A0A077ZJU1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJU1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 318 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	29.8	Very low	30.4	Very low	235 Å²	235	116.9 Å²	116.9	100%	1.158	66%	0.661	S	S	*	*				0	92	0	-80.3	178.3	165.3	0	0	108.8
2	Y	25.5	Very low	30.5	Very low	228 Å²	228	124.8 Å²	124.8	89%	0.894	67%	0.672	S	S	*	*			trans	-151.6	102	159.6	-77.8	-73.4	0	0	0	104.9	V4	Y2-V4 PolarHBondContact O-N 2.86Å
3	S	24.9	Very low	30.6	Very low	124 Å²	124	121.2 Å²	121.2	87%	0.867	66%	0.662	S	S	*	*			trans	-93.1	87	178.2	-158.4	0	0	0	0	106.9	S5	S3-S5 PolarHBondContact O-N 3.18Å
4	V	27.3	Very low	31	Very low	101 Å²	101	119.2 Å²	119.2	61%	0.612	66%	0.661	S	S	*	*			trans	-82.9	109.5	171.2	-178.3	0	0	0	0	106.5	Y2	Y2-V4 PolarHBondContact O-N 2.86Å
5	S	32.6	Very low	31	Very low	49 Å²	49	116.6 Å²	116.6	34%	0.343	66%	0.661	S	S	.	*			trans	-70.1	135.7	177.8	72.1	0	0	0	0	109.3	S3 S7 E8	S3-S5 PolarHBondContact O-N 3.18Å; S5-S7 VanDerWaalsContact CB-OG 3.25Å; S5-S7 WeakPolarHBondContact CB-OG 3.47Å; S5-S7 PolarHBondContact O-N 3.44Å; S5-S7 PolarHBondContact OG-OG 2.91Å; S5-E8 PolarHBondContact O-N 2.87Å
6	G	30.6	Very low	31	Very low	60 Å²	60	117.8 Å²	117.8	62%	0.619	67%	0.665	S	S	*	*	H	α-helix	trans	-56.8	-14.7	175.4	0	0	0	0	0	114
7	S	34.5	Very low	30.7	Very low	83 Å²	83	117.8 Å²	117.8	58%	0.58	67%	0.671	S	S	*	*	H	α-helix	trans	-68.3	-26.2	169.9	28.5	0	0	0	0	114.6	S5 S11	S5-S7 VanDerWaalsContact CB-OG 3.25Å; S5-S7 WeakPolarHBondContact CB-OG 3.47Å; S5-S7 PolarHBondContact O-N 3.44Å; S5-S7 PolarHBondContact OG-OG 2.91Å; S7-S11 WeakPolarHBondContact O-CB 3.33Å; S7-S11 PolarHBondContact O-N 2.92Å
8	E	32.3	Very low	30.5	Very low	108 Å²	108	117 Å²	117	51%	0.505	67%	0.669	S	S	.	*	H	α-helix	trans	-76.6	-27.8	-179.6	-88.8	177.2	129.4	0	0	113.5	S5 S11 R12	S5-E8 PolarHBondContact O-N 2.87Å; E8-S11 PolarHBondContact O-N 3.13Å; E8-R12 PolarHBondContact O-N 3.35Å
9	L	31.8	Very low	30.3	Very low	103 Å²	103	117.1 Å²	117.1	54%	0.539	68%	0.677	S	S	.	*	H	α-helix	trans	-76.6	-35.5	177.5	-70.9	172.2	0	0	0	112	S11 R12	L9-S11 VanDerWaalsContact C-N 3.32Å; L9-R12 PolarHBondContact O-N 3.43Å
10	L	33.3	Very low	30.1	Very low	119 Å²	119	117.4 Å²	117.4	62%	0.623	68%	0.676	S	S	*	*	H	α-helix	trans	-67	-33.6	170.6	-77.9	161.3	0	0	0	112.2	C13 S14	L10-C13 PolarHBondContact O-N 2.67Å; L10-S14 WeakPolarHBondContact O-CB 3.39Å; L10-S14 PolarHBondContact O-N 3.14Å
11	S	32.2	Very low	29.8	Very low	76 Å²	76	122.1 Å²	122.1	53%	0.531	68%	0.682	S	S	.	*	H	α-helix	trans	-67.1	-35.5	177.3	-164.9	0	0	0	0	112.6	S7 E8 L9 C13 S14 A15	S7-S11 WeakPolarHBondContact O-CB 3.33Å; S7-S11 PolarHBondContact O-N 2.92Å; E8-S11 PolarHBondContact O-N 3.13Å; L9-S11 VanDerWaalsContact C-N 3.32Å; S11-C13 PolarHBondContact O-N 2.73Å; S11-S14 PolarHBondContact O-N 3.16Å; S11-A15 PolarHBondContact O-N 3.39Å
12	R	31.1	Very low	29.9	Very low	211 Å²	211	117.6 Å²	117.6	80%	0.796	66%	0.661	S	S	*	*	H	α-helix	trans	-71.4	-25	177	-75.1	-176.7	170.3	-167.6	-2.3	114	E8 L9	E8-R12 PolarHBondContact O-N 3.35Å; L9-R12 PolarHBondContact O-N 3.43Å
13	C	32.4	Very low	30	Very low	79 Å²	79	112.2 Å²	112.2	53%	0.534	65%	0.652	S	S	.	*	H	α-helix	trans	-85.2	-13.1	171.2	-65.5	0	0	0	0	113.6	L10 S11 R94	L10-C13 PolarHBondContact O-N 2.67Å; S11-C13 PolarHBondContact O-N 2.73Å; C13-R94 PolarHBondContact O-NH2 2.84Å
14	S	35.3	Very low	30.1	Very low	93 Å²	93	109.8 Å²	109.8	65%	0.65	64%	0.64	S	S	*	*	H	α-helix	trans	-93.2	-7.9	179.2	-175.9	0	0	0	0	113.6	L10 S11 N16	L10-S14 WeakPolarHBondContact O-CB 3.39Å; L10-S14 PolarHBondContact O-N 3.14Å; S11-S14 PolarHBondContact O-N 3.16Å; S14-N16 PolarHBondContact O-N 2.92Å; S14-N16 VanDerWaalsContact O-N 3.16Å
15	A	31.2	Very low	30.2	Very low	80 Å²	80	107.5 Å²	107.5	66%	0.661	63%	0.632	S	S	*	*			trans	-90.4	65.7	-174.5	0	0	0	0	0	112.6	S11	S11-A15 PolarHBondContact O-N 3.39Å
16	N	31	Very low	30	Very low	135 Å²	135	112.8 Å²	112.8	72%	0.722	65%	0.651	S	S	*	*			trans	-152.3	100.2	153.2	-142.8	-17.1	0	0	0	110.3	S14 T18	S14-N16 PolarHBondContact O-N 2.92Å; S14-N16 VanDerWaalsContact O-N 3.16Å; N16-T18 VanDerWaalsContact C-N 3.29Å; N16-T18 PolarHBondContact O-N 3.5Å
17	P	25.6	Very low	30.1	Very low	119 Å²	119	116.5 Å²	116.5	77%	0.773	66%	0.656	S	S	*	*			trans	-86.5	68.6	-174.5	36.1	-32.7	0	0	0	109.9	S19	P17-S19 PolarHBondContact O-N 3.44Å; P17-S19 VanDerWaalsContact O-N 3.09Å
18	T	28.3	Very low	29.9	Very low	103 Å²	103	118.6 Å²	118.6	63%	0.632	66%	0.66	S	S	*	*			trans	-87	76	165.4	-41.4	0	0	0	0	108.8	N16 L20	N16-T18 VanDerWaalsContact C-N 3.29Å; N16-T18 PolarHBondContact O-N 3.5Å; T18-L20 VanDerWaalsContact C-N 3.3Å; T18-L20 HydrophobicContact CG2-CD1 3.94Å; T18-L20 PolarHBondContact O-N 3.16Å
19	S	25.6	Very low	29.8	Very low	119 Å²	119	119.9 Å²	119.9	83%	0.832	66%	0.664	S	S	*	*			trans	-56	87.2	165.1	169.3	0	0	0	0	110.3	P17	P17-S19 PolarHBondContact O-N 3.44Å; P17-S19 VanDerWaalsContact O-N 3.09Å
20	L	25.8	Very low	29.7	Very low	122 Å²	122	124.7 Å²	124.7	64%	0.639	68%	0.681	S	S	*	*			trans	-132.3	89.2	171.1	-93.5	164	0	0	0	110.6	T18 I22	T18-L20 VanDerWaalsContact C-N 3.3Å; T18-L20 HydrophobicContact CG2-CD1 3.94Å; T18-L20 PolarHBondContact O-N 3.16Å; L20-I22 PolarHBondContact O-N 3.42Å
21	R	25.7	Very low	29.5	Very low	217 Å²	217	125.4 Å²	125.4	82%	0.819	69%	0.685	S	S	*	*			trans	63.4	41.6	144.1	-62.9	-178.4	174.3	170.1	-0.9	119.6	T23	R21-T23 PolarHBondContact O-N 2.86Å
22	I	30.3	Very low	29.3	Very low	140 Å²	140	126.8 Å²	126.8	72%	0.718	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-81.2	0.7	166.4	-59	177.1	0	0	0	112.7	L20 A24	L20-I22 PolarHBondContact O-N 3.42Å; I22-A24 VanDerWaalsContact C-N 3.27Å; I22-A24 PolarHBondContact O-N 3.32Å
23	T	28.3	Very low	29.1	Very low	115 Å²	115	124 Å²	124	71%	0.706	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-73	-15.3	178.2	-26.1	0	0	0	0	113.9	R21	R21-T23 PolarHBondContact O-N 2.86Å
24	A	27.5	Very low	29	Very low	73 Å²	73	124.9 Å²	124.9	60%	0.603	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-86.5	-25	-179.5	0	0	0	0	0	113.8	I22	I22-A24 VanDerWaalsContact C-N 3.27Å; I22-A24 PolarHBondContact O-N 3.32Å
25	A	28.7	Very low	28.6	Very low	53 Å²	53	124.2 Å²	124.2	44%	0.438	71%	0.713	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.3	-31.5	-179.5	0	0	0	0	0	112.3	N27 L28 F29	A25-N27 VanDerWaalsContact C-N 3.31Å; A25-N27 PolarHBondContact O-N 3.35Å; A25-L28 PolarHBondContact O-N 2.67Å; A25-F29 WeakPolarHBondContact O-CD2 3.32Å; A25-F29 WeakPolarHBondContact O-CE2 3.47Å
26	H	29.3	Very low	28.5	Very low	161 Å²	161	126 Å²	126	75%	0.745	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-71	-22	-175.4	-129.8	-102.3	0	0	0	114.2
27	N	30.9	Very low	28.6	Very low	138 Å²	138	129 Å²	129	74%	0.738	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-91.6	-3.7	-178.7	-74.1	-37.6	0	0	0	114.5	A25	A25-N27 VanDerWaalsContact C-N 3.31Å; A25-N27 PolarHBondContact O-N 3.35Å
28	L	30.5	Very low	28.8	Very low	127 Å²	127	134.6 Å²	134.6	67%	0.665	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-91.1	1.8	179.6	-83.1	161.5	0	0	0	114.2	A25	A25-L28 PolarHBondContact O-N 2.67Å
29	F	32	Very low	28.9	Very low	134 Å²	134	139.1 Å²	139.1	59%	0.588	75%	0.747	S	S	*	*			trans	-123	20.8	-169.4	-64.6	-75.9	0	0	0	115.9	A25 L31	A25-F29 WeakPolarHBondContact O-CD2 3.32Å; A25-F29 WeakPolarHBondContact O-CE2 3.47Å; F29-L31 VanDerWaalsContact C-N 3.26Å; F29-L31 PolarHBondContact O-N 3.34Å
30	K	28.7	Very low	29.1	Very low	205 Å²	205	141.7 Å²	141.7	89%	0.891	75%	0.751	S	S	*	*			trans	-73.9	83.2	158.3	-92.6	-177.8	175.8	177.9	0	109.2
31	L	29.2	Very low	29.4	Very low	133 Å²	133	140.8 Å²	140.8	70%	0.696	75%	0.752	S	S	*	*			trans	-74.7	127.7	164.5	-73.8	170.5	0	0	0	108.7	F29 V33	F29-L31 VanDerWaalsContact C-N 3.26Å; F29-L31 PolarHBondContact O-N 3.34Å; L31-V33 PolarHBondContact O-N 2.93Å; L31-V33 VanDerWaalsContact O-N 3.16Å
32	P	27.1	Very low	29.7	Very low	105 Å²	105	137.6 Å²	137.6	68%	0.682	75%	0.752	S	S	*	*			trans	-69	110.6	168.5	26.7	-30	0	0	0	108.9	S34	P32-S34 VanDerWaalsContact C-N 3.33Å; P32-S34 PolarHBondContact O-N 3Å; P32-S34 PolarHBondContact O-OG 2.99Å; P32-S34 VanDerWaalsContact O-OG 3.13Å
33	V	27.1	Very low	29.8	Very low	154 Å²	154	141.1 Å²	141.1	93%	0.933	76%	0.758	S	S	*	*			trans	-60.6	99.4	162.8	178.1	0	0	0	0	106.5	L31	L31-V33 PolarHBondContact O-N 2.93Å; L31-V33 VanDerWaalsContact O-N 3.16Å
34	S	30.9	Very low	30.2	Very low	97 Å²	97	142.6 Å²	142.6	68%	0.678	76%	0.76	S	S	*	*			trans	-130.1	98.7	175.6	27.4	0	0	0	0	109.4	P32	P32-S34 VanDerWaalsContact C-N 3.33Å; P32-S34 PolarHBondContact O-N 3Å; P32-S34 PolarHBondContact O-OG 2.99Å; P32-S34 VanDerWaalsContact O-OG 3.13Å
35	G	26.5	Very low	30.4	Very low	78 Å²	78	143 Å²	143	80%	0.804	76%	0.764	S	S	*	*			trans	65.6	96.9	131.4	0	0	0	0	0	117
36	S	28.9	Very low	30.7	Very low	119 Å²	119	146 Å²	146	83%	0.832	78%	0.781	S	S	*	*			trans	-157.5	84.6	153.9	164	0	0	0	0	108.9
37	E	32.7	Very low	31.1	Very low	196 Å²	196	144.9 Å²	144.9	92%	0.916	79%	0.786	S	S	*	*			trans	-154.7	135.5	133.2	-115	173.9	-178.4	0	0	111.5
38	R	29.8	Very low	31.2	Very low	238 Å²	238	143.9 Å²	143.9	90%	0.898	79%	0.79	S	S	*	*			trans	-75.1	141.2	-167.3	-61.9	166.2	178.9	170.3	-1.6	110.7
39	K	30.4	Very low	31.4	Very low	198 Å²	198	143.8 Å²	143.8	86%	0.861	80%	0.8	S	S	*	*			trans	-175.3	95.4	137.6	-103.9	169	-174.9	179.4	0	108.7
40	D	29.8	Very low	31.7	Very low	172 Å²	172	142.3 Å²	142.3	92%	0.92	81%	0.812	S	S	*	*			trans	-113.1	122.4	158.9	-83.4	-35.9	0	0	0	108
41	P	33.1	Very low	31.8	Very low	103 Å²	103	136.2 Å²	136.2	67%	0.669	81%	0.807	S	S	*	*			trans	-125.7	122.7	141.6	32.3	-18.7	0	0	0	109.7
42	N	31.7	Very low	32	Very low	150 Å²	150	134.5 Å²	134.5	80%	0.802	81%	0.806	S	S	*	*			trans	57	94.9	157.7	-60.9	-25.7	0	0	0	117.7
43	Y	32.2	Very low	32.5	Very low	215 Å²	215	138 Å²	138	84%	0.843	81%	0.813	S	S	*	*			trans	-138	96.9	145.5	-103.8	-90.7	0	0	0	109.9
44	L	37	Very low	33.1	Very low	145 Å²	145	136.5 Å²	136.5	76%	0.759	81%	0.81	S	S	*	*			trans	48.9	99.3	136.1	-56.9	174	0	0	0	116.5
45	A	32.4	Very low	33.3	Very low	82 Å²	82	137.7 Å²	137.7	68%	0.678	82%	0.818	S	S	*	*				85.8	137.3	85.7	0	0	0	0	0	114.1
46	S	35.3	Very low	33.7	Very low	116 Å²	116	139.6 Å²	139.6	81%	0.811	82%	0.819	S	S	*	*			trans	88.2	127.5	161.7	-31.9	0	0	0	0	113.8
47	V	37.4	Very low	34.1	Very low	138 Å²	138	139 Å²	139	84%	0.836	81%	0.813	S	S	*	*			cis	-157.2	138.9	18.5	175.5	0	0	0	0	108.7
48	S	32.7	Very low	34.2	Very low	117 Å²	117	137.4 Å²	137.4	82%	0.818	81%	0.81	S	S	*	*			trans	-61.9	140.6	168.5	-55.1	0	0	0	0	113.5
49	S	35.2	Very low	34.6	Very low	125 Å²	125	131.4 Å²	131.4	87%	0.874	81%	0.805	S	S	*	*			trans	-155.6	129.6	142.4	-167.3	0	0	0	0	111.4
50	A	37	Very low	35.1	Very low	103 Å²	103	130.7 Å²	130.7	85%	0.851	81%	0.805	S	S	*	*			trans	-71.1	160.2	-176.6	0	0	0	0	0	113.6
51	G	32.4	Very low	35.5	Very low	77 Å²	77	128.3 Å²	128.3	79%	0.794	80%	0.798	S	S	*	*			trans	162.8	93.6	166.7	0	0	0	0	0	113.6
52	S	33.3	Very low	36	Very low	96 Å²	96	131.6 Å²	131.6	67%	0.671	80%	0.797	S	S	*	*			trans	-53.8	155.5	179.2	-54.2	0	0	0	0	115.6
53	H	37.1	Very low	36.5	Very low	179 Å²	179	128.4 Å²	128.4	83%	0.829	79%	0.785	S	S	*	*				145.5	137.2	122.3	-67.7	-61.8	0	0	0	114.3
54	S	39.7	Very low	36.9	Very low	123 Å²	123	127.8 Å²	127.8	86%	0.86	78%	0.781	S	S	*	*			trans	93.4	106	162.4	78.3	0	0	0	0	118.7
55	S	34.4	Very low	36.8	Very low	122 Å²	122	130.4 Å²	130.4	85%	0.853	78%	0.781	S	S	*	*			trans	-71	133.4	167.2	41.3	0	0	0	0	112.7
56	S	35.9	Very low	37.3	Very low	117 Å²	117	128.4 Å²	128.4	82%	0.818	76%	0.758	S	S	*	*			trans	-127.9	122.8	153.6	-173.8	0	0	0	0	108.5
57	P	36.3	Very low	37.8	Very low	108 Å²	108	132.1 Å²	132.1	70%	0.701	75%	0.754	S	S	*	*			trans	-87.2	149.1	-178.6	34.1	-29.8	0	0	0	111.1
58	N	34.2	Very low	37.9	Very low	161 Å²	161	129.7 Å²	129.7	86%	0.861	74%	0.739	S	S	*	*			trans	74.4	66.8	163.4	-64.4	-18.4	0	0	0	119
59	S	39.8	Very low	38.3	Very low	113 Å²	113	128.3 Å²	128.3	79%	0.79	72%	0.719	S	S	*	*			trans	-127.6	92	141	63.6	0	0	0	0	108.6
60	Q	39.3	Very low	39.1	Very low	183 Å²	183	127.9 Å²	127.9	86%	0.855	70%	0.702	S	S	*	*			trans	-57.3	131.9	169.9	-88.2	-153.6	-32.3	0	0	108.8	R62	Q60-R62 PolarHBondContact O-N 2.8Å
61	P	39.8	Very low	39.6	Very low	121 Å²	121	126.1 Å²	126.1	79%	0.786	68%	0.678	S	S	*	*			trans	-67.3	97.5	175.7	26.2	-30.1	0	0	0	108.1
62	R	42.3	Very low	40.1	Very low	172 Å²	172	124.3 Å²	124.3	65%	0.649	66%	0.659	S	S	*	*			trans	-52.9	126.1	171.9	-126.2	-179.8	-164.5	-128.9	4.6	107.4	Q60 R64 E66	Q60-R62 PolarHBondContact O-N 2.8Å; R62-R64 PolarHBondContact O-N 2.99Å; R62-E66 WeakPolarHBondContact CD-OE2 3.38Å; R62-E66 IonicContact CZ-OE1 3.59Å; R62-E66 IonicContact CZ-OE2 3.23Å; R62-E66 VanDerWaalsContact CZ-OE2 3.23Å; R62-E66 IonicContact NE-OE2 3.44Å; R62-E66 PolarHBondContact NE-OE2 3.35Å; R62-E66 IonicContact NH1-OE1 2.73Å; R62-E66 PolarHBondContact NH1-OE1 2.84Å; R62-E66 IonicContact NH1-OE2 2.67Å; R62-E66 PolarHBondContact NH1-OE2 2.89Å
63	P	42.9	Very low	40.8	Very low	83 Å²	83	124.8 Å²	124.8	54%	0.539	65%	0.649	S	S	.	*			trans	-55.9	127.3	-172.4	-22.1	29.9	0	0	0	110.1	W65 E66	P63-W65 HydrophobicContact CB-CB 4.49Å; P63-W65 PolarHBondContact O-N 3.45Å; P63-E66 PolarHBondContact O-N 3.34Å
64	R	41	Very low	41.6	Very low	203 Å²	203	123.9 Å²	123.9	77%	0.766	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44	-29.7	177.1	-171.8	178.2	-179	-174.4	-0.7	112.8	R62 E66 R67	R62-R64 PolarHBondContact O-N 2.99Å; R64-E66 PolarHBondContact O-N 2.93Å; R64-R67 PolarHBondContact O-N 2.79Å
65	W	34.6	Very low	42	Very low	200 Å²	200	122.2 Å²	122.2	76%	0.758	61%	0.613	S	S	*	*	H	α-helix	trans	-58	-33.7	175.4	-57.2	104.9	0	0	0	115.5	P63 R67 V68 E69	P63-W65 HydrophobicContact CB-CB 4.49Å; P63-W65 PolarHBondContact O-N 3.45Å; W65-R67 VanDerWaalsContact C-N 3.28Å; W65-R67 PolarHBondContact O-N 2.9Å; W65-V68 PolarHBondContact O-N 3.15Å; W65-V68 VanDerWaalsContact O-N 3.16Å; W65-E69 WeakPolarHBondContact O-CB 3.49Å; W65-E69 PolarHBondContact O-N 2.86Å
66	E	43.2	Very low	42.5	Very low	40 Å²	40	118.6 Å²	118.6	19%	0.187	59%	0.585	C	S	.	*	H	α-helix	trans	-69.1	-29.4	-178.1	-160.8	-171.9	168.3	0	0	111.9	R62 P63 R64 K70	R62-E66 WeakPolarHBondContact CD-OE2 3.38Å; R62-E66 IonicContact CZ-OE1 3.59Å; R62-E66 IonicContact CZ-OE2 3.23Å; R62-E66 VanDerWaalsContact CZ-OE2 3.23Å; R62-E66 IonicContact NE-OE2 3.44Å; R62-E66 PolarHBondContact NE-OE2 3.35Å; R62-E66 IonicContact NH1-OE1 2.73Å; R62-E66 PolarHBondContact NH1-OE1 2.84Å; R62-E66 IonicContact NH1-OE2 2.67Å; R62-E66 PolarHBondContact NH1-OE2 2.89Å; P63-E66 PolarHBondContact O-N 3.34Å; R64-E66 PolarHBondContact O-N 2.93Å; E66-K70 WeakPolarHBondContact O-CB 3.43Å; E66-K70 VanDerWaalsContact O-CG 3.32Å; E66-K70 WeakPolarHBondContact O-CG 3.48Å; E66-K70 PolarHBondContact O-N 2.78Å; E66-K70 VanDerWaalsContact O-N 3.14Å; E66-K70 IonicContact OE1-NZ 3.73Å
67	R	46.4	Very low	43.3	Very low	193 Å²	193	119.3 Å²	119.3	73%	0.728	58%	0.575	S	S	*	*	H	α-helix	trans	-71.4	-41.6	171.1	-80.3	-170.1	-77.9	-135.1	-2.1	111.6	R64 W65 K70 D71	R64-R67 PolarHBondContact O-N 2.79Å; W65-R67 VanDerWaalsContact C-N 3.28Å; W65-R67 PolarHBondContact O-N 2.9Å; R67-K70 PolarHBondContact O-N 3.04Å; R67-D71 WeakPolarHBondContact O-CB 3.32Å; R67-D71 PolarHBondContact O-N 3.34Å
68	V	37.8	Very low	43.9	Very low	87 Å²	87	119.7 Å²	119.7	53%	0.527	57%	0.567	S	S	.	*	H	α-helix	trans	-63.4	-41.9	177.1	179	0	0	0	0	110.8	W65 D71 G72	W65-V68 PolarHBondContact O-N 3.15Å; W65-V68 VanDerWaalsContact O-N 3.16Å; V68-D71 PolarHBondContact O-N 3.45Å; V68-G72 PolarHBondContact O-N 3.07Å
69	E	41.8	Very low	44.6	Very low	88 Å²	88	112.9 Å²	112.9	41%	0.411	53%	0.531	S	S	.	.	H	α-helix	trans	-65.7	-44.8	177.1	-169.9	-167.4	160.3	0	0	111.8	W65 D71 G72 K73	W65-E69 WeakPolarHBondContact O-CB 3.49Å; W65-E69 PolarHBondContact O-N 2.86Å; E69-D71 VanDerWaalsContact C-N 3.35Å; E69-D71 PolarHBondContact O-N 2.89Å; E69-G72 PolarHBondContact O-N 3.38Å; E69-K73 WeakPolarHBondContact O-CB 3.19Å; E69-K73 WeakPolarHBondContact O-CG 3.23Å; E69-K73 PolarHBondContact O-N 3.12Å; E69-K73 WeakPolarHBondContact OE1-CE 3.41Å; E69-K73 IonicContact OE1-NZ 2.67Å; E69-K73 PolarHBondContact OE1-NZ 3.02Å
