A0A077QPI2_HUMAN Loading...

Kell blood group, metallo-endopeptidase

AlphaFold DB , UniProt , Accession A0A077QPI2, Species HUMAN (Homo sapiens, Human), Gene KEL, Length 732 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	34.9	Very low	35.2	Very low	226 Å²	226	139.1 Å²	139.1	100%	1.113	78%	0.78	S	S	*	*				0	76.2	0	-74	171.8	179.3	0	0	105.4
2	E	33.2	Very low	34.7	Very low	194 Å²	194	144.4 Å²	144.4	91%	0.907	78%	0.779	S	S	*	*				81.2	122.6	88.7	-79.7	174.9	146.5	0	0	108.8
3	G	33.4	Very low	34.4	Very low	84 Å²	84	143.8 Å²	143.8	87%	0.866	77%	0.768	S	S	*	*			cis	129.7	148.7	16.4	0	0	0	0	0	109.4
4	G	31.2	Very low	34.1	Very low	73 Å²	73	148.8 Å²	148.8	75%	0.753	77%	0.771	S	S	*	*			trans	123.8	81.6	172	0	0	0	0	0	112.4
5	D	39.3	Very low	33.8	Very low	141 Å²	141	145.6 Å²	145.6	75%	0.754	77%	0.767	S	S	*	*				73.7	128.8	50.1	-140.9	24.4	0	0	0	110
6	Q	33.8	Very low	33.8	Very low	154 Å²	154	148.8 Å²	148.8	72%	0.72	78%	0.776	S	S	*	*			cis	-169.2	134.6	49.1	-90.6	-174.3	-10	0	0	109.9
7	S	32.2	Very low	33.6	Very low	90 Å²	90	145.9 Å²	145.9	63%	0.629	78%	0.779	S	S	*	*				92.3	117.9	79.8	82.8	0	0	0	0	113.2
8	E	33.6	Very low	33.3	Very low	171 Å²	171	142.6 Å²	142.6	80%	0.799	79%	0.785	S	S	*	*				64.5	146.9	84.9	-94.8	-178.8	172.3	0	0	114.1
9	E	32.7	Very low	33.1	Very low	149 Å²	149	139.4 Å²	139.4	70%	0.696	79%	0.788	S	S	*	*			cis	-175.6	149.5	-7.6	-145.5	-177.8	-177.2	0	0	107.6
10	E	34	Very low	32.9	Very low	146 Å²	146	142.5 Å²	142.5	68%	0.682	80%	0.798	S	S	*	*			trans	50.9	176.2	144.9	-97.7	-154.9	165	0	0	123.6
11	P	48.7	Very low	32.8	Very low	102 Å²	102	139.5 Å²	139.5	66%	0.662	80%	0.799	S	S	*	*			cis	-141.4	169.5	0.6	27.8	-2.5	0	0	0	119.1
12	R	29.9	Very low	32.6	Very low	203 Å²	203	135 Å²	135	77%	0.766	78%	0.784	S	S	*	*			trans	64.1	145	133.8	-78.6	-178.2	-168.7	-172.1	5.5	128.2
13	E	30.7	Very low	32.5	Very low	137 Å²	137	132.3 Å²	132.3	64%	0.64	78%	0.776	S	S	*	*			trans	78.5	140.2	149.1	-79.4	-176.6	-148.4	0	0	117.4
14	R	30	Very low	32.5	Very low	213 Å²	213	139.9 Å²	139.9	80%	0.804	78%	0.778	S	S	*	*			cis	-164.5	165.3	22.7	-135.3	175	-145.2	-161.9	-1.9	110.7
15	S	29.9	Very low	32.5	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	77%	0.772	S	S	*	*			trans	-63.5	154.7	174	52.6	0	0	0	0	115.3
16	Q	33	Very low	32.2	Very low	197 Å²	197	143.2 Å²	143.2	92%	0.921	78%	0.779	S	S	*	*				-174.9	148.1	119.5	-103.5	179.6	3.8	0	0	113.4
17	A	31.4	Very low	32.4	Very low	100 Å²	100	145.1 Å²	145.1	83%	0.826	79%	0.788	S	S	*	*			trans	-94.1	164.1	-177.3	0	0	0	0	0	112.5
18	G	28	Very low	32.4	Very low	86 Å²	86	146.6 Å²	146.6	89%	0.887	80%	0.799	S	S	*	*			trans	111.3	132.5	145.7	0	0	0	0	0	116.3
19	G	29.1	Very low	32.5	Very low	82 Å²	82	144.7 Å²	144.7	85%	0.845	80%	0.799	S	S	*	*			trans	148.2	84.8	157.3	0	0	0	0	0	116.5
20	M	30.2	Very low	32.9	Very low	201 Å²	201	143.8 Å²	143.8	99%	0.99	81%	0.806	S	S	*	*			trans	-54.6	150.2	155.1	-83.6	140.3	103.6	0	0	111.6
21	G	30	Very low	33	Very low	79 Å²	79	145.1 Å²	145.1	81%	0.814	81%	0.812	S	S	*	*			trans	170.2	96.9	167.1	0	0	0	0	0	115.7
22	T	31.4	Very low	32.6	Very low	131 Å²	131	149.6 Å²	149.6	80%	0.804	82%	0.824	S	S	*	*			trans	-67.3	169.3	178.7	32.7	0	0	0	0	118.3
23	L	31.2	Very low	33.1	Very low	138 Å²	138	150.9 Å²	150.9	72%	0.723	83%	0.829	S	S	*	*			trans	76	131.3	162.8	-93.3	79.8	0	0	0	114.7
24	W	32	Very low	33.4	Very low	244 Å²	244	152 Å²	152	92%	0.924	84%	0.839	S	S	*	*				-145.2	146.9	63.3	-87.9	67.7	0	0	0	114.2
25	S	32.4	Very low	34	Very low	88 Å²	88	147.8 Å²	147.8	62%	0.615	84%	0.839	S	S	*	*			trans	-80	148.7	171.7	45.4	0	0	0	0	113.6
26	Q	33.1	Very low	34.5	Very low	195 Å²	195	149.8 Å²	149.8	91%	0.911	85%	0.847	S	S	*	*				-161.6	128.6	130	-121.7	171.3	-5.2	0	0	113.2
27	E	36.3	Very low	35.3	Very low	194 Å²	194	149.8 Å²	149.8	91%	0.907	85%	0.846	S	S	*	*			trans	-66.6	150.7	175.2	-76.6	155.9	124.4	0	0	113.2
28	S	33.8	Very low	36.3	Very low	121 Å²	121	148.3 Å²	148.3	85%	0.846	84%	0.841	S	S	*	*			trans	-140.9	141	150.6	54.3	0	0	0	0	110.1
29	T	34.5	Very low	37.4	Very low	132 Å²	132	148.1 Å²	148.1	81%	0.81	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-73.7	159.8	-163.2	41.9	0	0	0	0	115.3
30	P	41.3	Very low	38.7	Very low	129 Å²	129	154.9 Å²	154.9	84%	0.838	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-86.9	124	175.3	33.4	-28	0	0	0	111.1
31	E	37.1	Very low	40	Very low	175 Å²	175	150.1 Å²	150.1	82%	0.818	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-92	118.5	172.7	-126.8	178.4	-175.5	0	0	110.1	R33	E31-R33 PolarHBondContact O-N 2.84Å
32	E	39.9	Very low	41.3	Very low	195 Å²	195	156.1 Å²	156.1	91%	0.911	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-57.8	128.1	168.8	-74.9	176.5	133	0	0	110.8
33	R	38.7	Very low	42.8	Very low	230 Å²	230	152.3 Å²	152.3	87%	0.868	79%	0.79	S	S	*	*			trans	-121.8	118.8	164.4	-107.6	-174.5	-88.7	-152.6	-6.6	110.6	E31	E31-R33 PolarHBondContact O-N 2.84Å
34	L	37.3	Very low	44.7	Very low	162 Å²	162	150 Å²	150	85%	0.848	78%	0.781	S	S	*	*			trans	-55.8	153.1	176.1	-72.2	153.9	0	0	0	113
35	P	42.2	Very low	46.7	Very low	124 Å²	124	140.6 Å²	140.6	81%	0.805	76%	0.756	S	S	*	*			trans	-79.9	128.3	-174.8	31.5	-31.4	0	0	0	111.8	E37	P35-E37 PolarHBondContact O-N 3.15Å
36	V	41.8	Very low	48.8	Very low	143 Å²	143	145 Å²	145	87%	0.867	76%	0.759	S	S	*	*			trans	-84.1	113.2	169.2	176.2	0	0	0	0	109	G38	V36-G38 PolarHBondContact O-N 3.17Å
37	E	49.3	Very low	51	Low	196 Å²	196	144.9 Å²	144.9	92%	0.916	75%	0.751	S	S	*	*			trans	-77.9	102.1	176.2	-153.2	164.3	-159.1	0	0	109.2	P35	P35-E37 PolarHBondContact O-N 3.15Å
38	G	52.3	Low	53.2	Low	69 Å²	69	139.3 Å²	139.3	71%	0.711	73%	0.73	S	S	*	*			trans	167.6	62.3	178.7	0	0	0	0	0	116.7	V36	V36-G38 PolarHBondContact O-N 3.17Å
39	S	52.4	Low	55.5	Low	83 Å²	83	138.8 Å²	138.8	58%	0.58	72%	0.717	S	S	*	*			trans	-171.2	34.5	160.6	50.8	0	0	0	0	114.4	W42 A43	S39-W42 PolarHBondContact O-N 2.99Å; S39-A43 PolarHBondContact O-N 2.55Å
40	R	56	Low	57.7	Low	223 Å²	223	135.8 Å²	135.8	84%	0.842	70%	0.698	S	S	*	*	H	α-helix	trans	-60.1	-33.2	179.1	-115.2	173.3	164.2	173.2	-5.6	115.5	V44	R40-V44 VanDerWaalsContact O-CG2 3.32Å; R40-V44 WeakPolarHBondContact O-CG2 3.49Å
41	P	57.4	Low	59.8	Low	102 Å²	102	132.2 Å²	132.2	66%	0.662	68%	0.68	S	S	*	*	H	α-helix	trans	-74.5	-35.7	-180	-9.7	23.1	0	0	0	113.3	V44 A45	P41-V44 PolarHBondContact O-N 2.98Å; P41-A45 VanDerWaalsContact O-CB 3.32Å; P41-A45 WeakPolarHBondContact O-CB 3.33Å; P41-A45 PolarHBondContact O-N 3.48Å
42	W	56.9	Low	62.3	Low	205 Å²	205	129.2 Å²	129.2	78%	0.777	67%	0.668	S	S	*	*	H	α-helix	trans	-74.1	-36.3	-175.1	-113.3	76.1	0	0	0	112.7	S39 R46	S39-W42 PolarHBondContact O-N 2.99Å; W42-R46 VanDerWaalsContact O-CB 3.26Å; W42-R46 WeakPolarHBondContact O-CB 3.42Å; W42-R46 PolarHBondContact O-N 3.15Å
43	A	62.9	Low	64.6	Low	50 Å²	50	125 Å²	125	41%	0.413	65%	0.652	S	S	.	*	H	α-helix	trans	-67.5	-37.5	174.4	0	0	0	0	0	112.2	S39 R47	S39-A43 PolarHBondContact O-N 2.55Å; A43-R47 VanDerWaalsContact O-CG 3.29Å; A43-R47 WeakPolarHBondContact O-CG 3.2Å; A43-R47 PolarHBondContact O-N 3.14Å
44	V	71.1	Confident	67.1	Low	89 Å²	89	118.9 Å²	118.9	54%	0.539	64%	0.635	S	S	.	*	H	α-helix	trans	-70.2	-45.9	175.5	175.7	0	0	0	0	110.6	R40 P41 R46 R47 V48	R40-V44 VanDerWaalsContact O-CG2 3.32Å; R40-V44 WeakPolarHBondContact O-CG2 3.49Å; P41-V44 PolarHBondContact O-N 2.98Å; V44-R46 VanDerWaalsContact C-N 3.32Å; V44-R46 PolarHBondContact O-N 3.45Å; V44-R47 PolarHBondContact O-N 2.95Å; V44-V48 HydrophobicContact CG1-CG2 4.38Å; V44-V48 VanDerWaalsContact O-CG2 3.32Å; V44-V48 WeakPolarHBondContact O-CG2 3.4Å; V44-V48 PolarHBondContact O-N 3.48Å
45	A	73.8	Confident	69.6	Low	48 Å²	48	116.5 Å²	116.5	40%	0.397	62%	0.622	S	S	.	*	H	α-helix	trans	-58.9	-42.5	175.8	0	0	0	0	0	112	P41 V48 L49	P41-A45 VanDerWaalsContact O-CB 3.32Å; P41-A45 WeakPolarHBondContact O-CB 3.33Å; P41-A45 PolarHBondContact O-N 3.48Å; A45-V48 PolarHBondContact O-N 3.46Å; A45-L49 WeakPolarHBondContact O-CB 3.47Å; A45-L49 PolarHBondContact O-N 2.87Å
46	R	76.9	Confident	72	Confident	181 Å²	181	112.5 Å²	112.5	68%	0.683	60%	0.604	S	S	*	*	H	α-helix	trans	-64.9	-40.5	176.5	-167.8	172.6	174.9	-179.9	-1.8	112.2	W42 V44 L49 T50	W42-R46 VanDerWaalsContact O-CB 3.26Å; W42-R46 WeakPolarHBondContact O-CB 3.42Å; W42-R46 PolarHBondContact O-N 3.15Å; V44-R46 VanDerWaalsContact C-N 3.32Å; V44-R46 PolarHBondContact O-N 3.45Å; R46-L49 PolarHBondContact O-N 3.2Å; R46-T50 WeakPolarHBondContact O-CG2 3.37Å; R46-T50 PolarHBondContact O-N 2.82Å; R46-T50 PolarHBondContact O-OG1 3.47Å
47	R	79.1	Confident	74.3	Confident	192 Å²	192	111.4 Å²	111.4	73%	0.725	59%	0.592	S	S	*	*	H	α-helix	trans	-64.2	-41.9	174.6	-75.6	179.6	-168.7	-164.8	3.8	112.2	A43 V44 T50 A51	A43-R47 VanDerWaalsContact O-CG 3.29Å; A43-R47 WeakPolarHBondContact O-CG 3.2Å; A43-R47 PolarHBondContact O-N 3.14Å; V44-R47 PolarHBondContact O-N 2.95Å; R47-T50 VanDerWaalsContact CA-OG1 3.28Å; R47-T50 WeakPolarHBondContact CA-OG1 3.25Å; R47-T50 PolarHBondContact O-N 3.06Å; R47-T50 PolarHBondContact O-OG1 3.5Å; R47-A51 WeakPolarHBondContact O-CB 3.49Å; R47-A51 PolarHBondContact O-N 2.7Å
