Å; T221-K316 WeakPolarHBondContact OG1-CE 3.29Å; T221-K316 PolarHBondContact OG1-NZ 3.35Å
222	L	68	Low	64.6	Low	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.7	-41.6	-176.9	-166.1	61	0	0	0	111.6	P216 L217 D219 S224 L225 I226 L276 I279 F305 V309	P216-L222 VanDerWaalsContact C-CD2 3.45Å; P216-L222 HydrophobicContact CB-CD2 4Å; P216-L222 VanDerWaalsContact O-CB 3.31Å; P216-L222 WeakPolarHBondContact O-CB 3.48Å; P216-L222 WeakPolarHBondContact O-CD2 3.48Å; L217-L222 HydrophobicContact CD2-CD2 4.25Å; D219-L222 HydrophobicContact CB-CB 4.28Å; D219-L222 PolarHBondContact O-N 3.32Å; L222-S224 VanDerWaalsContact C-N 3.26Å; L222-S224 PolarHBondContact O-N 3.35Å; L222-L225 CarbonylContact O-C 3.22Å; L222-L225 PolarHBondContact O-N 3.33Å; L222-I226 PolarHBondContact O-N 2.8Å; L222-L276 HydrophobicContact CD2-CD2 4.3Å; L222-I279 HydrophobicContact CD1-CD1 4.26Å; L222-I279 HydrophobicContact CD1-CG2 3.89Å; L222-I279 HydrophobicContact CD2-CG2 4Å; L222-F305 HydrophobicContact CD1-CE1 4.13Å; L222-F305 HydrophobicContact CD1-CZ 3.59Å; L222-V309 HydrophobicContact CD1-CG2 4.34Å
223	I	68	Low	65.2	Low	93 Å²	93	56.9 Å²	56.9	48%	0.477	28%	0.283	S	S	.	.	H	α-helix	trans	-55	-43.8	174.6	-67.3	169.3	0	0	0	110.9	L217 D219 L225	L217-I223 VanDerWaalsContact O-CG1 3.28Å; L217-I223 WeakPolarHBondContact O-CG1 3.48Å; D219-I223 WeakPolarHBondContact O-CG1 3.23Å; D219-I223 PolarHBondContact O-N 3.26Å; I223-L225 VanDerWaalsContact C-N 3.27Å; I223-L225 PolarHBondContact O-N 2.9Å
224	S	69.1	Low	65.5	Low	62 Å²	62	55.6 Å²	55.6	43%	0.434	28%	0.281	S	S	.	.	H	α-helix	trans	-68.2	-27.3	179.6	76.2	0	0	0	0	113.6	S220 T221 L222	S220-S224 PolarHBondContact O-N 3.11Å; T221-S224 PolarHBondContact O-N 2.85Å; T221-S224 PolarHBondContact O-OG 3.21Å; L222-S224 VanDerWaalsContact C-N 3.26Å; L222-S224 PolarHBondContact O-N 3.35Å
225	L	69.1	Low	65.8	Low	13 Å²	13	55.2 Å²	55.2	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-97.2	-14.2	-175.6	-66.9	175.9	0	0	0	113.4	T221 L222 I223 K227 Y228 F305 Q308 V309	T221-L225 HydrophobicContact CG2-CD1 3.93Å; T221-L225 WeakPolarHBondContact O-CG 3.41Å; T221-L225 PolarHBondContact O-N 2.96Å; L222-L225 CarbonylContact O-C 3.22Å; L222-L225 PolarHBondContact O-N 3.33Å; I223-L225 VanDerWaalsContact C-N 3.27Å; I223-L225 PolarHBondContact O-N 2.9Å; L225-K227 PolarHBondContact O-N 2.8Å; L225-Y228 HydrophobicContact CD2-CD2 3.9Å; L225-Y228 HydrophobicContact CD2-CE2 4.04Å; L225-Y228 WeakPolarHBondContact O-CB 3.29Å; L225-Y228 WeakPolarHBondContact O-CD2 3.39Å; L225-Y228 PolarHBondContact O-N 2.85Å; L225-F305 HydrophobicContact CB-CE2 4.18Å; L225-F305 WeakPolarHBondContact O-CE2 3.21Å; L225-Q308 HydrophobicContact CD2-CB 4.21Å; L225-V309 VanDerWaalsContact CD1-CA 3.45Å; L225-V309 HydrophobicContact CD1-CB 4.07Å; L225-V309 HydrophobicContact CD1-CG2 3.6Å
226	I	68.3	Low	65.8	Low	4 Å²	4	55.4 Å²	55.4	2%	0.021	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-52.4	-30.7	-176.6	-123.2	164.6	0	0	0	112.8	L217 L222 Y228 W229 V232 V235 Y236 L239	L217-I226 HydrophobicContact CD2-CD1 4.25Å; L222-I226 PolarHBondContact O-N 2.8Å; I226-Y228 PolarHBondContact O-N 3.12Å; I226-W229 WeakPolarHBondContact O-CB 3.42Å; I226-W229 PolarHBondContact O-N 3.01Å; I226-V232 VanDerWaalsContact O-CG2 3.23Å; I226-V232 WeakPolarHBondContact O-CG2 3.38Å; I226-V235 HydrophobicContact CD1-CB 4.45Å; I226-V235 HydrophobicContact CD1-CG1 3.35Å; I226-V235 HydrophobicContact CG1-CB 4.33Å; I226-V235 HydrophobicContact CG1-CG1 3.62Å; I226-Y236 HydrophobicContact CG2-CE1 4.04Å; I226-Y236 HydrophobicContact CG2-CE2 4.12Å; I226-L239 HydrophobicContact CD1-CD1 3.46Å; I226-L239 VanDerWaalsContact CD1-CD1 3.46Å
227	K	68.7	Low	65.5	Low	125 Å²	125	58 Å²	58	54%	0.543	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-61.7	-20	175.5	68.8	-176.7	-176.3	176	0	114.5	L225	L225-K227 PolarHBondContact O-N 2.8Å
228	Y	65.1	Low	65.3	Low	118 Å²	118	58.9 Å²	58.9	46%	0.463	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-97.2	1.1	176	-56.1	-68.5	0	0	0	112.4	L225 I226 Q308	L225-Y228 HydrophobicContact CD2-CD2 3.9Å; L225-Y228 HydrophobicContact CD2-CE2 4.04Å; L225-Y228 WeakPolarHBondContact O-CB 3.29Å; L225-Y228 WeakPolarHBondContact O-CD2 3.39Å; L225-Y228 PolarHBondContact O-N 2.85Å; I226-Y228 PolarHBondContact O-N 3.12Å; Y228-Q308 VanDerWaalsContact CG-OE1 3.28Å
229	W	66.8	Low	65.2	Low	7 Å²	7	54.8 Å²	54.8	3%	0.027	27%	0.272	C	S	.	.			trans	-68.5	131.3	178	-166.4	-74.1	0	0	0	109.6	I226 E231 V232 V235 L272 K275 L276 I279 F305	I226-W229 WeakPolarHBondContact O-CB 3.42Å; I226-W229 PolarHBondContact O-N 3.01Å; W229-E231 PolarHBondContact NE1-OE2 2.9Å; W229-E231 VanDerWaalsContact NE1-OE2 3.14Å; W229-E231 PolarHBondContact O-N 3.27Å; W229-V232 HydrophobicContact CB-CB 4.31Å; W229-V232 VanDerWaalsContact O-CB 3.24Å; W229-V232 WeakPolarHBondContact O-CB 3.46Å; W229-V232 PolarHBondContact O-N 3.01Å; W229-V235 HydrophobicContact CD2-CG2 3.75Å; W229-V235 HydrophobicContact CE3-CG2 4.19Å; W229-V235 HydrophobicContact CG-CG2 3.87Å; W229-V235 HydrophobicContact CZ2-CG2 4.24Å; W229-L272 HydrophobicContact CH2-CD1 4.13Å; W229-L272 HydrophobicContact CZ2-CD1 3.84Å; W229-K275 HydrophobicContact CH2-CB 3.8Å; W229-K275 HydrophobicContact CZ2-CB 3.55Å; W229-K275 HydrophobicContact CZ2-CD 3.67Å; W229-K275 HydrophobicContact CZ2-CG 4.2Å; W229-L276 HydrophobicContact CH2-CD2 4.12Å; W229-L276 HydrophobicContact CZ3-CD2 4.39Å; W229-I279 HydrophobicContact CE3-CD1 4.14Å; W229-I279 HydrophobicContact CH2-CD1 3.26Å; W229-I279 HydrophobicContact CZ2-CD1 4.44Å; W229-I279 HydrophobicContact CZ3-CD1 3.08Å; W229-F305 HydrophobicContact CB-CD2 4.47Å; W229-F305 HydrophobicContact CB-CE2 4.14Å; W229-F305 HydrophobicContact CD2-CE1 4.36Å; W229-F305 HydrophobicContact CD2-CZ 4.18Å; W229-F305 HydrophobicContact CE3-CD1 4.44Å; W229-F305 AromaticContact CE3-CE1 3.6Å; W229-F305 HydrophobicContact CE3-CE1 3.6Å; W229-F305 AromaticContact CE3-CE2 3.99Å; W229-F305 HydrophobicContact CE3-CE2 3.99Å; W229-F305 AromaticContact CE3-CZ 3.31Å; W229-F305 HydrophobicContact CE3-CZ 3.31Å; W229-F305 AromaticContact CZ3-CE1 3.86Å; W229-F305 HydrophobicContact CZ3-CE1 3.86Å; W229-F305 AromaticContact CZ3-CZ 3.89Å; W229-F305 HydrophobicContact CZ3-CZ 3.89Å
230	P	63.2	Low	64.8	Low	63 Å²	63	58.2 Å²	58.2	41%	0.409	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-35.2	-176.6	-24.6	32.2	0	0	0	113.8	E302	P230-E302 WeakPolarHBondContact CB-OE1 3.25Å; P230-E302 WeakPolarHBondContact CB-OE2 3.38Å; P230-E302 HydrophobicContact CG-CB 4.22Å; P230-E302 HydrophobicContact CG-CG 4.22Å; P230-E302 WeakPolarHBondContact CG-OE2 3.17Å
231	E	67.1	Low	64	Low	42 Å²	42	55.7 Å²	55.7	20%	0.196	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	41.4	172.2	-54.5	137	173.7	0	0	112.5	W229 E233 E234 V235 K275	W229-E231 PolarHBondContact NE1-OE2 2.9Å; W229-E231 VanDerWaalsContact NE1-OE2 3.14Å; W229-E231 PolarHBondContact O-N 3.27Å; E231-E233 PolarHBondContact O-N 3.24Å; E231-E234 HydrophobicContact CB-CB 4.04Å; E231-E234 HydrophobicContact CB-CG 3.9Å; E231-E234 WeakPolarHBondContact O-CA 3.32Å; E231-E234 WeakPolarHBondContact O-CB 3.35Å; E231-E234 PolarHBondContact O-N 3.37Å; E231-V235 PolarHBondContact O-N 3.28Å; E231-K275 IonicContact OE1-NZ 3.33Å; E231-K275 PolarHBondContact OE1-NZ 3.37Å; E231-K275 IonicContact OE2-NZ 3.76Å; E231-K275 PolarHBondContact OE2-NZ 3.05Å
232	V	64.5	Low	63.4	Low	36 Å²	36	56.7 Å²	56.7	22%	0.218	27%	0.27	C	S	.	.	H	α-helix	trans	-49	-36.4	-176.7	58.1	0	0	0	0	113.6	I226 W229 E234 V235 Y236	I226-V232 VanDerWaalsContact O-CG2 3.23Å; I226-V232 WeakPolarHBondContact O-CG2 3.38Å; W229-V232 HydrophobicContact CB-CB 4.31Å; W229-V232 VanDerWaalsContact O-CB 3.24Å; W229-V232 WeakPolarHBondContact O-CB 3.46Å; W229-V232 PolarHBondContact O-N 3.01Å; V232-E234 VanDerWaalsContact C-N 3.33Å; V232-E234 PolarHBondContact O-N 3.48Å; V232-V235 PolarHBondContact O-N 2.91Å; V232-Y236 HydrophobicContact CG2-CD2 3.4Å; V232-Y236 HydrophobicContact CG2-CE2 3.23Å; V232-Y236 WeakPolarHBondContact O-CB 3.36Å; V232-Y236 VanDerWaalsContact O-CD2 3.25Å; V232-Y236 WeakPolarHBondContact O-CD2 3.43Å; V232-Y236 PolarHBondContact O-N 3.29Å
233	E	61.4	Low	62.8	Low	163 Å²	163	61.8 Å²	61.8	76%	0.762	29%	0.292	S	S	*	.	H	α-helix	trans	-61.9	-38.9	176.3	-65.2	-172.5	172.6	0	0	112.4	E231 F237	E231-E233 PolarHBondContact O-N 3.24Å; E233-F237 VanDerWaalsContact O-CB 3.25Å; E233-F237 WeakPolarHBondContact O-CB 3.38Å; E233-F237 PolarHBondContact O-N 2.78Å
234	E	58.6	Low	62.1	Low	44 Å²	44	58.8 Å²	58.8	21%	0.206	28%	0.277	C	S	.	.	H	α-helix	trans	-67	-41.8	178.7	-63.3	-176.3	-169.9	0	0	111.3	E231 V232 F237 F238 F267	E231-E234 HydrophobicContact CB-CB 4.04Å; E231-E234 HydrophobicContact CB-CG 3.9Å; E231-E234 WeakPolarHBondContact O-CA 3.32Å; E231-E234 WeakPolarHBondContact O-CB 3.35Å; E231-E234 PolarHBondContact O-N 3.37Å; V232-E234 VanDerWaalsContact C-N 3.33Å; V232-E234 PolarHBondContact O-N 3.48Å; E234-F237 PolarHBondContact O-N 3.5Å; E234-F238 WeakPolarHBondContact O-CB 3.46Å; E234-F238 PolarHBondContact O-N 2.95Å; E234-F267 HydrophobicContact CB-CD2 4.06Å; E234-F267 HydrophobicContact CB-CE2 4.02Å; E234-F267 HydrophobicContact CG-CD2 4.32Å