70	K	52.7	Low	45.1	Very low	116 Å²	116	109.5 Å²	109.5	50%	0.504	50%	0.503	S	S	.	.	H	α-helix	trans	-63.9	-39.5	176.4	-76.1	179.2	-177.8	-179.9	0	112.2	E66 R67 R74	E66-K70 WeakPolarHBondContact O-CB 3.43Å; E66-K70 VanDerWaalsContact O-CG 3.32Å; E66-K70 WeakPolarHBondContact O-CG 3.48Å; E66-K70 PolarHBondContact O-N 2.78Å; E66-K70 VanDerWaalsContact O-N 3.14Å; E66-K70 IonicContact OE1-NZ 3.73Å; R67-K70 PolarHBondContact O-N 3.04Å; K70-R74 WeakPolarHBondContact O-CB 3.26Å; K70-R74 PolarHBondContact O-N 3.38Å
71	D	47.6	Very low	45.9	Very low	67 Å²	67	105.5 Å²	105.5	36%	0.358	49%	0.491	S	S	.	.	H	α-helix	trans	-67.4	-43	175.7	-159.3	52.4	0	0	0	110.9	R67 V68 E69 K73 R74 R75	R67-D71 WeakPolarHBondContact O-CB 3.32Å; R67-D71 PolarHBondContact O-N 3.34Å; V68-D71 PolarHBondContact O-N 3.45Å; E69-D71 VanDerWaalsContact C-N 3.35Å; E69-D71 PolarHBondContact O-N 2.89Å; D71-K73 PolarHBondContact O-N 3.15Å; D71-R74 PolarHBondContact O-N 2.88Å; D71-R75 WeakPolarHBondContact O-CB 3.21Å; D71-R75 VanDerWaalsContact O-CG 3.23Å; D71-R75 WeakPolarHBondContact O-CG 3.23Å; D71-R75 PolarHBondContact O-N 3.32Å; D71-R75 IonicContact OD2-CZ 3.35Å; D71-R75 IonicContact OD2-NE 2.8Å; D71-R75 PolarHBondContact OD2-NE 2.94Å; D71-R75 IonicContact OD2-NH2 2.99Å; D71-R75 PolarHBondContact OD2-NH2 3.03Å
72	G	43.1	Very low	46.4	Very low	38 Å²	38	103.1 Å²	103.1	39%	0.392	48%	0.475	S	S	.	.	H	α-helix	trans	-58.2	-44.2	173.2	0	0	0	0	0	113	V68 E69 R75 L76	V68-G72 PolarHBondContact O-N 3.07Å; E69-G72 PolarHBondContact O-N 3.38Å; G72-R75 PolarHBondContact O-N 3.46Å; G72-L76 WeakPolarHBondContact O-CB 3.44Å; G72-L76 PolarHBondContact O-N 3.44Å
73	K	47.2	Very low	46.6	Very low	107 Å²	107	95.6 Å²	95.6	47%	0.465	45%	0.447	S	S	.	.	H	α-helix	trans	-65.5	-44.6	176.1	-75.9	179.2	-175.6	173.8	0	112.8	E69 D71 R75 L76 Q77	E69-K73 WeakPolarHBondContact O-CB 3.19Å; E69-K73 WeakPolarHBondContact O-CG 3.23Å; E69-K73 PolarHBondContact O-N 3.12Å; E69-K73 WeakPolarHBondContact OE1-CE 3.41Å; E69-K73 IonicContact OE1-NZ 2.67Å; E69-K73 PolarHBondContact OE1-NZ 3.02Å; D71-K73 PolarHBondContact O-N 3.15Å; K73-R75 VanDerWaalsContact C-N 3.28Å; K73-R75 PolarHBondContact O-N 2.94Å; K73-L76 PolarHBondContact O-N 2.94Å; K73-Q77 PolarHBondContact O-N 3.31Å
74	R	54.6	Low	46.9	Very low	160 Å²	160	98.6 Å²	98.6	60%	0.604	45%	0.454	S	S	*	.	H	α-helix	trans	-59.7	-43.5	175.6	-174.3	-165.4	-61.7	-101.9	1.5	110.5	K70 D71 Q77 Q78	K70-R74 WeakPolarHBondContact O-CB 3.26Å; K70-R74 PolarHBondContact O-N 3.38Å; D71-R74 PolarHBondContact O-N 2.88Å; R74-Q77 PolarHBondContact O-N 2.95Å; R74-Q78 WeakPolarHBondContact O-CG 3.31Å; R74-Q78 PolarHBondContact O-N 3.36Å
75	R	46.6	Very low	47.3	Very low	87 Å²	87	90.8 Å²	90.8	33%	0.328	43%	0.43	S	S	.	.	H	α-helix	trans	-62.1	-47.8	175.3	-72.1	173.3	-170.5	-94.7	0.2	110.9	D71 G72 K73 Q77 Q78 I79	D71-R75 WeakPolarHBondContact O-CB 3.21Å; D71-R75 VanDerWaalsContact O-CG 3.23Å; D71-R75 WeakPolarHBondContact O-CG 3.23Å; D71-R75 PolarHBondContact O-N 3.32Å; D71-R75 IonicContact OD2-CZ 3.35Å; D71-R75 IonicContact OD2-NE 2.8Å; D71-R75 PolarHBondContact OD2-NE 2.94Å; D71-R75 IonicContact OD2-NH2 2.99Å; D71-R75 PolarHBondContact OD2-NH2 3.03Å; G72-R75 PolarHBondContact O-N 3.46Å; K73-R75 VanDerWaalsContact C-N 3.28Å; K73-R75 PolarHBondContact O-N 2.94Å; R75-Q77 VanDerWaalsContact C-N 3.3Å; R75-Q77 PolarHBondContact O-N 3.26Å; R75-Q78 WeakPolarHBondContact O-CB 3.2Å; R75-Q78 PolarHBondContact O-N 2.92Å; R75-Q78 VanDerWaalsContact O-N 3.07Å; R75-I79 WeakPolarHBondContact O-CG1 3.47Å; R75-I79 PolarHBondContact O-N 3.26Å
76	L	45.2	Very low	48.1	Very low	47 Å²	47	86.6 Å²	86.6	25%	0.246	43%	0.427	C	S	.	.	H	α-helix	trans	-57	-41.6	176.5	-171.2	68.9	0	0	0	112.5	G72 K73 I79 L80 L238	G72-L76 WeakPolarHBondContact O-CB 3.44Å; G72-L76 PolarHBondContact O-N 3.44Å; K73-L76 PolarHBondContact O-N 2.94Å; L76-I79 WeakPolarHBondContact O-CB 3.4Å; L76-I79 PolarHBondContact O-N 3.33Å; L76-L80 HydrophobicContact CG-CD1 4.29Å; L76-L80 WeakPolarHBondContact O-CG 3.42Å; L76-L80 PolarHBondContact O-N 2.93Å; L76-L238 HydrophobicContact CD1-CD1 3.85Å; L76-L238 HydrophobicContact CD1-CD2 4.2Å
77	Q	52	Low	48.6	Very low	131 Å²	131	93.3 Å²	93.3	61%	0.612	45%	0.452	S	S	*	.	H	α-helix	trans	-64.3	-40.6	174.8	-75.3	179.4	-20.2	0	0	112.5	K73 R74 R75 I79 L80 V81	K73-Q77 PolarHBondContact O-N 3.31Å; R74-Q77 PolarHBondContact O-N 2.95Å; R75-Q77 VanDerWaalsContact C-N 3.3Å; R75-Q77 PolarHBondContact O-N 3.26Å; Q77-I79 VanDerWaalsContact C-N 3.3Å; Q77-I79 PolarHBondContact O-N 2.98Å; Q77-L80 PolarHBondContact O-N 3.28Å; Q77-V81 WeakPolarHBondContact O-CG2 3.32Å; Q77-V81 PolarHBondContact O-N 2.72Å
78	Q	50.6	Low	48.6	Very low	116 Å²	116	85.2 Å²	85.2	54%	0.542	42%	0.422	S	S	.	.	H	α-helix	trans	-63.3	-39.1	174.2	-71.2	172.9	-24.1	0	0	111.7	R74 R75 V81 V82	R74-Q78 WeakPolarHBondContact O-CG 3.31Å; R74-Q78 PolarHBondContact O-N 3.36Å; R75-Q78 WeakPolarHBondContact O-CB 3.2Å; R75-Q78 PolarHBondContact O-N 2.92Å; R75-Q78 VanDerWaalsContact O-N 3.07Å; Q78-V81 PolarHBondContact O-N 3.48Å; Q78-V82 WeakPolarHBondContact O-CG2 3.38Å; Q78-V82 PolarHBondContact O-N 2.98Å; Q78-V82 VanDerWaalsContact O-N 3.12Å
79	I	49.2	Very low	49.1	Very low	19 Å²	19	82.9 Å²	82.9	10%	0.097	42%	0.416	C	S	.	.	H	α-helix	trans	-58.5	-52.2	174.3	-65.9	174.5	0	0	0	109.6	R75 L76 Q77 V81 V82 I83 F276 L279	R75-I79 WeakPolarHBondContact O-CG1 3.47Å; R75-I79 PolarHBondContact O-N 3.26Å; L76-I79 WeakPolarHBondContact O-CB 3.4Å; L76-I79 PolarHBondContact O-N 3.33Å; Q77-I79 VanDerWaalsContact C-N 3.3Å; Q77-I79 PolarHBondContact O-N 2.98Å; I79-V81 PolarHBondContact O-N 2.93Å; I79-V82 PolarHBondContact O-N 3.46Å; I79-V82 VanDerWaalsContact O-N 3.13Å; I79-I83 HydrophobicContact CG2-CD1 3.43Å; I79-I83 VanDerWaalsContact CG2-CD1 3.43Å; I79-I83 WeakPolarHBondContact O-CD1 3.36Å; I79-I83 WeakPolarHBondContact O-CG1 3.38Å; I79-I83 PolarHBondContact O-N 3.32Å; I79-F276 HydrophobicContact CB-CD1 4.42Å; I79-F276 HydrophobicContact CB-CE1 4.15Å; I79-F276 HydrophobicContact CB-CE2 4.26Å; I79-F276 HydrophobicContact CB-CZ 4.03Å; I79-F276 HydrophobicContact CD1-CD1 3.85Å; I79-F276 HydrophobicContact CD1-CE1 4.11Å; I79-F276 HydrophobicContact CD1-CG 4.44Å; I79-F276 HydrophobicContact CG1-CD1 3.63Å; I79-F276 HydrophobicContact CG1-CE1 3.4Å; I79-F276 HydrophobicContact CG1-CE2 4.38Å; I79-F276 HydrophobicContact CG1-CG 4.27Å; I79-F276 HydrophobicContact CG1-CZ 3.77Å; I79-F276 HydrophobicContact CG2-CD1 4.14Å; I79-F276 HydrophobicContact CG2-CD2 3.7Å; I79-F276 HydrophobicContact CG2-CE1 4.23Å; I79-F276 HydrophobicContact CG2-CE2 3.73Å; I79-F276 HydrophobicContact CG2-CG 3.91Å; I79-F276 HydrophobicContact CG2-CZ 4Å; I79-L279 HydrophobicContact CD1-CD2 3.96Å
80	L	49.4	Very low	49.7	Very low	41 Å²	41	82.7 Å²	82.7	22%	0.215	42%	0.42	C	S	.	.	H	α-helix	trans	-56.4	-46.8	178.8	-74.7	163.5	0	0	0	112.4	L76 Q77 V82 I83 E84 L238 T241	L76-L80 HydrophobicContact CG-CD1 4.29Å; L76-L80 WeakPolarHBondContact O-CG 3.42Å; L76-L80 PolarHBondContact O-N 2.93Å; Q77-L80 PolarHBondContact O-N 3.28Å; L80-V82 VanDerWaalsContact C-N 3.3Å; L80-V82 PolarHBondContact O-N 3.34Å; L80-I83 PolarHBondContact O-N 3.19Å; L80-I83 VanDerWaalsContact O-N 3.16Å; L80-E84 WeakPolarHBondContact O-CB 2.96Å; L80-E84 WeakPolarHBondContact O-CG 3.37Å; L80-E84 PolarHBondContact O-N 3.45Å; L80-L238 HydrophobicContact CD2-CD1 4.47Å; L80-T241 HydrophobicContact CD2-CG2 3.26Å
81	V	55	Low	49.7	Very low	99 Å²	99	81.5 Å²	81.5	60%	0.6	42%	0.419	S	S	*	.	H	α-helix	trans	-61.4	-38	177.8	171.6	0	0	0	0	112.1	Q77 Q78 I79 S85	Q77-V81 WeakPolarHBondContact O-CG2 3.32Å; Q77-V81 PolarHBondContact O-N 2.72Å; Q78-V81 PolarHBondContact O-N 3.48Å; I79-V81 PolarHBondContact O-N 2.93Å; V81-S85 PolarHBondContact O-N 3.39Å
82	V	50.6	Low	50	Low	72 Å²	72	79.4 Å²	79.4	44%	0.436	41%	0.408	S	S	.	.	H	α-helix	trans	-68.5	-39.1	176.9	170.9	0	0	0	0	111.1	Q78 I79 L80 S85 F276	Q78-V82 WeakPolarHBondContact O-CG2 3.38Å; Q78-V82 PolarHBondContact O-N 2.98Å; Q78-V82 VanDerWaalsContact O-N 3.12Å; I79-V82 PolarHBondContact O-N 3.46Å; I79-V82 VanDerWaalsContact O-N 3.13Å; L80-V82 VanDerWaalsContact C-N 3.3Å; L80-V82 PolarHBondContact O-N 3.34Å; V82-S85 WeakPolarHBondContact O-CB 3.39Å; V82-S85 PolarHBondContact O-N 3.28Å; V82-S85 PolarHBondContact O-OG 3.07Å; V82-F276 HydrophobicContact CB-CE2 4.35Å; V82-F276 HydrophobicContact CB-CZ 4.27Å; V82-F276 HydrophobicContact CG1-CE2 4.13Å; V82-F276 HydrophobicContact CG1-CZ 4.25Å
83	I	47.5	Very low	50.6	Low	14 Å²	14	80.6 Å²	80.6	7%	0.072	40%	0.403	C	S	.	.	H	α-helix	trans	-70	-42	178.1	-72.2	152	0	0	0	112	I79 L80 S85 F88 T241 I242 F276	I79-I83 HydrophobicContact CG2-CD1 3.43Å; I79-I83 VanDerWaalsContact CG2-CD1 3.43Å; I79-I83 WeakPolarHBondContact O-CD1 3.36Å; I79-I83 WeakPolarHBondContact O-CG1 3.38Å; I79-I83 PolarHBondContact O-N 3.32Å; L80-I83 PolarHBondContact O-N 3.19Å; L80-I83 VanDerWaalsContact O-N 3.16Å; I83-S85 PolarHBondContact O-N 3.12Å; I83-F88 HydrophobicContact CG1-CD1 4.48Å; I83-F88 HydrophobicContact CG1-CD2 4.41Å; I83-F88 HydrophobicContact CG1-CE2 4.47Å; I83-F88 HydrophobicContact CG1-CG 4.42Å; I83-F88 HydrophobicContact CG2-CD1 4.15Å; I83-F88 HydrophobicContact CG2-CE1 4.48Å; I83-F88 WeakPolarHBondContact O-CB 3.45Å; I83-T241 WeakPolarHBondContact CG2-O 3.37Å; I83-I242 HydrophobicContact CD1-CB 4.02Å; I83-I242 HydrophobicContact CD1-CG1 3.58Å; I83-I242 HydrophobicContact CD1-CG2 4.04Å; I83-I242 WeakPolarHBondContact CG2-O 3.22Å; I83-F276 HydrophobicContact CD1-CD2 4.36Å; I83-F276 HydrophobicContact CD1-CE2 4.39Å; I83-F276 HydrophobicContact CG1-CE2 4.34Å
84	E	48.1	Very low	51	Low	145 Å²	145	82 Å²	82	68%	0.678	41%	0.406	S	S	*	.	H	α-helix	trans	-67.9	-13.5	176.5	-73.3	178.9	174.5	0	0	112.2	L80	L80-E84 WeakPolarHBondContact O-CB 2.96Å; L80-E84 WeakPolarHBondContact O-CG 3.37Å; L80-E84 PolarHBondContact O-N 3.45Å
85	S	50.5	Low	51.1	Low	39 Å²	39	75.4 Å²	75.4	27%	0.273	38%	0.382	S	S	.	.	S	Bend	trans	-70	137.1	172.4	84.7	0	0	0	0	110.6	V81 V82 I83 Y87 F88	V81-S85 PolarHBondContact O-N 3.39Å; V82-S85 WeakPolarHBondContact O-CB 3.39Å; V82-S85 PolarHBondContact O-N 3.28Å; V82-S85 PolarHBondContact O-OG 3.07Å; I83-S85 PolarHBondContact O-N 3.12Å; S85-Y87 PolarHBondContact O-N 3.43Å; S85-F88 PolarHBondContact O-N 3.34Å
86	T	50.3	Low	51.8	Low	112 Å²	112	72.6 Å²	72.6	69%	0.687	37%	0.371	S	S	*	.	H	α-helix	trans	-53.2	-23.8	177.4	-26.3	0	0	0	0	112.6	F88 V90	T86-F88 VanDerWaalsContact C-N 3.31Å; T86-F88 PolarHBondContact O-N 3.43Å; T86-V90 PolarHBondContact O-N 3.47Å
87	Y	54	Low	52.4	Low	182 Å²	182	72.2 Å²	72.2	71%	0.714	37%	0.37	S	S	*	.	H	α-helix	trans	-63.4	-31.8	176.7	-66.7	-82.3	0	0	0	113.4	S85 L91	S85-Y87 PolarHBondContact O-N 3.43Å; Y87-L91 WeakPolarHBondContact O-CB 3.33Å; Y87-L91 VanDerWaalsContact O-CG 3.22Å; Y87-L91 WeakPolarHBondContact O-CG 3.11Å; Y87-L91 PolarHBondContact O-N 3.26Å
88	F	46.4	Very low	52.9	Low	22 Å²	22	69.4 Å²	69.4	10%	0.096	36%	0.356	C	S	.	.	H	α-helix	trans	-68.1	-43.3	-178.5	-171.3	-103.2	0	0	0	111.9	I83 S85 T86 V90 L91 L92 I242 C274	I83-F88 HydrophobicContact CG1-CD1 4.48Å; I83-F88 HydrophobicContact CG1-CD2 4.41Å; I83-F88 HydrophobicContact CG1-CE2 4.47Å; I83-F88 HydrophobicContact CG1-CG 4.42Å; I83-F88 HydrophobicContact CG2-CD1 4.15Å; I83-F88 HydrophobicContact CG2-CE1 4.48Å; I83-F88 WeakPolarHBondContact O-CB 3.45Å; S85-F88 PolarHBondContact O-N 3.34Å; T86-F88 VanDerWaalsContact C-N 3.31Å; T86-F88 PolarHBondContact O-N 3.43Å; F88-V90 PolarHBondContact O-N 2.77Å; F88-L91 PolarHBondContact O-N 2.76Å; F88-L92 HydrophobicContact CE1-CD1 3.76Å; F88-L92 HydrophobicContact CZ-CD1 4.04Å; F88-L92 WeakPolarHBondContact O-CB 3.43Å; F88-L92 PolarHBondContact O-N 3.31Å; F88-I242 WeakPolarHBondContact CE1-O 3.14Å; F88-C274 HydrophobicContact CE2-CB 4.21Å; F88-C274 VanDerWaalsContact CE2-SG 3.54Å; F88-C274 HydrophobicContact CZ-CB 4.42Å
89	G	49.7	Very low	53.3	Low	39 Å²	39	65.1 Å²	65.1	40%	0.402	34%	0.337	S	S	.	.	H	α-helix	trans	-61.6	-42.1	176.4	0	0	0	0	0	112.8	L92 E93	G89-L92 VanDerWaalsContact O-CB 3.25Å; G89-L92 WeakPolarHBondContact O-CB 3.5Å; G89-L92 PolarHBondContact O-N 3.39Å; G89-E93 PolarHBondContact O-N 2.64Å; G89-E93 VanDerWaalsContact O-N 3.1Å
90	V	53.2	Low	53.8	Low	83 Å²	83	68.4 Å²	68.4	50%	0.503	35%	0.348	S	S	.	.	H	α-helix	trans	-65.4	-40	176.7	177.6	0	0	0	0	111.6	T86 F88 L92 R94	T86-V90 PolarHBondContact O-N 3.47Å; F88-V90 PolarHBondContact O-N 2.77Å; V90-L92 VanDerWaalsContact C-N 3.35Å; V90-R94 WeakPolarHBondContact O-CB 3.32Å; V90-R94 PolarHBondContact O-N 2.91Å
91	L	53.5	Low	54.3	Low	92 Å²	92	68.9 Å²	68.9	48%	0.482	35%	0.351	S	S	.	.	H	α-helix	trans	-65.3	-39.5	174.1	-72.8	168.5	0	0	0	111.6	Y87 F88 R94 N95	Y87-L91 WeakPolarHBondContact O-CB 3.33Å; Y87-L91 VanDerWaalsContact O-CG 3.22Å; Y87-L91 WeakPolarHBondContact O-CG 3.11Å; Y87-L91 PolarHBondContact O-N 3.26Å; F88-L91 PolarHBondContact O-N 2.76Å; L91-R94 PolarHBondContact O-N 3.45Å; L91-N95 WeakPolarHBondContact O-CB 3.42Å; L91-N95 PolarHBondContact O-N 3.41Å; L91-N95 PolarHBondContact O-ND2 3.12Å
92	L	54.2	Low	54.6	Low	22 Å²	22	68.9 Å²	68.9	12%	0.115	34%	0.344	C	S	.	.	H	α-helix	trans	-56.1	-53.5	177.3	-157.5	89.6	0	0	0	111	F88 G89 V90 N95 R96 P270	F88-L92 HydrophobicContact CE1-CD1 3.76Å; F88-L92 HydrophobicContact CZ-CD1 4.04Å; F88-L92 WeakPolarHBondContact O-CB 3.43Å; F88-L92 PolarHBondContact O-N 3.31Å; G89-L92 VanDerWaalsContact O-CB 3.25Å; G89-L92 WeakPolarHBondContact O-CB 3.5Å; G89-L92 PolarHBondContact O-N 3.39Å; V90-L92 VanDerWaalsContact C-N 3.35Å; L92-N95 PolarHBondContact O-N 3.27Å; L92-R96 WeakPolarHBondContact O-CG 3.34Å; L92-R96 PolarHBondContact O-N 3.46Å; L92-P270 HydrophobicContact CB-CB 4.35Å; L92-P270 HydrophobicContact CD1-CB 3.05Å; L92-P270 HydrophobicContact CD1-CG 3.93Å; L92-P270 HydrophobicContact CD2-CB 4.44Å; L92-P270 HydrophobicContact CG-CB 3.36Å; L92-P270 HydrophobicContact CG-CG 3.82Å
93	E	54.3	Low	55.2	Low	63 Å²	63	70.3 Å²	70.3	29%	0.294	35%	0.346	S	S	.	.	H	α-helix	trans	-69.4	-36.9	-178.1	-68.7	-54.9	145.4	0	0	112	G89 N95 R96 L97	G89-E93 PolarHBondContact O-N 2.64Å; G89-E93 VanDerWaalsContact O-N 3.1Å; E93-N95 VanDerWaalsContact C-N 3.34Å; E93-N95 PolarHBondContact O-N 3.48Å; E93-R96 PolarHBondContact O-N 2.99Å; E93-R96 IonicContact OE1-NH1 3.23Å; E93-R96 PolarHBondContact OE1-NH1 3.07Å; E93-L97 WeakPolarHBondContact O-CB 3.42Å; E93-L97 PolarHBondContact O-N 3.27Å
94	R	55.8	Low	55.5	Low	138 Å²	138	70.5 Å²	70.5	52%	0.521	35%	0.349	S	S	.	.	H	α-helix	trans	-58.8	-45.9	172.3	-176.3	179.9	-179.3	144.4	8.5	111.9	C13 V90 L91 R96 L97 E98	C13-R94 PolarHBondContact O-NH2 2.84Å; V90-R94 WeakPolarHBondContact O-CB 3.32Å; V90-R94 PolarHBondContact O-N 2.91Å; L91-R94 PolarHBondContact O-N 3.45Å; R94-R96 VanDerWaalsContact C-N 3.35Å; R94-L97 PolarHBondContact O-N 2.98Å; R94-E98 PolarHBondContact O-N 3.13Å
95	N	56.6	Low	56.1	Low	21 Å²	21	67 Å²	67	11%	0.112	34%	0.338	C	S	.	.	H	α-helix	trans	-67	-35.5	179.9	-70.1	-28.2	0	0	0	112.2	L91 L92 E93 L99 F273	L91-N95 WeakPolarHBondContact O-CB 3.42Å; L91-N95 PolarHBondContact O-N 3.41Å; L91-N95 PolarHBondContact O-ND2 3.12Å; L92-N95 PolarHBondContact O-N 3.27Å; E93-N95 VanDerWaalsContact C-N 3.34Å; E93-N95 PolarHBondContact O-N 3.48Å; N95-L99 PolarHBondContact O-N 3.1Å; N95-L99 VanDerWaalsContact O-N 3.16Å; N95-F273 HydrophobicContact CB-CB 4.01Å; N95-F273 HydrophobicContact CB-CD2 3.7Å; N95-F273 HydrophobicContact CB-CE2 4.48Å; N95-F273 HydrophobicContact CB-CG 4.09Å; N95-F273 WeakPolarHBondContact ND2-CB 3.29Å
96	R	61.7	Low	56.6	Low	27 Å²	27	66.9 Å²	66.9	10%	0.102	34%	0.343	C	S	.	.	H	α-helix	trans	-63	-48	172	-74.2	178.1	161	173.8	-9.1	111.6	L92 E93 R94 E98 L99 R100 P270	L92-R96 WeakPolarHBondContact O-CG 3.34Å; L92-R96 PolarHBondContact O-N 3.46Å; E93-R96 PolarHBondContact O-N 2.99Å; E93-R96 IonicContact OE1-NH1 3.23Å; E93-R96 PolarHBondContact OE1-NH1 3.07Å; R94-R96 VanDerWaalsContact C-N 3.35Å; R96-E98 VanDerWaalsContact C-N 3.33Å; R96-E98 PolarHBondContact O-N 3.14Å; R96-L99 PolarHBondContact O-N 3.06Å; R96-R100 WeakPolarHBondContact O-CG 3.33Å; R96-R100 PolarHBondContact O-N 3.34Å; R96-P270 HydrophobicContact CG-CG 3.73Å