48	V	82.5	Confident	76.4	Confident	77 Å²	77	107.1 Å²	107.1	47%	0.467	58%	0.575	S	S	.	*	H	α-helix	trans	-66	-44.7	176.6	172.7	0	0	0	0	110.8	V44 A45 T50 A51 I52	V44-V48 HydrophobicContact CG1-CG2 4.38Å; V44-V48 VanDerWaalsContact O-CG2 3.32Å; V44-V48 WeakPolarHBondContact O-CG2 3.4Å; V44-V48 PolarHBondContact O-N 3.48Å; A45-V48 PolarHBondContact O-N 3.46Å; V48-T50 PolarHBondContact O-N 3.28Å; V48-A51 PolarHBondContact O-N 3.45Å; V48-I52 HydrophobicContact CG1-CD1 3.77Å; V48-I52 HydrophobicContact CG1-CG1 4.44Å; V48-I52 VanDerWaalsContact O-CG1 3.28Å; V48-I52 WeakPolarHBondContact O-CG1 3.3Å; V48-I52 PolarHBondContact O-N 3.23Å
49	L	81.9	Confident	78.2	Confident	110 Å²	110	108.7 Å²	108.7	58%	0.576	57%	0.567	S	S	*	*	H	α-helix	trans	-61.8	-43	175.3	-107	139	0	0	0	112.5	A45 R46 A51 I52 L53	A45-L49 WeakPolarHBondContact O-CB 3.47Å; A45-L49 PolarHBondContact O-N 2.87Å; R46-L49 PolarHBondContact O-N 3.2Å; L49-A51 VanDerWaalsContact C-N 3.34Å; L49-I52 PolarHBondContact O-N 3.3Å; L49-L53 WeakPolarHBondContact O-CB 3.29Å; L49-L53 PolarHBondContact O-N 2.91Å
50	T	82	Confident	80	Confident	68 Å²	68	108.4 Å²	108.4	42%	0.417	56%	0.564	S	S	.	*	H	α-helix	trans	-64.7	-38.6	174.4	46.1	0	0	0	0	112.1	R46 R47 V48 L53 I54	R46-T50 WeakPolarHBondContact O-CG2 3.37Å; R46-T50 PolarHBondContact O-N 2.82Å; R46-T50 PolarHBondContact O-OG1 3.47Å; R47-T50 VanDerWaalsContact CA-OG1 3.28Å; R47-T50 WeakPolarHBondContact CA-OG1 3.25Å; R47-T50 PolarHBondContact O-N 3.06Å; R47-T50 PolarHBondContact O-OG1 3.5Å; V48-T50 PolarHBondContact O-N 3.28Å; T50-L53 PolarHBondContact O-N 2.86Å; T50-I54 WeakPolarHBondContact O-CB 3.5Å; T50-I54 WeakPolarHBondContact O-CD1 3.3Å; T50-I54 VanDerWaalsContact O-CG1 3.22Å; T50-I54 WeakPolarHBondContact O-CG1 3.06Å; T50-I54 PolarHBondContact O-N 3.25Å
51	A	85.3	Confident	81.6	Confident	55 Å²	55	104.1 Å²	104.1	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-65.7	-41.8	176.7	0	0	0	0	0	111.6	R47 V48 L49 I54 L55	R47-A51 WeakPolarHBondContact O-CB 3.49Å; R47-A51 PolarHBondContact O-N 2.7Å; V48-A51 PolarHBondContact O-N 3.45Å; L49-A51 VanDerWaalsContact C-N 3.34Å; A51-I54 PolarHBondContact O-N 3.03Å; A51-L55 WeakPolarHBondContact O-CB 3.43Å; A51-L55 PolarHBondContact O-N 2.67Å
52	I	89.2	Confident	82.9	Confident	112 Å²	112	102.1 Å²	102.1	57%	0.574	54%	0.54	S	S	*	.	H	α-helix	trans	-64.1	-42.3	175.8	-68.1	166.6	0	0	0	111	V48 L49 L55 G56	V48-I52 HydrophobicContact CG1-CD1 3.77Å; V48-I52 HydrophobicContact CG1-CG1 4.44Å; V48-I52 VanDerWaalsContact O-CG1 3.28Å; V48-I52 WeakPolarHBondContact O-CG1 3.3Å; V48-I52 PolarHBondContact O-N 3.23Å; L49-I52 PolarHBondContact O-N 3.3Å; I52-L55 PolarHBondContact O-N 3.33Å; I52-G56 PolarHBondContact O-N 2.75Å
53	L	88.8	Confident	84.3	Confident	107 Å²	107	96.4 Å²	96.4	56%	0.56	53%	0.527	S	S	*	.	H	α-helix	trans	-62.8	-44.5	175.6	-92.8	157.2	0	0	0	112.3	L49 T50 G56 L57	L49-L53 WeakPolarHBondContact O-CB 3.29Å; L49-L53 PolarHBondContact O-N 2.91Å; T50-L53 PolarHBondContact O-N 2.86Å; L53-G56 PolarHBondContact O-N 3.31Å; L53-L57 WeakPolarHBondContact O-CB 3.43Å; L53-L57 WeakPolarHBondContact O-CG 3.38Å; L53-L57 PolarHBondContact O-N 3.1Å
54	I	89.6	Confident	85.3	Confident	101 Å²	101	98.4 Å²	98.4	52%	0.518	53%	0.53	S	S	.	.	H	α-helix	trans	-64.3	-44.6	176.7	-68.9	165.8	0	0	0	110.3	T50 A51 G56 L57 L58	T50-I54 WeakPolarHBondContact O-CB 3.5Å; T50-I54 WeakPolarHBondContact O-CD1 3.3Å; T50-I54 VanDerWaalsContact O-CG1 3.22Å; T50-I54 WeakPolarHBondContact O-CG1 3.06Å; T50-I54 PolarHBondContact O-N 3.25Å; A51-I54 PolarHBondContact O-N 3.03Å; I54-G56 VanDerWaalsContact C-N 3.34Å; I54-G56 PolarHBondContact O-N 3.49Å; I54-L57 PolarHBondContact O-N 3.02Å; I54-L58 HydrophobicContact CG2-CD1 3.97Å; I54-L58 HydrophobicContact CG2-CG 4.44Å; I54-L58 WeakPolarHBondContact O-CB 3.33Å; I54-L58 WeakPolarHBondContact O-CG 3.48Å; I54-L58 PolarHBondContact O-N 3.35Å
55	L	90.6	Very high	85.7	Confident	112 Å²	112	97.4 Å²	97.4	59%	0.586	52%	0.522	S	S	*	.	H	α-helix	trans	-62.9	-42.4	178.2	-155	82.8	0	0	0	111	A51 I52 L58 L59	A51-L55 WeakPolarHBondContact O-CB 3.43Å; A51-L55 PolarHBondContact O-N 2.67Å; I52-L55 PolarHBondContact O-N 3.33Å; L55-L58 PolarHBondContact O-N 3.2Å; L55-L59 WeakPolarHBondContact O-CB 3.2Å; L55-L59 PolarHBondContact O-N 3.11Å
56	G	91.4	Very high	85.8	Confident	40 Å²	40	101.3 Å²	101.3	41%	0.412	53%	0.53	S	S	.	.	H	α-helix	trans	-63.4	-40.5	175.3	0	0	0	0	0	113	I52 L53 I54 L59 C60	I52-G56 PolarHBondContact O-N 2.75Å; L53-G56 PolarHBondContact O-N 3.31Å; I54-G56 VanDerWaalsContact C-N 3.34Å; I54-G56 PolarHBondContact O-N 3.49Å; G56-L59 PolarHBondContact O-N 3.43Å; G56-C60 VanDerWaalsContact O-CB 3.26Å; G56-C60 WeakPolarHBondContact O-CB 3.2Å; G56-C60 PolarHBondContact O-N 3.47Å
57	L	91.6	Very high	85.8	Confident	119 Å²	119	99.5 Å²	99.5	62%	0.623	52%	0.524	S	S	*	.	H	α-helix	trans	-65.6	-42.4	174.4	-78.5	166.5	0	0	0	112.1	L53 I54 C60 F61	L53-L57 WeakPolarHBondContact O-CB 3.43Å; L53-L57 WeakPolarHBondContact O-CG 3.38Å; L53-L57 PolarHBondContact O-N 3.1Å; I54-L57 PolarHBondContact O-N 3.02Å; L57-C60 PolarHBondContact O-N 3.21Å; L57-F61 VanDerWaalsContact O-CB 3.23Å; L57-F61 WeakPolarHBondContact O-CB 3.43Å; L57-F61 PolarHBondContact O-N 3.36Å
58	L	91.9	Very high	85.3	Confident	106 Å²	106	94.1 Å²	94.1	56%	0.555	51%	0.51	S	S	*	.	H	α-helix	trans	-63.9	-41.6	175.6	-73.2	170	0	0	0	111.5	I54 L55 F61 S62	I54-L58 HydrophobicContact CG2-CD1 3.97Å; I54-L58 HydrophobicContact CG2-CG 4.44Å; I54-L58 WeakPolarHBondContact O-CB 3.33Å; I54-L58 WeakPolarHBondContact O-CG 3.48Å; I54-L58 PolarHBondContact O-N 3.35Å; L55-L58 PolarHBondContact O-N 3.2Å; L58-F61 PolarHBondContact O-N 2.73Å; L58-S62 WeakPolarHBondContact O-CB 3.32Å; L58-S62 PolarHBondContact O-N 2.88Å; L58-S62 PolarHBondContact O-OG 3.24Å
59	L	91.6	Very high	84.4	Confident	103 Å²	103	97.7 Å²	97.7	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-64.9	-47.1	176.4	-126.6	140.6	0	0	0	110.7	L55 G56 F61 S62 V63	L55-L59 WeakPolarHBondContact O-CB 3.2Å; L55-L59 PolarHBondContact O-N 3.11Å; G56-L59 PolarHBondContact O-N 3.43Å; L59-F61 PolarHBondContact O-N 3.49Å; L59-S62 WeakPolarHBondContact CA-OG 3.36Å; L59-S62 PolarHBondContact O-N 2.97Å; L59-S62 PolarHBondContact O-OG 3.24Å; L59-V63 HydrophobicContact CD2-CG2 4.44Å; L59-V63 VanDerWaalsContact O-CG2 3.32Å; L59-V63 WeakPolarHBondContact O-CG2 3.31Å; L59-V63 PolarHBondContact O-N 2.67Å
60	C	89.9	Confident	83.4	Confident	76 Å²	76	98.9 Å²	98.9	51%	0.514	52%	0.522	S	S	.	.	H	α-helix	trans	-62.1	-42.4	177.4	-156.8	0	0	0	0	111.7	G56 L57 V63 L64	G56-C60 VanDerWaalsContact O-CB 3.26Å; G56-C60 WeakPolarHBondContact O-CB 3.2Å; G56-C60 PolarHBondContact O-N 3.47Å; L57-C60 PolarHBondContact O-N 3.21Å; C60-V63 PolarHBondContact O-N 3.2Å; C60-L64 VanDerWaalsContact O-CB 3.31Å; C60-L64 WeakPolarHBondContact O-CB 3.47Å; C60-L64 PolarHBondContact O-N 2.84Å
61	F	89.4	Confident	82.4	Confident	134 Å²	134	100.4 Å²	100.4	59%	0.588	53%	0.527	S	S	*	.	H	α-helix	trans	-63.5	-40.9	174.2	-177.1	-107.9	0	0	0	112.1	L57 L58 L59 L64 L65	L57-F61 VanDerWaalsContact O-CB 3.23Å; L57-F61 WeakPolarHBondContact O-CB 3.43Å; L57-F61 PolarHBondContact O-N 3.36Å; L58-F61 PolarHBondContact O-N 2.73Å; L59-F61 PolarHBondContact O-N 3.49Å; F61-L64 PolarHBondContact O-N 3.19Å; F61-L65 HydrophobicContact CD1-CD1 3.62Å; F61-L65 HydrophobicContact CE1-CD1 3.17Å; F61-L65 HydrophobicContact CE1-CG 4.27Å; F61-L65 HydrophobicContact CE2-CD1 4.32Å; F61-L65 HydrophobicContact CG-CD1 4.37Å; F61-L65 HydrophobicContact CZ-CD1 3.57Å; F61-L65 HydrophobicContact CZ-CG 4.27Å; F61-L65 VanDerWaalsContact O-CB 3.31Å; F61-L65 WeakPolarHBondContact O-CB 3.36Å; F61-L65 PolarHBondContact O-N 2.96Å
62	S	84.6	Confident	81.2	Confident	59 Å²	59	102.5 Å²	102.5	41%	0.413	54%	0.538	S	S	.	.	H	α-helix	trans	-66.6	-38.7	176.6	73	0	0	0	0	112.7	L58 L59 L65 F66	L58-S62 WeakPolarHBondContact O-CB 3.32Å; L58-S62 PolarHBondContact O-N 2.88Å; L58-S62 PolarHBondContact O-OG 3.24Å; L59-S62 WeakPolarHBondContact CA-OG 3.36Å; L59-S62 PolarHBondContact O-N 2.97Å; L59-S62 PolarHBondContact O-OG 3.24Å; S62-L65 PolarHBondContact O-N 3.11Å; S62-F66 WeakPolarHBondContact O-CB 3.45Å; S62-F66 PolarHBondContact O-N 3.43Å
63	V	86.6	Confident	80.3	Confident	86 Å²	86	99.4 Å²	99.4	52%	0.521	53%	0.533	S	S	.	.	H	α-helix	trans	-69.6	-41.4	175	172.6	0	0	0	0	110.7	L59 C60 F66 Y67	L59-V63 HydrophobicContact CD2-CG2 4.44Å; L59-V63 VanDerWaalsContact O-CG2 3.32Å; L59-V63 WeakPolarHBondContact O-CG2 3.31Å; L59-V63 PolarHBondContact O-N 2.67Å; C60-V63 PolarHBondContact O-N 3.2Å; V63-F66 PolarHBondContact O-N 2.99Å; V63-Y67 VanDerWaalsContact O-CB 3.22Å; V63-Y67 WeakPolarHBondContact O-CB 3.42Å; V63-Y67 PolarHBondContact O-N 2.68Å
64	L	83	Confident	79.9	Confident	91 Å²	91	97 Å²	97	48%	0.476	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-42.6	172.6	-96.2	151.9	0	0	0	111.6	C60 F61 N68	C60-L64 VanDerWaalsContact O-CB 3.31Å; C60-L64 WeakPolarHBondContact O-CB 3.47Å; C60-L64 PolarHBondContact O-N 2.84Å; F61-L64 PolarHBondContact O-N 3.19Å; L64-N68 VanDerWaalsContact O-CB 3.25Å; L64-N68 WeakPolarHBondContact O-CB 3.18Å; L64-N68 PolarHBondContact O-N 2.96Å; L64-N68 PolarHBondContact O-ND2 2.65Å