235	V	62	Low	61.2	Low	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.1	-43.4	177.7	-173.6	0	0	0	0	110.9	L217 I226 W229 E231 V232 F237 F238 L239 L272	L217-V235 HydrophobicContact CD2-CG1 3.67Å; I226-V235 HydrophobicContact CD1-CB 4.45Å; I226-V235 HydrophobicContact CD1-CG1 3.35Å; I226-V235 HydrophobicContact CG1-CB 4.33Å; I226-V235 HydrophobicContact CG1-CG1 3.62Å; W229-V235 HydrophobicContact CD2-CG2 3.75Å; W229-V235 HydrophobicContact CE3-CG2 4.19Å; W229-V235 HydrophobicContact CG-CG2 3.87Å; W229-V235 HydrophobicContact CZ2-CG2 4.24Å; E231-V235 PolarHBondContact O-N 3.28Å; V232-V235 PolarHBondContact O-N 2.91Å; V235-F237 VanDerWaalsContact C-N 3.3Å; V235-F237 PolarHBondContact O-N 3.4Å; V235-F238 PolarHBondContact O-N 3.35Å; V235-L239 HydrophobicContact CG1-CD1 4.2Å; V235-L239 HydrophobicContact CG1-CG 4.46Å; V235-L239 WeakPolarHBondContact O-CB 3.5Å; V235-L239 WeakPolarHBondContact O-CG 3.48Å; V235-L239 PolarHBondContact O-N 3.43Å; V235-L272 HydrophobicContact CG2-CD1 3.99Å
236	Y	60.9	Low	60.3	Low	125 Å²	125	63.5 Å²	63.5	49%	0.49	29%	0.291	S	S	.	.	H	α-helix	trans	-60.6	-41.2	174.2	-87.6	-57.5	0	0	0	111.9	I226 V232 L239 F240	I226-Y236 HydrophobicContact CG2-CE1 4.04Å; I226-Y236 HydrophobicContact CG2-CE2 4.12Å; V232-Y236 HydrophobicContact CG2-CD2 3.4Å; V232-Y236 HydrophobicContact CG2-CE2 3.23Å; V232-Y236 WeakPolarHBondContact O-CB 3.36Å; V232-Y236 VanDerWaalsContact O-CD2 3.25Å; V232-Y236 WeakPolarHBondContact O-CD2 3.43Å; V232-Y236 PolarHBondContact O-N 3.29Å; Y236-L239 PolarHBondContact O-N 2.92Å; Y236-F240 WeakPolarHBondContact O-CB 3.38Å; Y236-F240 PolarHBondContact O-N 3.45Å
237	F	58.6	Low	59.6	Low	70 Å²	70	71.6 Å²	71.6	31%	0.307	32%	0.322	S	S	.	.	H	α-helix	trans	-63.6	-47.5	177.6	-174.5	-95.2	0	0	0	111	E233 E234 V235 L239 F240 E241	E233-F237 VanDerWaalsContact O-CB 3.25Å; E233-F237 WeakPolarHBondContact O-CB 3.38Å; E233-F237 PolarHBondContact O-N 2.78Å; E234-F237 PolarHBondContact O-N 3.5Å; V235-F237 VanDerWaalsContact C-N 3.3Å; V235-F237 PolarHBondContact O-N 3.4Å; F237-L239 PolarHBondContact O-N 3.41Å; F237-F240 PolarHBondContact O-N 3.04Å; F237-E241 HydrophobicContact CD1-CG 4.18Å; F237-E241 HydrophobicContact CE1-CG 3.77Å; F237-E241 HydrophobicContact CE2-CG 4.45Å; F237-E241 HydrophobicContact CZ-CG 3.91Å; F237-E241 WeakPolarHBondContact CZ-OE1 3.47Å; F237-E241 WeakPolarHBondContact O-CG 3.45Å; F237-E241 PolarHBondContact O-N 2.9Å
238	F	59.9	Low	58.7	Low	20 Å²	20	68.1 Å²	68.1	9%	0.088	31%	0.309	C	S	.	.	H	α-helix	trans	-58.5	-45.8	175.9	-178.8	-105.3	0	0	0	112.3	L135 I214 L217 E234 V235 E241 L242 F267 L272	L135-F238 HydrophobicContact CD1-CZ 4.18Å; I214-F238 HydrophobicContact CG2-CE1 3.89Å; I214-F238 HydrophobicContact CG2-CZ 3.83Å; L217-F238 HydrophobicContact CD1-CD1 3.57Å; L217-F238 HydrophobicContact CD1-CE1 3.42Å; L217-F238 VanDerWaalsContact CD1-CE1 3.42Å; E234-F238 WeakPolarHBondContact O-CB 3.46Å; E234-F238 PolarHBondContact O-N 2.95Å; V235-F238 PolarHBondContact O-N 3.35Å; F238-E241 PolarHBondContact O-N 3.47Å; F238-L242 HydrophobicContact CD1-CD1 3.84Å; F238-L242 HydrophobicContact CD1-CG 4.48Å; F238-L242 HydrophobicContact CE1-CD1 3.28Å; F238-L242 HydrophobicContact CE1-CG 4.1Å; F238-L242 HydrophobicContact CE2-CD1 4.45Å; F238-L242 HydrophobicContact CE2-CG 4.46Å; F238-L242 HydrophobicContact CZ-CD1 3.64Å; F238-L242 HydrophobicContact CZ-CD2 4.41Å; F238-L242 HydrophobicContact CZ-CG 4.09Å; F238-L242 WeakPolarHBondContact O-CG 3.13Å; F238-L242 PolarHBondContact O-N 3.5Å; F238-F267 HydrophobicContact CB-CZ 4.08Å; F238-F267 HydrophobicContact CD2-CE1 4.37Å; F238-F267 AromaticContact CD2-CZ 3.99Å; F238-F267 HydrophobicContact CD2-CZ 3.99Å; F238-F267 HydrophobicContact CG-CZ 4.33Å; F238-L272 HydrophobicContact CB-CD2 4.29Å; F238-L272 HydrophobicContact CD1-CD2 4.25Å; F238-L272 HydrophobicContact CD2-CD2 4.45Å; F238-L272 HydrophobicContact CG-CD2 4.07Å
239	L	61.4	Low	57.9	Low	38 Å²	38	65.1 Å²	65.1	20%	0.199	31%	0.314	C	S	.	.	H	α-helix	trans	-65	-39.8	176.2	-76.7	177.4	0	0	0	113	L217 I226 V235 Y236 F237 L242 K243	L217-L239 HydrophobicContact CB-CD2 4.05Å; L217-L239 HydrophobicContact CD1-CD2 4.22Å; I226-L239 HydrophobicContact CD1-CD1 3.46Å; I226-L239 VanDerWaalsContact CD1-CD1 3.46Å; V235-L239 HydrophobicContact CG1-CD1 4.2Å; V235-L239 HydrophobicContact CG1-CG 4.46Å; V235-L239 WeakPolarHBondContact O-CB 3.5Å; V235-L239 WeakPolarHBondContact O-CG 3.48Å; V235-L239 PolarHBondContact O-N 3.43Å; Y236-L239 PolarHBondContact O-N 2.92Å; F237-L239 PolarHBondContact O-N 3.41Å; L239-L242 PolarHBondContact O-N 3.33Å; L239-K243 WeakPolarHBondContact O-CB 3.28Å; L239-K243 PolarHBondContact O-N 2.93Å
240	F	58.9	Low	56.9	Low	123 Å²	123	65.2 Å²	65.2	54%	0.539	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-47.2	177.2	179.8	-92.2	0	0	0	110.5	Y236 F237 K243 D244	Y236-F240 WeakPolarHBondContact O-CB 3.38Å; Y236-F240 PolarHBondContact O-N 3.45Å; F237-F240 PolarHBondContact O-N 3.04Å; F240-K243 PolarHBondContact O-N 3.05Å; F240-D244 VanDerWaalsContact O-CB 3.29Å; F240-D244 WeakPolarHBondContact O-CB 3.48Å; F240-D244 PolarHBondContact O-N 3.47Å
241	E	55.8	Low	55.8	Low	22 Å²	22	71.4 Å²	71.4	10%	0.103	33%	0.331	C	S	.	.	H	α-helix	trans	-63.8	-43.6	177.1	-70.4	-71.7	158.2	0	0	111.8	F237 F238 K243 D244 F245 S256 F258	F237-E241 HydrophobicContact CD1-CG 4.18Å; F237-E241 HydrophobicContact CE1-CG 3.77Å; F237-E241 HydrophobicContact CE2-CG 4.45Å; F237-E241 HydrophobicContact CZ-CG 3.91Å; F237-E241 WeakPolarHBondContact CZ-OE1 3.47Å; F237-E241 WeakPolarHBondContact O-CG 3.45Å; F237-E241 PolarHBondContact O-N 2.9Å; F238-E241 PolarHBondContact O-N 3.47Å; E241-K243 VanDerWaalsContact C-N 3.35Å; E241-K243 PolarHBondContact O-N 2.89Å; E241-D244 PolarHBondContact O-N 3.47Å; E241-F245 VanDerWaalsContact O-CB 3.25Å; E241-F245 WeakPolarHBondContact O-CB 3.19Å; E241-F245 PolarHBondContact O-N 3.49Å; E241-S256 PolarHBondContact OE2-OG 2.86Å; E241-S256 VanDerWaalsContact OE2-OG 3.05Å; E241-F258 WeakPolarHBondContact OE2-CB 3.25Å
242	L	56.8	Low	54.6	Low	22 Å²	22	71 Å²	71	12%	0.115	33%	0.328	C	S	.	.	H	α-helix	trans	-59.2	-45.4	174.4	-79.7	178.8	0	0	0	112	W129 I214 F238 L239 F245 E246	W129-L242 HydrophobicContact CH2-CD2 4.12Å; I214-L242 HydrophobicContact CD1-CD1 4.18Å; F238-L242 HydrophobicContact CD1-CD1 3.84Å; F238-L242 HydrophobicContact CD1-CG 4.48Å; F238-L242 HydrophobicContact CE1-CD1 3.28Å; F238-L242 HydrophobicContact CE1-CG 4.1Å; F238-L242 HydrophobicContact CE2-CD1 4.45Å; F238-L242 HydrophobicContact CE2-CG 4.46Å; F238-L242 HydrophobicContact CZ-CD1 3.64Å; F238-L242 HydrophobicContact CZ-CD2 4.41Å; F238-L242 HydrophobicContact CZ-CG 4.09Å; F238-L242 WeakPolarHBondContact O-CG 3.13Å; F238-L242 PolarHBondContact O-N 3.5Å; L239-L242 PolarHBondContact O-N 3.33Å; L242-F245 PolarHBondContact O-N 3.36Å; L242-E246 PolarHBondContact O-N 2.9Å
243	K	55.3	Low	53.5	Low	108 Å²	108	71.4 Å²	71.4	47%	0.47	33%	0.328	S	S	.	.	H	α-helix	trans	-68.7	-39.4	-179.6	-171.6	-178.8	-168.4	179.8	0	112.1	L239 F240 E241 F245 E246 R247	L239-K243 WeakPolarHBondContact O-CB 3.28Å; L239-K243 PolarHBondContact O-N 2.93Å; F240-K243 PolarHBondContact O-N 3.05Å; E241-K243 VanDerWaalsContact C-N 3.35Å; E241-K243 PolarHBondContact O-N 2.89Å; K243-F245 VanDerWaalsContact C-N 3.34Å; K243-E246 PolarHBondContact O-N 3.37Å; K243-R247 VanDerWaalsContact CE-NH2 3.28Å; K243-R247 VanDerWaalsContact O-CB 3.31Å; K243-R247 WeakPolarHBondContact O-CB 3.31Å; K243-R247 WeakPolarHBondContact O-CD 3.29Å; K243-R247 WeakPolarHBondContact O-CG 3.2Å; K243-R247 PolarHBondContact O-N 3.15Å
244	D	51.7	Low	52.5	Low	29 Å²	29	65.2 Å²	65.2	16%	0.155	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-44.1	175.3	-171.6	60.3	0	0	0	110.6	F240 E241 E246 R247 N248 H253	F240-D244 VanDerWaalsContact O-CB 3.29Å; F240-D244 WeakPolarHBondContact O-CB 3.48Å; F240-D244 PolarHBondContact O-N 3.47Å; E241-D244 PolarHBondContact O-N 3.47Å; D244-E246 PolarHBondContact O-N 3.45Å; D244-R247 PolarHBondContact O-N 2.99Å; D244-N248 WeakPolarHBondContact O-CB 3.32Å; D244-N248 VanDerWaalsContact O-CG 3.27Å; D244-N248 PolarHBondContact O-N 3.07Å; D244-N248 PolarHBondContact O-ND2 3.3Å; D244-N248 PolarHBondContact OD2-ND2 3.04Å; D244-H253 IonicContact OD1-NE2 2.68Å; D244-H253 IonicContact OD2-CE1 2.75Å; D244-H253 PolarHBondContact OD2-CE1 3.03Å; D244-H253 IonicContact OD2-ND1 2.69Å; D244-H253 IonicContact OD2-NE2 2.8Å; D244-H253 PolarHBondContact OD2-NE2 2.97Å