97	L	57.3	Low	56.7	Low	40 Å²	40	63.2 Å²	63.2	21%	0.209	32%	0.324	C	S	.	.	H	α-helix	trans	-60.4	-44	178.4	-177.6	63.9	0	0	0	111.4	E93 R94 L99 R100 I101 V135	E93-L97 WeakPolarHBondContact O-CB 3.42Å; E93-L97 PolarHBondContact O-N 3.27Å; R94-L97 PolarHBondContact O-N 2.98Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L97-L99 PolarHBondContact O-N 2.99Å; L97-R100 PolarHBondContact O-N 3.2Å; L97-I101 HydrophobicContact CD1-CD1 4.35Å; L97-I101 HydrophobicContact CG-CD1 4.03Å; L97-I101 VanDerWaalsContact O-CG1 3.29Å; L97-I101 WeakPolarHBondContact O-CG1 3.31Å; L97-I101 PolarHBondContact O-N 2.86Å; L97-V135 HydrophobicContact CD1-CG1 3.66Å
98	E	62.7	Low	56.8	Low	71 Å²	71	56.7 Å²	56.7	33%	0.332	30%	0.303	S	S	.	.	H	α-helix	trans	-58.6	-43.5	176.9	-172.8	172.9	167.3	0	0	111.8	R94 R96 I101 Q102	R94-E98 PolarHBondContact O-N 3.13Å; R96-E98 VanDerWaalsContact C-N 3.33Å; R96-E98 PolarHBondContact O-N 3.14Å; E98-I101 PolarHBondContact O-N 2.99Å; E98-Q102 WeakPolarHBondContact O-CG 3.14Å; E98-Q102 PolarHBondContact O-N 3.21Å
99	L	60	Low	57.5	Low	27 Å²	27	60.2 Å²	60.2	14%	0.141	32%	0.322	C	S	.	.	H	α-helix	trans	-68.3	-39.3	176.6	-91.6	169.8	0	0	0	113.5	N95 R96 L97 I101 Q102 H103 A269 F273	N95-L99 PolarHBondContact O-N 3.1Å; N95-L99 VanDerWaalsContact O-N 3.16Å; R96-L99 PolarHBondContact O-N 3.06Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L97-L99 PolarHBondContact O-N 2.99Å; L99-I101 VanDerWaalsContact C-N 3.29Å; L99-I101 PolarHBondContact O-N 2.95Å; L99-Q102 PolarHBondContact O-N 3.34Å; L99-H103 WeakPolarHBondContact O-CB 3.24Å; L99-H103 PolarHBondContact O-N 2.97Å; L99-A269 HydrophobicContact CD1-CB 3.11Å; L99-A269 HydrophobicContact CG-CB 4.4Å; L99-F273 HydrophobicContact CD1-CD2 4.44Å; L99-F273 HydrophobicContact CD1-CE2 3.56Å; L99-F273 HydrophobicContact CD1-CZ 4.39Å; L99-F273 HydrophobicContact CG-CE2 3.88Å; L99-F273 HydrophobicContact CG-CZ 4.36Å
100	R	59.8	Low	57.9	Low	88 Å²	88	61 Å²	61	33%	0.332	33%	0.326	S	S	.	.	H	α-helix	trans	-59.2	-42.6	173	-73	-178.4	-175.2	156.7	5.4	111.4	R96 L97 H103 A104 E266	R96-R100 WeakPolarHBondContact O-CG 3.33Å; R96-R100 PolarHBondContact O-N 3.34Å; L97-R100 PolarHBondContact O-N 3.2Å; R100-H103 PolarHBondContact O-N 2.73Å; R100-A104 VanDerWaalsContact O-CB 3.31Å; R100-A104 WeakPolarHBondContact O-CB 3.49Å; R100-A104 PolarHBondContact O-N 3.29Å; R100-E266 IonicContact CZ-OE1 2.68Å; R100-E266 IonicContact NE-OE1 3.34Å; R100-E266 PolarHBondContact NE-OE1 3.26Å; R100-E266 IonicContact NH2-OE1 3.29Å; R100-E266 PolarHBondContact NH2-OE1 3.44Å
101	I	60.1	Low	57.9	Low	51 Å²	51	60 Å²	60	26%	0.262	32%	0.317	S	S	.	.	H	α-helix	trans	-63.5	-44	176.1	-68	166.7	0	0	0	110.7	L97 E98 L99 A104 T105	L97-I101 HydrophobicContact CD1-CD1 4.35Å; L97-I101 HydrophobicContact CG-CD1 4.03Å; L97-I101 VanDerWaalsContact O-CG1 3.29Å; L97-I101 WeakPolarHBondContact O-CG1 3.31Å; L97-I101 PolarHBondContact O-N 2.86Å; E98-I101 PolarHBondContact O-N 2.99Å; L99-I101 VanDerWaalsContact C-N 3.29Å; L99-I101 PolarHBondContact O-N 2.95Å; I101-A104 PolarHBondContact O-N 2.65Å; I101-T105 VanDerWaalsContact O-CB 3.29Å; I101-T105 WeakPolarHBondContact O-CB 3.21Å; I101-T105 PolarHBondContact O-N 3.42Å; I101-T105 PolarHBondContact O-OG1 3.2Å
102	Q	61.4	Low	58	Low	98 Å²	98	62 Å²	62	46%	0.458	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-44.3	176.7	-74.3	177.6	-3.8	0	0	111.9	E98 L99 T105 G106	E98-Q102 WeakPolarHBondContact O-CG 3.14Å; E98-Q102 PolarHBondContact O-N 3.21Å; L99-Q102 PolarHBondContact O-N 3.34Å; Q102-T105 PolarHBondContact O-N 2.87Å; Q102-G106 PolarHBondContact O-N 3.49Å
103	H	61.6	Low	58.3	Low	103 Å²	103	70 Å²	70	48%	0.477	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-47.6	177.9	-174.9	-104.4	0	0	0	111.5	L99 R100 T105 G106 A107 L262	L99-H103 WeakPolarHBondContact O-CB 3.24Å; L99-H103 PolarHBondContact O-N 2.97Å; R100-H103 PolarHBondContact O-N 2.73Å; H103-T105 VanDerWaalsContact C-N 3.29Å; H103-T105 PolarHBondContact O-N 3.2Å; H103-G106 PolarHBondContact O-N 3.03Å; H103-A107 WeakPolarHBondContact O-CB 3.01Å; H103-A107 PolarHBondContact O-N 3.44Å; H103-L262 WeakPolarHBondContact NE2-CD2 3.32Å
104	A	55.1	Low	58.4	Low	18 Å²	18	72.1 Å²	72.1	15%	0.149	37%	0.37	C	S	.	.	H	α-helix	trans	-58.1	-42.8	174.9	0	0	0	0	0	111.5	R100 I101 A107 V108 L128 L132	R100-A104 VanDerWaalsContact O-CB 3.31Å; R100-A104 WeakPolarHBondContact O-CB 3.49Å; R100-A104 PolarHBondContact O-N 3.29Å; I101-A104 PolarHBondContact O-N 2.65Å; A104-A107 PolarHBondContact O-N 2.81Å; A104-V108 WeakPolarHBondContact O-CG2 3.19Å; A104-V108 PolarHBondContact O-N 2.79Å; A104-L128 HydrophobicContact CB-CD2 4.43Å; A104-L132 HydrophobicContact CB-CD1 3.77Å
105	T	59.4	Low	58.2	Low	70 Å²	70	68.1 Å²	68.1	43%	0.429	36%	0.356	S	S	.	.	H	α-helix	trans	-63.9	-44.1	176.6	-57.2	0	0	0	0	111.6	I101 Q102 H103 V108 L109	I101-T105 VanDerWaalsContact O-CB 3.29Å; I101-T105 WeakPolarHBondContact O-CB 3.21Å; I101-T105 PolarHBondContact O-N 3.42Å; I101-T105 PolarHBondContact O-OG1 3.2Å; Q102-T105 PolarHBondContact O-N 2.87Å; H103-T105 VanDerWaalsContact C-N 3.29Å; H103-T105 PolarHBondContact O-N 3.2Å; T105-V108 PolarHBondContact O-N 3.32Å; T105-L109 HydrophobicContact CG2-CD1 4.31Å; T105-L109 WeakPolarHBondContact O-CG 3.35Å; T105-L109 PolarHBondContact O-N 2.79Å
106	G	61.1	Low	58.2	Low	38 Å²	38	74.7 Å²	74.7	39%	0.392	39%	0.391	S	S	.	.	H	α-helix	trans	-61.4	-43.8	175.5	0	0	0	0	0	112.3	Q102 H103 L109 A110	Q102-G106 PolarHBondContact O-N 3.49Å; H103-G106 PolarHBondContact O-N 3.03Å; G106-L109 PolarHBondContact O-N 3.35Å; G106-A110 WeakPolarHBondContact O-CB 3.49Å; G106-A110 PolarHBondContact O-N 2.85Å
107	A	54	Low	57.9	Low	35 Å²	35	79.4 Å²	79.4	29%	0.289	41%	0.414	S	S	.	.	H	α-helix	trans	-62.4	-44.6	175.5	0	0	0	0	0	111.7	H103 A104 L109 A110 L111	H103-A107 WeakPolarHBondContact O-CB 3.01Å; H103-A107 PolarHBondContact O-N 3.44Å; A104-A107 PolarHBondContact O-N 2.81Å; A107-L109 VanDerWaalsContact C-N 3.33Å; A107-L109 PolarHBondContact O-N 3.02Å; A107-A110 PolarHBondContact O-N 2.93Å; A107-L111 VanDerWaalsContact O-CB 3.26Å; A107-L111 WeakPolarHBondContact O-CB 3.39Å; A107-L111 VanDerWaalsContact O-CG 3.25Å; A107-L111 WeakPolarHBondContact O-CG 3.33Å; A107-L111 PolarHBondContact O-N 2.93Å
108	V	55.5	Low	57.9	Low	44 Å²	44	81.7 Å²	81.7	27%	0.267	43%	0.431	S	S	.	.	H	α-helix	trans	-58.8	-44.5	174.5	175.6	0	0	0	0	111.2	A104 T105 L111 R112 L128	A104-V108 WeakPolarHBondContact O-CG2 3.19Å; A104-V108 PolarHBondContact O-N 2.79Å; T105-V108 PolarHBondContact O-N 3.32Å; V108-L111 PolarHBondContact O-N 3.05Å; V108-R112 WeakPolarHBondContact O-CB 3.1Å; V108-R112 PolarHBondContact O-N 3.38Å; V108-L128 HydrophobicContact CG2-CB 4.37Å; V108-L128 HydrophobicContact CG2-CD1 3.58Å; V108-L128 HydrophobicContact CG2-CD2 3.75Å; V108-L128 HydrophobicContact CG2-CG 4.09Å
109	L	60	Low	57.6	Low	96 Å²	96	85.1 Å²	85.1	50%	0.503	45%	0.451	S	S	.	.	H	α-helix	trans	-68.4	-37	179.4	-72	174.7	0	0	0	112.5	T105 G106 A107 R112 K113	T105-L109 HydrophobicContact CG2-CD1 4.31Å; T105-L109 WeakPolarHBondContact O-CG 3.35Å; T105-L109 PolarHBondContact O-N 2.79Å; G106-L109 PolarHBondContact O-N 3.35Å; A107-L109 VanDerWaalsContact C-N 3.33Å; A107-L109 PolarHBondContact O-N 3.02Å; L109-R112 PolarHBondContact O-N 3.44Å; L109-K113 PolarHBondContact O-N 3.46Å
110	A	58	Low	57.5	Low	57 Å²	57	88.9 Å²	88.9	47%	0.471	47%	0.468	S	S	.	.	H	α-helix	trans	-65.1	-48.2	174.1	0	0	0	0	0	110.7	G106 A107 R112 K113 T114	G106-A110 WeakPolarHBondContact O-CB 3.49Å; G106-A110 PolarHBondContact O-N 2.85Å; A107-A110 PolarHBondContact O-N 2.93Å; A110-R112 VanDerWaalsContact C-N 3.3Å; A110-R112 PolarHBondContact O-N 3.16Å; A110-K113 WeakPolarHBondContact O-CB 3.25Å; A110-K113 PolarHBondContact O-N 3.35Å; A110-T114 PolarHBondContact O-N 2.74Å; A110-T114 PolarHBondContact O-OG1 3.34Å
111	L	53.9	Low	57.1	Low	62 Å²	62	86.6 Å²	86.6	33%	0.325	46%	0.461	S	S	.	.	H	α-helix	trans	-57.2	-42.4	174.6	-78.7	175.4	0	0	0	112	A107 V108 K113 T114 F115 L124 L128	A107-L111 VanDerWaalsContact O-CB 3.26Å; A107-L111 WeakPolarHBondContact O-CB 3.39Å; A107-L111 VanDerWaalsContact O-CG 3.25Å; A107-L111 WeakPolarHBondContact O-CG 3.33Å; A107-L111 PolarHBondContact O-N 2.93Å; V108-L111 PolarHBondContact O-N 3.05Å; L111-K113 PolarHBondContact O-N 3.22Å; L111-T114 PolarHBondContact O-N 3.27Å; L111-T114 PolarHBondContact O-OG1 2.78Å; L111-F115 HydrophobicContact CB-CD2 4.29Å; L111-F115 HydrophobicContact CB-CE2 3.81Å; L111-F115 HydrophobicContact CD2-CE2 3.87Å; L111-F115 HydrophobicContact CD2-CZ 4.21Å; L111-F115 HydrophobicContact CG-CE2 4.35Å; L111-F115 WeakPolarHBondContact O-CD2 3.26Å; L111-F115 WeakPolarHBondContact O-CE2 3.4Å; L111-F115 PolarHBondContact O-N 3.27Å; L111-L124 HydrophobicContact CD1-CD1 4.45Å; L111-L128 HydrophobicContact CD1-CD1 4.44Å
112	R	55.5	Low	57	Low	134 Å²	134	89.4 Å²	89.4	51%	0.506	48%	0.475	S	S	.	.	H	α-helix	trans	-59.4	-30.4	176.3	-166	179.6	-151.9	-147.2	-4.1	113.2	V108 L109 A110 T114 E121	V108-R112 WeakPolarHBondContact O-CB 3.1Å; V108-R112 PolarHBondContact O-N 3.38Å; L109-R112 PolarHBondContact O-N 3.44Å; A110-R112 VanDerWaalsContact C-N 3.3Å; A110-R112 PolarHBondContact O-N 3.16Å; R112-T114 VanDerWaalsContact C-N 3.31Å; R112-E121 IonicContact CZ-OE1 2.99Å; R112-E121 IonicContact NE-OE1 2.72Å; R112-E121 PolarHBondContact NE-OE1 2.62Å; R112-E121 IonicContact NH2-OE1 3.19Å; R112-E121 PolarHBondContact NH2-OE1 3.34Å
113	K	60.2	Low	56.8	Low	189 Å²	189	94 Å²	94	82%	0.822	49%	0.489	S	S	*	.	H	α-helix	trans	-74.7	-22.3	174.8	-69.5	178.1	179.9	179.9	0	112.7	L109 A110 L111	L109-K113 PolarHBondContact O-N 3.46Å; A110-K113 WeakPolarHBondContact O-CB 3.25Å; A110-K113 PolarHBondContact O-N 3.35Å; L111-K113 PolarHBondContact O-N 3.22Å
114	T	57.7	Low	56.4	Low	108 Å²	108	91.6 Å²	91.6	66%	0.663	48%	0.479	S	S	*	.	H	α-helix	trans	-92	-15.7	-178.5	-10.6	0	0	0	0	113.4	A110 L111 R112	A110-T114 PolarHBondContact O-N 2.74Å; A110-T114 PolarHBondContact O-OG1 3.34Å; L111-T114 PolarHBondContact O-N 3.27Å; L111-T114 PolarHBondContact O-OG1 2.78Å; R112-T114 VanDerWaalsContact C-N 3.31Å
115	F	49.7	Very low	56.3	Low	54 Å²	54	96.8 Å²	96.8	24%	0.237	50%	0.495	C	S	.	.			trans	-97.7	107.2	-179.2	-66.9	-59.4	0	0	0	112.6	L111 H117 Q120 L124	L111-F115 HydrophobicContact CB-CD2 4.29Å; L111-F115 HydrophobicContact CB-CE2 3.81Å; L111-F115 HydrophobicContact CD2-CE2 3.87Å; L111-F115 HydrophobicContact CD2-CZ 4.21Å; L111-F115 HydrophobicContact CG-CE2 4.35Å; L111-F115 WeakPolarHBondContact O-CD2 3.26Å; L111-F115 WeakPolarHBondContact O-CE2 3.4Å; L111-F115 PolarHBondContact O-N 3.27Å; F115-H117 PolarHBondContact O-N 3.24Å; F115-Q120 HydrophobicContact CD1-CB 3.66Å; F115-Q120 HydrophobicContact CD1-CG 4.42Å; F115-Q120 HydrophobicContact CE1-CB 3.86Å; F115-Q120 HydrophobicContact CE1-CG 4.4Å; F115-Q120 HydrophobicContact CG-CB 4.2Å; F115-L124 HydrophobicContact CD2-CD1 4.03Å; F115-L124 HydrophobicContact CE1-CD1 4.24Å; F115-L124 HydrophobicContact CE2-CD1 3.06Å; F115-L124 HydrophobicContact CZ-CD1 3.2Å
116	D	57.1	Low	56.4	Low	159 Å²	159	102.1 Å²	102.1	85%	0.85	51%	0.507	S	S	*	.	S	Bend	trans	-72	-12	165	-83.1	-32	0	0	0	112.8
117	H	55.6	Low	55.9	Low	126 Å²	126	104.2 Å²	104.2	58%	0.583	51%	0.509	S	S	*	.			trans	-115.7	120	-172.8	-70.3	-41.5	0	0	0	113.4	F115 L119 Q120	F115-H117 PolarHBondContact O-N 3.24Å; H117-L119 PolarHBondContact O-N 3.48Å; H117-L119 VanDerWaalsContact O-N 3.1Å; H117-Q120 PolarHBondContact O-N 3.08Å
118	P	58	Low	55.8	Low	88 Å²	88	104 Å²	104	57%	0.571	50%	0.503	S	S	*	.	H	α-helix	trans	-64.8	-18.8	-176.3	23.6	-32.6	0	0	0	114	I122	P118-I122 WeakPolarHBondContact O-CG1 3.36Å; P118-I122 PolarHBondContact O-N 3.42Å
119	L	57	Low	55.5	Low	142 Å²	142	105.1 Å²	105.1	74%	0.743	51%	0.513	S	S	*	.	H	α-helix	trans	-75.8	-33.4	179.4	-67.5	176	0	0	0	113.4	H117 I122 R123	H117-L119 PolarHBondContact O-N 3.48Å; H117-L119 VanDerWaalsContact O-N 3.1Å; L119-I122 HydrophobicContact CD2-CD1 4.48Å; L119-R123 PolarHBondContact O-N 3.11Å
120	Q	58	Low	55	Low	106 Å²	106	105.3 Å²	105.3	50%	0.495	51%	0.513	S	S	.	.	H	α-helix	trans	-71.7	-35.3	174.5	-80.9	178.4	-5.4	0	0	111.2	F115 H117 I122 R123 L124	F115-Q120 HydrophobicContact CD1-CB 3.66Å; F115-Q120 HydrophobicContact CD1-CG 4.42Å; F115-Q120 HydrophobicContact CE1-CB 3.86Å; F115-Q120 HydrophobicContact CE1-CG 4.4Å; F115-Q120 HydrophobicContact CG-CB 4.2Å; H117-Q120 PolarHBondContact O-N 3.08Å; Q120-I122 VanDerWaalsContact C-N 3.34Å; Q120-I122 PolarHBondContact O-N 2.84Å; Q120-R123 PolarHBondContact O-N 2.83Å; Q120-L124 PolarHBondContact O-N 3.11Å; Q120-L124 VanDerWaalsContact O-N 3.12Å
121	E	50.6	Low	54.6	Low	41 Å²	41	108.7 Å²	108.7	19%	0.192	52%	0.519	C	S	.	.	H	α-helix	trans	-59.5	-41.4	173.2	-173.6	-179.5	-176.9	0	0	112.1	R112 R125	R112-E121 IonicContact CZ-OE1 2.99Å; R112-E121 IonicContact NE-OE1 2.72Å; R112-E121 PolarHBondContact NE-OE1 2.62Å; R112-E121 IonicContact NH2-OE1 3.19Å; R112-E121 PolarHBondContact NH2-OE1 3.34Å; E121-R125 HydrophobicContact CG-CG 4.46Å; E121-R125 WeakPolarHBondContact O-CB 3.42Å; E121-R125 VanDerWaalsContact O-CG 3.27Å; E121-R125 WeakPolarHBondContact O-CG 3.27Å; E121-R125 PolarHBondContact O-N 3.31Å; E121-R125 IonicContact OE1-CZ 2.77Å; E121-R125 IonicContact OE1-NE 3.54Å; E121-R125 PolarHBondContact OE1-NE 2.86Å; E121-R125 IonicContact OE1-NH2 3.1Å; E121-R125 PolarHBondContact OE1-NH2 3.26Å
122	I	58	Low	54.5	Low	110 Å²	110	108.2 Å²	108.2	56%	0.564	52%	0.517	S	S	*	.	H	α-helix	trans	-66.5	-40.9	-179.8	-67.8	164.4	0	0	0	111.6	P118 L119 Q120 R126	P118-I122 WeakPolarHBondContact O-CG1 3.36Å; P118-I122 PolarHBondContact O-N 3.42Å; L119-I122 HydrophobicContact CD2-CD1 4.48Å; Q120-I122 VanDerWaalsContact C-N 3.34Å; Q120-I122 PolarHBondContact O-N 2.84Å; I122-R126 PolarHBondContact O-N 2.97Å; I122-R126 VanDerWaalsContact O-N 3.16Å
123	R	57.6	Low	54.1	Low	194 Å²	194	106.7 Å²	106.7	73%	0.732	52%	0.519	S	S	*	.	H	α-helix	trans	-66.1	-46.5	-179.6	-155.6	172.1	-172.1	176.2	1.3	110.8	L119 Q120 R126 D127	L119-R123 PolarHBondContact O-N 3.11Å; Q120-R123 PolarHBondContact O-N 2.83Å; R123-R126 WeakPolarHBondContact O-CB 2.99Å; R123-R126 PolarHBondContact O-N 3.28Å; R123-D127 VanDerWaalsContact O-CG 3.31Å; R123-D127 PolarHBondContact O-N 3.09Å
124	L	53.2	Low	53.6	Low	52 Å²	52	100 Å²	100	27%	0.272	50%	0.498	S	S	.	.	H	α-helix	trans	-67.2	-38.7	177.7	-74.2	164.5	0	0	0	113.1	L111 F115 Q120 R126 D127 L128	L111-L124 HydrophobicContact CD1-CD1 4.45Å; F115-L124 HydrophobicContact CD2-CD1 4.03Å; F115-L124 HydrophobicContact CE1-CD1 4.24Å; F115-L124 HydrophobicContact CE2-CD1 3.06Å; F115-L124 HydrophobicContact CZ-CD1 3.2Å; Q120-L124 PolarHBondContact O-N 3.11Å; Q120-L124 VanDerWaalsContact O-N 3.12Å; L124-R126 PolarHBondContact O-N 3.34Å; L124-D127 PolarHBondContact O-N 2.87Å; L124-L128 HydrophobicContact CB-CD1 4.37Å; L124-L128 WeakPolarHBondContact O-CB 2.96Å; L124-L128 WeakPolarHBondContact O-CD1 3.42Å; L124-L128 PolarHBondContact O-N 2.78Å
125	R	53	Low	53.3	Low	127 Å²	127	96.7 Å²	96.7	48%	0.479	48%	0.478	S	S	.	.	H	α-helix	trans	-58.3	-38.1	172.7	-80.9	-178.3	-176	-156.1	4.2	112.2	E121 S129	E121-R125 HydrophobicContact CG-CG 4.46Å; E121-R125 WeakPolarHBondContact O-CB 3.42Å; E121-R125 VanDerWaalsContact O-CG 3.27Å; E121-R125 WeakPolarHBondContact O-CG 3.27Å; E121-R125 PolarHBondContact O-N 3.31Å; E121-R125 IonicContact OE1-CZ 2.77Å; E121-R125 IonicContact OE1-NE 3.54Å; E121-R125 PolarHBondContact OE1-NE 2.86Å; E121-R125 IonicContact OE1-NH2 3.1Å; E121-R125 PolarHBondContact OE1-NH2 3.26Å; R125-S129 WeakPolarHBondContact O-CB 3.05Å; R125-S129 PolarHBondContact O-N 3.22Å
126	R	61	Low	53.3	Low	182 Å²	182	96.8 Å²	96.8	69%	0.687	48%	0.483	S	S	*	.	H	α-helix	trans	-66.9	-46.5	176.6	-171.5	179.9	-177.5	124.5	0.7	110.8	I122 R123 L124 S129 I130	I122-R126 PolarHBondContact O-N 2.97Å; I122-R126 VanDerWaalsContact O-N 3.16Å; R123-R126 WeakPolarHBondContact O-CB 2.99Å; R123-R126 PolarHBondContact O-N 3.28Å; L124-R126 PolarHBondContact O-N 3.34Å; R126-S129 PolarHBondContact O-N 3.22Å; R126-I130 HydrophobicContact CG-CD1 4.05Å; R126-I130 WeakPolarHBondContact O-CD1 3.48Å; R126-I130 VanDerWaalsContact O-CG1 3.26Å; R126-I130 WeakPolarHBondContact O-CG1 3.36Å; R126-I130 PolarHBondContact O-N 3.12Å