65	L	79.8	Confident	79.9	Confident	69 Å²	69	101.6 Å²	101.6	36%	0.361	54%	0.535	S	S	.	.	H	α-helix	trans	-61	-48.9	173.5	-99.1	161	0	0	0	110.6	F61 S62 Y67 N68 F69	F61-L65 HydrophobicContact CD1-CD1 3.62Å; F61-L65 HydrophobicContact CE1-CD1 3.17Å; F61-L65 HydrophobicContact CE1-CG 4.27Å; F61-L65 HydrophobicContact CE2-CD1 4.32Å; F61-L65 HydrophobicContact CG-CD1 4.37Å; F61-L65 HydrophobicContact CZ-CD1 3.57Å; F61-L65 HydrophobicContact CZ-CG 4.27Å; F61-L65 VanDerWaalsContact O-CB 3.31Å; F61-L65 WeakPolarHBondContact O-CB 3.36Å; F61-L65 PolarHBondContact O-N 2.96Å; S62-L65 PolarHBondContact O-N 3.11Å; L65-Y67 PolarHBondContact O-N 3.27Å; L65-N68 PolarHBondContact O-N 2.95Å; L65-F69 HydrophobicContact CD2-CD2 3.8Å; L65-F69 HydrophobicContact CD2-CE2 3.48Å; L65-F69 VanDerWaalsContact CD2-CE2 3.48Å; L65-F69 VanDerWaalsContact O-CB 3.31Å; L65-F69 WeakPolarHBondContact O-CB 3.41Å; L65-F69 VanDerWaalsContact O-CD2 3.24Å; L65-F69 WeakPolarHBondContact O-CD2 3.13Å; L65-F69 PolarHBondContact O-N 3.31Å
66	F	77	Confident	79.9	Confident	129 Å²	129	99.5 Å²	99.5	57%	0.566	53%	0.528	S	S	*	.	H	α-helix	trans	-62.4	-43.6	179.2	-174.5	-97.6	0	0	0	112.2	S62 V63 F69 Q70	S62-F66 WeakPolarHBondContact O-CB 3.45Å; S62-F66 PolarHBondContact O-N 3.43Å; V63-F66 PolarHBondContact O-N 2.99Å; F66-F69 PolarHBondContact O-N 2.88Å; F66-Q70 HydrophobicContact CE1-CG 4.1Å; F66-Q70 HydrophobicContact CZ-CG 4.2Å; F66-Q70 WeakPolarHBondContact O-CB 3.49Å; F66-Q70 PolarHBondContact O-N 3.02Å
67	Y	75.5	Confident	80.1	Confident	143 Å²	143	98 Å²	98	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-64.6	-41.7	175.5	-178.8	-95.9	0	0	0	112.1	V63 L65 N71	V63-Y67 VanDerWaalsContact O-CB 3.22Å; V63-Y67 WeakPolarHBondContact O-CB 3.42Å; V63-Y67 PolarHBondContact O-N 2.68Å; L65-Y67 PolarHBondContact O-N 3.27Å; Y67-N71 WeakPolarHBondContact CE1-ND2 3.45Å; Y67-N71 VanDerWaalsContact CE2-ND2 3.28Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.37Å; Y67-N71 WeakPolarHBondContact O-CB 3.39Å; Y67-N71 PolarHBondContact O-N 3.45Å; Y67-N71 VanDerWaalsContact O-N 3.08Å; Y67-N71 PolarHBondContact O-ND2 3.44Å
68	N	69.2	Low	80.2	Confident	80 Å²	80	99.3 Å²	99.3	43%	0.428	51%	0.514	S	S	.	.	H	α-helix	trans	-66.8	-42.6	173.5	-79.8	-66.5	0	0	0	110.9	L64 L65 Q70 N71 C72	L64-N68 VanDerWaalsContact O-CB 3.25Å; L64-N68 WeakPolarHBondContact O-CB 3.18Å; L64-N68 PolarHBondContact O-N 2.96Å; L64-N68 PolarHBondContact O-ND2 2.65Å; L65-N68 PolarHBondContact O-N 2.95Å; N68-Q70 PolarHBondContact O-N 3.33Å; N68-N71 CarbonylContact O-C 3.49Å; N68-N71 PolarHBondContact O-N 3.33Å; N68-C72 WeakPolarHBondContact O-CA 3.38Å; N68-C72 WeakPolarHBondContact O-CB 3.38Å; N68-C72 PolarHBondContact O-N 3.14Å; N68-C72 PolarHBondContact O-SG 3.31Å
69	F	64.6	Low	80.3	Confident	152 Å²	152	97.5 Å²	97.5	67%	0.667	51%	0.507	S	S	*	.	H	α-helix	trans	-64.9	-37.6	177.5	-93.1	-73.3	0	0	0	112.9	L65 F66	L65-F69 HydrophobicContact CD2-CD2 3.8Å; L65-F69 HydrophobicContact CD2-CE2 3.48Å; L65-F69 VanDerWaalsContact CD2-CE2 3.48Å; L65-F69 VanDerWaalsContact O-CB 3.31Å; L65-F69 WeakPolarHBondContact O-CB 3.41Å; L65-F69 VanDerWaalsContact O-CD2 3.24Å; L65-F69 WeakPolarHBondContact O-CD2 3.13Å; L65-F69 PolarHBondContact O-N 3.31Å; F66-F69 PolarHBondContact O-N 2.88Å
70	Q	59.7	Low	80.5	Confident	135 Å²	135	96.5 Å²	96.5	63%	0.631	51%	0.509	S	S	*	.	H	α-helix	trans	-68.7	-32.7	173.4	-86.6	-170.5	-27	0	0	112.8	F66 N68	F66-Q70 HydrophobicContact CE1-CG 4.1Å; F66-Q70 HydrophobicContact CZ-CG 4.2Å; F66-Q70 WeakPolarHBondContact O-CB 3.49Å; F66-Q70 PolarHBondContact O-N 3.02Å; N68-Q70 PolarHBondContact O-N 3.33Å
71	N	60.2	Low	80.7	Confident	99 Å²	99	94.2 Å²	94.2	53%	0.529	49%	0.493	S	S	.	.	H	α-helix	trans	-94.8	-9.7	179.8	-70	-57.5	0	0	0	114.1	Y67 N68 G73	Y67-N71 WeakPolarHBondContact CE1-ND2 3.45Å; Y67-N71 VanDerWaalsContact CE2-ND2 3.28Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.37Å; Y67-N71 WeakPolarHBondContact O-CB 3.39Å; Y67-N71 PolarHBondContact O-N 3.45Å; Y67-N71 VanDerWaalsContact O-N 3.08Å; Y67-N71 PolarHBondContact O-ND2 3.44Å; N68-N71 CarbonylContact O-C 3.49Å; N68-N71 PolarHBondContact O-N 3.33Å; N71-G73 PolarHBondContact O-N 2.79Å
72	C	61.2	Low	81	Confident	99 Å²	99	87.9 Å²	87.9	67%	0.669	47%	0.465	S	S	*	.	S	Bend	trans	-98.9	73.4	176.1	-75.6	0	0	0	0	110.2	N68	N68-C72 WeakPolarHBondContact O-CA 3.38Å; N68-C72 WeakPolarHBondContact O-CB 3.38Å; N68-C72 PolarHBondContact O-N 3.14Å; N68-C72 PolarHBondContact O-SG 3.31Å
73	G	70.3	Confident	81.6	Confident	47 Å²	47	87.6 Å²	87.6	49%	0.485	46%	0.459	S	S	.	.	S	Bend	trans	-152.2	157.6	170.1	0	0	0	0	0	110.4	N71 R75	N71-G73 PolarHBondContact O-N 2.79Å; G73-R75 PolarHBondContact O-N 3.21Å
74	P	81.3	Confident	82	Confident	56 Å²	56	88.6 Å²	88.6	36%	0.364	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-61.9	135.8	170.4	28.6	-33.3	0	0	0	109.3	E659 V661 P669	P74-E659 CarbonylContact C-O 3.49Å; P74-E659 WeakPolarHBondContact CA-O 3.46Å; P74-E659 HydrophobicContact CB-CB 4.11Å; P74-E659 VanDerWaalsContact CB-O 3.24Å; P74-E659 WeakPolarHBondContact CB-O 3.47Å; P74-V661 HydrophobicContact CB-CG1 3.73Å; P74-V661 HydrophobicContact CB-CG2 4.27Å; P74-V661 HydrophobicContact CG-CB 4.46Å; P74-V661 HydrophobicContact CG-CG1 3.53Å; P74-V661 HydrophobicContact CG-CG2 4.11Å; P74-P669 HydrophobicContact CB-CG 4.19Å; P74-P669 HydrophobicContact CG-CG 4.05Å
75	R	88.3	Confident	82.5	Confident	199 Å²	199	84.4 Å²	84.4	75%	0.751	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	145	-178.4	-65.8	-177.9	-179.1	176.8	-0.8	110.4	G73 E659 T660 V661	G73-R75 PolarHBondContact O-N 3.21Å; R75-E659 PolarHBondContact N-O 3.34Å; R75-E659 VanDerWaalsContact N-O 3.17Å; R75-T660 CarbonylContact O-C 2.98Å; R75-T660 WeakPolarHBondContact O-CA 3.46Å; R75-T660 WeakPolarHBondContact O-CB 3.45Å; R75-V661 PolarHBondContact O-N 3.22Å
76	P	91.8	Very high	83.3	Confident	67 Å²	67	83.6 Å²	83.6	44%	0.435	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	138.2	173.1	26.9	-33	0	0	0	110.5	E78 P663	P76-E78 HydrophobicContact CB-CG 4.41Å; P76-P663 HydrophobicContact CB-CB 4.11Å
77	C	93.9	Very high	84.1	Confident	9 Å²	9	81 Å²	81	6%	0.061	42%	0.423	C	S	.	.			trans	-86	106.7	170.6	-174.2	0	0	0	0	109.9	T79 C82 P567 V661 P663	C77-T79 PolarHBondContact SG-OG1 3.44Å; C77-C82 HydrophobicContact CB-CB 3.59Å; C77-C82 WeakPolarHBondContact CB-SG 3.43Å; C77-C82 VanDerWaalsContact O-CB 3.28Å; C77-C82 WeakPolarHBondContact O-CB 3.39Å; C77-C82 WeakPolarHBondContact SG-CB 3.41Å; C77-C82 CovalentContact SG-SG 2.03Å; C77-C82 PolarHBondContact SG-SG 3.18Å; C77-P567 HydrophobicContact CB-CG 4.32Å; C77-V661 PolarHBondContact N-O 3.45Å; C77-P663 WeakPolarHBondContact O-CD 3.49Å
78	E	93.7	Very high	84.8	Confident	146 Å²	146	76.4 Å²	76.4	68%	0.682	41%	0.407	S	S	*	.			trans	-100.5	7.1	-175.7	-60.8	-175.4	162	0	0	113.8	P76	P76-E78 HydrophobicContact CB-CG 4.41Å
79	T	95.1	Very high	85.9	Confident	68 Å²	68	72.7 Å²	72.7	42%	0.417	39%	0.387	S	S	.	.	S	Bend	trans	-64	148.8	174.5	69.7	0	0	0	0	110.7	C77 V81 C82 L83	C77-T79 PolarHBondContact SG-OG1 3.44Å; T79-V81 PolarHBondContact O-N 2.99Å; T79-V81 VanDerWaalsContact O-N 3.17Å; T79-C82 WeakPolarHBondContact O-CA 3.28Å; T79-C82 WeakPolarHBondContact O-CB 3.44Å; T79-C82 PolarHBondContact O-N 3.14Å; T79-C82 PolarHBondContact OG1-N 2.87Å; T79-C82 PolarHBondContact OG1-SG 3.46Å; T79-C82 VanDerWaalsContact OG1-SG 3.38Å; T79-L83 WeakPolarHBondContact O-CG 3.49Å; T79-L83 PolarHBondContact O-N 2.93Å
80	S	95.3	Very high	87.3	Confident	83 Å²	83	69.1 Å²	69.1	58%	0.58	37%	0.374	S	S	*	.	H	α-helix	trans	-50.4	-44.3	179.3	53.3	0	0	0	0	112.4	C82 L83 D84	S80-C82 VanDerWaalsContact C-N 3.31Å; S80-C82 PolarHBondContact O-N 3.19Å; S80-L83 PolarHBondContact O-N 3.28Å; S80-L83 VanDerWaalsContact O-N 3.12Å; S80-D84 VanDerWaalsContact O-CG 3.23Å; S80-D84 PolarHBondContact O-N 2.72Å
81	V	94.4	Very high	88.7	Confident	28 Å²	28	65.9 Å²	65.9	17%	0.17	37%	0.371	C	S	.	.	H	α-helix	trans	-63.6	-35.7	179.8	-177.3	0	0	0	0	111.9	T79 L85 P559 H563 Y566	T79-V81 PolarHBondContact O-N 2.99Å; T79-V81 VanDerWaalsContact O-N 3.17Å; V81-L85 WeakPolarHBondContact O-CB 3.45Å; V81-L85 PolarHBondContact O-N 2.93Å; V81-P559 HydrophobicContact CG1-CG 4.07Å; V81-H563 HydrophobicContact CG1-CB 3.93Å; V81-H563 VanDerWaalsContact CG1-CG 3.48Å; V81-H563 WeakPolarHBondContact CG1-ND1 3.33Å; V81-Y566 HydrophobicContact CB-CE1 4.37Å; V81-Y566 HydrophobicContact CG1-CD1 3.96Å; V81-Y566 HydrophobicContact CG1-CE1 3.28Å; V81-Y566 WeakPolarHBondContact O-CE1 3.4Å
82	C	96.3	Very high	90.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-70.5	-37.8	173.5	-75.7	0	0	0	0	112.9	C77 T79 S80 L85 R86 G565 L662	C77-C82 HydrophobicContact CB-CB 3.59Å; C77-C82 WeakPolarHBondContact CB-SG 3.43Å; C77-C82 VanDerWaalsContact O-CB 3.28Å; C77-C82 WeakPolarHBondContact O-CB 3.39Å; C77-C82 WeakPolarHBondContact SG-CB 3.41Å; C77-C82 CovalentContact SG-SG 2.03Å; C77-C82 PolarHBondContact SG-SG 3.18Å; T79-C82 WeakPolarHBondContact O-CA 3.28Å; T79-C82 WeakPolarHBondContact O-CB 3.44Å; T79-C82 PolarHBondContact O-N 3.14Å; T79-C82 PolarHBondContact OG1-N 2.87Å; T79-C82 PolarHBondContact OG1-SG 3.46Å; T79-C82 VanDerWaalsContact OG1-SG 3.38Å; S80-C82 VanDerWaalsContact C-N 3.31Å; S80-C82 PolarHBondContact O-N 3.19Å; C82-L85 PolarHBondContact O-N 3.42Å; C82-R86 WeakPolarHBondContact O-CB 3.25Å; C82-R86 PolarHBondContact O-N 2.92Å; C82-G565 PolarHBondContact SG-O 2.73Å; C82-L662 HydrophobicContact CB-CD2 4.12Å
83	L	96.3	Very high	91.6	Very high	54 Å²	54	56.9 Å²	56.9	28%	0.283	32%	0.317	S	S	.	.	H	α-helix	trans	-66.6	-43.3	175.9	-59.4	178.1	0	0	0	110.7	T79 S80 L85 R86 D87 P663	T79-L83 WeakPolarHBondContact O-CG 3.49Å; T79-L83 PolarHBondContact O-N 2.93Å; S80-L83 PolarHBondContact O-N 3.28Å; S80-L83 VanDerWaalsContact O-N 3.12Å; L83-L85 VanDerWaalsContact C-N 3.33Å; L83-L85 PolarHBondContact O-N 3.1Å; L83-R86 WeakPolarHBondContact O-CB 3.48Å; L83-R86 PolarHBondContact O-N 3.33Å; L83-D87 WeakPolarHBondContact O-CB 3.48Å; L83-D87 PolarHBondContact O-N 3.04Å; L83-P663 HydrophobicContact CD2-CG 3.92Å