245	F	50.3	Low	51.6	Low	30 Å²	30	70.1 Å²	70.1	13%	0.132	33%	0.326	C	S	.	.	H	α-helix	trans	-60.2	-45.9	174.6	-179.1	-107.6	0	0	0	112.9	C204 E241 L242 K243 N248 A250 Y252	C204-F245 WeakPolarHBondContact O-CE1 3.25Å; C204-F245 WeakPolarHBondContact O-CZ 2.99Å; E241-F245 VanDerWaalsContact O-CB 3.25Å; E241-F245 WeakPolarHBondContact O-CB 3.19Å; E241-F245 PolarHBondContact O-N 3.49Å; L242-F245 PolarHBondContact O-N 3.36Å; K243-F245 VanDerWaalsContact C-N 3.34Å; F245-N248 PolarHBondContact O-N 2.8Å; F245-A250 HydrophobicContact CE1-CB 3.96Å; F245-A250 WeakPolarHBondContact CE2-O 3.17Å; F245-A250 HydrophobicContact CZ-CB 3.88Å; F245-A250 WeakPolarHBondContact O-CA 3.36Å; F245-A250 PolarHBondContact O-N 3.38Å; F245-Y252 AromaticContact CD2-CD1 3.99Å; F245-Y252 HydrophobicContact CD2-CD1 3.99Å; F245-Y252 AromaticContact CD2-CE1 3.86Å; F245-Y252 HydrophobicContact CD2-CE1 3.86Å; F245-Y252 AromaticContact CE2-CD1 3.84Å; F245-Y252 HydrophobicContact CE2-CD1 3.84Å; F245-Y252 HydrophobicContact CE2-CD2 4.2Å; F245-Y252 AromaticContact CE2-CE1 3.51Å; F245-Y252 HydrophobicContact CE2-CE1 3.51Å; F245-Y252 AromaticContact CE2-CE2 3.93Å; F245-Y252 HydrophobicContact CE2-CE2 3.93Å; F245-Y252 HydrophobicContact CE2-CG 4.17Å; F245-Y252 AromaticContact CE2-CZ 3.57Å; F245-Y252 HydrophobicContact CZ-CE1 4.39Å; F245-Y252 HydrophobicContact CZ-CE2 4.5Å
246	E	51.8	Low	50.5	Low	145 Å²	145	70.6 Å²	70.6	68%	0.678	33%	0.329	S	S	*	.	H	α-helix	trans	-61.6	-48.2	175.3	-173.5	-172.8	-173.3	0	0	111.9	L242 K243 D244 N248 G249	L242-E246 PolarHBondContact O-N 2.9Å; K243-E246 PolarHBondContact O-N 3.37Å; D244-E246 PolarHBondContact O-N 3.45Å; E246-N248 PolarHBondContact O-N 3.05Å; E246-G249 WeakPolarHBondContact O-CA 3.19Å; E246-G249 PolarHBondContact O-N 3.42Å
247	R	52	Low	49.5	Very low	173 Å²	173	68.2 Å²	68.2	65%	0.653	32%	0.322	S	S	*	.	H	α-helix	trans	-59.6	-31.7	178.6	-78.4	170.8	169.1	-172.7	-8.2	113	K243 D244 G249	K243-R247 VanDerWaalsContact CE-NH2 3.28Å; K243-R247 VanDerWaalsContact O-CB 3.31Å; K243-R247 WeakPolarHBondContact O-CB 3.31Å; K243-R247 WeakPolarHBondContact O-CD 3.29Å; K243-R247 WeakPolarHBondContact O-CG 3.2Å; K243-R247 PolarHBondContact O-N 3.15Å; D244-R247 PolarHBondContact O-N 2.99Å; R247-G249 PolarHBondContact O-N 3.43Å
248	N	50.2	Low	48.6	Very low	53 Å²	53	67.4 Å²	67.4	28%	0.283	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	10.6	175.9	-70.3	-43.2	0	0	0	112.9	D244 F245 E246 R251 H253	D244-N248 WeakPolarHBondContact O-CB 3.32Å; D244-N248 VanDerWaalsContact O-CG 3.27Å; D244-N248 PolarHBondContact O-N 3.07Å; D244-N248 PolarHBondContact O-ND2 3.3Å; D244-N248 PolarHBondContact OD2-ND2 3.04Å; F245-N248 PolarHBondContact O-N 2.8Å; E246-N248 PolarHBondContact O-N 3.05Å; N248-R251 VanDerWaalsContact CB-O 3.25Å; N248-R251 WeakPolarHBondContact CB-O 3.35Å; N248-R251 VanDerWaalsContact O-CB 3.26Å; N248-R251 WeakPolarHBondContact O-CB 3.39Å; N248-R251 WeakPolarHBondContact O-CG 3.28Å; N248-R251 PolarHBondContact O-N 2.89Å; N248-H253 PolarHBondContact ND2-CD2 2.66Å
249	G	49.1	Very low	47.3	Very low	54 Å²	54	67 Å²	67	56%	0.557	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	36.3	179.9	0	0	0	0	0	112.3	E246 R247 R251	E246-G249 WeakPolarHBondContact O-CA 3.19Å; E246-G249 PolarHBondContact O-N 3.42Å; R247-G249 PolarHBondContact O-N 3.43Å; G249-R251 PolarHBondContact O-N 2.85Å
250	A	45.5	Very low	46.1	Very low	10 Å²	10	66.6 Å²	66.6	8%	0.083	32%	0.316	C	S	.	.	S	Bend	trans	58	26	-172.3	0	0	0	0	0	113.7	C204 F245	C204-A250 HydrophobicContact CB-CB 3.75Å; C204-A250 VanDerWaalsContact O-CB 3.25Å; C204-A250 WeakPolarHBondContact O-CB 3.39Å; F245-A250 HydrophobicContact CE1-CB 3.96Å; F245-A250 WeakPolarHBondContact CE2-O 3.17Å; F245-A250 HydrophobicContact CZ-CB 3.88Å; F245-A250 WeakPolarHBondContact O-CA 3.36Å; F245-A250 PolarHBondContact O-N 3.38Å
251	R	40.5	Very low	44.8	Very low	192 Å²	192	62 Å²	62	73%	0.725	30%	0.303	S	S	*	.			trans	-103.2	131.4	174.6	-57	178.5	-179.3	-179.5	-0.1	108.9	N248 G249 H253	N248-R251 VanDerWaalsContact CB-O 3.25Å; N248-R251 WeakPolarHBondContact CB-O 3.35Å; N248-R251 VanDerWaalsContact O-CB 3.26Å; N248-R251 WeakPolarHBondContact O-CB 3.39Å; N248-R251 WeakPolarHBondContact O-CG 3.28Å; N248-R251 PolarHBondContact O-N 2.89Å; G249-R251 PolarHBondContact O-N 2.85Å; R251-H253 PolarHBondContact O-N 3.47Å
252	Y	42.1	Very low	43.7	Very low	34 Å²	34	65.2 Å²	65.2	13%	0.133	32%	0.317	C	S	.	.			trans	-71.4	127.7	173.3	-62.4	-78.3	0	0	0	110.7	V122 W129 F245 F258 L259	V122-Y252 HydrophobicContact CG1-CE2 4.44Å; V122-Y252 HydrophobicContact CG2-CD2 3.84Å; V122-Y252 HydrophobicContact CG2-CE2 4.08Å; W129-Y252 PolarHBondContact NE1-OH 2.93Å; F245-Y252 AromaticContact CD2-CD1 3.99Å; F245-Y252 HydrophobicContact CD2-CD1 3.99Å; F245-Y252 AromaticContact CD2-CE1 3.86Å; F245-Y252 HydrophobicContact CD2-CE1 3.86Å; F245-Y252 AromaticContact CE2-CD1 3.84Å; F245-Y252 HydrophobicContact CE2-CD1 3.84Å; F245-Y252 HydrophobicContact CE2-CD2 4.2Å; F245-Y252 AromaticContact CE2-CE1 3.51Å; F245-Y252 HydrophobicContact CE2-CE1 3.51Å; F245-Y252 AromaticContact CE2-CE2 3.93Å; F245-Y252 HydrophobicContact CE2-CE2 3.93Å; F245-Y252 HydrophobicContact CE2-CG 4.17Å; F245-Y252 AromaticContact CE2-CZ 3.57Å; F245-Y252 HydrophobicContact CZ-CE1 4.39Å; F245-Y252 HydrophobicContact CZ-CE2 4.5Å; Y252-F258 HydrophobicContact CD1-CD1 4.14Å; Y252-F258 AromaticContact CE1-CD1 3.7Å; Y252-F258 HydrophobicContact CE1-CD1 3.7Å; Y252-F258 AromaticContact CE1-CE1 3.78Å; Y252-F258 HydrophobicContact CE1-CE1 3.78Å; Y252-L259 VanDerWaalsContact CB-CD2 3.45Å; Y252-L259 HydrophobicContact CD1-CD2 4.04Å; Y252-L259 HydrophobicContact CD1-CG 4.48Å; Y252-L259 HydrophobicContact CG-CD2 3.85Å; Y252-L259 HydrophobicContact CG-CG 4.44Å
253	H	40	Very low	42.8	Very low	44 Å²	44	67.8 Å²	67.8	20%	0.204	33%	0.334	C	S	.	.			trans	-107.2	153.2	177.9	85	-14.7	0	0	0	112.6	D244 N248 R251 Q255 S256 L259	D244-H253 IonicContact OD1-NE2 2.68Å; D244-H253 IonicContact OD2-CE1 2.75Å; D244-H253 PolarHBondContact OD2-CE1 3.03Å; D244-H253 IonicContact OD2-ND1 2.69Å; D244-H253 IonicContact OD2-NE2 2.8Å; D244-H253 PolarHBondContact OD2-NE2 2.97Å; N248-H253 PolarHBondContact ND2-CD2 2.66Å; R251-H253 PolarHBondContact O-N 3.47Å; H253-Q255 PolarHBondContact ND1-N 3.33Å; H253-Q255 PolarHBondContact O-N 3.38Å; H253-S256 WeakPolarHBondContact CE1-CA 3.48Å; H253-S256 WeakPolarHBondContact CE1-CB 3.41Å; H253-S256 PolarHBondContact CE1-N 3.17Å; H253-S256 WeakPolarHBondContact ND1-CA 3.41Å; H253-S256 WeakPolarHBondContact ND1-CB 3.31Å; H253-S256 PolarHBondContact ND1-N 2.92Å; H253-S256 PolarHBondContact O-N 2.82Å; H253-L259 VanDerWaalsContact C-CD1 3.42Å; H253-L259 WeakPolarHBondContact O-CD1 3.35Å
254	S	40.3	Very low	42	Very low	34 Å²	34	69.3 Å²	69.3	24%	0.238	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.8	-176.4	60.3	0	0	0	0	115.5
255	Q	39.6	Very low	41.4	Very low	147 Å²	147	77.4 Å²	77.4	69%	0.687	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-4	179.1	-69.2	-177.2	-17.4	0	0	113	H253 E257	H253-Q255 PolarHBondContact ND1-N 3.33Å; H253-Q255 PolarHBondContact O-N 3.38Å; Q255-E257 PolarHBondContact O-N 2.96Å
256	S	40.3	Very low	40.9	Very low	9 Å²	9	83.4 Å²	83.4	6%	0.063	40%	0.398	C	S	.	.			trans	-79.8	122.5	-176.7	165.3	0	0	0	0	105.9	E241 H253 F258 L259	E241-S256 PolarHBondContact OE2-OG 2.86Å; E241-S256 VanDerWaalsContact OE2-OG 3.05Å; H253-S256 WeakPolarHBondContact CE1-CA 3.48Å; H253-S256 WeakPolarHBondContact CE1-CB 3.41Å; H253-S256 PolarHBondContact CE1-N 3.17Å; H253-S256 WeakPolarHBondContact ND1-CA 3.41Å; H253-S256 WeakPolarHBondContact ND1-CB 3.31Å; H253-S256 PolarHBondContact ND1-N 2.92Å; H253-S256 PolarHBondContact O-N 2.82Å; S256-F258 PolarHBondContact O-N 3.43Å; S256-F258 VanDerWaalsContact O-N 3.13Å; S256-F258 WeakPolarHBondContact OG-CB 3.37Å; S256-F258 PolarHBondContact OG-N 2.92Å; S256-L259 WeakPolarHBondContact O-CB 3.24Å; S256-L259 PolarHBondContact O-N 3.24Å
257	E	40.2	Very low	40.3	Very low	75 Å²	75	78.1 Å²	78.1	35%	0.35	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-59.3	-24.9	176	-67.6	-168	174.2	0	0	110.2	Q255 L259 T260 R264	Q255-E257 PolarHBondContact O-N 2.96Å; E257-L259 VanDerWaalsContact C-N 3.32Å; E257-L259 PolarHBondContact O-N 2.79Å; E257-T260 WeakPolarHBondContact O-CB 3.27Å; E257-T260 PolarHBondContact O-N 3.25Å; E257-T260 PolarHBondContact O-OG1 3.26Å; E257-R264 VanDerWaalsContact CD-NH2 3.35Å; E257-R264 IonicContact OE1-NH2 3.04Å; E257-R264 PolarHBondContact OE1-NH2 3.42Å; E257-R264 IonicContact OE2-CZ 3.05Å; E257-R264 IonicContact OE2-NE 2.68Å; E257-R264 PolarHBondContact OE2-NE 2.9Å; E257-R264 IonicContact OE2-NH2 2.68Å; E257-R264 PolarHBondContact OE2-NH2 3.44Å