127	D	51.5	Low	52.8	Low	83 Å²	83	94.8 Å²	94.8	44%	0.444	47%	0.47	S	S	.	.	H	α-helix	trans	-65.9	-45.3	-177.8	-61.6	-19.3	0	0	0	111.4	R123 L124 S129 I130 E131	R123-D127 VanDerWaalsContact O-CG 3.31Å; R123-D127 PolarHBondContact O-N 3.09Å; L124-D127 PolarHBondContact O-N 2.87Å; D127-S129 VanDerWaalsContact C-N 3.34Å; D127-S129 PolarHBondContact O-N 3.39Å; D127-I130 PolarHBondContact O-N 2.89Å; D127-E131 PolarHBondContact O-N 2.99Å
128	L	50.5	Low	52.8	Low	31 Å²	31	92 Å²	92	16%	0.162	46%	0.462	C	S	.	.	H	α-helix	trans	-65.3	-33.8	174.4	-83.6	137.9	0	0	0	112.9	A104 V108 L111 L124 E131 L132	A104-L128 HydrophobicContact CB-CD2 4.43Å; V108-L128 HydrophobicContact CG2-CB 4.37Å; V108-L128 HydrophobicContact CG2-CD1 3.58Å; V108-L128 HydrophobicContact CG2-CD2 3.75Å; V108-L128 HydrophobicContact CG2-CG 4.09Å; L111-L128 HydrophobicContact CD1-CD1 4.44Å; L124-L128 HydrophobicContact CB-CD1 4.37Å; L124-L128 WeakPolarHBondContact O-CB 2.96Å; L124-L128 WeakPolarHBondContact O-CD1 3.42Å; L124-L128 PolarHBondContact O-N 2.78Å; L128-E131 PolarHBondContact O-N 3.36Å; L128-L132 WeakPolarHBondContact O-CB 3.49Å; L128-L132 PolarHBondContact O-N 2.88Å
129	S	48.6	Very low	52.3	Low	67 Å²	67	89 Å²	89	47%	0.469	44%	0.44	S	S	.	.	H	α-helix	trans	-68.4	-37.5	174.7	-173	0	0	0	0	111.8	R125 R126 D127 D133	R125-S129 WeakPolarHBondContact O-CB 3.05Å; R125-S129 PolarHBondContact O-N 3.22Å; R126-S129 PolarHBondContact O-N 3.22Å; D127-S129 VanDerWaalsContact C-N 3.34Å; D127-S129 PolarHBondContact O-N 3.39Å; S129-D133 WeakPolarHBondContact O-CB 3.41Å; S129-D133 PolarHBondContact O-N 3.47Å
130	I	50	Low	51.8	Low	100 Å²	100	86.3 Å²	86.3	51%	0.513	43%	0.43	S	S	.	.	H	α-helix	trans	-67.6	-41.1	175.6	-68.2	162.6	0	0	0	110	R126 D127 D133 A134	R126-I130 HydrophobicContact CG-CD1 4.05Å; R126-I130 WeakPolarHBondContact O-CD1 3.48Å; R126-I130 VanDerWaalsContact O-CG1 3.26Å; R126-I130 WeakPolarHBondContact O-CG1 3.36Å; R126-I130 PolarHBondContact O-N 3.12Å; D127-I130 PolarHBondContact O-N 2.89Å; I130-D133 PolarHBondContact O-N 2.93Å; I130-A134 VanDerWaalsContact O-CB 3.31Å; I130-A134 WeakPolarHBondContact O-CB 3.48Å; I130-A134 PolarHBondContact O-N 3.42Å
131	E	50.5	Low	51.4	Low	128 Å²	128	86.7 Å²	86.7	60%	0.598	43%	0.432	S	S	*	.	H	α-helix	trans	-66.3	-42.6	177.2	-167.2	172.8	-168.9	0	0	111.7	D127 L128 A134 V135	D127-E131 PolarHBondContact O-N 2.99Å; L128-E131 PolarHBondContact O-N 3.36Å; E131-A134 PolarHBondContact O-N 3.01Å; E131-V135 VanDerWaalsContact O-CG2 3.28Å; E131-V135 WeakPolarHBondContact O-CG2 3.4Å; E131-V135 PolarHBondContact O-N 3.28Å
132	L	50.3	Low	51.4	Low	51 Å²	51	92.5 Å²	92.5	27%	0.267	45%	0.452	S	S	.	.	H	α-helix	trans	-63	-44.1	173.9	-127.9	85.7	0	0	0	111.7	A104 L128 A134 V135 V136	A104-L132 HydrophobicContact CB-CD1 3.77Å; L128-L132 WeakPolarHBondContact O-CB 3.49Å; L128-L132 PolarHBondContact O-N 2.88Å; L132-A134 VanDerWaalsContact C-N 3.33Å; L132-A134 PolarHBondContact O-N 2.93Å; L132-V135 PolarHBondContact O-N 2.85Å; L132-V136 WeakPolarHBondContact O-CB 3.2Å; L132-V136 VanDerWaalsContact O-CG2 3.25Å; L132-V136 WeakPolarHBondContact O-CG2 3.36Å; L132-V136 PolarHBondContact O-N 2.9Å
133	D	48.1	Very low	50.7	Low	103 Å²	103	91.7 Å²	91.7	55%	0.551	45%	0.452	S	S	*	.	H	α-helix	trans	-62.7	-40.2	176	-94.9	-0.4	0	0	0	111.1	S129 I130 V136 M137	S129-D133 WeakPolarHBondContact O-CB 3.41Å; S129-D133 PolarHBondContact O-N 3.47Å; I130-D133 PolarHBondContact O-N 2.93Å; D133-V136 PolarHBondContact O-N 3.02Å; D133-M137 VanDerWaalsContact O-CB 3.3Å; D133-M137 WeakPolarHBondContact O-CB 3.48Å; D133-M137 WeakPolarHBondContact O-CG 3.41Å; D133-M137 PolarHBondContact O-N 2.97Å
134	A	50.3	Low	50	Low	47 Å²	47	85.3 Å²	85.3	39%	0.388	44%	0.437	S	S	.	.	H	α-helix	trans	-63.9	-42.9	175.9	0	0	0	0	0	112	I130 E131 L132 T138	I130-A134 VanDerWaalsContact O-CB 3.31Å; I130-A134 WeakPolarHBondContact O-CB 3.48Å; I130-A134 PolarHBondContact O-N 3.42Å; E131-A134 PolarHBondContact O-N 3.01Å; L132-A134 VanDerWaalsContact C-N 3.33Å; L132-A134 PolarHBondContact O-N 2.93Å; A134-T138 WeakPolarHBondContact O-CB 3.34Å; A134-T138 WeakPolarHBondContact O-CG2 3.34Å; A134-T138 PolarHBondContact O-N 3.22Å; A134-T138 PolarHBondContact O-OG1 2.69Å
135	V	51.5	Low	49.4	Very low	39 Å²	39	87.9 Å²	87.9	24%	0.236	45%	0.451	C	S	.	.	H	α-helix	trans	-65.1	-42.3	175.9	171.8	0	0	0	0	111.1	L97 E131 L132 T138 E139	L97-V135 HydrophobicContact CD1-CG1 3.66Å; E131-V135 VanDerWaalsContact O-CG2 3.28Å; E131-V135 WeakPolarHBondContact O-CG2 3.4Å; E131-V135 PolarHBondContact O-N 3.28Å; L132-V135 PolarHBondContact O-N 2.85Å; V135-T138 WeakPolarHBondContact CA-OG1 3.17Å; V135-T138 PolarHBondContact O-OG1 3.26Å; V135-E139 PolarHBondContact O-N 2.91Å; V135-E139 VanDerWaalsContact O-N 3.11Å
136	V	50	Low	48.9	Very low	57 Å²	57	87.4 Å²	87.4	35%	0.345	45%	0.454	S	S	.	.	H	α-helix	trans	-69	-41.7	177.9	171.4	0	0	0	0	111.2	L132 D133 T140	L132-V136 WeakPolarHBondContact O-CB 3.2Å; L132-V136 VanDerWaalsContact O-CG2 3.25Å; L132-V136 WeakPolarHBondContact O-CG2 3.36Å; L132-V136 PolarHBondContact O-N 2.9Å; D133-V136 PolarHBondContact O-N 3.02Å; V136-T140 VanDerWaalsContact O-CB 3.28Å; V136-T140 WeakPolarHBondContact O-CB 3.27Å; V136-T140 PolarHBondContact O-N 2.81Å; V136-T140 PolarHBondContact O-OG1 2.9Å
137	M	46.3	Very low	47.8	Very low	116 Å²	116	80.9 Å²	80.9	57%	0.571	44%	0.443	S	S	*	.	H	α-helix	trans	-65.3	-47.9	177.3	-73.7	-141.2	-52.1	0	0	111.6	D133 E139 T140 E141	D133-M137 VanDerWaalsContact O-CB 3.3Å; D133-M137 WeakPolarHBondContact O-CB 3.48Å; D133-M137 WeakPolarHBondContact O-CG 3.41Å; D133-M137 PolarHBondContact O-N 2.97Å; M137-E139 VanDerWaalsContact C-N 3.3Å; M137-E139 PolarHBondContact O-N 2.79Å; M137-T140 PolarHBondContact O-N 3.45Å; M137-E141 WeakPolarHBondContact O-CB 3.18Å; M137-E141 WeakPolarHBondContact O-CG 3.31Å; M137-E141 PolarHBondContact O-N 2.88Å
138	T	56.1	Low	47.3	Very low	69 Å²	69	83.5 Å²	83.5	42%	0.423	45%	0.45	S	S	.	.	H	α-helix	trans	-61.4	-38.1	178.9	42.6	0	0	0	0	112.2	A134 V135 R142	A134-T138 WeakPolarHBondContact O-CB 3.34Å; A134-T138 WeakPolarHBondContact O-CG2 3.34Å; A134-T138 PolarHBondContact O-N 3.22Å; A134-T138 PolarHBondContact O-OG1 2.69Å; V135-T138 WeakPolarHBondContact CA-OG1 3.17Å; V135-T138 PolarHBondContact O-OG1 3.26Å; T138-R142 VanDerWaalsContact O-CG 3.28Å; T138-R142 WeakPolarHBondContact O-CG 3.37Å; T138-R142 PolarHBondContact O-N 3.11Å
139	E	46.9	Very low	46.8	Very low	23 Å²	23	89.9 Å²	89.9	11%	0.107	48%	0.479	C	S	.	.	H	α-helix	trans	-76.6	-32	175	-68.7	-52.8	160.5	0	0	113.6	V135 M137 E141 R142 V143	V135-E139 PolarHBondContact O-N 2.91Å; V135-E139 VanDerWaalsContact O-N 3.11Å; M137-E139 VanDerWaalsContact C-N 3.3Å; M137-E139 PolarHBondContact O-N 2.79Å; E139-E141 VanDerWaalsContact C-N 3.33Å; E139-R142 PolarHBondContact O-N 3.46Å; E139-R142 IonicContact OE1-NH1 2.9Å; E139-R142 PolarHBondContact OE1-NH1 3.04Å; E139-R142 VanDerWaalsContact OE1-NH1 3.1Å; E139-R142 WeakPolarHBondContact OE2-CD 3.33Å; E139-V143 VanDerWaalsContact O-CG2 3.29Å; E139-V143 WeakPolarHBondContact O-CG2 3.41Å; E139-V143 PolarHBondContact O-N 3.38Å
140	T	46.6	Very low	46.3	Very low	86 Å²	86	92.3 Å²	92.3	53%	0.528	49%	0.491	S	S	.	.	H	α-helix	trans	-65.6	-39.2	172.5	-55.9	0	0	0	0	111.1	V136 M137 S144	V136-T140 VanDerWaalsContact O-CB 3.28Å; V136-T140 WeakPolarHBondContact O-CB 3.27Å; V136-T140 PolarHBondContact O-N 2.81Å; V136-T140 PolarHBondContact O-OG1 2.9Å; M137-T140 PolarHBondContact O-N 3.45Å; T140-S144 WeakPolarHBondContact O-CB 3.13Å; T140-S144 PolarHBondContact O-N 3.33Å
141	E	49.5	Very low	45.7	Very low	115 Å²	115	96 Å²	96	54%	0.537	50%	0.504	S	S	.	.	H	α-helix	trans	-64.8	-41.4	174.2	-75.3	177.3	174.9	0	0	111.6	M137 E139 S144 L145	M137-E141 WeakPolarHBondContact O-CB 3.18Å; M137-E141 WeakPolarHBondContact O-CG 3.31Å; M137-E141 PolarHBondContact O-N 2.88Å; E139-E141 VanDerWaalsContact C-N 3.33Å; E141-S144 PolarHBondContact O-N 3.39Å; E141-L145 WeakPolarHBondContact O-CB 3.4Å; E141-L145 VanDerWaalsContact O-CG 3.26Å; E141-L145 WeakPolarHBondContact O-CG 3.44Å; E141-L145 PolarHBondContact O-N 2.81Å
142	R	49.7	Very low	44.8	Very low	162 Å²	162	98.4 Å²	98.4	61%	0.611	52%	0.517	S	S	*	.	H	α-helix	trans	-64.3	-43.9	175.5	-77.2	174.2	161.4	-173.3	-3.8	113.2	T138 E139 S144 L145 Q146	T138-R142 VanDerWaalsContact O-CG 3.28Å; T138-R142 WeakPolarHBondContact O-CG 3.37Å; T138-R142 PolarHBondContact O-N 3.11Å; E139-R142 PolarHBondContact O-N 3.46Å; E139-R142 IonicContact OE1-NH1 2.9Å; E139-R142 PolarHBondContact OE1-NH1 3.04Å; E139-R142 VanDerWaalsContact OE1-NH1 3.1Å; E139-R142 WeakPolarHBondContact OE2-CD 3.33Å; R142-S144 VanDerWaalsContact C-N 3.32Å; R142-S144 PolarHBondContact O-N 3.3Å; R142-L145 PolarHBondContact O-N 2.78Å; R142-Q146 WeakPolarHBondContact O-CB 3.41Å; R142-Q146 PolarHBondContact O-N 3.03Å
143	V	43.6	Very low	43.9	Very low	94 Å²	94	102 Å²	102	57%	0.57	55%	0.547	S	S	*	.	H	α-helix	trans	-66.1	-36.3	175.4	174.5	0	0	0	0	111.1	E139 G147	E139-V143 VanDerWaalsContact O-CG2 3.29Å; E139-V143 WeakPolarHBondContact O-CG2 3.41Å; E139-V143 PolarHBondContact O-N 3.38Å; V143-G147 PolarHBondContact O-N 3.11Å
144	S	43.5	Very low	43	Very low	59 Å²	59	100.9 Å²	100.9	41%	0.413	56%	0.559	S	S	.	*	H	α-helix	trans	-71.4	-33.8	177.2	-163	0	0	0	0	112.9	T140 E141 R142 K148	T140-S144 WeakPolarHBondContact O-CB 3.13Å; T140-S144 PolarHBondContact O-N 3.33Å; E141-S144 PolarHBondContact O-N 3.39Å; R142-S144 VanDerWaalsContact C-N 3.32Å; R142-S144 PolarHBondContact O-N 3.3Å; S144-K148 WeakPolarHBondContact O-CB 3.15Å; S144-K148 WeakPolarHBondContact O-CG 3.25Å; S144-K148 PolarHBondContact O-N 3.01Å; S144-K148 VanDerWaalsContact O-N 3.13Å
145	L	39.5	Very low	42.1	Very low	107 Å²	107	104.6 Å²	104.6	56%	0.56	58%	0.582	S	S	*	*	H	α-helix	trans	-69.2	-43.5	172.7	-73.9	168	0	0	0	111.3	E141 R142 G147 K148 E149	E141-L145 WeakPolarHBondContact O-CB 3.4Å; E141-L145 VanDerWaalsContact O-CG 3.26Å; E141-L145 WeakPolarHBondContact O-CG 3.44Å; E141-L145 PolarHBondContact O-N 2.81Å; R142-L145 PolarHBondContact O-N 2.78Å; L145-G147 VanDerWaalsContact C-N 3.27Å; L145-G147 PolarHBondContact O-N 2.86Å; L145-K148 PolarHBondContact O-N 3.17Å; L145-K148 VanDerWaalsContact O-N 3.08Å; L145-E149 WeakPolarHBondContact O-CG 3.27Å; L145-E149 PolarHBondContact O-N 3.28Å
146	Q	43.6	Very low	41.1	Very low	117 Å²	117	106.3 Å²	106.3	55%	0.547	61%	0.608	S	S	.	*	H	α-helix	trans	-65.6	-30.6	177.3	-157.2	178.6	54.4	0	0	112.6	R142 T150	R142-Q146 WeakPolarHBondContact O-CB 3.41Å; R142-Q146 PolarHBondContact O-N 3.03Å; Q146-T150 PolarHBondContact O-OG1 3.27Å; Q146-T150 VanDerWaalsContact O-OG1 3.13Å
147	G	36.6	Very low	40.1	Very low	44 Å²	44	107.9 Å²	107.9	45%	0.454	63%	0.627	S	S	.	*	H	α-helix	trans	-78.4	-18	172.5	0	0	0	0	0	115.3	V143 L145	V143-G147 PolarHBondContact O-N 3.11Å; L145-G147 VanDerWaalsContact C-N 3.27Å; L145-G147 PolarHBondContact O-N 2.86Å
148	K	41.1	Very low	39.3	Very low	139 Å²	139	108.2 Å²	108.2	60%	0.604	64%	0.639	S	S	*	*	H	α-helix	trans	-91.6	-28.5	175	-78.8	176.1	178.9	176.7	0	112.7	S144 L145 T150 K151	S144-K148 WeakPolarHBondContact O-CB 3.15Å; S144-K148 WeakPolarHBondContact O-CG 3.25Å; S144-K148 PolarHBondContact O-N 3.01Å; S144-K148 VanDerWaalsContact O-N 3.13Å; L145-K148 PolarHBondContact O-N 3.17Å; L145-K148 VanDerWaalsContact O-N 3.08Å; K148-T150 PolarHBondContact O-N 2.68Å; K148-K151 PolarHBondContact O-N 3.09Å
149	E	39.9	Very low	38.1	Very low	164 Å²	164	110.4 Å²	110.4	77%	0.766	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-13.8	175	-75.2	-177.1	164.4	0	0	113.5	L145	L145-E149 WeakPolarHBondContact O-CG 3.27Å; L145-E149 PolarHBondContact O-N 3.28Å
150	T	39.9	Very low	37.4	Very low	118 Å²	118	115.7 Å²	115.7	72%	0.724	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	8.3	175.9	12.4	0	0	0	0	114.8	Q146 K148	Q146-T150 PolarHBondContact O-OG1 3.27Å; Q146-T150 VanDerWaalsContact O-OG1 3.13Å; K148-T150 PolarHBondContact O-N 2.68Å
151	K	35.8	Very low	36.6	Very low	179 Å²	179	120.4 Å²	120.4	78%	0.778	70%	0.697	S	S	*	*	S	Bend	trans	-133	11.1	-175.5	-87.3	-175.1	178.5	178.3	0	117.4	K148	K148-K151 PolarHBondContact O-N 3.09Å
152	M	32.7	Very low	35.7	Very low	178 Å²	178	120.7 Å²	120.7	88%	0.877	71%	0.712	S	S	*	*			trans	-114.7	68.9	179.3	-61.7	-64	-75.3	0	0	111.6
153	S	31	Very low	34.8	Very low	127 Å²	127	119 Å²	119	89%	0.888	72%	0.719	S	S	*	*			trans	-144.2	100	161	-179.9	0	0	0	0	107.9
154	G	28.8	Very low	34.3	Very low	78 Å²	78	121 Å²	121	80%	0.804	73%	0.727	S	S	*	*			trans	147.2	100.8	174.7	0	0	0	0	0	113.4
155	S	32.4	Very low	33.7	Very low	126 Å²	126	126.9 Å²	126.9	88%	0.881	75%	0.747	S	S	*	*			trans	125.2	80.4	152.9	-169.7	0	0	0	0	113
156	G	28.9	Very low	33.4	Very low	75 Å²	75	125.5 Å²	125.5	77%	0.773	76%	0.759	S	S	*	*			trans	-81.6	141.7	153.9	0	0	0	0	0	110.1
157	A	29.5	Very low	32.9	Very low	90 Å²	90	125.7 Å²	125.7	74%	0.744	77%	0.773	S	S	*	*			trans	179	137.4	131.9	0	0	0	0	0	110.9
158	C	30	Very low	32.6	Very low	122 Å²	122	131.7 Å²	131.7	82%	0.824	79%	0.791	S	S	*	*			trans	81.8	137	154.5	-60.4	0	0	0	0	117.7
159	V	31.3	Very low	32.5	Very low	116 Å²	116	132 Å²	132	70%	0.703	81%	0.805	S	S	*	*			cis	178.4	133.9	-18.2	124.4	0	0	0	0	104.6
160	N	32.2	Very low	31.9	Very low	133 Å²	133	129.6 Å²	129.6	71%	0.711	81%	0.806	S	S	*	*			trans	58.6	120.2	153.2	-56.6	-12.1	0	0	0	123.9
161	Q	29.4	Very low	31.6	Very low	185 Å²	185	129.2 Å²	129.2	86%	0.864	82%	0.815	S	S	*	*				41	121.9	129.2	-63.3	179.9	18	0	0	120.4
162	S	31	Very low	31.3	Very low	121 Å²	121	126.3 Å²	126.3	85%	0.846	82%	0.817	S	S	*	*				171.5	152.4	96.9	62.2	0	0	0	0	113.2
163	T	29.6	Very low	31.4	Very low	126 Å²	126	121.5 Å²	121.5	77%	0.773	81%	0.813	S	S	*	*			trans	-58.9	141.7	179.8	-45.5	0	0	0	0	115
164	L	33.8	Very low	31.4	Very low	138 Å²	138	124.4 Å²	124.4	72%	0.723	81%	0.81	S	S	*	*				169.4	130.8	118.5	-121.9	99.4	0	0	0	113.3
165	E	30.8	Very low	31.5	Very low	182 Å²	182	128 Å²	128	85%	0.85	81%	0.81	S	S	*	*			trans	39	144	138.7	-65.1	-164.1	161.8	0	0	125.3
166	G	33.4	Very low	31.6	Very low	78 Å²	78	131 Å²	131	80%	0.804	81%	0.807	S	S	*	*			trans	118.8	128.4	156.6	0	0	0	0	0	111.6
167	S	31.7	Very low	31.8	Very low	121 Å²	121	133.1 Å²	133.1	85%	0.846	81%	0.808	S	S	*	*			cis	-170.9	150.2	6.6	179.1	0	0	0	0	107
168	M	31.3	Very low	31.7	Very low	169 Å²	169	132.3 Å²	132.3	83%	0.833	81%	0.808	S	S	*	*			trans	-64.6	152.4	176.1	-59.3	-178.1	-73.6	0	0	112.5
169	V	38.8	Very low	31.5	Very low	147 Å²	147	136.1 Å²	136.1	89%	0.891	81%	0.814	S	S	*	*				-161.7	125.9	119.1	176.5	0	0	0	0	109.4
170	S	28	Very low	31.6	Very low	113 Å²	113	136.3 Å²	136.3	79%	0.79	82%	0.82	S	S	*	*			trans	-74.4	153	173.2	-61.3	0	0	0	0	113.7
171	A	33.1	Very low	31.8	Very low	109 Å²	109	137.6 Å²	137.6	90%	0.901	83%	0.825	S	S	*	*			trans	-142.3	116.7	144.4	0	0	0	0	0	109.9
172	S	30.1	Very low	31.7	Very low	118 Å²	118	134.3 Å²	134.3	83%	0.825	82%	0.82	S	S	*	*			trans	-95.3	139.4	-179.1	-163.2	0	0	0	0	109.8
173	G	34.2	Very low	31.5	Very low	78 Å²	78	137.5 Å²	137.5	80%	0.804	82%	0.821	S	S	*	*			trans	-150.3	99.6	171.2	0	0	0	0	0	110.2
174	K	30.4	Very low	31.4	Very low	188 Å²	188	138.2 Å²	138.2	82%	0.817	82%	0.816	S	S	*	*			trans	-65.3	146.5	176.5	-69.6	172.6	172.9	178.1	0	111.7
175	L	32.3	Very low	31.1	Very low	152 Å²	152	137.8 Å²	137.8	80%	0.796	82%	0.819	S	S	*	*				175.4	111	114.1	-106.6	112.9	0	0	0	113
176	F	34.1	Very low	31.1	Very low	189 Å²	189	137.7 Å²	137.7	83%	0.829	81%	0.812	S	S	*	*			trans	65.5	148.4	145.8	-71.3	-90.9	0	0	0	124.8
177	P	33.3	Very low	30.7	Very low	121 Å²	121	142.8 Å²	142.8	79%	0.786	82%	0.815	S	S	*	*			trans	-110.6	157.6	-154.1	41.2	-30.1	0	0	0	113.8
178	G	27.4	Very low	30.5	Very low	72 Å²	72	144.9 Å²	144.9	74%	0.742	82%	0.815	S	S	*	*			trans	-173.4	108.5	170.2	0	0	0	0	0	112.3
179	E	26.3	Very low	30.2	Very low	203 Å²	203	141.7 Å²	141.7	95%	0.949	81%	0.809	S	S	*	*			trans	42.3	100.6	160.7	-75.6	173.4	121.7	0	0	119
180	S	32.8	Very low	29.6	Very low	120 Å²	120	139 Å²	139	84%	0.839	80%	0.803	S	S	*	*			trans	-135.7	113.4	154.3	57.9	0	0	0	0	110.3
181	I	35.3	Very low	29.5	Very low	159 Å²	159	139.3 Å²	139.3	82%	0.815	80%	0.803	S	S	*	*			trans	-51.6	141.3	175.7	-62.1	165.2	0	0	0	110.4	H183	I181-H183 PolarHBondContact O-N 3.04Å