84	D	94.8	Very high	92.6	Very high	107 Å²	107	56.3 Å²	56.3	57%	0.572	30%	0.303	S	S	*	.	H	α-helix	trans	-59.4	-43.9	174.6	-67.3	-18.4	0	0	0	111.4	S80 D87 H88	S80-D84 VanDerWaalsContact O-CG 3.23Å; S80-D84 PolarHBondContact O-N 2.72Å; D84-D87 PolarHBondContact O-N 3.3Å; D84-H88 WeakPolarHBondContact O-CB 3.43Å; D84-H88 PolarHBondContact O-N 3.43Å
85	L	94.9	Very high	93	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-66.1	-41.4	176.7	-177.6	65.8	0	0	0	112.1	V81 C82 L83 D87 H88 Y89 P560 Y566 V570 L662	V81-L85 WeakPolarHBondContact O-CB 3.45Å; V81-L85 PolarHBondContact O-N 2.93Å; C82-L85 PolarHBondContact O-N 3.42Å; L83-L85 VanDerWaalsContact C-N 3.33Å; L83-L85 PolarHBondContact O-N 3.1Å; L85-D87 VanDerWaalsContact C-N 3.32Å; L85-H88 WeakPolarHBondContact O-CB 3.5Å; L85-H88 PolarHBondContact O-N 3.07Å; L85-Y89 HydrophobicContact CD1-CD1 4.07Å; L85-Y89 HydrophobicContact CD1-CE1 3.46Å; L85-Y89 VanDerWaalsContact CD1-CE1 3.46Å; L85-Y89 HydrophobicContact CG-CD1 4.48Å; L85-Y89 HydrophobicContact CG-CE1 4.08Å; L85-Y89 HydrophobicContact CG-CE2 4.37Å; L85-Y89 PolarHBondContact O-N 3.47Å; L85-P560 HydrophobicContact CD1-CB 3.72Å; L85-Y566 HydrophobicContact CB-CE1 3.73Å; L85-Y566 HydrophobicContact CD2-CD1 3.85Å; L85-Y566 HydrophobicContact CD2-CD2 4.13Å; L85-Y566 HydrophobicContact CD2-CE1 3.61Å; L85-Y566 HydrophobicContact CD2-CE2 3.92Å; L85-Y566 HydrophobicContact CD2-CG 4.11Å; L85-Y566 HydrophobicContact CG-CE1 4.19Å; L85-V570 HydrophobicContact CD2-CB 4.36Å; L85-V570 HydrophobicContact CD2-CG1 3.58Å; L85-V570 HydrophobicContact CD2-CG2 3.98Å; L85-L662 HydrophobicContact CD2-CD1 3.97Å; L85-L662 HydrophobicContact CD2-CD2 4.15Å; L85-L662 HydrophobicContact CG-CD1 4.17Å
86	R	94.9	Very high	93.2	Very high	51 Å²	51	53.8 Å²	53.8	19%	0.192	31%	0.313	C	S	.	.	H	α-helix	trans	-58.2	-48.5	174.3	174.2	-155	65.4	-163.7	-6.3	110.1	C82 L83 H88 Y89 L90 P663 L665	C82-R86 WeakPolarHBondContact O-CB 3.25Å; C82-R86 PolarHBondContact O-N 2.92Å; L83-R86 WeakPolarHBondContact O-CB 3.48Å; L83-R86 PolarHBondContact O-N 3.33Å; R86-H88 VanDerWaalsContact C-N 3.3Å; R86-H88 PolarHBondContact O-N 3.33Å; R86-Y89 PolarHBondContact O-N 3.14Å; R86-Y89 VanDerWaalsContact O-N 3.13Å; R86-L90 HydrophobicContact CG-CD1 3.96Å; R86-L90 HydrophobicContact CG-CG 4.39Å; R86-L90 WeakPolarHBondContact O-CG 3.35Å; R86-L90 PolarHBondContact O-N 3.41Å; R86-P663 WeakPolarHBondContact CD-O 3.4Å; R86-P663 VanDerWaalsContact CG-O 3.31Å; R86-P663 WeakPolarHBondContact CG-O 3.46Å; R86-L665 HydrophobicContact CG-CD2 4.14Å; R86-L665 HydrophobicContact CG-CG 4.31Å
87	D	93.6	Very high	93.3	Very high	74 Å²	74	52.3 Å²	52.3	40%	0.396	30%	0.303	S	S	.	.	H	α-helix	trans	-64.7	-38.8	-177.8	-66.7	-11.9	0	0	0	110.9	L83 D84 L85 L90 A91	L83-D87 WeakPolarHBondContact O-CB 3.48Å; L83-D87 PolarHBondContact O-N 3.04Å; D84-D87 PolarHBondContact O-N 3.3Å; L85-D87 VanDerWaalsContact C-N 3.32Å; D87-L90 PolarHBondContact O-N 3.08Å; D87-A91 VanDerWaalsContact O-CB 3.3Å; D87-A91 WeakPolarHBondContact O-CB 3.43Å; D87-A91 PolarHBondContact O-N 2.94Å
88	H	91.1	Very high	93.3	Very high	47 Å²	47	54.3 Å²	54.3	22%	0.218	32%	0.32	C	S	.	.	H	α-helix	trans	-57.8	-48.1	170.4	-178.8	77	0	0	0	112	D84 L85 R86 L90 A91 S92 E120	D84-H88 WeakPolarHBondContact O-CB 3.43Å; D84-H88 PolarHBondContact O-N 3.43Å; L85-H88 WeakPolarHBondContact O-CB 3.5Å; L85-H88 PolarHBondContact O-N 3.07Å; R86-H88 VanDerWaalsContact C-N 3.3Å; R86-H88 PolarHBondContact O-N 3.33Å; H88-L90 PolarHBondContact O-N 3.45Å; H88-A91 PolarHBondContact O-N 3.19Å; H88-S92 PolarHBondContact O-N 3.39Å; H88-S92 PolarHBondContact O-OG 2.96Å; H88-S92 VanDerWaalsContact O-OG 3.12Å; H88-E120 IonicContact CE1-OE2 2.73Å
89	Y	93.3	Very high	93.3	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-65.9	-36	179	-77.4	8.9	0	0	0	113.4	L85 R86 S92 G93 L662 L665 R675 S676 Q679	L85-Y89 HydrophobicContact CD1-CD1 4.07Å; L85-Y89 HydrophobicContact CD1-CE1 3.46Å; L85-Y89 VanDerWaalsContact CD1-CE1 3.46Å; L85-Y89 HydrophobicContact CG-CD1 4.48Å; L85-Y89 HydrophobicContact CG-CE1 4.08Å; L85-Y89 HydrophobicContact CG-CE2 4.37Å; L85-Y89 PolarHBondContact O-N 3.47Å; R86-Y89 PolarHBondContact O-N 3.14Å; R86-Y89 VanDerWaalsContact O-N 3.13Å; Y89-S92 PolarHBondContact O-OG 3.28Å; Y89-G93 PolarHBondContact O-N 2.76Å; Y89-L662 HydrophobicContact CD2-CD1 3.67Å; Y89-L662 HydrophobicContact CE2-CD1 3.62Å; Y89-L665 HydrophobicContact CD2-CD1 3.91Å; Y89-R675 VanDerWaalsContact C-NH2 3.34Å; Y89-R675 HydrophobicContact CD2-CG 4.25Å; Y89-R675 HydrophobicContact CE2-CG 4.37Å; Y89-R675 PolarHBondContact O-NH2 2.9Å; Y89-S676 WeakPolarHBondContact OH-CA 3.46Å; Y89-S676 VanDerWaalsContact OH-CB 3.24Å; Y89-S676 WeakPolarHBondContact OH-CB 3.27Å; Y89-Q679 HydrophobicContact CD1-CB 4.22Å; Y89-Q679 HydrophobicContact CD1-CG 3.6Å; Y89-Q679 HydrophobicContact CE1-CB 3.6Å; Y89-Q679 HydrophobicContact CE1-CG 3.39Å; Y89-Q679 HydrophobicContact CE2-CG 4.39Å; Y89-Q679 HydrophobicContact CG-CG 4.22Å
90	L	92.4	Very high	93.3	Very high	77 Å²	77	46.9 Å²	46.9	40%	0.403	29%	0.286	S	S	.	.	H	α-helix	trans	-68.8	-37.7	175.5	-73.1	173.5	0	0	0	111.4	R86 D87 H88 L665	R86-L90 HydrophobicContact CG-CD1 3.96Å; R86-L90 HydrophobicContact CG-CG 4.39Å; R86-L90 WeakPolarHBondContact O-CG 3.35Å; R86-L90 PolarHBondContact O-N 3.41Å; D87-L90 PolarHBondContact O-N 3.08Å; H88-L90 PolarHBondContact O-N 3.45Å; L90-L665 HydrophobicContact CD2-CD2 3.57Å; L90-L665 HydrophobicContact CG-CD2 3.77Å
91	A	90.6	Very high	93.1	Very high	68 Å²	68	47.5 Å²	47.5	56%	0.562	29%	0.287	S	S	*	.	H	α-helix	trans	-70.3	-37.3	178.3	0	0	0	0	0	112.8	D87 H88 R110	D87-A91 VanDerWaalsContact O-CB 3.3Å; D87-A91 WeakPolarHBondContact O-CB 3.43Å; D87-A91 PolarHBondContact O-N 2.94Å; H88-A91 PolarHBondContact O-N 3.19Å; A91-R110 WeakPolarHBondContact O-CB 3.29Å
92	S	90.3	Very high	93.1	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.028	29%	0.29	C	S	.	.	H	α-helix	trans	-85.6	-30.1	-179.1	62.5	0	0	0	0	114	H88 Y89 A107 C108 G109 R110 A111 Q679	H88-S92 PolarHBondContact O-N 3.39Å; H88-S92 PolarHBondContact O-OG 2.96Å; H88-S92 VanDerWaalsContact O-OG 3.12Å; Y89-S92 PolarHBondContact O-OG 3.28Å; S92-A107 CarbonylContact C-O 3.57Å; S92-A107 PolarHBondContact OG-O 3Å; S92-C108 CarbonylContact O-C 3.46Å; S92-C108 VanDerWaalsContact O-CA 3.31Å; S92-C108 WeakPolarHBondContact O-CA 3.42Å; S92-G109 PolarHBondContact O-N 3.3Å; S92-R110 WeakPolarHBondContact O-CA 3.35Å; S92-R110 PolarHBondContact O-N 3.12Å; S92-A111 PolarHBondContact O-N 3.38Å; S92-Q679 VanDerWaalsContact OG-CD 3.3Å; S92-Q679 PolarHBondContact OG-NE2 3.32Å; S92-Q679 PolarHBondContact OG-OE1 2.88Å
93	G	90.5	Very high	93.1	Very high	4 Å²	4	48.3 Å²	48.3	4%	0.041	29%	0.29	C	S	.	.			trans	-78.1	154.9	-173.1	0	0	0	0	0	115.3	Y89 F106 A107 R110	Y89-G93 PolarHBondContact O-N 2.76Å; G93-F106 WeakPolarHBondContact CA-O 3.44Å; G93-A107 VanDerWaalsContact CA-O 3.31Å; G93-A107 WeakPolarHBondContact CA-O 3.34Å; G93-A107 PolarHBondContact N-O 3.47Å; G93-R110 WeakPolarHBondContact O-CD 3.49Å; G93-R110 WeakPolarHBondContact O-CG 3.35Å
94	N	92.6	Very high	92.9	Very high	35 Å²	35	47 Å²	47	19%	0.187	28%	0.282	C	S	.	.			trans	-126.8	94.1	172.8	-170	8	0	0	0	111.4	S96 V97 S105 F106 R110	N94-S96 PolarHBondContact O-N 3.47Å; N94-S96 VanDerWaalsContact O-N 3.16Å; N94-S96 WeakPolarHBondContact OD1-CB 3.4Å; N94-S96 PolarHBondContact OD1-N 2.94Å; N94-V97 PolarHBondContact O-N 2.99Å; N94-S105 WeakPolarHBondContact CB-O 3.36Å; N94-F106 PolarHBondContact N-O 2.74Å; N94-R110 HydrophobicContact CB-CG 4.13Å; N94-R110 PolarHBondContact OD1-NH2 3.16Å
95	T	89.1	Confident	92.8	Very high	102 Å²	102	43.4 Å²	43.4	63%	0.626	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-8.4	-179.4	53.4	0	0	0	0	114.3	V97	T95-V97 PolarHBondContact O-N 3.18Å
96	S	92.8	Very high	92.8	Very high	101 Å²	101	44 Å²	44	71%	0.706	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-14	172.6	-54.9	0	0	0	0	113.1	N94	N94-S96 PolarHBondContact O-N 3.47Å; N94-S96 VanDerWaalsContact O-N 3.16Å; N94-S96 WeakPolarHBondContact OD1-CB 3.4Å; N94-S96 PolarHBondContact OD1-N 2.94Å
97	V	93.3	Very high	92.7	Very high	36 Å²	36	41.6 Å²	41.6	22%	0.218	26%	0.259	C	S	.	.	S	Bend	trans	-98.5	130.9	177.1	178.9	0	0	0	0	109.5	N94 T95 D102 F106	N94-V97 PolarHBondContact O-N 2.99Å; T95-V97 PolarHBondContact O-N 3.18Å; V97-D102 HydrophobicContact CG1-CB 3.96Å; V97-D102 WeakPolarHBondContact CG1-O 3.47Å; V97-F106 WeakPolarHBondContact O-CD2 3.37Å
98	A	93.3	Very high	92.7	Very high	51 Å²	51	38.4 Å²	38.4	42%	0.421	24%	0.242	S	C	.	.			trans	-71.4	130.5	179.1	0	0	0	0	0	110.7	C100 T101 D102	A98-C100 PolarHBondContact O-N 3.37Å; A98-C100 VanDerWaalsContact O-N 3.09Å; A98-T101 HydrophobicContact CB-CG2 4.06Å; A98-T101 PolarHBondContact O-N 3.19Å; A98-T101 PolarHBondContact O-OG1 3.35Å; A98-D102 PolarHBondContact O-N 3.01Å