258	F	38.3	Very low	39.9	Very low	54 Å²	54	75.7 Å²	75.7	24%	0.237	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-58.8	-35.8	170.3	-159.5	-93.8	0	0	0	113.7	K125 W128 W129 E241 Y252 S256 T260	K125-F258 PolarHBondContact NZ-O 2.82Å; W128-F258 AromaticContact CE3-CZ 3.9Å; W128-F258 HydrophobicContact CE3-CZ 3.9Å; W128-F258 HydrophobicContact CH2-CE2 4.25Å; W128-F258 HydrophobicContact CH2-CZ 4.42Å; W128-F258 AromaticContact CZ3-CE2 3.72Å; W128-F258 HydrophobicContact CZ3-CE2 3.72Å; W128-F258 AromaticContact CZ3-CZ 3.49Å; W128-F258 HydrophobicContact CZ3-CZ 3.49Å; W128-F258 VanDerWaalsContact CZ3-CZ 3.49Å; W129-F258 AromaticContact CE2-CZ 3.49Å; W129-F258 VanDerWaalsContact CE2-CZ 3.49Å; W129-F258 HydrophobicContact CZ2-CE1 4.28Å; W129-F258 AromaticContact CZ2-CE2 3.97Å; W129-F258 HydrophobicContact CZ2-CE2 3.97Å; W129-F258 AromaticContact CZ2-CZ 3.61Å; W129-F258 HydrophobicContact CZ2-CZ 3.61Å; W129-F258 AromaticContact NE1-CE1 3.28Å; W129-F258 VanDerWaalsContact NE1-CE1 3.28Å; W129-F258 AromaticContact NE1-CZ 3.09Å; E241-F258 WeakPolarHBondContact OE2-CB 3.25Å; Y252-F258 HydrophobicContact CD1-CD1 4.14Å; Y252-F258 AromaticContact CE1-CD1 3.7Å; Y252-F258 HydrophobicContact CE1-CD1 3.7Å; Y252-F258 AromaticContact CE1-CE1 3.78Å; Y252-F258 HydrophobicContact CE1-CE1 3.78Å; S256-F258 PolarHBondContact O-N 3.43Å; S256-F258 VanDerWaalsContact O-N 3.13Å; S256-F258 WeakPolarHBondContact OG-CB 3.37Å; S256-F258 PolarHBondContact OG-N 2.92Å; F258-T260 VanDerWaalsContact C-N 3.25Å; F258-T260 PolarHBondContact O-N 3.44Å
259	L	33.1	Very low	39.7	Very low	10 Å²	10	74.9 Å²	74.9	5%	0.052	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-68.2	-26.3	173.2	-86.1	-165.7	0	0	0	112.7	L112 I121 K125 Y252 H253 S256 E257 G261	L112-L259 HydrophobicContact CD1-CD1 4.43Å; I121-L259 HydrophobicContact CG2-CD2 4.33Å; K125-L259 VanDerWaalsContact NZ-CA 3.26Å; K125-L259 PolarHBondContact NZ-O 3.11Å; Y252-L259 VanDerWaalsContact CB-CD2 3.45Å; Y252-L259 HydrophobicContact CD1-CD2 4.04Å; Y252-L259 HydrophobicContact CD1-CG 4.48Å; Y252-L259 HydrophobicContact CG-CD2 3.85Å; Y252-L259 HydrophobicContact CG-CG 4.44Å; H253-L259 VanDerWaalsContact C-CD1 3.42Å; H253-L259 WeakPolarHBondContact O-CD1 3.35Å; S256-L259 WeakPolarHBondContact O-CB 3.24Å; S256-L259 PolarHBondContact O-N 3.24Å; E257-L259 VanDerWaalsContact C-N 3.32Å; E257-L259 PolarHBondContact O-N 2.79Å; L259-G261 VanDerWaalsContact C-N 3.26Å; L259-G261 PolarHBondContact O-N 2.9Å
260	T	36.4	Very low	39.5	Very low	30 Å²	30	81.1 Å²	81.1	18%	0.184	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-78.5	-7	-175.7	72.6	0	0	0	0	114	E257 F258 K262	E257-T260 WeakPolarHBondContact O-CB 3.27Å; E257-T260 PolarHBondContact O-N 3.25Å; E257-T260 PolarHBondContact O-OG1 3.26Å; F258-T260 VanDerWaalsContact C-N 3.25Å; F258-T260 PolarHBondContact O-N 3.44Å; T260-K262 PolarHBondContact O-N 2.83Å; T260-K262 VanDerWaalsContact O-N 3.15Å
261	G	31.4	Very low	40	Very low	26 Å²	26	84 Å²	84	27%	0.268	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	6.8	-178.8	0	0	0	0	0	113.7	L259 V263	L259-G261 VanDerWaalsContact C-N 3.26Å; L259-G261 PolarHBondContact O-N 2.9Å; G261-V263 VanDerWaalsContact C-N 3.33Å; G261-V263 PolarHBondContact O-N 3.23Å
262	K	33.5	Very low	40.9	Very low	91 Å²	91	75 Å²	75	40%	0.396	35%	0.354	S	S	.	.			trans	-78	85.7	170.7	-70.2	179.5	-175.8	161.2	0	108.8	E104 T260 R264	E104-K262 WeakPolarHBondContact OE2-CE 3.49Å; E104-K262 IonicContact OE2-NZ 3.07Å; E104-K262 PolarHBondContact OE2-NZ 3.48Å; T260-K262 PolarHBondContact O-N 2.83Å; T260-K262 VanDerWaalsContact O-N 3.15Å; K262-R264 VanDerWaalsContact C-N 3.32Å; K262-R264 PolarHBondContact O-N 3.37Å
263	V	38	Very low	41.6	Very low	76 Å²	76	73.6 Å²	73.6	46%	0.461	35%	0.35	S	S	.	.			trans	-61.9	105.2	153.3	-172.1	0	0	0	0	105	G261 K265 F267	G261-V263 VanDerWaalsContact C-N 3.33Å; G261-V263 PolarHBondContact O-N 3.23Å; V263-K265 PolarHBondContact O-N 2.85Å; V263-K265 VanDerWaalsContact O-N 3.12Å; V263-F267 HydrophobicContact CG1-CB 4.42Å
264	R	38.8	Very low	42.7	Very low	140 Å²	140	77.1 Å²	77.1	53%	0.528	36%	0.362	S	S	.	.			trans	-55	125.6	173.2	-71.5	-173.8	-178.1	-160.3	1.1	106.1	E257 K262 H266 F267	E257-R264 VanDerWaalsContact CD-NH2 3.35Å; E257-R264 IonicContact OE1-NH2 3.04Å; E257-R264 PolarHBondContact OE1-NH2 3.42Å; E257-R264 IonicContact OE2-CZ 3.05Å; E257-R264 IonicContact OE2-NE 2.68Å; E257-R264 PolarHBondContact OE2-NE 2.9Å; E257-R264 IonicContact OE2-NH2 2.68Å; E257-R264 PolarHBondContact OE2-NH2 3.44Å; K262-R264 VanDerWaalsContact C-N 3.32Å; K262-R264 PolarHBondContact O-N 3.37Å; R264-H266 PolarHBondContact O-N 3.08Å; R264-F267 PolarHBondContact O-N 3.28Å
265	K	38	Very low	43.9	Very low	198 Å²	198	76.4 Å²	76.4	86%	0.861	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-18.8	-174	-73.9	-177.5	175.4	-178.8	0	114.7	V263	V263-K265 PolarHBondContact O-N 2.85Å; V263-K265 VanDerWaalsContact O-N 3.12Å
266	H	38.8	Very low	45.2	Very low	156 Å²	156	69.4 Å²	69.4	72%	0.722	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-16.1	-179.9	-61.1	-42.3	0	0	0	114.3	R264 L268	R264-H266 PolarHBondContact O-N 3.08Å; H266-L268 PolarHBondContact O-N 2.84Å
267	F	40	Very low	46.4	Very low	35 Å²	35	71.5 Å²	71.5	15%	0.154	34%	0.337	C	S	.	.			trans	-79.9	78.5	175.9	-150.3	-135.9	0	0	0	108.7	E234 F238 V263 R264 Q269 L272	E234-F267 HydrophobicContact CB-CD2 4.06Å; E234-F267 HydrophobicContact CB-CE2 4.02Å; E234-F267 HydrophobicContact CG-CD2 4.32Å; F238-F267 HydrophobicContact CB-CZ 4.08Å; F238-F267 HydrophobicContact CD2-CE1 4.37Å; F238-F267 AromaticContact CD2-CZ 3.99Å; F238-F267 HydrophobicContact CD2-CZ 3.99Å; F238-F267 HydrophobicContact CG-CZ 4.33Å; V263-F267 HydrophobicContact CG1-CB 4.42Å; R264-F267 PolarHBondContact O-N 3.28Å; F267-Q269 HydrophobicContact CB-CG 4.21Å; F267-Q269 HydrophobicContact CD1-CB 4.33Å; F267-Q269 VanDerWaalsContact CD1-CD 3.45Å; F267-Q269 HydrophobicContact CD1-CG 2.95Å; F267-Q269 HydrophobicContact CE1-CB 4.47Å; F267-Q269 HydrophobicContact CE1-CG 3.23Å; F267-Q269 HydrophobicContact CG-CG 3.67Å; F267-Q269 HydrophobicContact CZ-CG 4.18Å; F267-Q269 PolarHBondContact O-N 3.39Å; F267-L272 HydrophobicContact CE2-CD2 3.92Å; F267-L272 HydrophobicContact CZ-CD2 3.6Å
268	L	44.6	Very low	47.8	Very low	122 Å²	122	68 Å²	68	64%	0.639	32%	0.32	S	S	*	.			trans	-69.9	69.1	164.7	-80.5	164	0	0	0	107.8	H266 R270 N271	H266-L268 PolarHBondContact O-N 2.84Å; L268-R270 PolarHBondContact O-N 3.44Å; L268-N271 VanDerWaalsContact O-CB 3.31Å; L268-N271 WeakPolarHBondContact O-CB 3.27Å; L268-N271 PolarHBondContact O-N 3.43Å
269	Q	45.4	Very low	49.2	Very low	36 Å²	36	65.5 Å²	65.5	17%	0.168	31%	0.309	C	S	.	.	H	α-helix	trans	-50	-27.2	-169.5	-81.8	172.9	-20.4	0	0	115.6	P134 F267 N271 L272 A273	P134-Q269 HydrophobicContact CB-CB 3.67Å; P134-Q269 HydrophobicContact CG-CB 3.52Å; P134-Q269 HydrophobicContact CG-CG 4.37Å; P134-Q269 VanDerWaalsContact CG-OE1 3.29Å; F267-Q269 HydrophobicContact CB-CG 4.21Å; F267-Q269 HydrophobicContact CD1-CB 4.33Å; F267-Q269 VanDerWaalsContact CD1-CD 3.45Å; F267-Q269 HydrophobicContact CD1-CG 2.95Å; F267-Q269 HydrophobicContact CE1-CB 4.47Å; F267-Q269 HydrophobicContact CE1-CG 3.23Å; F267-Q269 HydrophobicContact CG-CG 3.67Å; F267-Q269 HydrophobicContact CZ-CG 4.18Å; F267-Q269 PolarHBondContact O-N 3.39Å; Q269-N271 PolarHBondContact O-N 2.88Å; Q269-L272 PolarHBondContact O-N 2.9Å; Q269-A273 PolarHBondContact O-N 3.35Å
270	R	45.2	Very low	50.9	Low	184 Å²	184	65.3 Å²	65.3	69%	0.694	31%	0.31	S	S	*	.	H	α-helix	trans	-59.4	-33.8	173.6	-72.7	-174.7	177.7	173.1	1.1	112	P134 L268 Y274	P134-R270 HydrophobicContact CB-CG 4.02Å; L268-R270 PolarHBondContact O-N 3.44Å; R270-Y274 WeakPolarHBondContact O-CB 3.34Å; R270-Y274 PolarHBondContact O-N 2.96Å
271	N	54.6	Low	52.4	Low	70 Å²	70	67.8 Å²	67.8	37%	0.374	32%	0.316	S	S	.	.	H	α-helix	trans	-67	-43.7	178.8	-69.3	-7.2	0	0	0	111.4	L268 Q269 Y274 K275	L268-N271 VanDerWaalsContact O-CB 3.31Å; L268-N271 WeakPolarHBondContact O-CB 3.27Å; L268-N271 PolarHBondContact O-N 3.43Å; Q269-N271 PolarHBondContact O-N 2.88Å; N271-Y274 PolarHBondContact O-N 2.97Å; N271-K275 VanDerWaalsContact O-CB 3.28Å; N271-K275 WeakPolarHBondContact O-CB 3.5Å; N271-K275 WeakPolarHBondContact O-CG 3.3Å; N271-K275 PolarHBondContact O-N 3.14Å
272	L	60.3	Low	54.2	Low	4 Å²	4	66.7 Å²	66.7	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-43.8	-178.8	-177.2	62.9	0	0	0	111.6	W229 V235 F238 F267 Q269 K275 L276	W229-L272 HydrophobicContact CH2-CD1 4.13Å; W229-L272 HydrophobicContact CZ2-CD1 3.84Å; V235-L272 HydrophobicContact CG2-CD1 3.99Å; F238-L272 HydrophobicContact CB-CD2 4.29Å; F238-L272 HydrophobicContact CD1-CD2 4.25Å; F238-L272 HydrophobicContact CD2-CD2 4.45Å; F238-L272 HydrophobicContact CG-CD2 4.07Å; F267-L272 HydrophobicContact CE2-CD2 3.92Å; F267-L272 HydrophobicContact CZ-CD2 3.6Å; Q269-L272 PolarHBondContact O-N 2.9Å; L272-K275 PolarHBondContact O-N 3.29Å; L272-L276 HydrophobicContact CD1-CD1 4.17Å; L272-L276 HydrophobicContact CD1-CG 4.1Å; L272-L276 HydrophobicContact CG-CD1 3.97Å; L272-L276 HydrophobicContact CG-CG 4.31Å; L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 VanDerWaalsContact O-CG 3.27Å; L272-L276 WeakPolarHBondContact O-CG 3.31Å; L272-L276 PolarHBondContact O-N 2.86Å