182	P	27.8	Very low	29.1	Very low	117 Å²	117	140.1 Å²	140.1	76%	0.76	80%	0.797	S	S	*	*			trans	-75.1	120.9	-172.7	30.2	-32.3	0	0	0	110.9	Q184	P182-Q184 PolarHBondContact O-N 3.35Å
183	H	27.2	Very low	29	Very low	188 Å²	188	141 Å²	141	87%	0.87	80%	0.796	S	S	*	*			trans	-65.7	112.4	160.3	-87.7	-69.9	0	0	0	108.7	I181 T185	I181-H183 PolarHBondContact O-N 3.04Å; H183-T185 PolarHBondContact O-N 2.95Å; H183-T185 VanDerWaalsContact O-N 3.14Å
184	Q	28.1	Very low	28.6	Very low	141 Å²	141	144.9 Å²	144.9	66%	0.659	79%	0.794	S	S	*	*			trans	-67.7	105	169.6	-126.4	176.1	27.2	0	0	108.4	P182 Y186	P182-Q184 PolarHBondContact O-N 3.35Å; Q184-Y186 HydrophobicContact CB-CE1 4.4Å; Q184-Y186 HydrophobicContact CB-CE2 4.44Å; Q184-Y186 PolarHBondContact O-N 2.93Å; Q184-Y186 PolarHBondContact OE1-OH 3.44Å
185	T	26.6	Very low	28.5	Very low	129 Å²	129	144.8 Å²	144.8	79%	0.791	80%	0.796	S	S	*	*			trans	-71.1	109.7	167.9	-54.2	0	0	0	0	108.3	H183 E187	H183-T185 PolarHBondContact O-N 2.95Å; H183-T185 VanDerWaalsContact O-N 3.14Å; T185-E187 PolarHBondContact O-N 3.32Å
186	Y	30.3	Very low	28.2	Very low	179 Å²	179	148.7 Å²	148.7	70%	0.702	80%	0.801	S	S	*	*			trans	-81.2	100.4	168.5	-54.1	-76.8	0	0	0	108.6	Q184 I188	Q184-Y186 HydrophobicContact CB-CE1 4.4Å; Q184-Y186 HydrophobicContact CB-CE2 4.44Å; Q184-Y186 PolarHBondContact O-N 2.93Å; Q184-Y186 PolarHBondContact OE1-OH 3.44Å; Y186-I188 PolarHBondContact O-N 3.34Å
187	E	25.3	Very low	28	Very low	186 Å²	186	145.2 Å²	145.2	87%	0.869	80%	0.8	S	S	*	*			trans	-63.5	113.5	163.3	-83.5	-172	148.3	0	0	109.1	T185 S189	T185-E187 PolarHBondContact O-N 3.32Å; E187-S189 PolarHBondContact O-N 2.94Å
188	I	28.3	Very low	27.8	Very low	165 Å²	165	145.1 Å²	145.1	85%	0.846	80%	0.802	S	S	*	*			trans	-88.4	94.5	167.6	-59.8	175	0	0	0	107	Y186 A190	Y186-I188 PolarHBondContact O-N 3.34Å; I188-A190 PolarHBondContact O-N 3.42Å
189	S	24.6	Very low	28	Very low	102 Å²	102	146.6 Å²	146.6	71%	0.713	81%	0.807	S	S	*	*			trans	-66.2	120.5	170	-179.9	0	0	0	0	110.2	E187 C191	E187-S189 PolarHBondContact O-N 2.94Å; S189-C191 PolarHBondContact O-N 3.04Å
190	A	26	Very low	28	Very low	91 Å²	91	143.5 Å²	143.5	75%	0.752	81%	0.806	S	S	*	*			trans	-83.8	106.7	174	0	0	0	0	0	109.7	I188 V192	I188-A190 PolarHBondContact O-N 3.42Å; A190-V192 PolarHBondContact O-N 3.49Å
191	C	25.9	Very low	28	Very low	119 Å²	119	143.9 Å²	143.9	80%	0.804	81%	0.809	S	S	*	*			trans	-72.8	120.2	170.1	-74.1	0	0	0	0	110.9	S189	S189-C191 PolarHBondContact O-N 3.04Å
192	V	24	Very low	27.7	Very low	126 Å²	126	140 Å²	140	76%	0.764	81%	0.808	S	S	*	*			trans	-52.9	128.6	168.3	172.5	0	0	0	0	111.1	A190 E194	A190-V192 PolarHBondContact O-N 3.49Å; V192-E194 HydrophobicContact CG1-CG 4.45Å
193	V	28.5	Very low	28	Very low	135 Å²	135	138 Å²	138	82%	0.818	81%	0.809	S	S	*	*			trans	-123.8	107.6	156.8	172.5	0	0	0	0	107.1	Q195	V193-Q195 PolarHBondContact O-N 2.83Å
194	E	26.2	Very low	28.3	Very low	161 Å²	161	134 Å²	134	75%	0.752	80%	0.799	S	S	*	*			trans	-58.2	124.7	171.4	-72.4	-162.1	149.8	0	0	110.3	V192	V192-E194 HydrophobicContact CG1-CG 4.45Å
195	Q	28	Very low	28.2	Very low	186 Å²	186	136.5 Å²	136.5	87%	0.869	81%	0.808	S	S	*	*			trans	-119.6	101.2	162.5	-159.8	170.4	1.4	0	0	108.4	V193 S197	V193-Q195 PolarHBondContact O-N 2.83Å; Q195-S197 PolarHBondContact O-N 3.21Å
196	R	26.5	Very low	28.6	Very low	234 Å²	234	136.3 Å²	136.3	88%	0.883	81%	0.813	S	S	*	*			trans	-58.7	115.5	172.8	-72.9	177.9	172	-176.2	-4.1	109.8
197	S	29.1	Very low	28.5	Very low	116 Å²	116	134.8 Å²	134.8	81%	0.811	82%	0.822	S	S	*	*			trans	-112.5	109.3	167.5	53.1	0	0	0	0	109.6	Q195 A199	Q195-S197 PolarHBondContact O-N 3.21Å; S197-A199 PolarHBondContact O-N 3.42Å
198	S	29.8	Very low	28.7	Very low	119 Å²	119	131.8 Å²	131.8	83%	0.832	82%	0.821	S	S	*	*			trans	-78.6	113.3	171.2	61.1	0	0	0	0	110.7
199	A	31.1	Very low	28.7	Very low	102 Å²	102	134.7 Å²	134.7	84%	0.843	82%	0.822	S	S	*	*			trans	18.7	118.1	151	0	0	0	0	0	119.8	S197	S197-A199 PolarHBondContact O-N 3.42Å
200	C	26.1	Very low	28.8	Very low	138 Å²	138	139 Å²	139	93%	0.932	83%	0.83	S	S	*	*			trans	-103.4	131.4	151.6	-68	0	0	0	0	110.1
201	S	33.5	Very low	28.9	Very low	129 Å²	129	138.4 Å²	138.4	90%	0.902	83%	0.833	S	S	*	*			trans	-132.3	131	159.3	179.7	0	0	0	0	103.8
202	G	29.6	Very low	29	Very low	76 Å²	76	136.9 Å²	136.9	78%	0.784	83%	0.829	S	S	*	*			cis	144.4	123.6	21.1	0	0	0	0	0	104.2
203	G	32.7	Very low	29.1	Very low	76 Å²	76	137.4 Å²	137.4	78%	0.784	84%	0.837	S	S	*	*			trans	152.1	114.2	178	0	0	0	0	0	115.2
204	P	34.6	Very low	29	Very low	104 Å²	104	141.3 Å²	141.3	68%	0.675	84%	0.837	S	S	*	*			trans	-111.1	169.1	-161.1	41.4	-33	0	0	0	115.6
205	F	25.8	Very low	29.1	Very low	193 Å²	193	139.8 Å²	139.8	85%	0.846	84%	0.839	S	S	*	*			trans	65	113.3	161.6	-52.4	-67.4	0	0	0	119.6
206	S	34.7	Very low	29.2	Very low	126 Å²	126	138 Å²	138	88%	0.881	84%	0.835	S	S	*	*				-169.5	126	122.2	-83.4	0	0	0	0	112.2
207	T	27.9	Very low	29.2	Very low	147 Å²	147	137.2 Å²	137.2	90%	0.902	83%	0.832	S	S	*	*			trans	-64.2	128.6	175.3	32.5	0	0	0	0	113.4
208	S	28.9	Very low	29.2	Very low	122 Å²	122	136.9 Å²	136.9	85%	0.853	82%	0.821	S	S	*	*			trans	-161.7	141.6	150.5	-176.7	0	0	0	0	111.4
209	R	28.5	Very low	29.2	Very low	227 Å²	227	137.1 Å²	137.1	86%	0.857	81%	0.812	S	S	*	*	S	Bend	trans	-66.7	156.1	-168.4	-80.7	171.1	165.3	166	-5.2	113.9
210	H	27.8	Very low	29.1	Very low	191 Å²	191	137.7 Å²	137.7	88%	0.884	81%	0.805	S	S	*	*			trans	80	66.8	169	-63.4	-52.3	0	0	0	117.1
211	G	27.6	Very low	29.2	Very low	79 Å²	79	138.1 Å²	138.1	81%	0.814	79%	0.793	S	S	*	*			trans	-107.1	116.2	168.4	0	0	0	0	0	111.9	C213	G211-C213 PolarHBondContact O-N 3.25Å
212	A	28	Very low	29	Very low	88 Å²	88	136 Å²	136	73%	0.727	78%	0.779	S	S	*	*			trans	-52.1	126.1	-177.1	0	0	0	0	0	114.6	R214	A212-R214 PolarHBondContact O-N 3.16Å
213	C	25.3	Very low	29	Very low	137 Å²	137	136.4 Å²	136.4	93%	0.926	76%	0.763	S	S	*	*			trans	-71.7	82.9	159.7	-155.8	0	0	0	0	108.4	G211	G211-C213 PolarHBondContact O-N 3.25Å
214	R	26.4	Very low	28.8	Very low	216 Å²	216	139.2 Å²	139.2	82%	0.815	77%	0.765	S	S	*	*			trans	-60.7	121.2	152.5	-63.3	178.3	168.7	-156.3	-2	104.8	A212	A212-R214 PolarHBondContact O-N 3.16Å
215	T	29.7	Very low	28.5	Very low	129 Å²	129	139 Å²	139	79%	0.791	77%	0.766	S	S	*	*				-164.2	91.8	70.8	35.9	0	0	0	0	109.8
216	N	29.1	Very low	28.6	Very low	148 Å²	148	137.1 Å²	137.1	79%	0.791	75%	0.753	S	S	*	*			trans	-113.2	38.1	163.4	-154.8	-17.4	0	0	0	109.9
217	R	27.7	Very low	28.5	Very low	218 Å²	218	140.7 Å²	140.7	82%	0.823	75%	0.753	S	S	*	*			trans	-128.4	126.6	175.5	-85.9	-179.5	169.1	147.4	-2.6	106.5
218	D	27.6	Very low	28.4	Very low	109 Å²	109	144.9 Å²	144.9	58%	0.583	75%	0.752	S	S	*	*	S	Bend	trans	120.3	-5.5	171.3	-61.2	-10.6	0	0	0	117	T220 Q221	D218-T220 PolarHBondContact O-N 3.41Å; D218-Q221 PolarHBondContact O-N 2.96Å
219	I	30	Very low	28.4	Very low	125 Å²	125	144.8 Å²	144.8	64%	0.641	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-19.2	170.3	-48.3	174.9	0	0	0	111.3
220	T	29.1	Very low	28.6	Very low	114 Å²	114	137 Å²	137	70%	0.699	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-17.4	176.8	28.4	0	0	0	0	114.3	D218	D218-T220 PolarHBondContact O-N 3.41Å
221	Q	29.2	Very low	28.9	Very low	146 Å²	146	132.4 Å²	132.4	68%	0.682	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-15.8	-175.6	-74.8	-173.9	-14.5	0	0	114.5	D218 L223	D218-Q221 PolarHBondContact O-N 2.96Å; Q221-L223 VanDerWaalsContact C-N 3.31Å
222	S	28.7	Very low	29.3	Very low	86 Å²	86	132.2 Å²	132.2	60%	0.601	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-85.4	-1.7	171.7	77	0	0	0	0	114	T224	S222-T224 VanDerWaalsContact C-N 3.3Å; S222-T224 PolarHBondContact O-N 3.29Å
223	L	29.2	Very low	30.1	Very low	84 Å²	84	135 Å²	135	44%	0.44	68%	0.68	S	S	.	*	G	3₁₀ helix	trans	-77	-7.8	-173.1	-89.9	166.1	0	0	0	115	Q221	Q221-L223 VanDerWaalsContact C-N 3.31Å
224	T	28.8	Very low	30.7	Very low	134 Å²	134	131 Å²	131	82%	0.822	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-94.1	-3.5	-175.1	40.7	0	0	0	0	114.7	S222	S222-T224 VanDerWaalsContact C-N 3.3Å; S222-T224 PolarHBondContact O-N 3.29Å
225	S	28.5	Very low	31.2	Very low	100 Å²	100	120.7 Å²	120.7	70%	0.699	61%	0.61	S	S	*	*	S	Bend	trans	-119.5	58.4	169.9	67.7	0	0	0	0	112	K227	S225-K227 PolarHBondContact O-N 3.03Å
226	R	28.5	Very low	31.6	Very low	154 Å²	154	115 Å²	115	58%	0.581	58%	0.577	S	S	*	*			trans	-67.5	94.5	177.3	-80.1	-176.4	-178.1	-167.2	0.8	111.9
227	K	30.9	Very low	32.4	Very low	201 Å²	201	113.7 Å²	113.7	87%	0.874	57%	0.57	S	S	*	*			trans	-77.9	131.5	160.2	-148.1	172.8	-176.5	-178.3	0	108.3	S225	S225-K227 PolarHBondContact O-N 3.03Å
228	R	27.4	Very low	33.1	Very low	235 Å²	235	104.1 Å²	104.1	89%	0.887	54%	0.535	S	S	*	.			trans	-62.7	138.1	174.6	-72.5	-179.7	178.2	151.3	-0	108.7	D230	R228-D230 PolarHBondContact O-N 2.93Å; R228-D230 VanDerWaalsContact O-N 3.15Å
229	F	29.2	Very low	33.9	Very low	119 Å²	119	99 Å²	99	52%	0.522	51%	0.508	S	S	.	.			trans	-62.8	113.5	171.8	-172.4	-95.4	0	0	0	108.1	L231 D234	F229-L231 HydrophobicContact CE1-CD1 3.97Å; F229-D234 WeakPolarHBondContact CA-OD2 3.36Å; F229-D234 HydrophobicContact CD1-CB 4.45Å; F229-D234 HydrophobicContact CD2-CB 3.63Å; F229-D234 WeakPolarHBondContact CD2-OD2 3.09Å; F229-D234 HydrophobicContact CE1-CB 4.13Å; F229-D234 HydrophobicContact CE2-CB 3.25Å; F229-D234 HydrophobicContact CG-CB 4.24Å; F229-D234 HydrophobicContact CZ-CB 3.52Å
230	D	32.2	Very low	34.6	Very low	64 Å²	64	93.6 Å²	93.6	34%	0.342	48%	0.483	S	S	.	.			trans	-95.4	103.1	178.8	-177	-12.3	0	0	0	107.1	R228 A232 K233 D234	R228-D230 PolarHBondContact O-N 2.93Å; R228-D230 VanDerWaalsContact O-N 3.15Å; D230-A232 PolarHBondContact O-N 3.1Å; D230-A232 PolarHBondContact OD1-N 3.43Å; D230-A232 VanDerWaalsContact OD1-N 3.12Å; D230-K233 HydrophobicContact CB-CB 4.15Å; D230-K233 HydrophobicContact CB-CD 4.32Å; D230-K233 HydrophobicContact CB-CG 4.28Å; D230-K233 PolarHBondContact O-N 3.25Å; D230-K233 VanDerWaalsContact OD2-CD 3.26Å; D230-K233 WeakPolarHBondContact OD2-CD 3.27Å; D230-K233 VanDerWaalsContact OD2-CE 3.23Å; D230-K233 WeakPolarHBondContact OD2-CE 3.48Å; D230-K233 WeakPolarHBondContact OD2-CG 3.23Å; D230-K233 IonicContact OD2-NZ 2.81Å; D230-D234 PolarHBondContact N-OD2 3.3Å; D230-D234 WeakPolarHBondContact O-CB 3.43Å; D230-D234 PolarHBondContact O-N 2.92Å
231	L	33.7	Very low	35.3	Very low	94 Å²	94	90.9 Å²	90.9	49%	0.492	47%	0.466	S	S	.	.	H	α-helix	trans	-54.3	-28.3	-177.4	-165.3	72	0	0	0	112.5	F229 A235 L283	F229-L231 HydrophobicContact CE1-CD1 3.97Å; L231-A235 WeakPolarHBondContact O-CB 3.46Å; L231-L283 HydrophobicContact CD1-CD2 3.47Å; L231-L283 VanDerWaalsContact CD1-CD2 3.47Å; L231-L283 HydrophobicContact CG-CD2 4.2Å
232	A	36.1	Very low	35.9	Very low	75 Å²	75	84 Å²	84	62%	0.62	43%	0.434	S	S	*	.	H	α-helix	trans	-75.4	-29.8	178.1	0	0	0	0	0	112.6	D230 Q287	D230-A232 PolarHBondContact O-N 3.1Å; D230-A232 PolarHBondContact OD1-N 3.43Å; D230-A232 VanDerWaalsContact OD1-N 3.12Å; A232-Q287 PolarHBondContact O-NE2 2.99Å
233	K	44.1	Very low	36.7	Very low	147 Å²	147	80.8 Å²	80.8	64%	0.639	41%	0.41	S	S	*	.	H	α-helix	trans	-97.5	-44.4	-175.7	-62.9	-176.9	-175.6	178.3	0	112.5	D230	D230-K233 HydrophobicContact CB-CB 4.15Å; D230-K233 HydrophobicContact CB-CD 4.32Å; D230-K233 HydrophobicContact CB-CG 4.28Å; D230-K233 PolarHBondContact O-N 3.25Å; D230-K233 VanDerWaalsContact OD2-CD 3.26Å; D230-K233 WeakPolarHBondContact OD2-CD 3.27Å; D230-K233 VanDerWaalsContact OD2-CE 3.23Å; D230-K233 WeakPolarHBondContact OD2-CE 3.48Å; D230-K233 WeakPolarHBondContact OD2-CG 3.23Å; D230-K233 IonicContact OD2-NZ 2.81Å
234	D	38.1	Very low	37.4	Very low	52 Å²	52	78.3 Å²	78.3	28%	0.278	41%	0.405	S	S	.	.	H	α-helix	trans	-87.3	-12.7	-170.6	-54.6	-28.8	0	0	0	112.1	F229 D230 L238	F229-D234 WeakPolarHBondContact CA-OD2 3.36Å; F229-D234 HydrophobicContact CD1-CB 4.45Å; F229-D234 HydrophobicContact CD2-CB 3.63Å; F229-D234 WeakPolarHBondContact CD2-OD2 3.09Å; F229-D234 HydrophobicContact CE1-CB 4.13Å; F229-D234 HydrophobicContact CE2-CB 3.25Å; F229-D234 HydrophobicContact CG-CB 4.24Å; F229-D234 HydrophobicContact CZ-CB 3.52Å; D230-D234 PolarHBondContact N-OD2 3.3Å; D230-D234 WeakPolarHBondContact O-CB 3.43Å; D230-D234 PolarHBondContact O-N 2.92Å; D234-L238 WeakPolarHBondContact O-CB 3.43Å; D234-L238 PolarHBondContact O-N 3.44Å; D234-L238 VanDerWaalsContact O-N 3.07Å
235	A	37.4	Very low	38.1	Very low	0 Å²	0	81.3 Å²	81.3	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-74.8	-32.5	176.2	0	0	0	0	0	113.2	L231 L238 F239 L283	L231-A235 WeakPolarHBondContact O-CB 3.46Å; A235-L238 CarbonylContact O-C 3.57Å; A235-L238 WeakPolarHBondContact O-CB 3.39Å; A235-L238 PolarHBondContact O-N 3.29Å; A235-F239 HydrophobicContact CB-CE2 4.39Å; A235-F239 WeakPolarHBondContact O-CD2 3.48Å; A235-F239 WeakPolarHBondContact O-CG 3.18Å; A235-F239 PolarHBondContact O-N 3.23Å; A235-L283 HydrophobicContact CB-CD2 3.67Å
236	G	39.2	Very low	38.9	Very low	10 Å²	10	83.7 Å²	83.7	10%	0.103	40%	0.404	C	S	.	.	H	α-helix	trans	-62.4	-47.9	174.8	0	0	0	0	0	111.1	L238 F239 G240	G236-L238 VanDerWaalsContact C-N 3.28Å; G236-L238 PolarHBondContact O-N 3.18Å; G236-F239 CarbonylContact O-C 3.51Å; G236-F239 WeakPolarHBondContact O-CA 3.12Å; G236-F239 WeakPolarHBondContact O-CB 3.22Å; G236-F239 PolarHBondContact O-N 3.38Å; G236-G240 PolarHBondContact O-N 3.39Å
237	D	45.8	Very low	39.6	Very low	120 Å²	120	76.7 Å²	76.7	64%	0.642	38%	0.379	S	S	*	.	H	α-helix	trans	-59.4	-39.6	172	-75.8	-15	0	0	0	111.8	F239 G240 T241	D237-F239 VanDerWaalsContact C-N 3.34Å; D237-F239 PolarHBondContact O-N 3.35Å; D237-G240 PolarHBondContact O-N 3.37Å; D237-T241 WeakPolarHBondContact O-CB 3.25Å; D237-T241 PolarHBondContact O-N 3.16Å; D237-T241 PolarHBondContact O-OG1 2.71Å
238	L	42.5	Very low	40.1	Very low	17 Å²	17	70.4 Å²	70.4	9%	0.089	35%	0.353	C	S	.	.	H	α-helix	trans	-64.6	-37.1	174.5	-176.5	61.5	0	0	0	111.5	L76 L80 D234 A235 G236 T241 I242 L283	L76-L238 HydrophobicContact CD1-CD1 3.85Å; L76-L238 HydrophobicContact CD1-CD2 4.2Å; L80-L238 HydrophobicContact CD2-CD1 4.47Å; D234-L238 WeakPolarHBondContact O-CB 3.43Å; D234-L238 PolarHBondContact O-N 3.44Å; D234-L238 VanDerWaalsContact O-N 3.07Å; A235-L238 CarbonylContact O-C 3.57Å; A235-L238 WeakPolarHBondContact O-CB 3.39Å; A235-L238 PolarHBondContact O-N 3.29Å; G236-L238 VanDerWaalsContact C-N 3.28Å; G236-L238 PolarHBondContact O-N 3.18Å; L238-T241 PolarHBondContact O-N 3.22Å; L238-I242 HydrophobicContact CD1-CD1 3.77Å; L238-I242 HydrophobicContact CD1-CG1 3.91Å; L238-I242 HydrophobicContact CD2-CD1 4.15Å; L238-I242 HydrophobicContact CG-CD1 3.56Å; L238-I242 HydrophobicContact CG-CG1 4.1Å; L238-I242 VanDerWaalsContact O-CB 3.25Å; L238-I242 WeakPolarHBondContact O-CB 3.42Å; L238-I242 WeakPolarHBondContact O-CG1 3.25Å; L238-I242 PolarHBondContact O-N 3.46Å; L238-L283 HydrophobicContact CD2-CD1 3.64Å
239	F	43.8	Very low	41.1	Very low	2 Å²	2	67 Å²	67	1%	0.009	35%	0.347	C	S	.	.	H	α-helix	trans	-69.7	-44.4	173.6	-77.9	-60.4	0	0	0	113.3	A235 G236 D237 T241 I242 L243 I280 L283 M284 Q287	A235-F239 HydrophobicContact CB-CE2 4.39Å; A235-F239 WeakPolarHBondContact O-CD2 3.48Å; A235-F239 WeakPolarHBondContact O-CG 3.18Å; A235-F239 PolarHBondContact O-N 3.23Å; G236-F239 CarbonylContact O-C 3.51Å; G236-F239 WeakPolarHBondContact O-CA 3.12Å; G236-F239 WeakPolarHBondContact O-CB 3.22Å; G236-F239 PolarHBondContact O-N 3.38Å; D237-F239 VanDerWaalsContact C-N 3.34Å; D237-F239 PolarHBondContact O-N 3.35Å; F239-T241 PolarHBondContact O-N 3.03Å; F239-I242 PolarHBondContact O-N 3.46Å; F239-L243 HydrophobicContact CB-CD1 4.39Å; F239-L243 HydrophobicContact CD1-CD1 3.78Å; F239-L243 HydrophobicContact CD1-CG 4.31Å; F239-L243 WeakPolarHBondContact O-CA 3.21Å; F239-L243 VanDerWaalsContact O-CB 3.27Å; F239-L243 WeakPolarHBondContact O-CB 2.94Å; F239-L243 PolarHBondContact O-N 3.13Å; F239-I280 HydrophobicContact CD1-CG2 4.46Å; F239-I280 HydrophobicContact CE1-CG2 3.75Å; F239-L283 HydrophobicContact CE1-CB 4.04Å; F239-L283 HydrophobicContact CE2-CB 3.57Å; F239-L283 HydrophobicContact CZ-CB 3.12Å; F239-L283 HydrophobicContact CZ-CD1 4.5Å; F239-L283 HydrophobicContact CZ-CG 4.37Å; F239-M284 HydrophobicContact CD1-CG 4.49Å; F239-M284 HydrophobicContact CD1-SD 3.85Å; F239-M284 HydrophobicContact CE1-CG 3.48Å; F239-M284 VanDerWaalsContact CE1-CG 3.48Å; F239-M284 HydrophobicContact CE1-SD 3.33Å; F239-M284 WeakPolarHBondContact CE1-SD 3.14Å; F239-M284 HydrophobicContact CE2-SD 4.35Å; F239-M284 HydrophobicContact CZ-CB 4.25Å; F239-M284 HydrophobicContact CZ-CG 3.65Å; F239-M284 HydrophobicContact CZ-SD 3.59Å; F239-M284 VanDerWaalsContact CZ-SD 3.59Å; F239-Q287 VanDerWaalsContact CE2-OE1 3.3Å