99	P	94.4	Very high	92.5	Very high	30 Å²	30	38.1 Å²	38.1	20%	0.195	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.7	-174.5	22.1	-33.2	0	0	0	113.7	F103 F106 F715 L723	P99-F103 HydrophobicContact CB-CD2 3.58Å; P99-F103 HydrophobicContact CB-CE2 3.86Å; P99-F103 WeakPolarHBondContact O-CB 3.37Å; P99-F106 HydrophobicContact CB-CD1 4.17Å; P99-F106 HydrophobicContact CB-CD2 4.37Å; P99-F106 HydrophobicContact CB-CE1 4.47Å; P99-F106 HydrophobicContact CB-CG 4.11Å; P99-F715 HydrophobicContact CB-CD1 3.56Å; P99-F715 HydrophobicContact CB-CE1 3.97Å; P99-F715 HydrophobicContact CB-CG 4.25Å; P99-F715 HydrophobicContact CG-CD1 3.57Å; P99-F715 HydrophobicContact CG-CE1 4.22Å; P99-F715 HydrophobicContact CG-CG 4.42Å; P99-L723 WeakPolarHBondContact O-CD1 3.32Å
100	C	94.6	Very high	92.1	Very high	27 Å²	27	44.2 Å²	44.2	18%	0.182	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-10.8	177.2	-63.9	0	0	0	0	114.4	A98 F715 C717	A98-C100 PolarHBondContact O-N 3.37Å; A98-C100 VanDerWaalsContact O-N 3.09Å; C100-F715 PolarHBondContact SG-O 3.45Å; C100-C717 VanDerWaalsContact CA-SG 3.53Å; C100-C717 HydrophobicContact CB-CB 3.64Å; C100-C717 WeakPolarHBondContact CB-SG 3.22Å; C100-C717 WeakPolarHBondContact SG-CA 3.43Å; C100-C717 WeakPolarHBondContact SG-CB 3.48Å; C100-C717 PolarHBondContact SG-N 3.37Å; C100-C717 VanDerWaalsContact SG-N 3.44Å; C100-C717 CovalentContact SG-SG 2.04Å; C100-C717 PolarHBondContact SG-SG 3.17Å
101	T	92.3	Very high	91.5	Very high	97 Å²	97	41.3 Å²	41.3	60%	0.595	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-51	178.2	58.1	0	0	0	0	111	A98	A98-T101 HydrophobicContact CB-CG2 4.06Å; A98-T101 PolarHBondContact O-N 3.19Å; A98-T101 PolarHBondContact O-OG1 3.35Å
102	D	93.5	Very high	90.4	Very high	45 Å²	45	45.4 Å²	45.4	24%	0.241	27%	0.267	C	S	.	.			trans	-148.8	94.6	176.4	-178.7	-6.3	0	0	0	109.3	V97 A98 F104 S105 F106 H702	V97-D102 HydrophobicContact CG1-CB 3.96Å; V97-D102 WeakPolarHBondContact CG1-O 3.47Å; A98-D102 PolarHBondContact O-N 3.01Å; D102-F104 VanDerWaalsContact C-N 3.31Å; D102-F104 PolarHBondContact O-N 2.93Å; D102-F104 WeakPolarHBondContact OD1-CB 3.27Å; D102-F104 PolarHBondContact OD1-N 3.46Å; D102-F104 VanDerWaalsContact OD1-N 3.09Å; D102-S105 VanDerWaalsContact CG-CB 3.44Å; D102-S105 VanDerWaalsContact CG-OG 3.31Å; D102-S105 PolarHBondContact O-N 3.09Å; D102-S105 PolarHBondContact OD1-N 3.35Å; D102-S105 WeakPolarHBondContact OD2-CB 3.29Å; D102-S105 PolarHBondContact OD2-OG 2.93Å; D102-F106 WeakPolarHBondContact O-CB 3.49Å; D102-F106 PolarHBondContact O-N 3.46Å; D102-H702 IonicContact OD1-CE1 3.37Å; D102-H702 PolarHBondContact OD1-CE1 2.9Å; D102-H702 IonicContact OD1-NE2 3.89Å; D102-H702 PolarHBondContact OD1-NE2 3.28Å
103	F	95.8	Very high	88.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-70	-30.2	-179.2	-162.5	-103.2	0	0	0	113	P99 F106 A107 F674 A678 V701 L705 F711 F715 L723	P99-F103 HydrophobicContact CB-CD2 3.58Å; P99-F103 HydrophobicContact CB-CE2 3.86Å; P99-F103 WeakPolarHBondContact O-CB 3.37Å; F103-F106 AromaticContact CD2-CD1 3.89Å; F103-F106 HydrophobicContact CD2-CD1 3.89Å; F103-F106 AromaticContact CE2-CD1 3.59Å; F103-F106 HydrophobicContact CE2-CD1 3.59Å; F103-F106 AromaticContact CE2-CE1 3.86Å; F103-F106 HydrophobicContact CE2-CE1 3.86Å; F103-F106 HydrophobicContact CZ-CD1 4.16Å; F103-F106 HydrophobicContact CZ-CE1 4.31Å; F103-F106 PolarHBondContact O-N 3.22Å; F103-A107 WeakPolarHBondContact O-CB 3.4Å; F103-A107 PolarHBondContact O-N 2.88Å; F103-F674 HydrophobicContact CE1-CB 4.19Å; F103-F674 WeakPolarHBondContact CE1-O 3.4Å; F103-F674 HydrophobicContact CZ-CB 3.99Å; F103-A678 HydrophobicContact CD1-CB 3.82Å; F103-A678 HydrophobicContact CE1-CB 3.66Å; F103-V701 HydrophobicContact CD1-CG1 4.02Å; F103-L705 HydrophobicContact CB-CD1 3.82Å; F103-L705 HydrophobicContact CD1-CD1 3.27Å; F103-L705 HydrophobicContact CE1-CD1 4Å; F103-L705 HydrophobicContact CG-CD1 3.7Å; F103-F711 HydrophobicContact CB-CZ 4.1Å; F103-F711 HydrophobicContact CD1-CE2 4.24Å; F103-F711 AromaticContact CD2-CE2 3.5Å; F103-F711 HydrophobicContact CD2-CE2 3.5Å; F103-F711 VanDerWaalsContact CD2-CE2 3.5Å; F103-F711 AromaticContact CD2-CZ 3.53Å; F103-F711 HydrophobicContact CD2-CZ 3.53Å; F103-F711 HydrophobicContact CE1-CE2 4.28Å; F103-F711 AromaticContact CE2-CE2 3.58Å; F103-F711 HydrophobicContact CE2-CE2 3.58Å; F103-F711 HydrophobicContact CE2-CZ 4.08Å; F103-F711 AromaticContact CG-CE2 3.84Å; F103-F711 HydrophobicContact CG-CE2 3.84Å; F103-F711 AromaticContact CG-CZ 3.81Å; F103-F711 HydrophobicContact CG-CZ 3.81Å; F103-F711 AromaticContact CZ-CE2 3.97Å; F103-F711 HydrophobicContact CZ-CE2 3.97Å; F103-F715 HydrophobicContact CE2-CD1 4.3Å; F103-F715 HydrophobicContact CE2-CD2 4.41Å; F103-F715 AromaticContact CE2-CE1 3.72Å; F103-F715 HydrophobicContact CE2-CE1 3.72Å; F103-F715 AromaticContact CE2-CE2 3.85Å; F103-F715 HydrophobicContact CE2-CE2 3.85Å; F103-F715 AromaticContact CE2-CZ 3.47Å; F103-F715 HydrophobicContact CE2-CZ 3.47Å; F103-F715 VanDerWaalsContact CE2-CZ 3.47Å; F103-F715 HydrophobicContact CZ-CE1 4.44Å; F103-F715 HydrophobicContact CZ-CE2 4.1Å; F103-F715 AromaticContact CZ-CZ 3.78Å; F103-F715 HydrophobicContact CZ-CZ 3.78Å; F103-L723 HydrophobicContact CB-CD1 3.96Å
104	F	93.6	Very high	86.9	Confident	25 Å²	25	57.7 Å²	57.7	11%	0.11	33%	0.331	C	S	.	.	H	α-helix	trans	-63.3	-50.7	175.1	178.3	-91.7	0	0	0	109.9	D102 F106 A107 C108 R683 P697 H698 V701 H702	D102-F104 VanDerWaalsContact C-N 3.31Å; D102-F104 PolarHBondContact O-N 2.93Å; D102-F104 WeakPolarHBondContact OD1-CB 3.27Å; D102-F104 PolarHBondContact OD1-N 3.46Å; D102-F104 VanDerWaalsContact OD1-N 3.09Å; F104-F106 VanDerWaalsContact C-N 3.34Å; F104-F106 PolarHBondContact O-N 3.31Å; F104-A107 PolarHBondContact O-N 2.95Å; F104-C108 HydrophobicContact CE1-CB 4.17Å; F104-C108 HydrophobicContact CE2-CB 4.18Å; F104-C108 HydrophobicContact CZ-CB 3.98Å; F104-C108 WeakPolarHBondContact O-CA 3.2Å; F104-C108 VanDerWaalsContact O-CB 3.29Å; F104-C108 WeakPolarHBondContact O-CB 3.27Å; F104-C108 PolarHBondContact O-N 3.07Å; F104-R683 WeakPolarHBondContact CZ-O 3.44Å; F104-P697 HydrophobicContact CE2-CB 3.88Å; F104-P697 HydrophobicContact CZ-CB 4.23Å; F104-H698 HydrophobicContact CB-CB 4.32Å; F104-H698 HydrophobicContact CD1-CB 4.17Å; F104-H698 HydrophobicContact CD2-CB 4.33Å; F104-H698 HydrophobicContact CG-CB 4Å; F104-V701 HydrophobicContact CB-CB 4.36Å; F104-V701 HydrophobicContact CB-CG1 4.32Å; F104-V701 HydrophobicContact CD2-CB 4.25Å; F104-V701 HydrophobicContact CD2-CG2 3.87Å; F104-H702 PolarHBondContact N-NE2 3.03Å
105	S	92.4	Very high	85.5	Confident	33 Å²	33	57.6 Å²	57.6	23%	0.231	33%	0.33	C	S	.	.	H	α-helix	trans	-65.4	-35.2	175.5	-68.8	0	0	0	0	112.7	N94 D102 A107 G109	N94-S105 WeakPolarHBondContact CB-O 3.36Å; D102-S105 VanDerWaalsContact CG-CB 3.44Å; D102-S105 VanDerWaalsContact CG-OG 3.31Å; D102-S105 PolarHBondContact O-N 3.09Å; D102-S105 PolarHBondContact OD1-N 3.35Å; D102-S105 WeakPolarHBondContact OD2-CB 3.29Å; D102-S105 PolarHBondContact OD2-OG 2.93Å; S105-A107 VanDerWaalsContact C-N 3.32Å; S105-A107 PolarHBondContact O-N 3.34Å; S105-G109 WeakPolarHBondContact O-CA 3.31Å; S105-G109 PolarHBondContact O-N 3.46Å
106	F	94.6	Very high	85.1	Confident	16 Å²	16	54.3 Å²	54.3	7%	0.07	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-43	172.1	169.6	-99.1	0	0	0	112.1	G93 N94 V97 P99 D102 F103 F104 F715	G93-F106 WeakPolarHBondContact CA-O 3.44Å; N94-F106 PolarHBondContact N-O 2.74Å; V97-F106 WeakPolarHBondContact O-CD2 3.37Å; P99-F106 HydrophobicContact CB-CD1 4.17Å; P99-F106 HydrophobicContact CB-CD2 4.37Å; P99-F106 HydrophobicContact CB-CE1 4.47Å; P99-F106 HydrophobicContact CB-CG 4.11Å; D102-F106 WeakPolarHBondContact O-CB 3.49Å; D102-F106 PolarHBondContact O-N 3.46Å; F103-F106 AromaticContact CD2-CD1 3.89Å; F103-F106 HydrophobicContact CD2-CD1 3.89Å; F103-F106 AromaticContact CE2-CD1 3.59Å; F103-F106 HydrophobicContact CE2-CD1 3.59Å; F103-F106 AromaticContact CE2-CE1 3.86Å; F103-F106 HydrophobicContact CE2-CE1 3.86Å; F103-F106 HydrophobicContact CZ-CD1 4.16Å; F103-F106 HydrophobicContact CZ-CE1 4.31Å; F103-F106 PolarHBondContact O-N 3.22Å; F104-F106 VanDerWaalsContact C-N 3.34Å; F104-F106 PolarHBondContact O-N 3.31Å; F106-F715 HydrophobicContact CE1-CE1 4.49Å
107	A	93.8	Very high	84.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-84.1	-35.1	-178.3	0	0	0	0	0	114	S92 G93 F103 F104 S105 A678 Q679	S92-A107 CarbonylContact C-O 3.57Å; S92-A107 PolarHBondContact OG-O 3Å; G93-A107 VanDerWaalsContact CA-O 3.31Å; G93-A107 WeakPolarHBondContact CA-O 3.34Å; G93-A107 PolarHBondContact N-O 3.47Å; F103-A107 WeakPolarHBondContact O-CB 3.4Å; F103-A107 PolarHBondContact O-N 2.88Å; F104-A107 PolarHBondContact O-N 2.95Å; S105-A107 VanDerWaalsContact C-N 3.32Å; S105-A107 PolarHBondContact O-N 3.34Å; A107-A678 HydrophobicContact CB-CB 3.59Å; A107-Q679 PolarHBondContact O-NE2 3.16Å
108	C	92.1	Very high	84.5	Confident	7 Å²	7	50.5 Å²	50.5	5%	0.047	28%	0.277	C	S	.	.	H	α-helix	trans	-124.9	-0.9	-166.5	-54.1	0	0	0	0	114.1	S92 F104 R110 A111 C682	S92-C108 CarbonylContact O-C 3.46Å; S92-C108 VanDerWaalsContact O-CA 3.31Å; S92-C108 WeakPolarHBondContact O-CA 3.42Å; F104-C108 HydrophobicContact CE1-CB 4.17Å; F104-C108 HydrophobicContact CE2-CB 4.18Å; F104-C108 HydrophobicContact CZ-CB 3.98Å; F104-C108 WeakPolarHBondContact O-CA 3.2Å; F104-C108 VanDerWaalsContact O-CB 3.29Å; F104-C108 WeakPolarHBondContact O-CB 3.27Å; F104-C108 PolarHBondContact O-N 3.07Å; C108-R110 PolarHBondContact O-N 3.42Å; C108-A111 WeakPolarHBondContact O-CB 3.1Å; C108-A111 PolarHBondContact O-N 2.83Å; C108-C682 HydrophobicContact CB-CB 3.8Å; C108-C682 WeakPolarHBondContact CB-SG 3.45Å; C108-C682 WeakPolarHBondContact SG-CA 3.31Å; C108-C682 WeakPolarHBondContact SG-CB 3.32Å; C108-C682 CovalentContact SG-SG 2.03Å; C108-C682 PolarHBondContact SG-SG 2.76Å