273	A	57.7	Low	55.9	Low	5 Å²	5	63.6 Å²	63.6	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-58.8	-49.9	177.4	0	0	0	0	0	112.7	L135 Q269 L276 S277	L135-A273 HydrophobicContact CB-CB 4.31Å; L135-A273 VanDerWaalsContact CD2-CA 3.48Å; L135-A273 HydrophobicContact CD2-CB 3.44Å; L135-A273 VanDerWaalsContact CD2-CB 3.44Å; L135-A273 HydrophobicContact CG-CB 3.75Å; Q269-A273 PolarHBondContact O-N 3.35Å; A273-L276 PolarHBondContact O-N 3.45Å; A273-S277 PolarHBondContact O-N 3.45Å
274	Y	62	Low	57.4	Low	118 Å²	118	68.7 Å²	68.7	46%	0.463	30%	0.303	S	S	.	.	H	α-helix	trans	-60	-48.9	176.9	-179.6	-108.9	0	0	0	111.1	R270 N271 L276 S277 I278	R270-Y274 WeakPolarHBondContact O-CB 3.34Å; R270-Y274 PolarHBondContact O-N 2.96Å; N271-Y274 PolarHBondContact O-N 2.97Å; Y274-L276 PolarHBondContact O-N 3.25Å; Y274-S277 WeakPolarHBondContact O-CB 3.26Å; Y274-S277 PolarHBondContact O-N 3.16Å; Y274-S277 VanDerWaalsContact O-N 3.15Å; Y274-S277 PolarHBondContact O-OG 3.42Å; Y274-I278 HydrophobicContact CD1-CD1 3.79Å; Y274-I278 HydrophobicContact CE1-CD1 3.31Å; Y274-I278 HydrophobicContact CE1-CG1 4.46Å; Y274-I278 HydrophobicContact CE2-CD1 4.16Å; Y274-I278 HydrophobicContact CG-CD1 4.4Å; Y274-I278 WeakPolarHBondContact O-CG1 3.49Å; Y274-I278 PolarHBondContact O-N 2.9Å
275	K	66.4	Low	58.9	Low	18 Å²	18	64.1 Å²	64.1	8%	0.078	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-44.1	178	-72	174.7	-175.4	-166.8	0	112.5	W229 E231 N271 L272 S277 I278 I279 A301	W229-K275 HydrophobicContact CH2-CB 3.8Å; W229-K275 HydrophobicContact CZ2-CB 3.55Å; W229-K275 HydrophobicContact CZ2-CD 3.67Å; W229-K275 HydrophobicContact CZ2-CG 4.2Å; E231-K275 IonicContact OE1-NZ 3.33Å; E231-K275 PolarHBondContact OE1-NZ 3.37Å; E231-K275 IonicContact OE2-NZ 3.76Å; E231-K275 PolarHBondContact OE2-NZ 3.05Å; N271-K275 VanDerWaalsContact O-CB 3.28Å; N271-K275 WeakPolarHBondContact O-CB 3.5Å; N271-K275 WeakPolarHBondContact O-CG 3.3Å; N271-K275 PolarHBondContact O-N 3.14Å; L272-K275 PolarHBondContact O-N 3.29Å; K275-S277 VanDerWaalsContact C-N 3.32Å; K275-S277 PolarHBondContact O-N 3.22Å; K275-I278 PolarHBondContact O-N 3.21Å; K275-I279 WeakPolarHBondContact O-CD1 3.38Å; K275-I279 VanDerWaalsContact O-CG1 3.27Å; K275-I279 WeakPolarHBondContact O-CG1 3Å; K275-I279 PolarHBondContact O-N 2.96Å; K275-A301 HydrophobicContact CG-CB 4.17Å
276	L	67.3	Low	60.3	Low	1 Å²	1	55.1 Å²	55.1	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-36.8	175.9	-72.8	175.6	0	0	0	112.6	L217 L222 W229 L272 A273 Y274 I279 G280	L217-L276 HydrophobicContact CD1-CD1 3.95Å; L217-L276 HydrophobicContact CD1-CD2 4.39Å; L217-L276 HydrophobicContact CD2-CD2 3.68Å; L217-L276 HydrophobicContact CG-CD1 4.15Å; L217-L276 HydrophobicContact CG-CD2 3.7Å; L222-L276 HydrophobicContact CD2-CD2 4.3Å; W229-L276 HydrophobicContact CH2-CD2 4.12Å; W229-L276 HydrophobicContact CZ3-CD2 4.39Å; L272-L276 HydrophobicContact CD1-CD1 4.17Å; L272-L276 HydrophobicContact CD1-CG 4.1Å; L272-L276 HydrophobicContact CG-CD1 3.97Å; L272-L276 HydrophobicContact CG-CG 4.31Å; L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 VanDerWaalsContact O-CG 3.27Å; L272-L276 WeakPolarHBondContact O-CG 3.31Å; L272-L276 PolarHBondContact O-N 2.86Å; A273-L276 PolarHBondContact O-N 3.45Å; Y274-L276 PolarHBondContact O-N 3.25Å; L276-I279 PolarHBondContact O-N 2.71Å; L276-G280 PolarHBondContact O-N 3.15Å
277	S	65.3	Low	61.9	Low	53 Å²	53	53.3 Å²	53.3	37%	0.371	24%	0.243	S	C	.	.	H	α-helix	trans	-64.9	-41.4	176	80	0	0	0	0	112.1	A273 Y274 K275 G280 Y281	A273-S277 PolarHBondContact O-N 3.45Å; Y274-S277 WeakPolarHBondContact O-CB 3.26Å; Y274-S277 PolarHBondContact O-N 3.16Å; Y274-S277 VanDerWaalsContact O-N 3.15Å; Y274-S277 PolarHBondContact O-OG 3.42Å; K275-S277 VanDerWaalsContact C-N 3.32Å; K275-S277 PolarHBondContact O-N 3.22Å; S277-G280 PolarHBondContact O-N 3.06Å; S277-Y281 WeakPolarHBondContact O-CB 3.32Å; S277-Y281 PolarHBondContact O-N 3.13Å
278	I	68	Low	63.4	Low	2 Å²	2	55 Å²	55	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-47.4	174.9	-67.2	172.4	0	0	0	109.6	Y274 K275 G280 Y281 V282 L297 A301 L306	Y274-I278 HydrophobicContact CD1-CD1 3.79Å; Y274-I278 HydrophobicContact CE1-CD1 3.31Å; Y274-I278 HydrophobicContact CE1-CG1 4.46Å; Y274-I278 HydrophobicContact CE2-CD1 4.16Å; Y274-I278 HydrophobicContact CG-CD1 4.4Å; Y274-I278 WeakPolarHBondContact O-CG1 3.49Å; Y274-I278 PolarHBondContact O-N 2.9Å; K275-I278 PolarHBondContact O-N 3.21Å; I278-G280 VanDerWaalsContact C-N 3.34Å; I278-G280 PolarHBondContact O-N 3.5Å; I278-Y281 WeakPolarHBondContact O-CA 3.23Å; I278-Y281 WeakPolarHBondContact O-CB 3.11Å; I278-Y281 PolarHBondContact O-N 3.47Å; I278-Y281 VanDerWaalsContact O-N 3.08Å; I278-V282 HydrophobicContact CG2-CG2 4.19Å; I278-V282 VanDerWaalsContact O-CG2 3.24Å; I278-V282 WeakPolarHBondContact O-CG2 3.01Å; I278-V282 PolarHBondContact O-N 2.96Å; I278-L297 HydrophobicContact CD1-CD2 4.08Å; I278-L297 HydrophobicContact CG1-CD2 3.81Å; I278-A301 HydrophobicContact CB-CB 4.47Å; I278-A301 HydrophobicContact CD1-CB 3.57Å; I278-A301 HydrophobicContact CG2-CB 4.27Å; I278-L306 HydrophobicContact CG2-CD1 3.9Å; I278-L306 HydrophobicContact CG2-CD2 4.26Å
279	I	69.2	Low	64.4	Low	1 Å²	1	50.2 Å²	50.2	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-43.8	178.5	-67	158.3	0	0	0	111.2	P216 L222 W229 K275 L276 Y281 V282 L283 F305 L306	P216-I279 HydrophobicContact CB-CG2 4.35Å; L222-I279 HydrophobicContact CD1-CD1 4.26Å; L222-I279 HydrophobicContact CD1-CG2 3.89Å; L222-I279 HydrophobicContact CD2-CG2 4Å; W229-I279 HydrophobicContact CE3-CD1 4.14Å; W229-I279 HydrophobicContact CH2-CD1 3.26Å; W229-I279 HydrophobicContact CZ2-CD1 4.44Å; W229-I279 HydrophobicContact CZ3-CD1 3.08Å; K275-I279 WeakPolarHBondContact O-CD1 3.38Å; K275-I279 VanDerWaalsContact O-CG1 3.27Å; K275-I279 WeakPolarHBondContact O-CG1 3Å; K275-I279 PolarHBondContact O-N 2.96Å; L276-I279 PolarHBondContact O-N 2.71Å; I279-Y281 VanDerWaalsContact C-N 3.26Å; I279-Y281 PolarHBondContact O-N 3.37Å; I279-V282 PolarHBondContact O-N 3.46Å; I279-L283 HydrophobicContact CG2-CD1 3.81Å; I279-L283 HydrophobicContact CG2-CG 4.19Å; I279-L283 WeakPolarHBondContact O-CB 3.49Å; I279-L283 VanDerWaalsContact O-CG 3.31Å; I279-L283 WeakPolarHBondContact O-CG 3.33Å; I279-L283 PolarHBondContact O-N 3.35Å; I279-F305 HydrophobicContact CD1-CE1 3.65Å; I279-F305 HydrophobicContact CD1-CZ 4.43Å; I279-F305 HydrophobicContact CG1-CE1 4.12Å; I279-L306 HydrophobicContact CG1-CD2 3.56Å
280	G	67.5	Low	65.3	Low	6 Å²	6	57.1 Å²	57.1	6%	0.062	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-33.8	174.8	0	0	0	0	0	112.8	L276 S277 I278 R284	L276-G280 PolarHBondContact O-N 3.15Å; S277-G280 PolarHBondContact O-N 3.06Å; I278-G280 VanDerWaalsContact C-N 3.34Å; I278-G280 PolarHBondContact O-N 3.5Å; G280-R284 WeakPolarHBondContact O-CB 3.31Å; G280-R284 VanDerWaalsContact O-CG 3.32Å; G280-R284 WeakPolarHBondContact O-CG 3.28Å; G280-R284 PolarHBondContact O-N 3.16Å; G280-R284 PolarHBondContact O-NE 3.1Å
281	Y	67.7	Low	66.6	Low	81 Å²	81	50.5 Å²	50.5	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-68.6	-47.5	172.2	179.8	-96.5	0	0	0	111.6	S277 I278 I279 L283 R284 N285 F294 L297	S277-Y281 WeakPolarHBondContact O-CB 3.32Å; S277-Y281 PolarHBondContact O-N 3.13Å; I278-Y281 WeakPolarHBondContact O-CA 3.23Å; I278-Y281 WeakPolarHBondContact O-CB 3.11Å; I278-Y281 PolarHBondContact O-N 3.47Å; I278-Y281 VanDerWaalsContact O-N 3.08Å; I279-Y281 VanDerWaalsContact C-N 3.26Å; I279-Y281 PolarHBondContact O-N 3.37Å; Y281-L283 PolarHBondContact O-N 2.68Å; Y281-R284 PolarHBondContact O-N 2.68Å; Y281-N285 VanDerWaalsContact CD2-ND2 3.28Å; Y281-N285 WeakPolarHBondContact CD2-ND2 3.36Å; Y281-N285 HydrophobicContact CE2-CB 4.49Å; Y281-N285 WeakPolarHBondContact CE2-ND2 3.25Å; Y281-N285 WeakPolarHBondContact O-CB 3.3Å; Y281-N285 PolarHBondContact O-N 3.18Å; Y281-N285 PolarHBondContact O-ND2 3.17Å; Y281-N285 VanDerWaalsContact O-ND2 3.11Å; Y281-F294 HydrophobicContact CD1-CD2 4.46Å; Y281-F294 HydrophobicContact CD1-CE2 4.47Å; Y281-F294 HydrophobicContact CE1-CD2 4.01Å; Y281-F294 HydrophobicContact CE1-CE2 4.38Å; Y281-L297 HydrophobicContact CE1-CD1 4.35Å