240	G	43.5	Very low	42	Very low	12 Å²	12	65.4 Å²	65.4	12%	0.124	34%	0.341	C	S	.	.	H	α-helix	trans	-59.2	-27.1	171.4	0	0	0	0	0	111.9	G236 D237 G244 K245	G236-G240 PolarHBondContact O-N 3.39Å; D237-G240 PolarHBondContact O-N 3.37Å; G240-G244 CarbonylContact O-C 3.59Å; G240-G244 WeakPolarHBondContact O-CA 3.43Å; G240-G244 PolarHBondContact O-N 3.47Å; G240-K245 PolarHBondContact O-N 3.23Å
241	T	43.9	Very low	43.1	Very low	57 Å²	57	62.7 Å²	62.7	35%	0.35	33%	0.327	S	S	.	.	H	α-helix	trans	-85	-45.9	174.7	-47.1	0	0	0	0	112.1	L80 I83 D237 L238 F239	L80-T241 HydrophobicContact CD2-CG2 3.26Å; I83-T241 WeakPolarHBondContact CG2-O 3.37Å; D237-T241 WeakPolarHBondContact O-CB 3.25Å; D237-T241 PolarHBondContact O-N 3.16Å; D237-T241 PolarHBondContact O-OG1 2.71Å; L238-T241 PolarHBondContact O-N 3.22Å; F239-T241 PolarHBondContact O-N 3.03Å
242	I	41.8	Very low	44.1	Very low	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65	-45.1	-179.2	-70.3	175.6	0	0	0	112.2	I83 F88 L238 F239 I280	I83-I242 HydrophobicContact CD1-CB 4.02Å; I83-I242 HydrophobicContact CD1-CG1 3.58Å; I83-I242 HydrophobicContact CD1-CG2 4.04Å; I83-I242 WeakPolarHBondContact CG2-O 3.22Å; F88-I242 WeakPolarHBondContact CE1-O 3.14Å; L238-I242 HydrophobicContact CD1-CD1 3.77Å; L238-I242 HydrophobicContact CD1-CG1 3.91Å; L238-I242 HydrophobicContact CD2-CD1 4.15Å; L238-I242 HydrophobicContact CG-CD1 3.56Å; L238-I242 HydrophobicContact CG-CG1 4.1Å; L238-I242 VanDerWaalsContact O-CB 3.25Å; L238-I242 WeakPolarHBondContact O-CB 3.42Å; L238-I242 WeakPolarHBondContact O-CG1 3.25Å; L238-I242 PolarHBondContact O-N 3.46Å; F239-I242 PolarHBondContact O-N 3.46Å; I242-I280 HydrophobicContact CD1-CG1 4.08Å; I242-I280 HydrophobicContact CG2-CD1 3.5Å; I242-I280 VanDerWaalsContact CG2-CD1 3.5Å; I242-I280 HydrophobicContact CG2-CG1 4.04Å
243	L	45.9	Very low	45.3	Very low	20 Å²	20	62.3 Å²	62.3	11%	0.105	32%	0.316	C	S	.	.	S	Bend	trans	-99.5	-7.7	-173.5	-51.5	173.5	0	0	0	111	F239 A247 V251 I271	F239-L243 HydrophobicContact CB-CD1 4.39Å; F239-L243 HydrophobicContact CD1-CD1 3.78Å; F239-L243 HydrophobicContact CD1-CG 4.31Å; F239-L243 WeakPolarHBondContact O-CA 3.21Å; F239-L243 VanDerWaalsContact O-CB 3.27Å; F239-L243 WeakPolarHBondContact O-CB 2.94Å; F239-L243 PolarHBondContact O-N 3.13Å; L243-A247 VanDerWaalsContact C-CB 3.46Å; L243-A247 HydrophobicContact CB-CB 3.15Å; L243-A247 HydrophobicContact CD1-CB 4.44Å; L243-A247 HydrophobicContact CG-CB 4.36Å; L243-A247 WeakPolarHBondContact O-CB 3.33Å; L243-V251 HydrophobicContact CD1-CG2 4.34Å; L243-I271 HydrophobicContact CD1-CD1 3.94Å; L243-I271 HydrophobicContact CD2-CD1 3.78Å; L243-I271 HydrophobicContact CD2-CG1 3.56Å
244	G	44.8	Very low	46.1	Very low	31 Å²	31	55.6 Å²	55.6	32%	0.32	29%	0.287	S	S	.	.			trans	87	152.2	-170.5	0	0	0	0	0	111.7	G240 K246 A247	G240-G244 CarbonylContact O-C 3.59Å; G240-G244 WeakPolarHBondContact O-CA 3.43Å; G240-G244 PolarHBondContact O-N 3.47Å; G244-K246 PolarHBondContact O-N 2.88Å; G244-A247 PolarHBondContact O-N 3.32Å
245	K	43.8	Very low	47	Very low	198 Å²	198	55.6 Å²	55.6	86%	0.861	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-14.5	-172.3	-78.6	-169.7	174	-176	0	114.9	G240	G240-K245 PolarHBondContact O-N 3.23Å
246	K	44.8	Very low	47.8	Very low	150 Å²	150	57.4 Å²	57.4	65%	0.652	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-12.5	177.4	-74.7	-168.5	173.9	-174.6	0	114.6	G244 Q249 Q250	G244-K246 PolarHBondContact O-N 2.88Å; K246-Q249 WeakPolarHBondContact O-CB 3.3Å; K246-Q249 PolarHBondContact O-N 3.29Å; K246-Q250 WeakPolarHBondContact O-CG 3.39Å; K246-Q250 PolarHBondContact O-N 2.84Å; K246-Q250 VanDerWaalsContact O-N 3.11Å; K246-Q250 PolarHBondContact O-NE2 3.48Å
247	A	41.8	Very low	48.7	Very low	6 Å²	6	62.5 Å²	62.5	5%	0.05	33%	0.331	C	S	.	.	H	α-helix	trans	-89.9	-18.2	-169.7	0	0	0	0	0	114	L243 G244 Q249 Q250 V251	L243-A247 VanDerWaalsContact C-CB 3.46Å; L243-A247 HydrophobicContact CB-CB 3.15Å; L243-A247 HydrophobicContact CD1-CB 4.44Å; L243-A247 HydrophobicContact CG-CB 4.36Å; L243-A247 WeakPolarHBondContact O-CB 3.33Å; G244-A247 PolarHBondContact O-N 3.32Å; A247-Q249 PolarHBondContact O-N 3.29Å; A247-Q250 PolarHBondContact O-N 3.37Å; A247-V251 PolarHBondContact O-N 3.19Å
248	E	42.4	Very low	49.2	Very low	70 Å²	70	61.7 Å²	61.7	33%	0.327	33%	0.332	S	S	.	.	H	α-helix	trans	-61.6	-28.5	161.7	-165.6	179.7	-173.8	0	0	111.9	K288	E248-K288 PolarHBondContact O-NZ 3.35Å; E248-K288 VanDerWaalsContact O-NZ 3.12Å
249	Q	49.1	Very low	50.2	Low	163 Å²	163	65.3 Å²	65.3	76%	0.762	37%	0.365	S	S	*	.	H	α-helix	trans	-83	-20	171.2	-61.4	177.9	-12.6	0	0	113.1	K246 A247	K246-Q249 WeakPolarHBondContact O-CB 3.3Å; K246-Q249 PolarHBondContact O-N 3.29Å; A247-Q249 PolarHBondContact O-N 3.29Å
250	Q	48	Very low	51.1	Low	85 Å²	85	68.4 Å²	68.4	40%	0.397	38%	0.379	S	S	.	.	H	α-helix	trans	-89.6	-18.5	179.7	-71	171.4	60.8	0	0	113.3	K246 A247 P252 A267	K246-Q250 WeakPolarHBondContact O-CG 3.39Å; K246-Q250 PolarHBondContact O-N 2.84Å; K246-Q250 VanDerWaalsContact O-N 3.11Å; K246-Q250 PolarHBondContact O-NE2 3.48Å; A247-Q250 PolarHBondContact O-N 3.37Å; Q250-P252 WeakPolarHBondContact O-CD 3.27Å; Q250-A267 WeakPolarHBondContact O-CB 3.44Å
251	V	54.3	Low	51.7	Low	8 Å²	8	69.2 Å²	69.2	5%	0.048	38%	0.379	C	S	.	.	S	Bend	trans	-88	108.7	172.7	-172.2	0	0	0	0	109.8	L243 A247 A267 I268 I271 M284	L243-V251 HydrophobicContact CD1-CG2 4.34Å; A247-V251 PolarHBondContact O-N 3.19Å; V251-A267 HydrophobicContact CG1-CB 4.46Å; V251-A267 HydrophobicContact CG2-CB 4.47Å; V251-I268 HydrophobicContact CG1-CG2 3.81Å; V251-I271 HydrophobicContact CG2-CD1 4.47Å; V251-M284 HydrophobicContact CB-CE 3.95Å; V251-M284 HydrophobicContact CG1-CE 3.37Å; V251-M284 HydrophobicContact CG2-CE 4.03Å
252	P	55.9	Low	52.5	Low	51 Å²	51	70.7 Å²	70.7	33%	0.331	38%	0.384	S	S	.	.			trans	-63.4	149.4	176.3	25.9	-29.6	0	0	0	109.8	Q250 F254 W264 A267	Q250-P252 WeakPolarHBondContact O-CD 3.27Å; P252-F254 PolarHBondContact O-N 2.84Å; P252-W264 HydrophobicContact CG-CB 4.27Å; P252-W264 VanDerWaalsContact O-CD1 3.29Å; P252-A267 VanDerWaalsContact CD-CB 3.44Å; P252-A267 HydrophobicContact CG-CB 4.37Å
253	I	60.4	Low	53.4	Low	109 Å²	109	73.5 Å²	73.5	56%	0.559	41%	0.407	S	S	*	.			trans	-67.1	125.7	167	-62.5	171.6	0	0	0	106.1	K288 T290	I253-K288 HydrophobicContact CG1-CD 4.44Å; I253-T290 HydrophobicContact CG2-CG2 4.15Å
254	F	61.9	Low	54.3	Low	7 Å²	7	73 Å²	73	3%	0.031	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-87.3	114.8	177.6	-173.7	-118.4	0	0	0	109.2	P252 E260 Y261 W264 K288 L315	P252-F254 PolarHBondContact O-N 2.84Å; F254-E260 HydrophobicContact CD2-CB 4.15Å; F254-E260 HydrophobicContact CE2-CB 4.22Å; F254-Y261 HydrophobicContact CZ-CD2 4.32Å; F254-W264 HydrophobicContact CB-CD2 4.16Å; F254-W264 HydrophobicContact CB-CG 3.96Å; F254-W264 HydrophobicContact CD2-CB 4.02Å; F254-W264 HydrophobicContact CD2-CD2 4.29Å; F254-W264 AromaticContact CD2-CG 3.96Å; F254-W264 HydrophobicContact CD2-CG 3.96Å; F254-W264 HydrophobicContact CG-CD2 4.2Å; F254-W264 HydrophobicContact CG-CG 4.16Å; F254-K288 PolarHBondContact N-O 3.42Å; F254-L315 HydrophobicContact CE1-CD1 3.94Å; F254-L315 HydrophobicContact CE1-CD2 3.69Å; F254-L315 HydrophobicContact CE1-CG 4.44Å; F254-L315 HydrophobicContact CZ-CD1 4.4Å; F254-L315 HydrophobicContact CZ-CD2 4.34Å
255	S	55.6	Low	55.1	Low	51 Å²	51	73.2 Å²	73.2	36%	0.357	40%	0.397	S	S	.	.			trans	-79.9	-22.6	179.2	68.5	0	0	0	0	112.6	E257 E260	S255-E257 VanDerWaalsContact OG-CG 3.32Å; S255-E257 WeakPolarHBondContact OG-CG 3.21Å; S255-E257 PolarHBondContact OG-N 2.97Å; S255-E260 WeakPolarHBondContact CB-OE2 3.39Å; S255-E260 PolarHBondContact N-OE2 3.37Å; S255-E260 PolarHBondContact OG-OE1 3.49Å; S255-E260 PolarHBondContact OG-OE2 2.88Å
256	G	55.1	Low	56	Low	39 Å²	39	67.2 Å²	67.2	40%	0.402	37%	0.372	S	S	.	.	S	Bend	trans	107.6	-8	-169	0	0	0	0	0	113.2
257	E	57.3	Low	56.7	Low	117 Å²	117	60.6 Å²	60.6	55%	0.547	35%	0.345	S	S	.	.			trans	-70	132.8	-178.6	-72.1	-65	146.7	0	0	112.5	S255 A259 E260	S255-E257 VanDerWaalsContact OG-CG 3.32Å; S255-E257 WeakPolarHBondContact OG-CG 3.21Å; S255-E257 PolarHBondContact OG-N 2.97Å; E257-A259 PolarHBondContact O-N 3.37Å; E257-A259 VanDerWaalsContact O-N 3.17Å; E257-E260 HydrophobicContact CB-CG 4.07Å; E257-E260 WeakPolarHBondContact O-CB 3.33Å; E257-E260 PolarHBondContact O-N 3.34Å
258	P	57.2	Low	57.6	Low	102 Å²	102	60.7 Å²	60.7	66%	0.662	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-58.5	-31.9	-179.5	-26	33.8	0	0	0	113.9	E260 Y261	P258-E260 PolarHBondContact O-N 2.87Å; P258-Y261 WeakPolarHBondContact O-CB 3.47Å; P258-Y261 PolarHBondContact O-N 3.39Å
259	A	63	Low	58.4	Low	94 Å²	94	57.4 Å²	57.4	78%	0.777	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-66.7	-25.9	178.5	0	0	0	0	0	113	E257	E257-A259 PolarHBondContact O-N 3.37Å; E257-A259 VanDerWaalsContact O-N 3.17Å
260	E	61.8	Low	58.6	Low	66 Å²	66	49.9 Å²	49.9	31%	0.308	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-83.3	-18.5	178.8	-63.8	177.6	-168.4	0	0	112.5	F254 S255 E257 P258 L262 A263 W264	F254-E260 HydrophobicContact CD2-CB 4.15Å; F254-E260 HydrophobicContact CE2-CB 4.22Å; S255-E260 WeakPolarHBondContact CB-OE2 3.39Å; S255-E260 PolarHBondContact N-OE2 3.37Å; S255-E260 PolarHBondContact OG-OE1 3.49Å; S255-E260 PolarHBondContact OG-OE2 2.88Å; E257-E260 HydrophobicContact CB-CG 4.07Å; E257-E260 WeakPolarHBondContact O-CB 3.33Å; E257-E260 PolarHBondContact O-N 3.34Å; P258-E260 PolarHBondContact O-N 2.87Å; E260-L262 VanDerWaalsContact C-N 3.34Å; E260-L262 PolarHBondContact O-N 2.72Å; E260-A263 PolarHBondContact O-N 2.77Å; E260-W264 VanDerWaalsContact O-CB 3.3Å; E260-W264 WeakPolarHBondContact O-CB 3.35Å; E260-W264 PolarHBondContact O-N 3.1Å
261	Y	56.6	Low	58.8	Low	30 Å²	30	46 Å²	46	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-43.7	-169.3	-177.4	-91.5	0	0	0	112.7	F254 P258 W264 E265 V312 L315	F254-Y261 HydrophobicContact CZ-CD2 4.32Å; P258-Y261 WeakPolarHBondContact O-CB 3.47Å; P258-Y261 PolarHBondContact O-N 3.39Å; Y261-W264 PolarHBondContact O-N 2.96Å; Y261-E265 HydrophobicContact CE1-CB 4.29Å; Y261-E265 VanDerWaalsContact CE1-OE2 3.22Å; Y261-E265 WeakPolarHBondContact CE1-OE2 3.47Å; Y261-E265 WeakPolarHBondContact O-CB 3.36Å; Y261-E265 PolarHBondContact O-N 3.26Å; Y261-E265 PolarHBondContact OH-OE1 2.75Å; Y261-V312 WeakPolarHBondContact OH-CG1 3.3Å; Y261-V312 WeakPolarHBondContact OH-CG2 3.48Å; Y261-L315 HydrophobicContact CE2-CB 4.05Å; Y261-L315 HydrophobicContact CE2-CD1 4.13Å
262	L	60.2	Low	58.6	Low	87 Å²	87	47.7 Å²	47.7	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-65.5	-48.4	-179.6	-77.7	167.2	0	0	0	112.6	H103 E260 W264 E265 E266	H103-L262 WeakPolarHBondContact NE2-CD2 3.32Å; E260-L262 VanDerWaalsContact C-N 3.34Å; E260-L262 PolarHBondContact O-N 2.72Å; L262-W264 VanDerWaalsContact C-N 3.29Å; L262-W264 PolarHBondContact O-N 3.36Å; L262-E265 PolarHBondContact O-N 3.47Å; L262-E266 WeakPolarHBondContact O-CB 3.35Å; L262-E266 PolarHBondContact O-N 2.94Å
263	A	61.1	Low	58.3	Low	59 Å²	59	49.5 Å²	49.5	49%	0.488	29%	0.285	S	S	.	.	H	α-helix	trans	-64.9	-38	178.9	0	0	0	0	0	111.2	E260 A267	E260-A263 PolarHBondContact O-N 2.77Å; A263-A267 VanDerWaalsContact O-CB 3.27Å; A263-A267 WeakPolarHBondContact O-CB 3.49Å; A263-A267 PolarHBondContact O-N 2.81Å
264	W	64.8	Low	57.8	Low	10 Å²	10	44.8 Å²	44.8	4%	0.038	26%	0.261	C	S	.	.	H	α-helix	trans	-68.6	-46.1	175.9	-172.7	81.1	0	0	0	111.9	P252 F254 E260 Y261 L262 E266 A267 I268 L311 L315	P252-W264 HydrophobicContact CG-CB 4.27Å; P252-W264 VanDerWaalsContact O-CD1 3.29Å; F254-W264 HydrophobicContact CB-CD2 4.16Å; F254-W264 HydrophobicContact CB-CG 3.96Å; F254-W264 HydrophobicContact CD2-CB 4.02Å; F254-W264 HydrophobicContact CD2-CD2 4.29Å; F254-W264 AromaticContact CD2-CG 3.96Å; F254-W264 HydrophobicContact CD2-CG 3.96Å; F254-W264 HydrophobicContact CG-CD2 4.2Å; F254-W264 HydrophobicContact CG-CG 4.16Å; E260-W264 VanDerWaalsContact O-CB 3.3Å; E260-W264 WeakPolarHBondContact O-CB 3.35Å; E260-W264 PolarHBondContact O-N 3.1Å; Y261-W264 PolarHBondContact O-N 2.96Å; L262-W264 VanDerWaalsContact C-N 3.29Å; L262-W264 PolarHBondContact O-N 3.36Å; W264-E266 VanDerWaalsContact C-N 3.33Å; W264-E266 PolarHBondContact O-N 2.89Å; W264-A267 PolarHBondContact O-N 2.66Å; W264-A267 VanDerWaalsContact O-N 3.11Å; W264-I268 HydrophobicContact CD2-CD1 4.45Å; W264-I268 HydrophobicContact CD2-CG1 4.33Å; W264-I268 HydrophobicContact CD2-CG2 4.22Å; W264-I268 HydrophobicContact CE3-CD1 3.88Å; W264-I268 HydrophobicContact CE3-CG1 4.05Å; W264-I268 HydrophobicContact CH2-CD1 3.49Å; W264-I268 VanDerWaalsContact CH2-CD1 3.49Å; W264-I268 HydrophobicContact CH2-CG1 4.34Å; W264-I268 HydrophobicContact CZ2-CD1 4.08Å; W264-I268 HydrophobicContact CZ2-CG2 4.01Å; W264-I268 HydrophobicContact CZ3-CD1 3.37Å; W264-I268 HydrophobicContact CZ3-CG1 4.06Å; W264-I268 VanDerWaalsContact O-CG1 3.25Å; W264-I268 WeakPolarHBondContact O-CG1 3.44Å; W264-I268 PolarHBondContact O-N 2.86Å; W264-L311 HydrophobicContact CH2-CD2 4.29Å; W264-L315 HydrophobicContact CZ3-CD1 4.29Å
265	E	62.4	Low	57.1	Low	36 Å²	36	50 Å²	50	17%	0.168	30%	0.299	C	S	.	.	H	α-helix	trans	-59.5	-41.8	176.7	176.4	159.7	-116.6	0	0	111.9	Y261 L262 A269 R272	Y261-E265 HydrophobicContact CE1-CB 4.29Å; Y261-E265 VanDerWaalsContact CE1-OE2 3.22Å; Y261-E265 WeakPolarHBondContact CE1-OE2 3.47Å; Y261-E265 WeakPolarHBondContact O-CB 3.36Å; Y261-E265 PolarHBondContact O-N 3.26Å; Y261-E265 PolarHBondContact OH-OE1 2.75Å; L262-E265 PolarHBondContact O-N 3.47Å; E265-A269 WeakPolarHBondContact O-CA 3.45Å; E265-A269 WeakPolarHBondContact O-CB 3.17Å; E265-A269 PolarHBondContact O-N 3.18Å; E265-R272 IonicContact OE1-CZ 2.76Å; E265-R272 VanDerWaalsContact OE1-CZ 3.23Å; E265-R272 IonicContact OE1-NH1 2.77Å; E265-R272 PolarHBondContact OE1-NH1 3.13Å; E265-R272 IonicContact OE1-NH2 2.69Å; E265-R272 PolarHBondContact OE1-NH2 3.08Å
266	E	62.2	Low	56.8	Low	71 Å²	71	49.3 Å²	49.3	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-67.9	-35.4	173.6	-169.1	-176.7	166.8	0	0	112.4	R100 L262 W264 A269	R100-E266 IonicContact CZ-OE1 2.68Å; R100-E266 IonicContact NE-OE1 3.34Å; R100-E266 PolarHBondContact NE-OE1 3.26Å; R100-E266 IonicContact NH2-OE1 3.29Å; R100-E266 PolarHBondContact NH2-OE1 3.44Å; L262-E266 WeakPolarHBondContact O-CB 3.35Å; L262-E266 PolarHBondContact O-N 2.94Å; W264-E266 VanDerWaalsContact C-N 3.33Å; W264-E266 PolarHBondContact O-N 2.89Å; E266-A269 WeakPolarHBondContact O-CB 3.4Å
267	A	60.5	Low	56.6	Low	11 Å²	11	50.3 Å²	50.3	9%	0.091	28%	0.281	C	S	.	.	H	α-helix	trans	-70.7	-36.9	177.9	0	0	0	0	0	112.5	Q250 V251 P252 A263 W264 P270	Q250-A267 WeakPolarHBondContact O-CB 3.44Å; V251-A267 HydrophobicContact CG1-CB 4.46Å; V251-A267 HydrophobicContact CG2-CB 4.47Å; P252-A267 VanDerWaalsContact CD-CB 3.44Å; P252-A267 HydrophobicContact CG-CB 4.37Å; A263-A267 VanDerWaalsContact O-CB 3.27Å; A263-A267 WeakPolarHBondContact O-CB 3.49Å; A263-A267 PolarHBondContact O-N 2.81Å; W264-A267 PolarHBondContact O-N 2.66Å; W264-A267 VanDerWaalsContact O-N 3.11Å; A267-P270 WeakPolarHBondContact O-CD 3.48Å