109	G	86.8	Confident	84.3	Confident	40 Å²	40	53.2 Å²	53.2	41%	0.412	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.8	-166.7	0	0	0	0	0	116.2	S92 S105	S92-G109 PolarHBondContact O-N 3.3Å; S105-G109 WeakPolarHBondContact O-CA 3.31Å; S105-G109 PolarHBondContact O-N 3.46Å
110	R	86.6	Confident	84	Confident	131 Å²	131	54.8 Å²	54.8	49%	0.494	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	4.7	172.7	-63.6	-174	-168.4	158.9	2.5	113.3	A91 S92 G93 N94 C108 K112	A91-R110 WeakPolarHBondContact O-CB 3.29Å; S92-R110 WeakPolarHBondContact O-CA 3.35Å; S92-R110 PolarHBondContact O-N 3.12Å; G93-R110 WeakPolarHBondContact O-CD 3.49Å; G93-R110 WeakPolarHBondContact O-CG 3.35Å; N94-R110 HydrophobicContact CB-CG 4.13Å; N94-R110 PolarHBondContact OD1-NH2 3.16Å; C108-R110 PolarHBondContact O-N 3.42Å; R110-K112 PolarHBondContact O-N 3.02Å
111	A	78.9	Confident	83.8	Confident	16 Å²	16	53.7 Å²	53.7	13%	0.132	28%	0.278	C	S	.	.			trans	-56	132.1	173.4	0	0	0	0	0	109.5	S92 C108 N115	S92-A111 PolarHBondContact O-N 3.38Å; C108-A111 WeakPolarHBondContact O-CB 3.1Å; C108-A111 PolarHBondContact O-N 2.83Å; A111-N115 HydrophobicContact CB-CB 3.85Å
112	K	68	Low	83.8	Confident	153 Å²	153	50.2 Å²	50.2	67%	0.665	26%	0.259	S	S	*	.			trans	-62.6	162	-178.2	-58.6	180	176.1	178.1	0	110.1	R110 T114 N115	R110-K112 PolarHBondContact O-N 3.02Å; K112-T114 PolarHBondContact O-N 3.22Å; K112-N115 WeakPolarHBondContact CB-OD1 3.37Å; K112-N115 VanDerWaalsContact N-CG 3.34Å; K112-N115 PolarHBondContact N-ND2 3.36Å; K112-N115 VanDerWaalsContact N-ND2 3.2Å; K112-N115 VanDerWaalsContact O-CB 3.3Å; K112-N115 WeakPolarHBondContact O-CB 3.46Å; K112-N115 PolarHBondContact O-N 3.5Å
113	E	53.8	Low	83.8	Confident	157 Å²	157	50.3 Å²	50.3	73%	0.734	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.6	-176.8	-48.6	-144.1	113.5	0	0	114.4	K684	E113-K684 HydrophobicContact CB-CD 4.32Å; E113-K684 VanDerWaalsContact CG-NZ 3.33Å; E113-K684 IonicContact OE1-NZ 3.78Å; E113-K684 PolarHBondContact OE1-NZ 3.08Å
114	T	52.8	Low	83.7	Confident	110 Å²	110	54.9 Å²	54.9	68%	0.675	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-0.6	178.3	54.2	0	0	0	0	114.3	K112 N116	K112-T114 PolarHBondContact O-N 3.22Å; T114-N116 PolarHBondContact O-N 3.23Å; T114-N116 VanDerWaalsContact O-N 3.16Å
115	N	62.9	Low	83.8	Confident	32 Å²	32	53.7 Å²	53.7	17%	0.171	28%	0.276	C	S	.	.			trans	-83.7	96.7	-170.9	-75.8	21.5	0	0	0	111.3	A111 K112 E120 R683	A111-N115 HydrophobicContact CB-CB 3.85Å; K112-N115 WeakPolarHBondContact CB-OD1 3.37Å; K112-N115 VanDerWaalsContact N-CG 3.34Å; K112-N115 PolarHBondContact N-ND2 3.36Å; K112-N115 VanDerWaalsContact N-ND2 3.2Å; K112-N115 VanDerWaalsContact O-CB 3.3Å; K112-N115 WeakPolarHBondContact O-CB 3.46Å; K112-N115 PolarHBondContact O-N 3.5Å; N115-E120 VanDerWaalsContact CA-OE1 3.23Å; N115-E120 WeakPolarHBondContact CA-OE1 3.34Å; N115-E120 VanDerWaalsContact CB-OE1 3.25Å; N115-E120 WeakPolarHBondContact CB-OE1 3.47Å; N115-E120 PolarHBondContact ND2-OE1 3.09Å; N115-E120 PolarHBondContact OD1-OE1 3.38Å; N115-R683 WeakPolarHBondContact O-CA 3.33Å
116	N	80.8	Confident	84	Confident	33 Å²	33	54 Å²	54	18%	0.176	27%	0.273	C	S	.	.			trans	-114.3	115.2	160.6	166.8	-9.6	0	0	0	106.5	T114 F118 Q119 E120 C682 R683	T114-N116 PolarHBondContact O-N 3.23Å; T114-N116 VanDerWaalsContact O-N 3.16Å; N116-F118 PolarHBondContact O-N 3.08Å; N116-F118 WeakPolarHBondContact OD1-CB 3.37Å; N116-F118 PolarHBondContact OD1-N 2.92Å; N116-Q119 HydrophobicContact CB-CB 3.73Å; N116-Q119 PolarHBondContact O-N 3.01Å; N116-Q119 PolarHBondContact OD1-N 2.89Å; N116-E120 WeakPolarHBondContact O-CG 3.41Å; N116-E120 PolarHBondContact O-N 3.39Å; N116-C682 WeakPolarHBondContact CA-O 3.32Å; N116-R683 HydrophobicContact CB-CB 4.16Å; N116-R683 HydrophobicContact CB-CG 3.88Å; N116-R683 WeakPolarHBondContact ND2-CD 3.49Å
117	S	85.4	Confident	84	Confident	4 Å²	4	56.1 Å²	56.1	3%	0.028	29%	0.285	C	S	.	.	H	α-helix	trans	-53.4	-39.7	-175.4	-61.1	0	0	0	0	113	L121 Q679 C682	S117-L121 WeakPolarHBondContact O-CB 3.49Å; S117-L121 PolarHBondContact O-N 3.39Å; S117-L121 VanDerWaalsContact O-N 3.13Å; S117-Q679 PolarHBondContact OG-O 2.9Å; S117-C682 PolarHBondContact N-O 3.28Å; S117-C682 VanDerWaalsContact N-O 3.16Å
118	F	88.8	Confident	84.1	Confident	54 Å²	54	58 Å²	58	24%	0.237	29%	0.292	C	S	.	.	H	α-helix	trans	-69.2	-42.6	175.7	-76.1	-92.7	0	0	0	112.2	N116 L121 A122 V539 L556 F561 I578 V680	N116-F118 PolarHBondContact O-N 3.08Å; N116-F118 WeakPolarHBondContact OD1-CB 3.37Å; N116-F118 PolarHBondContact OD1-N 2.92Å; F118-L121 PolarHBondContact O-N 3.12Å; F118-A122 WeakPolarHBondContact O-CB 3.4Å; F118-A122 PolarHBondContact O-N 3.21Å; F118-V539 HydrophobicContact CB-CG2 4.23Å; F118-V539 HydrophobicContact CD1-CB 4.16Å; F118-V539 HydrophobicContact CD1-CG2 3.96Å; F118-L556 HydrophobicContact CE1-CD1 4.14Å; F118-F561 HydrophobicContact CD1-CE1 4.23Å; F118-F561 HydrophobicContact CD1-CZ 4.07Å; F118-F561 HydrophobicContact CD2-CE1 4.1Å; F118-F561 AromaticContact CD2-CZ 3.81Å; F118-F561 HydrophobicContact CD2-CZ 3.81Å; F118-F561 AromaticContact CE1-CE1 3.82Å; F118-F561 HydrophobicContact CE1-CE1 3.82Å; F118-F561 HydrophobicContact CE1-CZ 4.13Å; F118-F561 AromaticContact CE2-CE1 3.67Å; F118-F561 HydrophobicContact CE2-CE1 3.67Å; F118-F561 AromaticContact CE2-CZ 3.88Å; F118-F561 HydrophobicContact CE2-CZ 3.88Å; F118-F561 HydrophobicContact CG-CE1 4.37Å; F118-F561 AromaticContact CG-CZ 3.92Å; F118-F561 HydrophobicContact CG-CZ 3.92Å; F118-F561 AromaticContact CZ-CE1 3.52Å; F118-F561 HydrophobicContact CZ-CE1 3.52Å; F118-F561 HydrophobicContact CZ-CZ 4.05Å; F118-I578 HydrophobicContact CZ-CD1 4.12Å; F118-V680 WeakPolarHBondContact CE2-O 3.26Å
119	Q	87.8	Confident	84.3	Confident	107 Å²	107	57.7 Å²	57.7	50%	0.5	29%	0.29	S	S	.	.	H	α-helix	trans	-68.2	-37.4	179.1	-172.8	177.8	-8.4	0	0	112.4	N116 A122 T123	N116-Q119 HydrophobicContact CB-CB 3.73Å; N116-Q119 PolarHBondContact O-N 3.01Å; N116-Q119 PolarHBondContact OD1-N 2.89Å; Q119-A122 PolarHBondContact O-N 3.37Å; Q119-T123 WeakPolarHBondContact O-CB 3.37Å; Q119-T123 PolarHBondContact O-N 3.44Å; Q119-T123 PolarHBondContact O-OG1 3.44Å
120	E	88.6	Confident	84.8	Confident	64 Å²	64	59.2 Å²	59.2	30%	0.299	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-47.5	173.6	-74.9	-178.4	-166.8	0	0	110.6	H88 N115 N116 T123 K124	H88-E120 IonicContact CE1-OE2 2.73Å; N115-E120 VanDerWaalsContact CA-OE1 3.23Å; N115-E120 WeakPolarHBondContact CA-OE1 3.34Å; N115-E120 VanDerWaalsContact CB-OE1 3.25Å; N115-E120 WeakPolarHBondContact CB-OE1 3.47Å; N115-E120 PolarHBondContact ND2-OE1 3.09Å; N115-E120 PolarHBondContact OD1-OE1 3.38Å; N116-E120 WeakPolarHBondContact O-CG 3.41Å; N116-E120 PolarHBondContact O-N 3.39Å; E120-T123 WeakPolarHBondContact O-CB 3.47Å; E120-T123 PolarHBondContact O-N 2.64Å; E120-K124 WeakPolarHBondContact O-CB 3.47Å; E120-K124 PolarHBondContact O-N 3.21Å
121	L	91.8	Very high	85.3	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-64.2	-43.4	177	-177.7	57.5	0	0	0	111.8	S117 F118 T123 K124 N125 V539 G555 Q558 F561	S117-L121 WeakPolarHBondContact O-CB 3.49Å; S117-L121 PolarHBondContact O-N 3.39Å; S117-L121 VanDerWaalsContact O-N 3.13Å; F118-L121 PolarHBondContact O-N 3.12Å; L121-T123 VanDerWaalsContact C-N 3.28Å; L121-T123 PolarHBondContact O-N 2.73Å; L121-K124 HydrophobicContact CD1-CD 4.47Å; L121-K124 WeakPolarHBondContact O-CB 3.11Å; L121-K124 PolarHBondContact O-N 3.22Å; L121-K124 VanDerWaalsContact O-N 3.15Å; L121-N125 VanDerWaalsContact O-CG 3.3Å; L121-N125 PolarHBondContact O-N 3.43Å; L121-V539 HydrophobicContact CB-CG1 4.04Å; L121-V539 HydrophobicContact CD2-CG1 3.86Å; L121-V539 HydrophobicContact CG-CG1 3.65Å; L121-G555 VanDerWaalsContact CD2-O 3.31Å; L121-G555 WeakPolarHBondContact CD2-O 3.1Å; L121-Q558 HydrophobicContact CD1-CB 4.05Å; L121-F561 HydrophobicContact CB-CE2 4.28Å; L121-F561 HydrophobicContact CD2-CD2 3.55Å; L121-F561 HydrophobicContact CD2-CE2 3.78Å; L121-F561 HydrophobicContact CD2-CG 4.38Å
122	A	92.3	Very high	86	Confident	24 Å²	24	60.2 Å²	60.2	20%	0.198	29%	0.285	C	S	.	.	H	α-helix	trans	-59.7	-40.3	174.5	0	0	0	0	0	111.5	F118 Q119 N125 K126 V539	F118-A122 WeakPolarHBondContact O-CB 3.4Å; F118-A122 PolarHBondContact O-N 3.21Å; Q119-A122 PolarHBondContact O-N 3.37Å; A122-N125 PolarHBondContact O-N 2.97Å; A122-K126 WeakPolarHBondContact O-CG 3Å; A122-K126 PolarHBondContact O-N 3.22Å; A122-V539 HydrophobicContact CB-CG1 4.15Å; A122-V539 HydrophobicContact CB-CG2 4.13Å
123	T	92.3	Very high	87.3	Confident	47 Å²	47	53.1 Å²	53.1	29%	0.288	26%	0.255	S	S	.	.	H	α-helix	trans	-66.7	-39.9	175.7	-58.7	0	0	0	0	111.5	Q119 E120 L121 K126 N127 M408	Q119-T123 WeakPolarHBondContact O-CB 3.37Å; Q119-T123 PolarHBondContact O-N 3.44Å; Q119-T123 PolarHBondContact O-OG1 3.44Å; E120-T123 WeakPolarHBondContact O-CB 3.47Å; E120-T123 PolarHBondContact O-N 2.64Å; L121-T123 VanDerWaalsContact C-N 3.28Å; L121-T123 PolarHBondContact O-N 2.73Å; T123-K126 PolarHBondContact O-N 3.38Å; T123-N127 WeakPolarHBondContact O-CB 3.4Å; T123-N127 PolarHBondContact O-N 3.28Å; T123-N127 PolarHBondContact O-ND2 2.89Å; T123-N127 VanDerWaalsContact O-ND2 3.13Å; T123-M408 HydrophobicContact CG2-CE 4.06Å