282	V	69.5	Low	67.3	Low	3 Å²	3	55.2 Å²	55.2	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-59.1	-43.5	177.8	167.8	0	0	0	0	112	I278 I279 F294 L298 L306 V309 V310	I278-V282 HydrophobicContact CG2-CG2 4.19Å; I278-V282 VanDerWaalsContact O-CG2 3.24Å; I278-V282 WeakPolarHBondContact O-CG2 3.01Å; I278-V282 PolarHBondContact O-N 2.96Å; I279-V282 PolarHBondContact O-N 3.46Å; V282-F294 HydrophobicContact CB-CE2 4.29Å; V282-F294 HydrophobicContact CB-CZ 4.07Å; V282-F294 HydrophobicContact CG1-CZ 3.87Å; V282-F294 HydrophobicContact CG2-CE1 4.35Å; V282-F294 HydrophobicContact CG2-CE2 3.73Å; V282-F294 HydrophobicContact CG2-CZ 3.52Å; V282-L298 HydrophobicContact CG2-CD2 4.49Å; V282-L306 HydrophobicContact CG2-CD2 4.36Å; V282-V309 HydrophobicContact CG1-CG1 4.26Å; V282-V310 HydrophobicContact CG1-CG2 3.5Å; V282-V310 VanDerWaalsContact CG1-CG2 3.5Å
283	L	68.7	Low	67.6	Low	26 Å²	26	58.1 Å²	58.1	14%	0.136	28%	0.281	C	S	.	.	H	α-helix	trans	-68	-35.6	179.3	-73.1	173.5	0	0	0	112.4	P216 D219 I279 Y281 V309 N313	P216-L283 HydrophobicContact CB-CD1 4.46Å; D219-L283 HydrophobicContact CB-CD1 4.4Å; I279-L283 HydrophobicContact CG2-CD1 3.81Å; I279-L283 HydrophobicContact CG2-CG 4.19Å; I279-L283 WeakPolarHBondContact O-CB 3.49Å; I279-L283 VanDerWaalsContact O-CG 3.31Å; I279-L283 WeakPolarHBondContact O-CG 3.33Å; I279-L283 PolarHBondContact O-N 3.35Å; Y281-L283 PolarHBondContact O-N 2.68Å; L283-V309 HydrophobicContact CD2-CG1 3.65Å; L283-V309 HydrophobicContact CG-CG1 4.14Å; L283-N313 HydrophobicContact CD2-CB 4.29Å; L283-N313 PolarHBondContact O-ND2 3.19Å
284	R	69.4	Low	68	Low	184 Å²	184	58 Å²	58	69%	0.694	28%	0.279	S	S	*	.	H	α-helix	trans	-78.7	-32.8	179.3	-76.4	-175.7	-75.6	-162.4	1.6	113.3	G280 Y281 P286	G280-R284 WeakPolarHBondContact O-CB 3.31Å; G280-R284 VanDerWaalsContact O-CG 3.32Å; G280-R284 WeakPolarHBondContact O-CG 3.28Å; G280-R284 PolarHBondContact O-N 3.16Å; G280-R284 PolarHBondContact O-NE 3.1Å; Y281-R284 PolarHBondContact O-N 2.68Å; R284-P286 WeakPolarHBondContact O-CD 3.23Å
285	N	70.7	Confident	68.2	Low	43 Å²	43	55.5 Å²	55.5	23%	0.23	27%	0.272	C	S	.	.			trans	-124.3	56	-170.8	-56.6	-69.7	0	0	0	112.5	Y281 E287 H288	Y281-N285 VanDerWaalsContact CD2-ND2 3.28Å; Y281-N285 WeakPolarHBondContact CD2-ND2 3.36Å; Y281-N285 HydrophobicContact CE2-CB 4.49Å; Y281-N285 WeakPolarHBondContact CE2-ND2 3.25Å; Y281-N285 WeakPolarHBondContact O-CB 3.3Å; Y281-N285 PolarHBondContact O-N 3.18Å; Y281-N285 PolarHBondContact O-ND2 3.17Å; Y281-N285 VanDerWaalsContact O-ND2 3.11Å; N285-E287 VanDerWaalsContact CA-OE1 3.3Å; N285-E287 WeakPolarHBondContact CA-OE1 3.46Å; N285-E287 PolarHBondContact O-N 3.04Å; N285-H288 PolarHBondContact O-N 2.72Å; N285-H288 VanDerWaalsContact O-N 3.17Å
286	P	67.5	Low	68.2	Low	9 Å²	9	61.2 Å²	61.2	6%	0.058	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-63.4	-25.6	-175.7	25.5	-33.8	0	0	0	113.8	R284 H288 S289	R284-P286 WeakPolarHBondContact O-CD 3.23Å; P286-H288 PolarHBondContact O-N 3.2Å; P286-S289 VanDerWaalsContact O-CB 3.23Å; P286-S289 WeakPolarHBondContact O-CB 3.48Å; P286-S289 PolarHBondContact O-N 2.99Å; P286-S289 PolarHBondContact O-OG 3.44Å; P286-S289 VanDerWaalsContact O-OG 3.09Å
287	E	73.2	Confident	68.1	Low	119 Å²	119	63.8 Å²	63.8	56%	0.556	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-64.3	-19.9	176	62.2	-73.9	165	0	0	113.9	N285 S289	N285-E287 VanDerWaalsContact CA-OE1 3.3Å; N285-E287 WeakPolarHBondContact CA-OE1 3.46Å; N285-E287 PolarHBondContact O-N 3.04Å; E287-S289 PolarHBondContact O-N 2.92Å
288	H	70.3	Confident	67.7	Low	69 Å²	69	61.7 Å²	61.7	32%	0.319	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-82.1	0.8	176.3	-74.8	-84.1	0	0	0	113.2	N285 P286 E290 T291 F294	N285-H288 PolarHBondContact O-N 2.72Å; N285-H288 VanDerWaalsContact O-N 3.17Å; P286-H288 PolarHBondContact O-N 3.2Å; H288-E290 PolarHBondContact O-N 3.36Å; H288-E290 VanDerWaalsContact O-N 3.09Å; H288-T291 WeakPolarHBondContact O-CB 3.46Å; H288-T291 PolarHBondContact O-N 2.83Å; H288-T291 PolarHBondContact O-OG1 3.3Å; H288-F294 HydrophobicContact CB-CD2 3.96Å; H288-F294 WeakPolarHBondContact O-CB 3.28Å; H288-F294 VanDerWaalsContact O-CG 3.28Å; H288-F294 WeakPolarHBondContact O-CG 3.42Å
289	S	66.1	Low	67.5	Low	23 Å²	23	68.2 Å²	68.2	16%	0.161	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-57.7	-27.2	-173.8	62.5	0	0	0	0	114.9	P286 E287 Q295	P286-S289 VanDerWaalsContact O-CB 3.23Å; P286-S289 WeakPolarHBondContact O-CB 3.48Å; P286-S289 PolarHBondContact O-N 2.99Å; P286-S289 PolarHBondContact O-OG 3.44Å; P286-S289 VanDerWaalsContact O-OG 3.09Å; E287-S289 PolarHBondContact O-N 2.92Å; S289-Q295 PolarHBondContact O-NE2 3Å
290	E	65.2	Low	67	Low	180 Å²	180	70.5 Å²	70.5	84%	0.841	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-91.3	-6.9	179.3	-61.1	-171.4	168.5	0	0	113.8	H288	H288-E290 PolarHBondContact O-N 3.36Å; H288-E290 VanDerWaalsContact O-N 3.09Å
291	T	71.7	Confident	66.6	Low	46 Å²	46	70.5 Å²	70.5	28%	0.282	35%	0.35	S	S	.	.	S	Bend	trans	-76.5	141.2	-179.1	62.8	0	0	0	0	111.6	H288 S293 F294 Q295	H288-T291 WeakPolarHBondContact O-CB 3.46Å; H288-T291 PolarHBondContact O-N 2.83Å; H288-T291 PolarHBondContact O-OG1 3.3Å; T291-S293 VanDerWaalsContact C-N 3.25Å; T291-S293 PolarHBondContact O-N 3.04Å; T291-S293 PolarHBondContact OG1-OG 3.18Å; T291-F294 WeakPolarHBondContact O-CA 3.24Å; T291-F294 VanDerWaalsContact O-CB 3.32Å; T291-F294 WeakPolarHBondContact O-CB 3.33Å; T291-F294 PolarHBondContact O-N 3.28Å; T291-F294 VanDerWaalsContact OG1-CB 3.3Å; T291-F294 WeakPolarHBondContact OG1-CB 3.14Å; T291-F294 PolarHBondContact OG1-N 3.42Å; T291-Q295 PolarHBondContact O-N 2.97Å; T291-Q295 VanDerWaalsContact O-N 3.13Å
292	E	70.2	Confident	66.7	Low	168 Å²	168	71.4 Å²	71.4	79%	0.785	36%	0.357	S	S	*	.	H	α-helix	trans	-55.1	-41.9	176.9	-73.4	-178	162.8	0	0	111.8	F294 Q295 E296	E292-F294 PolarHBondContact O-N 3.17Å; E292-Q295 WeakPolarHBondContact O-CB 3.23Å; E292-Q295 PolarHBondContact O-N 2.93Å; E292-E296 PolarHBondContact O-N 3.18Å
293	S	66.6	Low	66.5	Low	66 Å²	66	76.1 Å²	76.1	46%	0.462	38%	0.378	S	S	.	.	H	α-helix	trans	-58.1	-33	175.5	52.9	0	0	0	0	113.3	T291 L297	T291-S293 VanDerWaalsContact C-N 3.25Å; T291-S293 PolarHBondContact O-N 3.04Å; T291-S293 PolarHBondContact OG1-OG 3.18Å; S293-L297 PolarHBondContact O-N 3.29Å
294	F	65.9	Low	66.4	Low	3 Å²	3	82.5 Å²	82.5	1%	0.013	41%	0.409	C	S	.	.	H	α-helix	trans	-73.3	-43.7	176	-169.6	-85.7	0	0	0	110.4	Y281 V282 H288 T291 E292 E296 L297 L298 V310	Y281-F294 HydrophobicContact CD1-CD2 4.46Å; Y281-F294 HydrophobicContact CD1-CE2 4.47Å; Y281-F294 HydrophobicContact CE1-CD2 4.01Å; Y281-F294 HydrophobicContact CE1-CE2 4.38Å; V282-F294 HydrophobicContact CB-CE2 4.29Å; V282-F294 HydrophobicContact CB-CZ 4.07Å; V282-F294 HydrophobicContact CG1-CZ 3.87Å; V282-F294 HydrophobicContact CG2-CE1 4.35Å; V282-F294 HydrophobicContact CG2-CE2 3.73Å; V282-F294 HydrophobicContact CG2-CZ 3.52Å; H288-F294 HydrophobicContact CB-CD2 3.96Å; H288-F294 WeakPolarHBondContact O-CB 3.28Å; H288-F294 VanDerWaalsContact O-CG 3.28Å; H288-F294 WeakPolarHBondContact O-CG 3.42Å; T291-F294 WeakPolarHBondContact O-CA 3.24Å; T291-F294 VanDerWaalsContact O-CB 3.32Å; T291-F294 WeakPolarHBondContact O-CB 3.33Å; T291-F294 PolarHBondContact O-N 3.28Å; T291-F294 VanDerWaalsContact OG1-CB 3.3Å; T291-F294 WeakPolarHBondContact OG1-CB 3.14Å; T291-F294 PolarHBondContact OG1-N 3.42Å; E292-F294 PolarHBondContact O-N 3.17Å; F294-E296 VanDerWaalsContact C-N 3.33Å; F294-E296 PolarHBondContact O-N 3.24Å; F294-L297 VanDerWaalsContact O-CB 3.31Å; F294-L297 WeakPolarHBondContact O-CB 2.93Å; F294-L297 PolarHBondContact O-N 2.96Å; F294-L297 VanDerWaalsContact O-N 3.16Å; F294-L298 HydrophobicContact CD1-CD1 3.8Å; F294-L298 HydrophobicContact CD1-CD2 4.06Å; F294-L298 HydrophobicContact CD1-CG 3.77Å; F294-L298 HydrophobicContact CE1-CD1 3.83Å; F294-L298 HydrophobicContact CE1-CD2 3.7Å; F294-L298 HydrophobicContact CE1-CG 3.89Å; F294-L298 HydrophobicContact CZ-CD2 4.45Å; F294-L298 VanDerWaalsContact O-CG 3.26Å; F294-L298 WeakPolarHBondContact O-CG 3.29Å; F294-L298 PolarHBondContact O-N 3.09Å; F294-V310 HydrophobicContact CE1-CG2 4.28Å; F294-V310 HydrophobicContact CZ-CG2 4.04Å
295	Q	65.8	Low	66.5	Low	64 Å²	64	74.1 Å²	74.1	30%	0.299	38%	0.377	S	S	.	.	H	α-helix	trans	-59.8	-40.7	176.1	-66.6	-71.4	-38.8	0	0	112.4	S289 T291 E292 L298 E299	S289-Q295 PolarHBondContact O-NE2 3Å; T291-Q295 PolarHBondContact O-N 2.97Å; T291-Q295 VanDerWaalsContact O-N 3.13Å; E292-Q295 WeakPolarHBondContact O-CB 3.23Å; E292-Q295 PolarHBondContact O-N 2.93Å; Q295-L298 WeakPolarHBondContact O-CB 3.46Å; Q295-L298 PolarHBondContact O-N 3.35Å; Q295-L298 VanDerWaalsContact O-N 3.15Å; Q295-E299 PolarHBondContact O-N 3.01Å; Q295-E299 VanDerWaalsContact O-N 3.1Å
296	E	67.5	Low	66.3	Low	138 Å²	138	72.1 Å²	72.1	65%	0.645	37%	0.367	S	S	*	.	H	α-helix	trans	-62	-43.8	173.5	-71.2	-178.6	165.3	0	0	111.9	E292 F294 L298 E299	E292-E296 PolarHBondContact O-N 3.18Å; F294-E296 VanDerWaalsContact C-N 3.33Å; F294-E296 PolarHBondContact O-N 3.24Å; E296-L298 VanDerWaalsContact C-N 3.26Å; E296-L298 PolarHBondContact O-N 3.23Å; E296-E299 PolarHBondContact O-N 2.75Å