268	I	59.6	Low	56.3	Low	9 Å²	9	50.7 Å²	50.7	5%	0.046	28%	0.283	C	S	.	.	H	α-helix	trans	-90	-9.9	177.4	67.9	146.6	0	0	0	113.4	V251 W264 P270 I271 R272 M284 M308	V251-I268 HydrophobicContact CG1-CG2 3.81Å; W264-I268 HydrophobicContact CD2-CD1 4.45Å; W264-I268 HydrophobicContact CD2-CG1 4.33Å; W264-I268 HydrophobicContact CD2-CG2 4.22Å; W264-I268 HydrophobicContact CE3-CD1 3.88Å; W264-I268 HydrophobicContact CE3-CG1 4.05Å; W264-I268 HydrophobicContact CH2-CD1 3.49Å; W264-I268 VanDerWaalsContact CH2-CD1 3.49Å; W264-I268 HydrophobicContact CH2-CG1 4.34Å; W264-I268 HydrophobicContact CZ2-CD1 4.08Å; W264-I268 HydrophobicContact CZ2-CG2 4.01Å; W264-I268 HydrophobicContact CZ3-CD1 3.37Å; W264-I268 HydrophobicContact CZ3-CG1 4.06Å; W264-I268 VanDerWaalsContact O-CG1 3.25Å; W264-I268 WeakPolarHBondContact O-CG1 3.44Å; W264-I268 PolarHBondContact O-N 2.86Å; I268-P270 VanDerWaalsContact O-N 3.13Å; I268-I271 HydrophobicContact CB-CD1 4.5Å; I268-I271 HydrophobicContact CG2-CD1 4.48Å; I268-I271 WeakPolarHBondContact O-CA 3.34Å; I268-I271 VanDerWaalsContact O-CB 3.23Å; I268-I271 WeakPolarHBondContact O-CB 3.29Å; I268-I271 PolarHBondContact O-N 3.5Å; I268-R272 HydrophobicContact CD1-CG 4.39Å; I268-R272 PolarHBondContact O-N 3.32Å; I268-R272 VanDerWaalsContact O-N 3.11Å; I268-M284 HydrophobicContact CG2-CE 4.26Å; I268-M308 HydrophobicContact CD1-CE 3.4Å; I268-M308 VanDerWaalsContact CD1-CE 3.4Å
269	A	59.4	Low	55.9	Low	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-35.7	-52.6	170.8	0	0	0	0	0	113.1	L99 E265 E266 I271 R272 F273	L99-A269 HydrophobicContact CD1-CB 3.11Å; L99-A269 HydrophobicContact CG-CB 4.4Å; E265-A269 WeakPolarHBondContact O-CA 3.45Å; E265-A269 WeakPolarHBondContact O-CB 3.17Å; E265-A269 PolarHBondContact O-N 3.18Å; E266-A269 WeakPolarHBondContact O-CB 3.4Å; A269-I271 PolarHBondContact O-N 2.93Å; A269-R272 WeakPolarHBondContact O-CB 3.29Å; A269-R272 PolarHBondContact O-N 3.04Å; A269-R272 VanDerWaalsContact O-N 3.08Å; A269-F273 WeakPolarHBondContact O-CD2 3.4Å; A269-F273 PolarHBondContact O-N 3.34Å
270	P	52.4	Low	55.2	Low	5 Å²	5	44.9 Å²	44.9	3%	0.032	23%	0.233	C	C	.	.	H	α-helix	trans	-73.9	-22.4	-172.9	-11.6	30.5	0	0	0	112.7	L92 R96 A267 I268 C274	L92-P270 HydrophobicContact CB-CB 4.35Å; L92-P270 HydrophobicContact CD1-CB 3.05Å; L92-P270 HydrophobicContact CD1-CG 3.93Å; L92-P270 HydrophobicContact CD2-CB 4.44Å; L92-P270 HydrophobicContact CG-CB 3.36Å; L92-P270 HydrophobicContact CG-CG 3.82Å; R96-P270 HydrophobicContact CG-CG 3.73Å; A267-P270 WeakPolarHBondContact O-CD 3.48Å; I268-P270 VanDerWaalsContact O-N 3.13Å; P270-C274 WeakPolarHBondContact O-CB 3.44Å; P270-C274 PolarHBondContact O-N 3.23Å
271	I	54.2	Low	54.8	Low	5 Å²	5	42.2 Å²	42.2	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-71.7	-35.9	174.1	-57.3	178.1	0	0	0	110	L243 V251 I268 A269 F273 C274 I280 M281 M284	L243-I271 HydrophobicContact CD1-CD1 3.94Å; L243-I271 HydrophobicContact CD2-CD1 3.78Å; L243-I271 HydrophobicContact CD2-CG1 3.56Å; V251-I271 HydrophobicContact CG2-CD1 4.47Å; I268-I271 HydrophobicContact CB-CD1 4.5Å; I268-I271 HydrophobicContact CG2-CD1 4.48Å; I268-I271 WeakPolarHBondContact O-CA 3.34Å; I268-I271 VanDerWaalsContact O-CB 3.23Å; I268-I271 WeakPolarHBondContact O-CB 3.29Å; I268-I271 PolarHBondContact O-N 3.5Å; A269-I271 PolarHBondContact O-N 2.93Å; I271-F273 VanDerWaalsContact C-N 3.3Å; I271-F273 PolarHBondContact O-N 3.27Å; I271-C274 PolarHBondContact O-N 2.97Å; I271-I280 HydrophobicContact CB-CG2 4.35Å; I271-I280 HydrophobicContact CD1-CG2 4.09Å; I271-I280 HydrophobicContact CG1-CG2 4.21Å; I271-I280 HydrophobicContact CG2-CB 3.75Å; I271-I280 HydrophobicContact CG2-CG2 3.33Å; I271-M281 HydrophobicContact CG2-CG 4.44Å; I271-M284 HydrophobicContact CD1-CE 4.2Å; I271-M284 HydrophobicContact CD1-CG 3.99Å; I271-M284 HydrophobicContact CD1-SD 4.04Å
272	R	49.5	Very low	54.6	Low	43 Å²	43	47 Å²	47	16%	0.162	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-36.4	178.7	-65.3	-176.3	178.5	-173.3	2.8	112.5	E265 I268 A269 R277 M308	E265-R272 IonicContact OE1-CZ 2.76Å; E265-R272 VanDerWaalsContact OE1-CZ 3.23Å; E265-R272 IonicContact OE1-NH1 2.77Å; E265-R272 PolarHBondContact OE1-NH1 3.13Å; E265-R272 IonicContact OE1-NH2 2.69Å; E265-R272 PolarHBondContact OE1-NH2 3.08Å; I268-R272 HydrophobicContact CD1-CG 4.39Å; I268-R272 PolarHBondContact O-N 3.32Å; I268-R272 VanDerWaalsContact O-N 3.11Å; A269-R272 WeakPolarHBondContact O-CB 3.29Å; A269-R272 PolarHBondContact O-N 3.04Å; A269-R272 VanDerWaalsContact O-N 3.08Å; R272-R277 WeakPolarHBondContact O-CD 3.5Å; R272-M308 HydrophobicContact CG-CE 4Å; R272-M308 HydrophobicContact CG-CG 4.49Å
273	F	49.4	Very low	54.1	Low	89 Å²	89	43.4 Å²	43.4	39%	0.39	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	0.2	-177.5	-63.9	-74.4	0	0	0	114	N95 L99 A269 I271	N95-F273 HydrophobicContact CB-CB 4.01Å; N95-F273 HydrophobicContact CB-CD2 3.7Å; N95-F273 HydrophobicContact CB-CE2 4.48Å; N95-F273 HydrophobicContact CB-CG 4.09Å; N95-F273 WeakPolarHBondContact ND2-CB 3.29Å; L99-F273 HydrophobicContact CD1-CD2 4.44Å; L99-F273 HydrophobicContact CD1-CE2 3.56Å; L99-F273 HydrophobicContact CD1-CZ 4.39Å; L99-F273 HydrophobicContact CG-CE2 3.88Å; L99-F273 HydrophobicContact CG-CZ 4.36Å; A269-F273 WeakPolarHBondContact O-CD2 3.4Å; A269-F273 PolarHBondContact O-N 3.34Å; I271-F273 VanDerWaalsContact C-N 3.3Å; I271-F273 PolarHBondContact O-N 3.27Å
274	C	49.3	Very low	53.6	Low	9 Å²	9	41.3 Å²	41.3	6%	0.061	20%	0.203	C	C	.	.	S	Bend	trans	-75.5	136.3	173.8	179.7	0	0	0	0	110.6	F88 P270 I271 F276 R277 I280	F88-C274 HydrophobicContact CE2-CB 4.21Å; F88-C274 VanDerWaalsContact CE2-SG 3.54Å; F88-C274 HydrophobicContact CZ-CB 4.42Å; P270-C274 WeakPolarHBondContact O-CB 3.44Å; P270-C274 PolarHBondContact O-N 3.23Å; I271-C274 PolarHBondContact O-N 2.97Å; C274-F276 PolarHBondContact O-N 3.05Å; C274-F276 WeakPolarHBondContact SG-CD2 3.21Å; C274-F276 PolarHBondContact SG-N 2.86Å; C274-F276 VanDerWaalsContact SG-N 3.45Å; C274-R277 WeakPolarHBondContact O-CB 3.41Å; C274-R277 PolarHBondContact O-N 3.22Å; C274-I280 HydrophobicContact CB-CD1 4.19Å
275	S	47.4	Very low	53.1	Low	116 Å²	116	42.2 Å²	42.2	81%	0.811	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-15.1	174.5	-44.3	0	0	0	0	114
276	F	48.9	Very low	52.6	Low	37 Å²	37	43.6 Å²	43.6	16%	0.162	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	14.5	178.2	-50.8	-54.1	0	0	0	113.8	I79 V82 I83 C274 Q278 L279 I280	I79-F276 HydrophobicContact CB-CD1 4.42Å; I79-F276 HydrophobicContact CB-CE1 4.15Å; I79-F276 HydrophobicContact CB-CE2 4.26Å; I79-F276 HydrophobicContact CB-CZ 4.03Å; I79-F276 HydrophobicContact CD1-CD1 3.85Å; I79-F276 HydrophobicContact CD1-CE1 4.11Å; I79-F276 HydrophobicContact CD1-CG 4.44Å; I79-F276 HydrophobicContact CG1-CD1 3.63Å; I79-F276 HydrophobicContact CG1-CE1 3.4Å; I79-F276 HydrophobicContact CG1-CE2 4.38Å; I79-F276 HydrophobicContact CG1-CG 4.27Å; I79-F276 HydrophobicContact CG1-CZ 3.77Å; I79-F276 HydrophobicContact CG2-CD1 4.14Å; I79-F276 HydrophobicContact CG2-CD2 3.7Å; I79-F276 HydrophobicContact CG2-CE1 4.23Å; I79-F276 HydrophobicContact CG2-CE2 3.73Å; I79-F276 HydrophobicContact CG2-CG 3.91Å; I79-F276 HydrophobicContact CG2-CZ 4Å; V82-F276 HydrophobicContact CB-CE2 4.35Å; V82-F276 HydrophobicContact CB-CZ 4.27Å; V82-F276 HydrophobicContact CG1-CE2 4.13Å; V82-F276 HydrophobicContact CG1-CZ 4.25Å; I83-F276 HydrophobicContact CD1-CD2 4.36Å; I83-F276 HydrophobicContact CD1-CE2 4.39Å; I83-F276 HydrophobicContact CG1-CE2 4.34Å; C274-F276 PolarHBondContact O-N 3.05Å; C274-F276 WeakPolarHBondContact SG-CD2 3.21Å; C274-F276 PolarHBondContact SG-N 2.86Å; C274-F276 VanDerWaalsContact SG-N 3.45Å; F276-Q278 VanDerWaalsContact C-N 3.3Å; F276-Q278 PolarHBondContact O-N 3.43Å; F276-L279 PolarHBondContact O-N 2.9Å; F276-I280 HydrophobicContact CB-CD1 3.69Å; F276-I280 HydrophobicContact CB-CG1 3.93Å; F276-I280 WeakPolarHBondContact O-CG1 3.31Å; F276-I280 PolarHBondContact O-N 2.85Å; F276-I280 VanDerWaalsContact O-N 3.1Å
277	R	51.6	Low	52.3	Low	60 Å²	60	43.1 Å²	43.1	23%	0.226	22%	0.22	C	C	.	.	H	α-helix	trans	-32.8	-55.6	-178.9	-175.8	177.1	169.2	-142.5	-10.6	114.2	R272 C274 L279 M281 N306 M308	R272-R277 WeakPolarHBondContact O-CD 3.5Å; C274-R277 WeakPolarHBondContact O-CB 3.41Å; C274-R277 PolarHBondContact O-N 3.22Å; R277-L279 PolarHBondContact O-N 3.39Å; R277-M281 HydrophobicContact CB-SD 4.48Å; R277-M281 HydrophobicContact CG-CE 3.68Å; R277-M281 HydrophobicContact CG-SD 3.31Å; R277-M281 WeakPolarHBondContact CG-SD 3.48Å; R277-M281 WeakPolarHBondContact O-CB 3.49Å; R277-M281 WeakPolarHBondContact O-CE 3.05Å; R277-M281 WeakPolarHBondContact O-CG 3.25Å; R277-M281 PolarHBondContact O-N 3.38Å; R277-M281 VanDerWaalsContact O-SD 3.37Å; R277-N306 PolarHBondContact NH1-OD1 2.98Å; R277-N306 PolarHBondContact NH2-OD1 2.78Å; R277-M308 VanDerWaalsContact NH2-CG 3.32Å
278	Q	50.7	Low	52.1	Low	125 Å²	125	44.1 Å²	44.1	58%	0.584	22%	0.223	S	C	*	.	H	α-helix	trans	-65.4	-38.6	-177.2	-70.3	-165.8	-8.5	0	0	114.7	F276 K282	F276-Q278 VanDerWaalsContact C-N 3.3Å; F276-Q278 PolarHBondContact O-N 3.43Å; Q278-K282 PolarHBondContact O-N 3.48Å
279	L	49	Very low	51.9	Low	75 Å²	75	44.6 Å²	44.6	39%	0.393	23%	0.226	S	C	.	.	H	α-helix	trans	-73.4	-45.3	-177.6	-164.7	83.8	0	0	0	110.3	I79 F276 R277 M281 K282 L283	I79-L279 HydrophobicContact CD1-CD2 3.96Å; F276-L279 PolarHBondContact O-N 2.9Å; R277-L279 PolarHBondContact O-N 3.39Å; L279-M281 VanDerWaalsContact C-N 3.35Å; L279-K282 PolarHBondContact O-N 3.33Å; L279-L283 HydrophobicContact CG-CD1 4.42Å; L279-L283 WeakPolarHBondContact O-CD1 3.28Å; L279-L283 WeakPolarHBondContact O-CG 3.25Å; L279-L283 PolarHBondContact O-N 3.36Å
280	I	49.4	Very low	51.7	Low	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-40.2	-178.9	-55.4	173.9	0	0	0	109.9	F239 I242 I271 C274 F276 L283 M284	F239-I280 HydrophobicContact CD1-CG2 4.46Å; F239-I280 HydrophobicContact CE1-CG2 3.75Å; I242-I280 HydrophobicContact CD1-CG1 4.08Å; I242-I280 HydrophobicContact CG2-CD1 3.5Å; I242-I280 VanDerWaalsContact CG2-CD1 3.5Å; I242-I280 HydrophobicContact CG2-CG1 4.04Å; I271-I280 HydrophobicContact CB-CG2 4.35Å; I271-I280 HydrophobicContact CD1-CG2 4.09Å; I271-I280 HydrophobicContact CG1-CG2 4.21Å; I271-I280 HydrophobicContact CG2-CB 3.75Å; I271-I280 HydrophobicContact CG2-CG2 3.33Å; C274-I280 HydrophobicContact CB-CD1 4.19Å; F276-I280 HydrophobicContact CB-CD1 3.69Å; F276-I280 HydrophobicContact CB-CG1 3.93Å; F276-I280 WeakPolarHBondContact O-CG1 3.31Å; F276-I280 PolarHBondContact O-N 2.85Å; F276-I280 VanDerWaalsContact O-N 3.1Å; I280-L283 PolarHBondContact O-N 3.06Å; I280-M284 HydrophobicContact CG2-CG 4.09Å; I280-M284 WeakPolarHBondContact O-CB 3.4Å; I280-M284 VanDerWaalsContact O-CG 3.26Å; I280-M284 WeakPolarHBondContact O-CG 3.46Å; I280-M284 PolarHBondContact O-N 3.15Å
281	M	52.8	Low	51.9	Low	9 Å²	9	51.1 Å²	51.1	4%	0.044	27%	0.269	C	S	.	.	H	α-helix	trans	-65.6	-41.5	178.9	-72.3	169.6	-11.9	0	0	113.3	I271 R277 L279 L283 M284 L285 P307 M308	I271-M281 HydrophobicContact CG2-CG 4.44Å; R277-M281 HydrophobicContact CB-SD 4.48Å; R277-M281 HydrophobicContact CG-CE 3.68Å; R277-M281 HydrophobicContact CG-SD 3.31Å; R277-M281 WeakPolarHBondContact CG-SD 3.48Å; R277-M281 WeakPolarHBondContact O-CB 3.49Å; R277-M281 WeakPolarHBondContact O-CE 3.05Å; R277-M281 WeakPolarHBondContact O-CG 3.25Å; R277-M281 PolarHBondContact O-N 3.38Å; R277-M281 VanDerWaalsContact O-SD 3.37Å; L279-M281 VanDerWaalsContact C-N 3.35Å; M281-L283 VanDerWaalsContact C-N 3.25Å; M281-L283 PolarHBondContact O-N 3.4Å; M281-M284 PolarHBondContact O-N 3.11Å; M281-L285 WeakPolarHBondContact O-CB 3.2Å; M281-L285 WeakPolarHBondContact O-CG 3.36Å; M281-L285 PolarHBondContact O-N 2.94Å; M281-P307 HydrophobicContact CE-CG 3.74Å; M281-M308 HydrophobicContact CE-CG 4.06Å; M281-M308 HydrophobicContact CE-SD 4.36Å; M281-M308 HydrophobicContact CG-CG 4.49Å; M281-M308 HydrophobicContact CG-SD 3.91Å; M281-M308 HydrophobicContact SD-CG 3.14Å; M281-M308 WeakPolarHBondContact SD-CG 3.33Å; M281-M308 HydrophobicContact SD-SD 3.26Å
282	K	52.4	Low	51.8	Low	132 Å²	132	56 Å²	56	57%	0.574	29%	0.292	S	S	*	.	H	α-helix	trans	-57.9	-42.4	174.7	-83.4	-171.9	178.1	-174.9	0	111.7	Q278 L279 S286 M302	Q278-K282 PolarHBondContact O-N 3.48Å; L279-K282 PolarHBondContact O-N 3.33Å; K282-S286 PolarHBondContact O-N 2.93Å; K282-S286 PolarHBondContact O-OG 2.87Å; K282-M302 HydrophobicContact CD-CE 4.12Å; K282-M302 HydrophobicContact CG-CE 3.75Å; K282-M302 HydrophobicContact CG-SD 4.12Å
283	L	49.1	Very low	52	Low	11 Å²	11	54.3 Å²	54.3	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-69.3	-41.2	178.6	-67.2	161.4	0	0	0	110.6	L231 A235 L238 F239 L279 I280 M281 S286 Q287	L231-L283 HydrophobicContact CD1-CD2 3.47Å; L231-L283 VanDerWaalsContact CD1-CD2 3.47Å; L231-L283 HydrophobicContact CG-CD2 4.2Å; A235-L283 HydrophobicContact CB-CD2 3.67Å; L238-L283 HydrophobicContact CD2-CD1 3.64Å; F239-L283 HydrophobicContact CE1-CB 4.04Å; F239-L283 HydrophobicContact CE2-CB 3.57Å; F239-L283 HydrophobicContact CZ-CB 3.12Å; F239-L283 HydrophobicContact CZ-CD1 4.5Å; F239-L283 HydrophobicContact CZ-CG 4.37Å; L279-L283 HydrophobicContact CG-CD1 4.42Å; L279-L283 WeakPolarHBondContact O-CD1 3.28Å; L279-L283 WeakPolarHBondContact O-CG 3.25Å; L279-L283 PolarHBondContact O-N 3.36Å; I280-L283 PolarHBondContact O-N 3.06Å; M281-L283 VanDerWaalsContact C-N 3.25Å; M281-L283 PolarHBondContact O-N 3.4Å; L283-S286 PolarHBondContact O-N 3.43Å; L283-S286 PolarHBondContact O-OG 3.27Å; L283-Q287 PolarHBondContact O-N 2.87Å
284	M	50.7	Low	52.1	Low	14 Å²	14	52.8 Å²	52.8	7%	0.069	28%	0.283	C	S	.	.	H	α-helix	trans	-69.4	-45.9	-172.9	-81.3	-62.9	-63.3	0	0	110.7	F239 V251 I268 I271 I280 M281 S286 Q287 K288	F239-M284 HydrophobicContact CD1-CG 4.49Å; F239-M284 HydrophobicContact CD1-SD 3.85Å; F239-M284 HydrophobicContact CE1-CG 3.48Å; F239-M284 VanDerWaalsContact CE1-CG 3.48Å; F239-M284 HydrophobicContact CE1-SD 3.33Å; F239-M284 WeakPolarHBondContact CE1-SD 3.14Å; F239-M284 HydrophobicContact CE2-SD 4.35Å; F239-M284 HydrophobicContact CZ-CB 4.25Å; F239-M284 HydrophobicContact CZ-CG 3.65Å; F239-M284 HydrophobicContact CZ-SD 3.59Å; F239-M284 VanDerWaalsContact CZ-SD 3.59Å; V251-M284 HydrophobicContact CB-CE 3.95Å; V251-M284 HydrophobicContact CG1-CE 3.37Å; V251-M284 HydrophobicContact CG2-CE 4.03Å; I268-M284 HydrophobicContact CG2-CE 4.26Å; I271-M284 HydrophobicContact CD1-CE 4.2Å; I271-M284 HydrophobicContact CD1-CG 3.99Å; I271-M284 HydrophobicContact CD1-SD 4.04Å; I280-M284 HydrophobicContact CG2-CG 4.09Å; I280-M284 WeakPolarHBondContact O-CB 3.4Å; I280-M284 VanDerWaalsContact O-CG 3.26Å; I280-M284 WeakPolarHBondContact O-CG 3.46Å; I280-M284 PolarHBondContact O-N 3.15Å; M281-M284 PolarHBondContact O-N 3.11Å; M284-S286 PolarHBondContact O-N 3.18Å; M284-Q287 PolarHBondContact O-N 3.02Å; M284-K288 HydrophobicContact CE-CB 4.08Å; M284-K288 HydrophobicContact CE-CG 3.87Å; M284-K288 PolarHBondContact O-N 3.27Å; M284-K288 HydrophobicContact SD-CG 4.34Å
285	L	54.8	Low	52.2	Low	29 Å²	29	57.8 Å²	57.8	15%	0.152	30%	0.304	C	S	.	.	H	α-helix	trans	-60.6	-36.4	177	-72.7	167.3	0	0	0	111.1	M281 Q287 V289 L294 V297 L311	M281-L285 WeakPolarHBondContact O-CB 3.2Å; M281-L285 WeakPolarHBondContact O-CG 3.36Å; M281-L285 PolarHBondContact O-N 2.94Å; L285-Q287 VanDerWaalsContact C-N 3.32Å; L285-Q287 PolarHBondContact O-N 3.01Å; L285-V289 HydrophobicContact CD2-CG2 3.74Å; L285-L294 WeakPolarHBondContact O-CD1 3.28Å; L285-V297 HydrophobicContact CD1-CG1 4.06Å; L285-V297 HydrophobicContact CD2-CG1 3.81Å; L285-V297 HydrophobicContact CD2-CG2 4.1Å; L285-V297 HydrophobicContact CG-CG1 4.4Å; L285-L311 HydrophobicContact CD2-CD2 3.94Å
286	S	52.3	Low	52.1	Low	65 Å²	65	54.9 Å²	54.9	46%	0.455	28%	0.278	S	S	.	.	H	α-helix	trans	-73	-19.2	179.8	69.6	0	0	0	0	114.9	K282 L283 M284	K282-S286 PolarHBondContact O-N 2.93Å; K282-S286 PolarHBondContact O-OG 2.87Å; L283-S286 PolarHBondContact O-N 3.43Å; L283-S286 PolarHBondContact O-OG 3.27Å; M284-S286 PolarHBondContact O-N 3.18Å
287	Q	54.6	Low	52	Low	62 Å²	62	54.1 Å²	54.1	29%	0.29	28%	0.277	S	S	.	.	H	α-helix	trans	-118.6	-31.1	-173.2	-72.3	-166	-23.1	0	0	115.3	A232 F239 L283 M284 L285	A232-Q287 PolarHBondContact O-NE2 2.99Å; F239-Q287 VanDerWaalsContact CE2-OE1 3.3Å; L283-Q287 PolarHBondContact O-N 2.87Å; M284-Q287 PolarHBondContact O-N 3.02Å; L285-Q287 VanDerWaalsContact C-N 3.32Å; L285-Q287 PolarHBondContact O-N 3.01Å
288	K	57.2	Low	52	Low	32 Å²	32	59.2 Å²	59.2	14%	0.139	30%	0.301	C	S	.	.	H	α-helix	trans	-113.7	2.9	-168.2	-63.9	-73.4	-177.9	167.5	0	114	E248 I253 F254 M284	E248-K288 PolarHBondContact O-NZ 3.35Å; E248-K288 VanDerWaalsContact O-NZ 3.12Å; I253-K288 HydrophobicContact CG1-CD 4.44Å; F254-K288 PolarHBondContact N-O 3.42Å; M284-K288 HydrophobicContact CE-CB 4.08Å; M284-K288 HydrophobicContact CE-CG 3.87Å; M284-K288 PolarHBondContact O-N 3.27Å; M284-K288 HydrophobicContact SD-CG 4.34Å