124	K	93.9	Very high	89.1	Confident	96 Å²	96	49.5 Å²	49.5	42%	0.417	24%	0.238	S	C	.	.	H	α-helix	trans	-62.1	-42.7	174.1	-174.3	178.5	179.2	179.4	0	111.5	E120 L121 N127 R128	E120-K124 WeakPolarHBondContact O-CB 3.47Å; E120-K124 PolarHBondContact O-N 3.21Å; L121-K124 HydrophobicContact CD1-CD 4.47Å; L121-K124 WeakPolarHBondContact O-CB 3.11Å; L121-K124 PolarHBondContact O-N 3.22Å; L121-K124 VanDerWaalsContact O-N 3.15Å; K124-N127 PolarHBondContact O-N 2.88Å; K124-R128 PolarHBondContact O-N 3.22Å
125	N	95.9	Very high	90.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.4	-42.6	176.1	-68.8	-16.8	0	0	0	111.5	L121 A122 N127 R128 L129 F426 W537 G555 Q558	L121-N125 VanDerWaalsContact O-CG 3.3Å; L121-N125 PolarHBondContact O-N 3.43Å; A122-N125 PolarHBondContact O-N 2.97Å; N125-N127 PolarHBondContact O-N 3.48Å; N125-R128 WeakPolarHBondContact O-CB 3.31Å; N125-R128 PolarHBondContact O-N 3.22Å; N125-R128 VanDerWaalsContact O-N 3.17Å; N125-L129 PolarHBondContact O-N 3.47Å; N125-F426 HydrophobicContact CB-CE2 3.9Å; N125-F426 HydrophobicContact CB-CZ 4.1Å; N125-W537 HydrophobicContact CB-CB 4.28Å; N125-W537 WeakPolarHBondContact CB-O 3.35Å; N125-W537 PolarHBondContact ND2-O 2.67Å; N125-G555 WeakPolarHBondContact ND2-CA 3.28Å; N125-G555 PolarHBondContact ND2-O 3.25Å; N125-Q558 PolarHBondContact OD1-NE2 3.12Å
126	K	95.7	Very high	91.4	Very high	39 Å²	39	54.5 Å²	54.5	17%	0.17	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-38.9	173.7	-70.2	177.3	-170.3	176.5	0	112.7	A122 T123 R128 L129 R130 W407 M408 V411 E412	A122-K126 WeakPolarHBondContact O-CG 3Å; A122-K126 PolarHBondContact O-N 3.22Å; T123-K126 PolarHBondContact O-N 3.38Å; K126-R128 VanDerWaalsContact C-N 3.31Å; K126-R128 PolarHBondContact O-N 3.35Å; K126-L129 PolarHBondContact O-N 2.99Å; K126-R130 WeakPolarHBondContact O-CB 3.43Å; K126-R130 PolarHBondContact O-N 3.23Å; K126-W407 HydrophobicContact CB-CH2 4.13Å; K126-W407 HydrophobicContact CB-CZ3 3.9Å; K126-M408 HydrophobicContact CD-CE 4.36Å; K126-M408 HydrophobicContact CD-CG 3.76Å; K126-M408 HydrophobicContact CD-SD 4.12Å; K126-V411 HydrophobicContact CB-CG1 4.43Å; K126-V411 HydrophobicContact CG-CG1 4.47Å; K126-E412 WeakPolarHBondContact CE-OE1 3.46Å; K126-E412 IonicContact NZ-OE1 3.12Å; K126-E412 PolarHBondContact NZ-OE1 3.06Å
127	N	95.9	Very high	91.3	Very high	61 Å²	61	56.8 Å²	56.8	33%	0.326	27%	0.27	S	S	.	.	H	α-helix	trans	-64.4	-35.6	173.3	-82.3	-49.6	0	0	0	112	T123 K124 N125 R130 R131 W407	T123-N127 WeakPolarHBondContact O-CB 3.4Å; T123-N127 PolarHBondContact O-N 3.28Å; T123-N127 PolarHBondContact O-ND2 2.89Å; T123-N127 VanDerWaalsContact O-ND2 3.13Å; K124-N127 PolarHBondContact O-N 2.88Å; N125-N127 PolarHBondContact O-N 3.48Å; N127-R130 WeakPolarHBondContact O-CB 3.43Å; N127-R130 PolarHBondContact O-N 2.97Å; N127-R131 WeakPolarHBondContact O-CG 3.48Å; N127-R131 PolarHBondContact O-N 3.42Å; N127-W407 WeakPolarHBondContact OD1-CH2 2.98Å; N127-W407 WeakPolarHBondContact OD1-CZ2 3.4Å
128	R	95.9	Very high	91.1	Very high	38 Å²	38	62.6 Å²	62.6	14%	0.143	31%	0.31	C	S	.	.	H	α-helix	trans	-62	-50.3	172.5	175.9	172.5	-73.6	145.9	2	111.1	K124 N125 K126 R130 R131 I132 F426 E429	K124-R128 PolarHBondContact O-N 3.22Å; N125-R128 WeakPolarHBondContact O-CB 3.31Å; N125-R128 PolarHBondContact O-N 3.22Å; N125-R128 VanDerWaalsContact O-N 3.17Å; K126-R128 VanDerWaalsContact C-N 3.31Å; K126-R128 PolarHBondContact O-N 3.35Å; R128-R130 VanDerWaalsContact C-N 3.29Å; R128-R130 PolarHBondContact O-N 3.13Å; R128-R131 WeakPolarHBondContact O-CB 3.49Å; R128-R131 PolarHBondContact O-N 2.64Å; R128-R131 VanDerWaalsContact O-N 3.15Å; R128-I132 HydrophobicContact CG-CD1 4.11Å; R128-I132 WeakPolarHBondContact O-CG1 3.35Å; R128-I132 PolarHBondContact O-N 3.42Å; R128-F426 HydrophobicContact CG-CD2 4.35Å; R128-F426 HydrophobicContact CG-CE2 4.42Å; R128-E429 VanDerWaalsContact CD-CD 3.43Å; R128-E429 WeakPolarHBondContact CD-OE1 3.49Å; R128-E429 HydrophobicContact CG-CG 4.49Å; R128-E429 VanDerWaalsContact CG-OE1 3.31Å; R128-E429 WeakPolarHBondContact CG-OE1 3.01Å; R128-E429 WeakPolarHBondContact CG-OE2 3.39Å; R128-E429 IonicContact CZ-OE1 3.97Å; R128-E429 IonicContact NE-OE1 3.54Å; R128-E429 PolarHBondContact NE-OE1 3.46Å
129	L	96.7	Very high	90.9	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-58.3	-42	175	-68.8	175.7	0	0	0	112.2	N125 K126 R131 I132 L133 V411 L422 F426 W537	N125-L129 PolarHBondContact O-N 3.47Å; K126-L129 PolarHBondContact O-N 2.99Å; L129-R131 PolarHBondContact O-N 2.84Å; L129-I132 HydrophobicContact CD2-CD1 4.4Å; L129-I132 WeakPolarHBondContact O-CB 3.37Å; L129-I132 PolarHBondContact O-N 2.91Å; L129-I132 VanDerWaalsContact O-N 3.16Å; L129-L133 WeakPolarHBondContact O-CG 3.04Å; L129-L133 PolarHBondContact O-N 3.44Å; L129-V411 HydrophobicContact CB-CG1 3.69Å; L129-V411 HydrophobicContact CD1-CG1 3.79Å; L129-V411 HydrophobicContact CG-CG1 4.43Å; L129-L422 HydrophobicContact CD2-CB 4.32Å; L129-L422 HydrophobicContact CD2-CD2 4.17Å; L129-L422 HydrophobicContact CD2-CG 4.39Å; L129-F426 HydrophobicContact CD2-CB 3.96Å; L129-F426 HydrophobicContact CD2-CD2 3.92Å; L129-F426 HydrophobicContact CD2-CG 4.36Å; L129-F426 HydrophobicContact CG-CD2 4.18Å; L129-W537 HydrophobicContact CD1-CB 4.3Å; L129-W537 HydrophobicContact CD1-CD2 3.66Å; L129-W537 HydrophobicContact CD1-CE3 4.22Å; L129-W537 HydrophobicContact CD1-CG 3.7Å; L129-W537 HydrophobicContact CD2-CD2 4.48Å; L129-W537 HydrophobicContact CD2-CE3 4.24Å
130	R	96.9	Very high	90.8	Very high	72 Å²	72	63 Å²	63	27%	0.272	31%	0.31	S	S	.	.	H	α-helix	trans	-55.1	-50.4	173.9	-176.3	-168.2	177.3	-176.6	-9.8	111.2	K126 N127 R128 I132 L133 E134 W407 V411	K126-R130 WeakPolarHBondContact O-CB 3.43Å; K126-R130 PolarHBondContact O-N 3.23Å; N127-R130 WeakPolarHBondContact O-CB 3.43Å; N127-R130 PolarHBondContact O-N 2.97Å; R128-R130 VanDerWaalsContact C-N 3.29Å; R128-R130 PolarHBondContact O-N 3.13Å; R130-I132 VanDerWaalsContact C-N 3.3Å; R130-I132 PolarHBondContact O-N 3.31Å; R130-L133 CarbonylContact O-C 3.43Å; R130-L133 PolarHBondContact O-N 2.87Å; R130-L133 VanDerWaalsContact O-N 3.11Å; R130-E134 HydrophobicContact CG-CG 4.24Å; R130-E134 IonicContact CZ-OE1 2.76Å; R130-E134 VanDerWaalsContact CZ-OE1 3.28Å; R130-E134 IonicContact CZ-OE2 3.6Å; R130-E134 VanDerWaalsContact NE-CD 3.28Å; R130-E134 IonicContact NE-OE1 3.7Å; R130-E134 PolarHBondContact NE-OE1 3.18Å; R130-E134 IonicContact NE-OE2 2.71Å; R130-E134 PolarHBondContact NE-OE2 3.15Å; R130-E134 IonicContact NH2-OE1 3.98Å; R130-E134 PolarHBondContact NH2-OE1 3.45Å; R130-E134 IonicContact NH2-OE2 3.2Å; R130-E134 WeakPolarHBondContact O-CB 3.41Å; R130-E134 WeakPolarHBondContact O-CG 3.24Å; R130-E134 PolarHBondContact O-N 3.13Å; R130-W407 HydrophobicContact CB-CE3 3.89Å; R130-W407 HydrophobicContact CB-CZ3 4.05Å; R130-W407 HydrophobicContact CG-CD2 4.37Å; R130-W407 HydrophobicContact CG-CE3 3.94Å; R130-V411 HydrophobicContact CB-CG2 3.96Å
131	R	95.9	Very high	90.6	Very high	143 Å²	143	65.2 Å²	65.2	54%	0.54	33%	0.33	S	S	.	.	H	α-helix	trans	-58.4	-44	177	-69.6	-173	-51.6	168.3	7.5	111.3	N127 R128 L129 L133 E134 V135 E429	N127-R131 WeakPolarHBondContact O-CG 3.48Å; N127-R131 PolarHBondContact O-N 3.42Å; R128-R131 WeakPolarHBondContact O-CB 3.49Å; R128-R131 PolarHBondContact O-N 2.64Å; R128-R131 VanDerWaalsContact O-N 3.15Å; L129-R131 PolarHBondContact O-N 2.84Å; R131-L133 VanDerWaalsContact C-N 3.28Å; R131-L133 PolarHBondContact O-N 2.98Å; R131-E134 PolarHBondContact O-N 3.4Å; R131-V135 WeakPolarHBondContact O-CG2 3.29Å; R131-V135 PolarHBondContact O-N 2.8Å; R131-V135 VanDerWaalsContact O-N 3.12Å; R131-E429 IonicContact CZ-OE1 3.95Å; R131-E429 IonicContact NH2-OE1 2.85Å; R131-E429 PolarHBondContact NH2-OE1 3.15Å
132	I	93.7	Very high	90.3	Very high	25 Å²	25	65.9 Å²	65.9	13%	0.128	34%	0.338	C	S	.	.	H	α-helix	trans	-57.4	-42.6	176.5	-67.7	165.9	0	0	0	111	R128 L129 R130 L425 E429	R128-I132 HydrophobicContact CG-CD1 4.11Å; R128-I132 WeakPolarHBondContact O-CG1 3.35Å; R128-I132 PolarHBondContact O-N 3.42Å; L129-I132 HydrophobicContact CD2-CD1 4.4Å; L129-I132 WeakPolarHBondContact O-CB 3.37Å; L129-I132 PolarHBondContact O-N 2.91Å; L129-I132 VanDerWaalsContact O-N 3.16Å; R130-I132 VanDerWaalsContact C-N 3.3Å; R130-I132 PolarHBondContact O-N 3.31Å; I132-L425 HydrophobicContact CD1-CB 4.32Å; I132-L425 HydrophobicContact CG2-CB 4.04Å; I132-L425 HydrophobicContact CG2-CD1 3.7Å; I132-L425 HydrophobicContact CG2-CG 4.35Å; I132-E429 WeakPolarHBondContact CD1-OE2 3.07Å; I132-E429 WeakPolarHBondContact CG1-OE2 3.28Å
133	L	95.4	Very high	90.2	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-80.3	-15.9	-178.9	-67	170.3	0	0	0	114.5	L129 R130 R131 A148 F149 Y152 V411 T414 L422	L129-L133 WeakPolarHBondContact O-CG 3.04Å; L129-L133 PolarHBondContact O-N 3.44Å; R130-L133 CarbonylContact O-C 3.43Å; R130-L133 PolarHBondContact O-N 2.87Å; R130-L133 VanDerWaalsContact O-N 3.11Å; R131-L133 VanDerWaalsContact C-N 3.28Å; R131-L133 PolarHBondContact O-N 2.98Å; L133-A148 HydrophobicContact CD2-CB 4.09Å; L133-F149 WeakPolarHBondContact O-CD2 3.32Å; L133-F149 WeakPolarHBondContact O-CE2 3.32Å; L133-Y152 HydrophobicContact CB-CD1 3.94Å; L133-Y152 HydrophobicContact CB-CD2 4.22Å; L133-Y152 HydrophobicContact CB-CE1 4.33Å; L133-Y152 HydrophobicContact CB-CG 3.88Å; L133-Y152 HydrophobicContact CD1-CD2 3.69Å; L133-Y152 HydrophobicContact CD1-CE2 4.27Å; L133-Y152 HydrophobicContact CD1-CG 4.01Å; L133-Y152 HydrophobicContact CG-CG 4.44Å; L133-V411 HydrophobicContact CD1-CG2 4.13Å; L133-T414 HydrophobicContact CD1-CG2 4.06Å; L133-T414 HydrophobicContact CD2-CG2 3.9Å; L133-L422 HydrophobicContact CD1-CD2 4.25Å; L133-L422 HydrophobicContact CD2-CD1 4.45Å