297	L	63.3	Low	66.5	Low	56 Å²	56	77.7 Å²	77.7	29%	0.293	39%	0.39	S	S	.	.	H	α-helix	trans	-58.2	-37.8	172.3	-95.4	155.4	0	0	0	112	I278 Y281 S293 F294 G300	I278-L297 HydrophobicContact CD1-CD2 4.08Å; I278-L297 HydrophobicContact CG1-CD2 3.81Å; Y281-L297 HydrophobicContact CE1-CD1 4.35Å; S293-L297 PolarHBondContact O-N 3.29Å; F294-L297 VanDerWaalsContact O-CB 3.31Å; F294-L297 WeakPolarHBondContact O-CB 2.93Å; F294-L297 PolarHBondContact O-N 2.96Å; F294-L297 VanDerWaalsContact O-N 3.16Å; L297-G300 PolarHBondContact O-N 3.09Å
298	L	58.3	Low	66.5	Low	8 Å²	8	75 Å²	75	4%	0.042	38%	0.377	C	S	.	.	H	α-helix	trans	-67.6	-33.1	177.5	-64.6	-175.6	0	0	0	113	V282 F294 Q295 E296 G300 A301 E302 K303 L306	V282-L298 HydrophobicContact CG2-CD2 4.49Å; F294-L298 HydrophobicContact CD1-CD1 3.8Å; F294-L298 HydrophobicContact CD1-CD2 4.06Å; F294-L298 HydrophobicContact CD1-CG 3.77Å; F294-L298 HydrophobicContact CE1-CD1 3.83Å; F294-L298 HydrophobicContact CE1-CD2 3.7Å; F294-L298 HydrophobicContact CE1-CG 3.89Å; F294-L298 HydrophobicContact CZ-CD2 4.45Å; F294-L298 VanDerWaalsContact O-CG 3.26Å; F294-L298 WeakPolarHBondContact O-CG 3.29Å; F294-L298 PolarHBondContact O-N 3.09Å; Q295-L298 WeakPolarHBondContact O-CB 3.46Å; Q295-L298 PolarHBondContact O-N 3.35Å; Q295-L298 VanDerWaalsContact O-N 3.15Å; E296-L298 VanDerWaalsContact C-N 3.26Å; E296-L298 PolarHBondContact O-N 3.23Å; L298-G300 VanDerWaalsContact C-N 3.3Å; L298-G300 PolarHBondContact O-N 2.76Å; L298-A301 PolarHBondContact O-N 3.2Å; L298-E302 CarbonylContact O-C 3.5Å; L298-E302 PolarHBondContact O-N 3.5Å; L298-E302 VanDerWaalsContact O-N 3.16Å; L298-K303 HydrophobicContact CB-CG 4.44Å; L298-K303 HydrophobicContact CD1-CG 4.47Å; L298-K303 PolarHBondContact O-N 3.09Å; L298-L306 HydrophobicContact CB-CD1 4.38Å; L298-L306 HydrophobicContact CD2-CB 3.34Å; L298-L306 HydrophobicContact CD2-CD1 3.36Å; L298-L306 HydrophobicContact CD2-CG 3.92Å; L298-L306 HydrophobicContact CG-CD1 4.47Å
299	E	63.4	Low	66.6	Low	140 Å²	140	71.7 Å²	71.7	65%	0.654	36%	0.362	S	S	*	.	H	α-helix	trans	-64.5	-35.7	179.1	-73	-178.5	176.6	0	0	111.7	Q295 E296 A301	Q295-E299 PolarHBondContact O-N 3.01Å; Q295-E299 VanDerWaalsContact O-N 3.1Å; E296-E299 PolarHBondContact O-N 2.75Å; E299-A301 PolarHBondContact O-N 2.9Å
300	G	59	Low	66.9	Low	48 Å²	48	71.2 Å²	71.2	50%	0.495	36%	0.358	S	S	.	.	H	α-helix	trans	-73.8	-18.5	178.5	0	0	0	0	0	115.7	L297 L298	L297-G300 PolarHBondContact O-N 3.09Å; L298-G300 VanDerWaalsContact C-N 3.3Å; L298-G300 PolarHBondContact O-N 2.76Å
301	A	59.5	Low	67.4	Low	7 Å²	7	66.4 Å²	66.4	6%	0.058	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	19.6	-175.5	0	0	0	0	0	114	K275 I278 L298 E299 L306	K275-A301 HydrophobicContact CG-CB 4.17Å; I278-A301 HydrophobicContact CB-CB 4.47Å; I278-A301 HydrophobicContact CD1-CB 3.57Å; I278-A301 HydrophobicContact CG2-CB 4.27Å; L298-A301 PolarHBondContact O-N 3.2Å; E299-A301 PolarHBondContact O-N 2.9Å; A301-L306 HydrophobicContact CB-CD1 3.71Å
302	E	68.6	Low	67.5	Low	99 Å²	99	65.9 Å²	65.9	46%	0.463	33%	0.334	S	S	.	.			trans	69.5	98.8	179.1	-58.7	-167.3	-150.4	0	0	115.3	P230 L298 M304 F305	P230-E302 WeakPolarHBondContact CB-OE1 3.25Å; P230-E302 WeakPolarHBondContact CB-OE2 3.38Å; P230-E302 HydrophobicContact CG-CB 4.22Å; P230-E302 HydrophobicContact CG-CG 4.22Å; P230-E302 WeakPolarHBondContact CG-OE2 3.17Å; L298-E302 CarbonylContact O-C 3.5Å; L298-E302 PolarHBondContact O-N 3.5Å; L298-E302 VanDerWaalsContact O-N 3.16Å; E302-M304 VanDerWaalsContact C-N 3.31Å; E302-M304 PolarHBondContact O-N 3.12Å; E302-M304 VanDerWaalsContact O-N 3.09Å; E302-F305 PolarHBondContact O-N 3.46Å
303	K	65.6	Low	67.4	Low	103 Å²	103	58.8 Å²	58.8	45%	0.448	30%	0.301	S	S	.	.	H	α-helix	trans	-46.9	-38.9	-174.4	-169	170.9	-172.9	156.5	0	116	L298 K307	L298-K303 HydrophobicContact CB-CG 4.44Å; L298-K303 HydrophobicContact CD1-CG 4.47Å; L298-K303 PolarHBondContact O-N 3.09Å; K303-K307 VanDerWaalsContact O-CB 3.29Å; K303-K307 WeakPolarHBondContact O-CB 3.48Å; K303-K307 PolarHBondContact O-N 2.97Å
304	M	67.7	Low	67.5	Low	159 Å²	159	59.8 Å²	59.8	78%	0.783	30%	0.299	S	S	*	.	H	α-helix	trans	-69.1	-43.2	-176.1	-84.8	-150.6	-87.2	0	0	113	E302 K307 Q308	E302-M304 VanDerWaalsContact C-N 3.31Å; E302-M304 PolarHBondContact O-N 3.12Å; E302-M304 VanDerWaalsContact O-N 3.09Å; M304-K307 PolarHBondContact O-N 3.39Å; M304-Q308 WeakPolarHBondContact O-CG 3.32Å; M304-Q308 PolarHBondContact O-N 3.32Å
305	F	69.9	Low	67.6	Low	9 Å²	9	66 Å²	66	4%	0.039	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-48.5	179.4	173.1	-99.9	0	0	0	110.7	L222 L225 W229 I279 E302 K307 Q308 V309	L222-F305 HydrophobicContact CD1-CE1 4.13Å; L222-F305 HydrophobicContact CD1-CZ 3.59Å; L225-F305 HydrophobicContact CB-CE2 4.18Å; L225-F305 WeakPolarHBondContact O-CE2 3.21Å; W229-F305 HydrophobicContact CB-CD2 4.47Å; W229-F305 HydrophobicContact CB-CE2 4.14Å; W229-F305 HydrophobicContact CD2-CE1 4.36Å; W229-F305 HydrophobicContact CD2-CZ 4.18Å; W229-F305 HydrophobicContact CE3-CD1 4.44Å; W229-F305 AromaticContact CE3-CE1 3.6Å; W229-F305 HydrophobicContact CE3-CE1 3.6Å; W229-F305 AromaticContact CE3-CE2 3.99Å; W229-F305 HydrophobicContact CE3-CE2 3.99Å; W229-F305 AromaticContact CE3-CZ 3.31Å; W229-F305 HydrophobicContact CE3-CZ 3.31Å; W229-F305 AromaticContact CZ3-CE1 3.86Å; W229-F305 HydrophobicContact CZ3-CE1 3.86Å; W229-F305 AromaticContact CZ3-CZ 3.89Å; W229-F305 HydrophobicContact CZ3-CZ 3.89Å; I279-F305 HydrophobicContact CD1-CE1 3.65Å; I279-F305 HydrophobicContact CD1-CZ 4.43Å; I279-F305 HydrophobicContact CG1-CE1 4.12Å; E302-F305 PolarHBondContact O-N 3.46Å; F305-K307 PolarHBondContact O-N 3.19Å; F305-Q308 WeakPolarHBondContact O-CB 3.48Å; F305-Q308 PolarHBondContact O-N 2.97Å; F305-Q308 VanDerWaalsContact O-N 3.16Å; F305-V309 HydrophobicContact CD1-CG2 4.28Å; F305-V309 HydrophobicContact CE1-CG2 3.83Å; F305-V309 HydrophobicContact CZ-CG2 3.98Å; F305-V309 WeakPolarHBondContact O-CG2 3.45Å; F305-V309 PolarHBondContact O-N 3.46Å
306	L	67.5	Low	67.4	Low	1 Å²	1	65.5 Å²	65.5	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-67.3	-34.8	-178.9	-67.4	169.3	0	0	0	112.8	I278 I279 V282 L298 A301 Q308 V309 V310	I278-L306 HydrophobicContact CG2-CD1 3.9Å; I278-L306 HydrophobicContact CG2-CD2 4.26Å; I279-L306 HydrophobicContact CG1-CD2 3.56Å; V282-L306 HydrophobicContact CG2-CD2 4.36Å; L298-L306 HydrophobicContact CB-CD1 4.38Å; L298-L306 HydrophobicContact CD2-CB 3.34Å; L298-L306 HydrophobicContact CD2-CD1 3.36Å; L298-L306 HydrophobicContact CD2-CG 3.92Å; L298-L306 HydrophobicContact CG-CD1 4.47Å; A301-L306 HydrophobicContact CB-CD1 3.71Å; L306-Q308 VanDerWaalsContact C-N 3.31Å; L306-Q308 PolarHBondContact O-N 2.69Å; L306-V309 WeakPolarHBondContact O-CB 3.35Å; L306-V309 PolarHBondContact O-N 3.23Å; L306-V309 VanDerWaalsContact O-N 3.14Å; L306-V310 WeakPolarHBondContact O-CG2 3.37Å; L306-V310 PolarHBondContact O-N 3.43Å
307	K	71.4	Confident	67	Low	125 Å²	125	64.3 Å²	64.3	54%	0.543	32%	0.315	S	S	.	.	H	α-helix	trans	-59.2	-42.6	171.9	-171.8	179.1	-179.5	-173.6	0	111.6	K303 M304 F305 V309 V310 E311	K303-K307 VanDerWaalsContact O-CB 3.29Å; K303-K307 WeakPolarHBondContact O-CB 3.48Å; K303-K307 PolarHBondContact O-N 2.97Å; M304-K307 PolarHBondContact O-N 3.39Å; F305-K307 PolarHBondContact O-N 3.19Å; K307-V309 VanDerWaalsContact C-N 3.33Å; K307-V309 PolarHBondContact O-N 2.97Å; K307-V310 PolarHBondContact O-N 3.07Å; K307-E311 WeakPolarHBondContact CE-OE1 3.48Å; K307-E311 WeakPolarHBondContact O-CG 3.34Å; K307-E311 PolarHBondContact O-N 3.16Å
308	Q	74	Confident	66.2	Low	62 Å²	62	70.5 Å²	70.5	29%	0.29	34%	0.335	S	S	.	.	H	α-helix	trans	-65.3	-35.4	175.1	-68.1	-178.6	2.6	0	0	112.6	L225 Y228 M304 F305 L306 S312	L225-Q308 HydrophobicContact CD2-CB 4.21Å; Y228-Q308 VanDerWaalsContact CG-OE1 3.28Å; M304-Q308 WeakPolarHBondContact O-CG 3.32Å; M304-Q308 PolarHBondContact O-N 3.32Å; F305-Q308 WeakPolarHBondContact O-CB 3.48Å; F305-Q308 PolarHBondContact O-N 2.97Å; F305-Q308 VanDerWaalsContact O-N 3.16Å; L306-Q308 VanDerWaalsContact C-N 3.31Å; L306-Q308 PolarHBondContact O-N 2.69Å; Q308-S312 WeakPolarHBondContact O-CB 3.4Å; Q308-S312 PolarHBondContact O-N 3.22Å
309	V	72	Confident	65.9	Low	0 Å²	0	78.6 Å²	78.6	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-61.8	-47	173.9	175.7	0	0	0	0	110.9	L222 L225 V282 L283 F305 L306 K307 S312 N313	L222-V309 HydrophobicContact CD1-CG2 4.34Å; L225-V309 VanDerWaalsContact CD1-CA 3.45Å; L225-V309 HydrophobicContact CD1-CB 4.07Å; L225-V309 HydrophobicContact CD1-CG2 3.6Å; V282-V309 HydrophobicContact CG1-CG1 4.26Å; L283-V309 HydrophobicContact CD2-CG1 3.65Å; L283-V309 HydrophobicContact CG-CG1 4.14Å; F305-V309 HydrophobicContact CD1-CG2 4.28Å; F305-V309 HydrophobicContact CE1-CG2 3.83Å; F305-V309 HydrophobicContact CZ-CG2 3.98Å; F305-V309 WeakPolarHBondContact O-CG2 3.45Å; F305-V309 PolarHBondContact O-N 3.46Å; L306-V309 WeakPolarHBondContact O-CB 3.35Å; L306-V309 PolarHBondContact O-N 3.23Å; L306-V309 VanDerWaalsContact O-N 3.14Å; K307-V309 VanDerWaalsContact C-N 3.33Å; K307-V309 PolarHBondContact O-N 2.97Å; V309-S312 PolarHBondContact O-N 3.14Å; V309-N313 WeakPolarHBondContact O-CB 3.49Å; V309-N313 PolarHBondContact O-N 2.8Å