289	V	54.6	Low	51.4	Low	18 Å²	18	64.4 Å²	64.4	11%	0.109	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-108.1	124.1	174.8	-179	0	0	0	0	107.4	L285 A293 L294 V297	L285-V289 HydrophobicContact CD2-CG2 3.74Å; V289-A293 VanDerWaalsContact CG1-C 3.42Å; V289-A293 HydrophobicContact CG1-CB 3.29Å; V289-L294 HydrophobicContact CB-CD1 4.3Å; V289-L294 HydrophobicContact CG1-CB 4.41Å; V289-L294 HydrophobicContact CG1-CD1 4.47Å; V289-V297 HydrophobicContact CG1-CG2 4.35Å
290	T	56.5	Low	51.2	Low	52 Å²	52	62.1 Å²	62.1	32%	0.319	30%	0.303	S	S	.	.			trans	-57	154.4	177.7	56.2	0	0	0	0	110.4	I253 E292 A293 L294	I253-T290 HydrophobicContact CG2-CG2 4.15Å; T290-E292 PolarHBondContact O-N 2.91Å; T290-A293 CarbonylContact O-C 2.78Å; T290-A293 PolarHBondContact O-N 3.44Å; T290-L294 WeakPolarHBondContact O-CB 3.26Å; T290-L294 PolarHBondContact O-N 2.68Å
291	S	55.1	Low	50.7	Low	90 Å²	90	63.7 Å²	63.7	63%	0.629	32%	0.319	S	S	*	.	H	α-helix	trans	-55.8	-27.9	-177.8	56.4	0	0	0	0	113.3	K295	S291-K295 WeakPolarHBondContact O-CG 3.47Å; S291-K295 PolarHBondContact O-N 3.29Å
292	E	53.3	Low	50.2	Low	108 Å²	108	66.4 Å²	66.4	51%	0.505	33%	0.332	S	S	.	.	H	α-helix	trans	-74.2	-47.2	177.2	-137.7	57.1	-153.1	0	0	111.3	T290 L294 K295 I296	T290-E292 PolarHBondContact O-N 2.91Å; E292-L294 VanDerWaalsContact C-N 3.25Å; E292-L294 PolarHBondContact O-N 3.42Å; E292-K295 WeakPolarHBondContact O-CB 3.44Å; E292-K295 PolarHBondContact O-N 3.43Å; E292-K295 VanDerWaalsContact O-N 3.12Å; E292-K295 IonicContact OE1-NZ 3.44Å; E292-K295 PolarHBondContact OE1-NZ 3.43Å; E292-K295 IonicContact OE2-NZ 3.83Å; E292-K295 PolarHBondContact OE2-NZ 2.92Å; E292-I296 PolarHBondContact O-N 3.23Å
293	A	52.2	Low	50	Low	7 Å²	7	67.8 Å²	67.8	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-66.8	-26.9	172.4	0	0	0	0	0	112.4	V289 T290 K295 I296 V297	V289-A293 VanDerWaalsContact CG1-C 3.42Å; V289-A293 HydrophobicContact CG1-CB 3.29Å; T290-A293 CarbonylContact O-C 2.78Å; T290-A293 PolarHBondContact O-N 3.44Å; A293-K295 VanDerWaalsContact C-N 3.3Å; A293-K295 PolarHBondContact O-N 2.98Å; A293-I296 WeakPolarHBondContact O-CB 2.92Å; A293-I296 PolarHBondContact O-N 3.33Å; A293-V297 VanDerWaalsContact O-CG2 3.27Å; A293-V297 WeakPolarHBondContact O-CG2 3.25Å; A293-V297 PolarHBondContact O-N 3.3Å
294	L	52.4	Low	50	Low	58 Å²	58	72.4 Å²	72.4	30%	0.304	37%	0.367	S	S	.	.	H	α-helix	trans	-68	-30.1	174.2	-156.7	89	0	0	0	111.9	L285 V289 T290 E292 I296 V297 K298	L285-L294 WeakPolarHBondContact O-CD1 3.28Å; V289-L294 HydrophobicContact CB-CD1 4.3Å; V289-L294 HydrophobicContact CG1-CB 4.41Å; V289-L294 HydrophobicContact CG1-CD1 4.47Å; T290-L294 WeakPolarHBondContact O-CB 3.26Å; T290-L294 PolarHBondContact O-N 2.68Å; E292-L294 VanDerWaalsContact C-N 3.25Å; E292-L294 PolarHBondContact O-N 3.42Å; L294-I296 VanDerWaalsContact C-N 3.32Å; L294-V297 PolarHBondContact O-N 3.44Å; L294-K298 PolarHBondContact O-N 2.91Å
295	K	51	Low	49.9	Very low	114 Å²	114	77.6 Å²	77.6	50%	0.496	40%	0.402	S	S	.	.	H	α-helix	trans	-67.4	-35.5	172.8	-71	166.6	-177.8	163.3	0	111.2	S291 E292 A293	S291-K295 WeakPolarHBondContact O-CG 3.47Å; S291-K295 PolarHBondContact O-N 3.29Å; E292-K295 WeakPolarHBondContact O-CB 3.44Å; E292-K295 PolarHBondContact O-N 3.43Å; E292-K295 VanDerWaalsContact O-N 3.12Å; E292-K295 IonicContact OE1-NZ 3.44Å; E292-K295 PolarHBondContact OE1-NZ 3.43Å; E292-K295 IonicContact OE2-NZ 3.83Å; E292-K295 PolarHBondContact OE2-NZ 2.92Å; A293-K295 VanDerWaalsContact C-N 3.3Å; A293-K295 PolarHBondContact O-N 2.98Å
296	I	46.5	Very low	49.8	Very low	54 Å²	54	78.2 Å²	78.2	28%	0.277	41%	0.405	S	S	.	.	H	α-helix	trans	-68.2	-45.9	174.1	-62.9	167	0	0	0	109.9	E292 A293 L294 K298 E318	E292-I296 PolarHBondContact O-N 3.23Å; A293-I296 WeakPolarHBondContact O-CB 2.92Å; A293-I296 PolarHBondContact O-N 3.33Å; L294-I296 VanDerWaalsContact C-N 3.32Å; I296-K298 VanDerWaalsContact C-N 3.31Å; I296-K298 PolarHBondContact O-N 2.87Å; I296-E318 WeakPolarHBondContact CD1-OE1 3.49Å; I296-E318 WeakPolarHBondContact CD1-OE2 3.26Å; I296-E318 WeakPolarHBondContact CG2-OE2 3.48Å
297	V	46.6	Very low	49.7	Very low	21 Å²	21	75.6 Å²	75.6	13%	0.127	39%	0.387	C	S	.	.	H	α-helix	trans	-67.5	-26.8	180	175.5	0	0	0	0	113.2	L285 V289 A293 L294 W299 I300 L311	L285-V297 HydrophobicContact CD1-CG1 4.06Å; L285-V297 HydrophobicContact CD2-CG1 3.81Å; L285-V297 HydrophobicContact CD2-CG2 4.1Å; L285-V297 HydrophobicContact CG-CG1 4.4Å; V289-V297 HydrophobicContact CG1-CG2 4.35Å; A293-V297 VanDerWaalsContact O-CG2 3.27Å; A293-V297 WeakPolarHBondContact O-CG2 3.25Å; A293-V297 PolarHBondContact O-N 3.3Å; L294-V297 PolarHBondContact O-N 3.44Å; V297-W299 PolarHBondContact O-N 3.48Å; V297-I300 PolarHBondContact O-N 3.49Å; V297-L311 HydrophobicContact CG1-CD1 4.49Å; V297-L311 HydrophobicContact CG2-CD1 3.68Å
298	K	50.2	Low	49.5	Very low	168 Å²	168	73.3 Å²	73.3	73%	0.73	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.5	-179.5	-101.2	-178.7	177	179.4	0	114.6	L294 I296	L294-K298 PolarHBondContact O-N 2.91Å; I296-K298 VanDerWaalsContact C-N 3.31Å; I296-K298 PolarHBondContact O-N 2.87Å
299	W	38.8	Very low	49.4	Very low	234 Å²	234	77.3 Å²	77.3	89%	0.886	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-10.2	178.6	-70.6	89.9	0	0	0	114.1	V297 G301	V297-W299 PolarHBondContact O-N 3.48Å; W299-G301 PolarHBondContact O-N 3.31Å
300	I	44.3	Very low	49.5	Very low	27 Å²	27	77.8 Å²	77.8	14%	0.138	40%	0.401	C	S	.	.	S	Bend	trans	-86.3	89.6	-176.8	-50.7	-174.5	0	0	0	106.9	V297 M302 A310 L311 A314	V297-I300 PolarHBondContact O-N 3.49Å; I300-M302 PolarHBondContact O-N 2.85Å; I300-A310 HydrophobicContact CG2-CB 3.73Å; I300-L311 HydrophobicContact CD1-CB 4.31Å; I300-L311 HydrophobicContact CD1-CD1 3.6Å; I300-L311 HydrophobicContact CG2-CB 4.5Å; I300-A314 HydrophobicContact CD1-CB 3.34Å; I300-A314 HydrophobicContact CG1-CB 4.14Å
301	G	38.6	Very low	49.4	Very low	32 Å²	32	75.6 Å²	75.6	33%	0.33	39%	0.387	S	S	.	.			trans	-46.6	109.7	-179.7	0	0	0	0	0	110.7	W299 D303 Q304	W299-G301 PolarHBondContact O-N 3.31Å; G301-D303 PolarHBondContact O-N 3.42Å; G301-Q304 WeakPolarHBondContact O-CB 3.26Å; G301-Q304 VanDerWaalsContact O-CG 3.31Å; G301-Q304 WeakPolarHBondContact O-CG 3.33Å; G301-Q304 PolarHBondContact O-N 2.94Å
302	M	43.8	Very low	49.4	Very low	67 Å²	67	71.7 Å²	71.7	33%	0.33	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-8.1	167	-80.5	-80.5	-36.2	0	0	112.9	K282 I300	K282-M302 HydrophobicContact CD-CE 4.12Å; K282-M302 HydrophobicContact CG-CE 3.75Å; K282-M302 HydrophobicContact CG-SD 4.12Å; I300-M302 PolarHBondContact O-N 2.85Å
303	D	47.5	Very low	49.7	Very low	161 Å²	161	70.6 Å²	70.6	86%	0.861	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-4.6	175.9	-54.6	-40.6	0	0	0	113.3	G301	G301-D303 PolarHBondContact O-N 3.42Å
304	Q	49.3	Very low	49.7	Very low	108 Å²	108	71.4 Å²	71.4	51%	0.505	36%	0.364	S	S	.	.	S	Bend	trans	-68.4	144.1	173.4	-71.3	-73.2	-16.8	0	0	110.6	G301 N306 P307 A310	G301-Q304 WeakPolarHBondContact O-CB 3.26Å; G301-Q304 VanDerWaalsContact O-CG 3.31Å; G301-Q304 WeakPolarHBondContact O-CG 3.33Å; G301-Q304 PolarHBondContact O-N 2.94Å; Q304-N306 PolarHBondContact O-N 3.32Å; Q304-N306 VanDerWaalsContact O-N 3.15Å; Q304-P307 WeakPolarHBondContact O-CD 3.27Å; Q304-A310 HydrophobicContact CB-CB 4.5Å; Q304-A310 HydrophobicContact CG-CB 4.36Å
305	P	47.8	Very low	49.6	Very low	122 Å²	122	69.9 Å²	69.9	79%	0.792	36%	0.356	S	S	*	.	S	Bend	trans	-61.2	-26.2	177.6	25.1	-33	0	0	0	111.9
306	N	54.1	Low	50	Low	43 Å²	43	70.9 Å²	70.9	23%	0.23	36%	0.361	C	S	.	.			trans	-133.1	77.4	178.9	-159.6	-18.2	0	0	0	111.7	R277 Q304 M308 E309 A310	R277-N306 PolarHBondContact NH1-OD1 2.98Å; R277-N306 PolarHBondContact NH2-OD1 2.78Å; Q304-N306 PolarHBondContact O-N 3.32Å; Q304-N306 VanDerWaalsContact O-N 3.15Å; N306-M308 PolarHBondContact O-N 2.83Å; N306-M308 VanDerWaalsContact O-N 3.14Å; N306-E309 HydrophobicContact CB-CB 4.18Å; N306-E309 WeakPolarHBondContact ND2-CG 3.35Å; N306-E309 PolarHBondContact ND2-OE1 3.1Å; N306-E309 PolarHBondContact ND2-OE2 3.33Å; N306-E309 PolarHBondContact O-N 2.92Å; N306-E309 PolarHBondContact OD1-N 2.66Å; N306-A310 PolarHBondContact O-N 3.41Å; N306-A310 VanDerWaalsContact O-N 3.07Å
307	P	50.3	Low	50.6	Low	10 Å²	10	79.3 Å²	79.3	7%	0.065	39%	0.389	C	S	.	.	H	α-helix	trans	-66.6	-18.3	-173.8	26.9	-34.6	0	0	0	113.7	M281 Q304 L311	M281-P307 HydrophobicContact CE-CG 3.74Å; Q304-P307 WeakPolarHBondContact O-CD 3.27Å; P307-L311 VanDerWaalsContact O-CB 3.24Å; P307-L311 WeakPolarHBondContact O-CB 3.14Å; P307-L311 PolarHBondContact O-N 2.93Å
308	M	50	Low	50.5	Low	14 Å²	14	86.3 Å²	86.3	7%	0.069	42%	0.42	C	S	.	.	H	α-helix	trans	-79.7	-41.7	173.5	-72.1	-60	-60.1	0	0	112.9	I268 R272 R277 M281 N306 A310 L311 V312	I268-M308 HydrophobicContact CD1-CE 3.4Å; I268-M308 VanDerWaalsContact CD1-CE 3.4Å; R272-M308 HydrophobicContact CG-CE 4Å; R272-M308 HydrophobicContact CG-CG 4.49Å; R277-M308 VanDerWaalsContact NH2-CG 3.32Å; M281-M308 HydrophobicContact CE-CG 4.06Å; M281-M308 HydrophobicContact CE-SD 4.36Å; M281-M308 HydrophobicContact CG-CG 4.49Å; M281-M308 HydrophobicContact CG-SD 3.91Å; M281-M308 HydrophobicContact SD-CG 3.14Å; M281-M308 WeakPolarHBondContact SD-CG 3.33Å; M281-M308 HydrophobicContact SD-SD 3.26Å; N306-M308 PolarHBondContact O-N 2.83Å; N306-M308 VanDerWaalsContact O-N 3.14Å; M308-A310 VanDerWaalsContact C-N 3.27Å; M308-L311 HydrophobicContact CE-CD2 4.17Å; M308-L311 PolarHBondContact O-N 3.31Å; M308-L311 HydrophobicContact SD-CD2 4.05Å; M308-V312 VanDerWaalsContact O-CB 3.27Å; M308-V312 WeakPolarHBondContact O-CB 3.35Å; M308-V312 WeakPolarHBondContact O-CG2 3.43Å; M308-V312 PolarHBondContact O-N 3.31Å
309	E	55.7	Low	50.5	Low	115 Å²	115	82.2 Å²	82.2	54%	0.537	41%	0.405	S	S	.	.	H	α-helix	trans	-62.4	-43.2	173.2	-80.9	174.8	-166.9	0	0	109.4	N306 L311 V312 D313	N306-E309 HydrophobicContact CB-CB 4.18Å; N306-E309 WeakPolarHBondContact ND2-CG 3.35Å; N306-E309 PolarHBondContact ND2-OE1 3.1Å; N306-E309 PolarHBondContact ND2-OE2 3.33Å; N306-E309 PolarHBondContact O-N 2.92Å; N306-E309 PolarHBondContact OD1-N 2.66Å; E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 3.2Å; E309-V312 PolarHBondContact O-N 3.14Å; E309-D313 WeakPolarHBondContact O-CB 3.38Å; E309-D313 PolarHBondContact O-N 3.27Å
310	A	56.3	Low	51.1	Low	28 Å²	28	74.2 Å²	74.2	23%	0.231	38%	0.379	C	S	.	.	H	α-helix	trans	-60.1	-39.1	173.9	0	0	0	0	0	112.9	I300 Q304 N306 M308 A314	I300-A310 HydrophobicContact CG2-CB 3.73Å; Q304-A310 HydrophobicContact CB-CB 4.5Å; Q304-A310 HydrophobicContact CG-CB 4.36Å; N306-A310 PolarHBondContact O-N 3.41Å; N306-A310 VanDerWaalsContact O-N 3.07Å; M308-A310 VanDerWaalsContact C-N 3.27Å; A310-A314 WeakPolarHBondContact O-CB 3.34Å; A310-A314 PolarHBondContact O-N 3.16Å
311	L	53	Low	51.5	Low	6 Å²	6	76.8 Å²	76.8	3%	0.031	39%	0.393	C	S	.	.	H	α-helix	trans	-65.3	-49.9	174.1	177.8	63.1	0	0	0	112.4	W264 L285 V297 I300 P307 M308 E309 D313 A314 L315	W264-L311 HydrophobicContact CH2-CD2 4.29Å; L285-L311 HydrophobicContact CD2-CD2 3.94Å; V297-L311 HydrophobicContact CG1-CD1 4.49Å; V297-L311 HydrophobicContact CG2-CD1 3.68Å; I300-L311 HydrophobicContact CD1-CB 4.31Å; I300-L311 HydrophobicContact CD1-CD1 3.6Å; I300-L311 HydrophobicContact CG2-CB 4.5Å; P307-L311 VanDerWaalsContact O-CB 3.24Å; P307-L311 WeakPolarHBondContact O-CB 3.14Å; P307-L311 PolarHBondContact O-N 2.93Å; M308-L311 HydrophobicContact CE-CD2 4.17Å; M308-L311 PolarHBondContact O-N 3.31Å; M308-L311 HydrophobicContact SD-CD2 4.05Å; E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 3.2Å; L311-D313 VanDerWaalsContact C-N 3.35Å; L311-A314 PolarHBondContact O-N 2.98Å; L311-L315 HydrophobicContact CD1-CD1 4.14Å; L311-L315 HydrophobicContact CD1-CG 4.23Å; L311-L315 HydrophobicContact CG-CD1 4.15Å; L311-L315 WeakPolarHBondContact O-CB 3.28Å; L311-L315 VanDerWaalsContact O-CG 3.27Å; L311-L315 WeakPolarHBondContact O-CG 3.31Å; L311-L315 PolarHBondContact O-N 3.35Å
312	V	55.9	Low	52.3	Low	9 Å²	9	79.5 Å²	79.5	6%	0.055	40%	0.396	C	S	.	.	H	α-helix	trans	-61.3	-44.6	178.6	161.8	0	0	0	0	110.9	Y261 M308 E309 L315 K316	Y261-V312 WeakPolarHBondContact OH-CG1 3.3Å; Y261-V312 WeakPolarHBondContact OH-CG2 3.48Å; M308-V312 VanDerWaalsContact O-CB 3.27Å; M308-V312 WeakPolarHBondContact O-CB 3.35Å; M308-V312 WeakPolarHBondContact O-CG2 3.43Å; M308-V312 PolarHBondContact O-N 3.31Å; E309-V312 PolarHBondContact O-N 3.14Å; V312-L315 PolarHBondContact O-N 3.43Å; V312-K316 HydrophobicContact CG1-CD 3.97Å; V312-K316 HydrophobicContact CG1-CG 4.49Å; V312-K316 WeakPolarHBondContact O-CB 3.41Å; V312-K316 VanDerWaalsContact O-CG 3.25Å; V312-K316 WeakPolarHBondContact O-CG 3.22Å; V312-K316 PolarHBondContact O-N 3.06Å
313	D	59	Low	52.8	Low	84 Å²	84	80.3 Å²	80.3	45%	0.449	40%	0.401	S	S	.	.	H	α-helix	trans	-69.9	-34.2	179.9	-70.4	-18	0	0	0	111.6	E309 L311 R317	E309-D313 WeakPolarHBondContact O-CB 3.38Å; E309-D313 PolarHBondContact O-N 3.27Å; L311-D313 VanDerWaalsContact C-N 3.35Å; D313-R317 WeakPolarHBondContact O-CB 3.41Å; D313-R317 VanDerWaalsContact O-CG 3.31Å; D313-R317 WeakPolarHBondContact O-CG 3.4Å; D313-R317 PolarHBondContact O-N 3.18Å; D313-R317 VanDerWaalsContact O-N 3.11Å
314	A	53.7	Low	53.1	Low	25 Å²	25	74.9 Å²	74.9	21%	0.207	37%	0.37	C	S	.	.	H	α-helix	trans	-66.8	-46.2	171.2	0	0	0	0	0	111.3	I300 A310 L311 K316 R317 E318	I300-A314 HydrophobicContact CD1-CB 3.34Å; I300-A314 HydrophobicContact CG1-CB 4.14Å; A310-A314 WeakPolarHBondContact O-CB 3.34Å; A310-A314 PolarHBondContact O-N 3.16Å; L311-A314 PolarHBondContact O-N 2.98Å; A314-K316 VanDerWaalsContact C-N 3.27Å; A314-K316 PolarHBondContact O-N 3.24Å; A314-R317 WeakPolarHBondContact O-CB 3.35Å; A314-R317 PolarHBondContact O-N 3.12Å; A314-R317 VanDerWaalsContact O-N 3.09Å; A314-E318 PolarHBondContact O-N 3.32Å
315	L	50.1	Low	53.4	Low	26 Å²	26	72.5 Å²	72.5	14%	0.136	36%	0.36	C	S	.	.	H	α-helix	trans	-64.1	-29.8	176.2	-72.2	177.2	0	0	0	113	F254 Y261 W264 L311 V312	F254-L315 HydrophobicContact CE1-CD1 3.94Å; F254-L315 HydrophobicContact CE1-CD2 3.69Å; F254-L315 HydrophobicContact CE1-CG 4.44Å; F254-L315 HydrophobicContact CZ-CD1 4.4Å; F254-L315 HydrophobicContact CZ-CD2 4.34Å; Y261-L315 HydrophobicContact CE2-CB 4.05Å; Y261-L315 HydrophobicContact CE2-CD1 4.13Å; W264-L315 HydrophobicContact CZ3-CD1 4.29Å; L311-L315 HydrophobicContact CD1-CD1 4.14Å; L311-L315 HydrophobicContact CD1-CG 4.23Å; L311-L315 HydrophobicContact CG-CD1 4.15Å; L311-L315 WeakPolarHBondContact O-CB 3.28Å; L311-L315 VanDerWaalsContact O-CG 3.27Å; L311-L315 WeakPolarHBondContact O-CG 3.31Å; L311-L315 PolarHBondContact O-N 3.35Å; V312-L315 PolarHBondContact O-N 3.43Å
316	K	59.4	Low	53.9	Low	135 Å²	135	68.7 Å²	68.7	59%	0.587	33%	0.327	S	S	*	.	H	α-helix	trans	-76.6	-23	173.7	-78.2	173.4	179.5	172	0	113.5	V312 A314	V312-K316 HydrophobicContact CG1-CD 3.97Å; V312-K316 HydrophobicContact CG1-CG 4.49Å; V312-K316 WeakPolarHBondContact O-CB 3.41Å; V312-K316 VanDerWaalsContact O-CG 3.25Å; V312-K316 WeakPolarHBondContact O-CG 3.22Å; V312-K316 PolarHBondContact O-N 3.06Å; A314-K316 VanDerWaalsContact C-N 3.27Å; A314-K316 PolarHBondContact O-N 3.24Å
317	R	59.2	Low	53.8	Low	230 Å²	230	70.8 Å²	70.8	87%	0.868	34%	0.335	S	S	*	.	H	α-helix	trans	-81.7	-26.6	-179.1	-89.6	176.8	158.1	-127	-3	112.5	D313 A314	D313-R317 WeakPolarHBondContact O-CB 3.41Å; D313-R317 VanDerWaalsContact O-CG 3.31Å; D313-R317 WeakPolarHBondContact O-CG 3.4Å; D313-R317 PolarHBondContact O-N 3.18Å; D313-R317 VanDerWaalsContact O-N 3.11Å; A314-R317 WeakPolarHBondContact O-CB 3.35Å; A314-R317 PolarHBondContact O-N 3.12Å; A314-R317 VanDerWaalsContact O-N 3.09Å
318	E	43.6	Very low	54.2	Low	168 Å²	168	76.4 Å²	76.4	79%	0.785	36%	0.36	S	S	*	.			trans	-89.4	0	177.2	-155.3	153	-175.6	0	0	110.5	I296 A314	I296-E318 WeakPolarHBondContact CD1-OE1 3.49Å; I296-E318 WeakPolarHBondContact CD1-OE2 3.26Å; I296-E318 WeakPolarHBondContact CG2-OE2 3.48Å; A314-E318 PolarHBondContact O-N 3.32Å

Retrieved 318 of 318 residues in 220.6 ms (Link to these results)

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