310	V	71.1	Confident	65.2	Low	14 Å²	14	79.1 Å²	79.1	9%	0.085	37%	0.367	C	S	.	.	H	α-helix	trans	-60.5	-53.5	176.7	175.3	0	0	0	0	110.9	V282 F294 L306 K307 S312 N313 E314	V282-V310 HydrophobicContact CG1-CG2 3.5Å; V282-V310 VanDerWaalsContact CG1-CG2 3.5Å; F294-V310 HydrophobicContact CE1-CG2 4.28Å; F294-V310 HydrophobicContact CZ-CG2 4.04Å; L306-V310 WeakPolarHBondContact O-CG2 3.37Å; L306-V310 PolarHBondContact O-N 3.43Å; K307-V310 PolarHBondContact O-N 3.07Å; V310-S312 VanDerWaalsContact C-N 3.28Å; V310-S312 PolarHBondContact O-N 3.44Å; V310-N313 PolarHBondContact O-N 2.97Å; V310-N313 VanDerWaalsContact O-N 3.12Å; V310-E314 HydrophobicContact CG1-CG 4.47Å; V310-E314 WeakPolarHBondContact O-CG 3.31Å; V310-E314 PolarHBondContact O-N 3.34Å
311	E	76.1	Confident	64.4	Low	79 Å²	79	80.9 Å²	80.9	37%	0.369	37%	0.372	S	S	.	.	H	α-helix	trans	-59.6	-36.9	-178.9	-72.3	176.3	-171.1	0	0	112.7	K307 K315	K307-E311 WeakPolarHBondContact CE-OE1 3.48Å; K307-E311 WeakPolarHBondContact O-CG 3.34Å; K307-E311 PolarHBondContact O-N 3.16Å; E311-K315 VanDerWaalsContact O-CG 3.29Å; E311-K315 WeakPolarHBondContact O-CG 3.45Å; E311-K315 PolarHBondContact O-N 3Å
312	S	73.3	Confident	63.1	Low	34 Å²	34	83.9 Å²	83.9	24%	0.238	39%	0.387	C	S	.	.	H	α-helix	trans	-73.2	-37.4	177.9	-162.3	0	0	0	0	112	Q308 V309 V310 K315 K316	Q308-S312 WeakPolarHBondContact O-CB 3.4Å; Q308-S312 PolarHBondContact O-N 3.22Å; V309-S312 PolarHBondContact O-N 3.14Å; V310-S312 VanDerWaalsContact C-N 3.28Å; V310-S312 PolarHBondContact O-N 3.44Å; S312-K315 PolarHBondContact O-N 3.15Å; S312-K316 PolarHBondContact O-N 3.39Å; S312-K316 VanDerWaalsContact O-N 3.08Å
313	N	70.1	Confident	61.6	Low	20 Å²	20	83.4 Å²	83.4	11%	0.107	39%	0.392	C	S	.	.	H	α-helix	trans	-70.1	-39.7	177.2	-162.2	31.7	0	0	0	112.1	L283 V309 V310 K315 K316 K317	L283-N313 HydrophobicContact CD2-CB 4.29Å; L283-N313 PolarHBondContact O-ND2 3.19Å; V309-N313 WeakPolarHBondContact O-CB 3.49Å; V309-N313 PolarHBondContact O-N 2.8Å; V310-N313 PolarHBondContact O-N 2.97Å; V310-N313 VanDerWaalsContact O-N 3.12Å; N313-K315 PolarHBondContact O-N 3.49Å; N313-K316 WeakPolarHBondContact O-CB 3.41Å; N313-K316 PolarHBondContact O-N 2.99Å; N313-K316 VanDerWaalsContact O-N 3.17Å; N313-K317 PolarHBondContact O-N 2.89Å
314	E	67.7	Low	60.4	Low	86 Å²	86	84.7 Å²	84.7	40%	0.402	41%	0.408	S	S	.	.	H	α-helix	trans	-58	-48.2	171.1	-74.5	-178.8	172.4	0	0	110.8	V310 K316 K317 W318	V310-E314 HydrophobicContact CG1-CG 4.47Å; V310-E314 WeakPolarHBondContact O-CG 3.31Å; V310-E314 PolarHBondContact O-N 3.34Å; E314-K316 PolarHBondContact O-N 3.07Å; E314-K317 PolarHBondContact O-N 3.09Å; E314-K317 VanDerWaalsContact O-N 3.09Å; E314-W318 VanDerWaalsContact O-CD1 3.23Å; E314-W318 PolarHBondContact O-N 2.98Å
315	K	67.1	Low	59.1	Low	133 Å²	133	86.8 Å²	86.8	58%	0.578	41%	0.413	S	S	*	.	H	α-helix	trans	-57.1	-36	175.4	-75	170.5	-175.7	169.5	0	112.8	E311 S312 N313 R319	E311-K315 VanDerWaalsContact O-CG 3.29Å; E311-K315 WeakPolarHBondContact O-CG 3.45Å; E311-K315 PolarHBondContact O-N 3Å; S312-K315 PolarHBondContact O-N 3.15Å; N313-K315 PolarHBondContact O-N 3.49Å; K315-R319 WeakPolarHBondContact O-CG 3.43Å; K315-R319 PolarHBondContact O-N 3.47Å
316	K	63.1	Low	57.3	Low	55 Å²	55	92.3 Å²	92.3	24%	0.239	44%	0.442	C	S	.	.	H	α-helix	trans	-65.8	-48.3	172.6	-91.4	-172.7	177.5	176.6	0	112.4	D219 S220 T221 S312 N313 E314 W318 R319 H320	D219-K316 IonicContact OD1-NZ 3.63Å; S220-K316 PolarHBondContact OG-NZ 3.35Å; T221-K316 VanDerWaalsContact N-NZ 3.19Å; T221-K316 WeakPolarHBondContact OG1-CD 3.39Å; T221-K316 WeakPolarHBondContact OG1-CE 3.29Å; T221-K316 PolarHBondContact OG1-NZ 3.35Å; S312-K316 PolarHBondContact O-N 3.39Å; S312-K316 VanDerWaalsContact O-N 3.08Å; N313-K316 WeakPolarHBondContact O-CB 3.41Å; N313-K316 PolarHBondContact O-N 2.99Å; N313-K316 VanDerWaalsContact O-N 3.17Å; E314-K316 PolarHBondContact O-N 3.07Å; K316-W318 VanDerWaalsContact C-N 3.25Å; K316-W318 PolarHBondContact O-N 3.12Å; K316-R319 PolarHBondContact O-N 2.77Å; K316-R319 VanDerWaalsContact O-N 3.12Å; K316-H320 PolarHBondContact O-CD2 2.99Å; K316-H320 PolarHBondContact O-N 3.08Å
317	K	58	Low	55.6	Low	113 Å²	113	97 Å²	97	49%	0.491	46%	0.464	S	S	.	.	H	α-helix	trans	-58.5	-39.2	175.9	-75.6	-170	177.4	-173.4	0	111.5	N313 E314 H320 S321	N313-K317 PolarHBondContact O-N 2.89Å; E314-K317 PolarHBondContact O-N 3.09Å; E314-K317 VanDerWaalsContact O-N 3.09Å; K317-H320 PolarHBondContact O-N 3.23Å; K317-S321 WeakPolarHBondContact O-CB 3.2Å; K317-S321 PolarHBondContact O-N 3.41Å; K317-S321 PolarHBondContact O-OG 3.26Å
318	W	47.7	Very low	53.9	Low	185 Å²	185	102.6 Å²	102.6	70%	0.701	50%	0.499	S	S	*	.	H	α-helix	trans	-63.8	-42.4	173.7	-85.8	85.6	0	0	0	112.8	E314 K316 H320 S321 L322	E314-W318 VanDerWaalsContact O-CD1 3.23Å; E314-W318 PolarHBondContact O-N 2.98Å; K316-W318 VanDerWaalsContact C-N 3.25Å; K316-W318 PolarHBondContact O-N 3.12Å; W318-H320 PolarHBondContact O-N 3.17Å; W318-S321 VanDerWaalsContact CA-OG 3.31Å; W318-S321 WeakPolarHBondContact CA-OG 3.2Å; W318-S321 PolarHBondContact O-N 3.19Å; W318-S321 PolarHBondContact O-OG 2.97Å; W318-S321 VanDerWaalsContact O-OG 3.07Å; W318-L322 WeakPolarHBondContact O-CG 3.42Å; W318-L322 PolarHBondContact O-N 3.41Å; W318-L322 VanDerWaalsContact O-N 3.1Å
319	R	51.9	Low	52.9	Low	179 Å²	179	104.6 Å²	104.6	68%	0.675	51%	0.509	S	S	*	.	H	α-helix	trans	-62.4	-41.3	174.5	-75.4	178.8	-176.5	-167.8	0.3	112.5	K315 K316 S321 L322 Q327	K315-R319 WeakPolarHBondContact O-CG 3.43Å; K315-R319 PolarHBondContact O-N 3.47Å; K316-R319 PolarHBondContact O-N 2.77Å; K316-R319 VanDerWaalsContact O-N 3.12Å; R319-S321 VanDerWaalsContact C-N 3.34Å; R319-L322 PolarHBondContact O-N 3.1Å; R319-Q327 PolarHBondContact O-NE2 2.89Å
320	H	47.8	Very low	51.9	Low	150 Å²	150	110.1 Å²	110.1	69%	0.694	54%	0.536	S	S	*	.	H	α-helix	trans	-76	-18.1	179.2	-70	-62.7	0	0	0	114.5	K316 K317 W318	K316-H320 PolarHBondContact O-CD2 2.99Å; K316-H320 PolarHBondContact O-N 3.08Å; K317-H320 PolarHBondContact O-N 3.23Å; W318-H320 PolarHBondContact O-N 3.17Å
321	S	41.8	Very low	50.9	Low	86 Å²	86	115.4 Å²	115.4	60%	0.601	56%	0.561	S	S	*	*	H	α-helix	trans	-93	-12.8	174.5	49.5	0	0	0	0	113.5	K317 W318 R319	K317-S321 WeakPolarHBondContact O-CB 3.2Å; K317-S321 PolarHBondContact O-N 3.41Å; K317-S321 PolarHBondContact O-OG 3.26Å; W318-S321 VanDerWaalsContact CA-OG 3.31Å; W318-S321 WeakPolarHBondContact CA-OG 3.2Å; W318-S321 PolarHBondContact O-N 3.19Å; W318-S321 PolarHBondContact O-OG 2.97Å; W318-S321 VanDerWaalsContact O-OG 3.07Å; R319-S321 VanDerWaalsContact C-N 3.34Å
322	L	32.4	Very low	49.4	Very low	70 Å²	70	117.6 Å²	117.6	37%	0.366	57%	0.572	S	S	.	*	S	Bend	trans	-65.7	132.6	169.2	-79.4	163.4	0	0	0	109.6	W318 R319 V324 L326	W318-L322 WeakPolarHBondContact O-CG 3.42Å; W318-L322 PolarHBondContact O-N 3.41Å; W318-L322 VanDerWaalsContact O-N 3.1Å; R319-L322 PolarHBondContact O-N 3.1Å; L322-V324 PolarHBondContact O-N 3.5Å; L322-L326 HydrophobicContact CD2-CD1 4.15Å
323	P	37.5	Very low	47.9	Very low	88 Å²	88	122.8 Å²	122.8	57%	0.571	59%	0.593	S	S	*	*			trans	-53.4	139.3	173.7	-20.1	28.9	0	0	0	109.9	K325 L326	P323-K325 PolarHBondContact O-N 2.76Å; P323-L326 PolarHBondContact O-N 3.32Å
324	V	40.6	Very low	46.4	Very low	130 Å²	130	129.7 Å²	129.7	79%	0.788	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-46.3	-22.9	-175.6	178.7	0	0	0	0	113.9	L322 L326	L322-V324 PolarHBondContact O-N 3.5Å; V324-L326 VanDerWaalsContact C-N 3.28Å; V324-L326 PolarHBondContact O-N 2.73Å
325	K	40.2	Very low	44.9	Very low	203 Å²	203	132.8 Å²	132.8	88%	0.883	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-69.2	-10.9	175.1	-72.1	-172.2	176	-177.7	0	116.1	P323	P323-K325 PolarHBondContact O-N 2.76Å
326	L	32.7	Very low	43.2	Very low	126 Å²	126	132.8 Å²	132.8	66%	0.66	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-114.9	9	-178.9	-73.3	167	0	0	0	113.9	L322 P323 V324 L328	L322-L326 HydrophobicContact CD2-CD1 4.15Å; P323-L326 PolarHBondContact O-N 3.32Å; V324-L326 VanDerWaalsContact C-N 3.28Å; V324-L326 PolarHBondContact O-N 2.73Å; L326-L328 PolarHBondContact O-N 3.46Å
327	Q	31.8	Very low	41.5	Very low	98 Å²	98	139.3 Å²	139.3	46%	0.458	68%	0.68	S	S	.	*			trans	-96.5	70.1	172.4	-66.2	-179.6	-0.2	0	0	110.4	R319	R319-Q327 PolarHBondContact O-NE2 2.89Å
328	L	35.8	Very low	40	Very low	243 Å²	243	141.6 Å²	141.6	100%	1.272	70%	0.697	S	S	*	*			trans	-132	0	165.1	-82.4	172	0	0	0	109.8	L326	L326-L328 PolarHBondContact O-N 3.46Å

Retrieved 328 of 328 residues in 196.8 ms (Link to these results)

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