134	E	93	Very high	90.2	Very high	81 Å²	81	62.7 Å²	62.7	38%	0.379	32%	0.316	S	S	.	.	H	α-helix	trans	-98.7	-11.3	178.2	-73.9	178.9	162.7	0	0	112.7	R130 R131 Q136 Y152	R130-E134 HydrophobicContact CG-CG 4.24Å; R130-E134 IonicContact CZ-OE1 2.76Å; R130-E134 VanDerWaalsContact CZ-OE1 3.28Å; R130-E134 IonicContact CZ-OE2 3.6Å; R130-E134 VanDerWaalsContact NE-CD 3.28Å; R130-E134 IonicContact NE-OE1 3.7Å; R130-E134 PolarHBondContact NE-OE1 3.18Å; R130-E134 IonicContact NE-OE2 2.71Å; R130-E134 PolarHBondContact NE-OE2 3.15Å; R130-E134 IonicContact NH2-OE1 3.98Å; R130-E134 PolarHBondContact NH2-OE1 3.45Å; R130-E134 IonicContact NH2-OE2 3.2Å; R130-E134 WeakPolarHBondContact O-CB 3.41Å; R130-E134 WeakPolarHBondContact O-CG 3.24Å; R130-E134 PolarHBondContact O-N 3.13Å; R131-E134 PolarHBondContact O-N 3.4Å; E134-Q136 PolarHBondContact O-N 3.3Å; E134-Y152 HydrophobicContact CG-CE1 3.76Å; E134-Y152 PolarHBondContact OE1-OH 3.2Å
135	V	87.3	Confident	90.1	Very high	69 Å²	69	58.8 Å²	58.8	42%	0.418	30%	0.299	S	S	.	.			trans	-70.9	115.8	177.6	179.3	0	0	0	0	109.7	R131 N137	R131-V135 WeakPolarHBondContact O-CG2 3.29Å; R131-V135 PolarHBondContact O-N 2.8Å; R131-V135 VanDerWaalsContact O-N 3.12Å; V135-N137 VanDerWaalsContact CG1-ND2 3.3Å; V135-N137 WeakPolarHBondContact CG1-ND2 3.33Å; V135-N137 WeakPolarHBondContact CG1-OD1 3.43Å; V135-N137 PolarHBondContact O-N 2.88Å
136	Q	74.9	Confident	90	Very high	177 Å²	177	61 Å²	61	83%	0.827	31%	0.309	S	S	*	.			trans	-73.7	108.4	173.3	-169.5	173.2	3.2	0	0	109.8	E134	E134-Q136 PolarHBondContact O-N 3.3Å
137	N	80.4	Confident	90	Very high	82 Å²	82	60.2 Å²	60.2	44%	0.439	31%	0.306	S	S	.	.			trans	-125.5	159.4	174.7	-66.5	-45.1	0	0	0	110.6	V135 W139	V135-N137 VanDerWaalsContact CG1-ND2 3.3Å; V135-N137 WeakPolarHBondContact CG1-ND2 3.33Å; V135-N137 WeakPolarHBondContact CG1-OD1 3.43Å; V135-N137 PolarHBondContact O-N 2.88Å; N137-W139 HydrophobicContact CB-CD2 3.92Å; N137-W139 HydrophobicContact CB-CE3 4.04Å; N137-W139 HydrophobicContact CB-CH2 3.85Å; N137-W139 HydrophobicContact CB-CZ2 3.65Å; N137-W139 HydrophobicContact CB-CZ3 4.01Å; N137-W139 WeakPolarHBondContact ND2-CH2 3.01Å; N137-W139 VanDerWaalsContact ND2-CZ2 3.34Å; N137-W139 WeakPolarHBondContact ND2-CZ2 3.35Å; N137-W139 PolarHBondContact O-N 2.92Å
138	S	81.1	Confident	89.9	Confident	126 Å²	126	57.4 Å²	57.4	88%	0.881	29%	0.291	S	S	*	.			trans	-76.8	94.4	164.3	55.5	0	0	0	0	109.2
139	W	84.8	Confident	89.9	Confident	53 Å²	53	57.8 Å²	57.8	20%	0.201	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-80.1	155	176.7	-51.5	116.3	0	0	0	111.4	N137 E145 E146 F149	N137-W139 HydrophobicContact CB-CD2 3.92Å; N137-W139 HydrophobicContact CB-CE3 4.04Å; N137-W139 HydrophobicContact CB-CH2 3.85Å; N137-W139 HydrophobicContact CB-CZ2 3.65Å; N137-W139 HydrophobicContact CB-CZ3 4.01Å; N137-W139 WeakPolarHBondContact ND2-CH2 3.01Å; N137-W139 VanDerWaalsContact ND2-CZ2 3.34Å; N137-W139 WeakPolarHBondContact ND2-CZ2 3.35Å; N137-W139 PolarHBondContact O-N 2.92Å; W139-E145 HydrophobicContact CD2-CB 3.86Å; W139-E145 HydrophobicContact CE3-CB 3.49Å; W139-E145 VanDerWaalsContact CE3-CB 3.49Å; W139-E145 HydrophobicContact CE3-CG 3.99Å; W139-E145 HydrophobicContact CG-CB 4.41Å; W139-E145 HydrophobicContact CH2-CB 4.38Å; W139-E145 HydrophobicContact CH2-CG 4.44Å; W139-E145 HydrophobicContact CZ3-CB 3.79Å; W139-E145 VanDerWaalsContact CZ3-CD 3.5Å; W139-E145 HydrophobicContact CZ3-CG 3.81Å; W139-E146 HydrophobicContact CB-CB 3.74Å; W139-E146 HydrophobicContact CB-CG 4.24Å; W139-E146 HydrophobicContact CG-CB 4.25Å; W139-F149 AromaticContact NE1-CG 3.96Å
140	H	84.8	Confident	89.8	Confident	116 Å²	116	61.5 Å²	61.5	54%	0.537	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-67.4	130.7	168.6	-72.1	-67.7	0	0	0	109.3	G142 S143	H140-G142 PolarHBondContact O-N 3.01Å; H140-S143 WeakPolarHBondContact O-CB 3.42Å; H140-S143 PolarHBondContact O-N 2.83Å; H140-S143 VanDerWaalsContact O-N 3.08Å; H140-S143 PolarHBondContact O-OG 3.46Å
141	P	84.8	Confident	89.8	Confident	111 Å²	111	58 Å²	58	72%	0.721	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	132.6	178.3	-27.2	35.3	0	0	0	112	S143 E146	P141-S143 PolarHBondContact O-N 2.9Å; P141-E146 VanDerWaalsContact CA-OE2 3.31Å; P141-E146 WeakPolarHBondContact CA-OE2 3.32Å
142	G	83.9	Confident	89.9	Confident	18 Å²	18	51.3 Å²	51.3	19%	0.186	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-7.6	-179.2	0	0	0	0	0	115.3	H140 E146	H140-G142 PolarHBondContact O-N 3.01Å; G142-E146 PolarHBondContact N-OE2 3Å
143	S	91.2	Very high	90	Very high	3 Å²	3	53 Å²	53	2%	0.021	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-65.5	156.5	179.7	66.3	0	0	0	0	112.8	H140 P141 E145 E146 K147	H140-S143 WeakPolarHBondContact O-CB 3.42Å; H140-S143 PolarHBondContact O-N 2.83Å; H140-S143 VanDerWaalsContact O-N 3.08Å; H140-S143 PolarHBondContact O-OG 3.46Å; P141-S143 PolarHBondContact O-N 2.9Å; S143-E145 VanDerWaalsContact C-N 3.31Å; S143-E145 PolarHBondContact O-N 3.32Å; S143-E146 PolarHBondContact O-N 2.88Å; S143-E146 VanDerWaalsContact O-N 3.17Å; S143-E146 PolarHBondContact OG-N 3.43Å; S143-K147 PolarHBondContact O-N 3.21Å
144	G	92	Very high	90.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.2	-43.1	174.7	0	0	0	0	0	113.3	E146 K147 A148 Q493 Y495	G144-E146 VanDerWaalsContact C-N 3.34Å; G144-E146 PolarHBondContact O-N 3.09Å; G144-K147 PolarHBondContact O-N 3.49Å; G144-A148 WeakPolarHBondContact O-CB 3.39Å; G144-A148 PolarHBondContact O-N 3.37Å; G144-Q493 VanDerWaalsContact CA-O 3.25Å; G144-Q493 WeakPolarHBondContact CA-O 3.29Å; G144-Q493 PolarHBondContact N-O 3.5Å; G144-Y495 VanDerWaalsContact CA-CE2 3.45Å
145	E	93.1	Very high	90.3	Very high	15 Å²	15	50.4 Å²	50.4	7%	0.07	27%	0.274	C	S	.	.	H	α-helix	trans	-53.2	-49.7	172.9	-78.1	164.4	142.7	0	0	111.5	W139 S143 F149 T421 L425 A491 R492	W139-E145 HydrophobicContact CD2-CB 3.86Å; W139-E145 HydrophobicContact CE3-CB 3.49Å; W139-E145 VanDerWaalsContact CE3-CB 3.49Å; W139-E145 HydrophobicContact CE3-CG 3.99Å; W139-E145 HydrophobicContact CG-CB 4.41Å; W139-E145 HydrophobicContact CH2-CB 4.38Å; W139-E145 HydrophobicContact CH2-CG 4.44Å; W139-E145 HydrophobicContact CZ3-CB 3.79Å; W139-E145 VanDerWaalsContact CZ3-CD 3.5Å; W139-E145 HydrophobicContact CZ3-CG 3.81Å; S143-E145 VanDerWaalsContact C-N 3.31Å; S143-E145 PolarHBondContact O-N 3.32Å; E145-F149 VanDerWaalsContact O-CB 3.31Å; E145-F149 WeakPolarHBondContact O-CB 3.34Å; E145-F149 PolarHBondContact O-N 3.23Å; E145-T421 HydrophobicContact CG-CG2 4.46Å; E145-L425 HydrophobicContact CG-CD1 4.07Å; E145-L425 HydrophobicContact CG-CD2 4.22Å; E145-L425 WeakPolarHBondContact OE1-CD2 2.84Å; E145-A491 HydrophobicContact CG-CB 4.35Å; E145-A491 WeakPolarHBondContact CG-O 3.36Å; E145-A491 PolarHBondContact N-O 3.4Å; E145-R492 WeakPolarHBondContact OE2-CG 3.03Å
146	E	92.9	Very high	90.8	Very high	45 Å²	45	49.9 Å²	49.9	21%	0.21	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-48.5	179.2	-169.2	-169.4	-155.7	0	0	111.9	W139 P141 G142 S143 G144 F149 Q150	W139-E146 HydrophobicContact CB-CB 3.74Å; W139-E146 HydrophobicContact CB-CG 4.24Å; W139-E146 HydrophobicContact CG-CB 4.25Å; P141-E146 VanDerWaalsContact CA-OE2 3.31Å; P141-E146 WeakPolarHBondContact CA-OE2 3.32Å; G142-E146 PolarHBondContact N-OE2 3Å; S143-E146 PolarHBondContact O-N 2.88Å; S143-E146 VanDerWaalsContact O-N 3.17Å; S143-E146 PolarHBondContact OG-N 3.43Å; G144-E146 VanDerWaalsContact C-N 3.34Å; G144-E146 PolarHBondContact O-N 3.09Å; E146-F149 WeakPolarHBondContact O-CB 3.39Å; E146-F149 PolarHBondContact O-N 3.39Å; E146-Q150 HydrophobicContact CG-CG 4.38Å; E146-Q150 WeakPolarHBondContact O-CB 3.42Å; E146-Q150 VanDerWaalsContact O-CG 3.31Å; E146-Q150 WeakPolarHBondContact O-CG 3.47Å; E146-Q150 PolarHBondContact O-N 3.34Å; E146-Q150 PolarHBondContact OE1-NE2 3.29Å; E146-Q150 VanDerWaalsContact OE1-NE2 3.16Å
147	K	94.6	Very high	91.8	Very high	24 Å²	24	45 Å²	45	10%	0.104	25%	0.247	C	C	.	.	H	α-helix	trans	-68.7	-37.2	-176.4	-71.5	-174.9	176.4	-157	0	112.6	S143 G144 Q150 F151 F418 Y495 I498	S143-K147 PolarHBondContact O-N 3.21Å; G144-K147 PolarHBondContact O-N 3.49Å; K147-Q150 PolarHBondContact O-N 2.85Å; K147-F151 VanDerWaalsContact O-CB 3.28Å; K147-F151 WeakPolarHBondContact O-CB 3.47Å; K147-F151 PolarHBondContact O-N 3.36Å; K147-F418 HydrophobicContact CB-CD1 4.4Å; K147-F418 HydrophobicContact CB-CE1 3.54Å; K147-F418 HydrophobicContact CB-CZ 3.99Å; K147-Y495 PolarHBondContact NZ-O 2.99Å; K147-I498 HydrophobicContact CD-CB 4.47Å; K147-I498 PolarHBondContact NZ-O 3.08Å
148	A	95.7	Very high	92.6	Very high	1 Å²	1	44 Å²	44	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-43.5	173	0	0	0	0	0	111.2	L133 G144 Y152 T414 F418 L422	L133-A148 HydrophobicContact CD2-CB 4.09Å; G144-A148 WeakPolarHBondContact O-CB 3.39Å; G144-A148 PolarHBondContact O-N 3.37Å; A148-Y152 VanDerWaalsContact O-CB 3.3Å; A148-Y152 WeakPolarHBondContact O-CB 3.41Å; A148-Y152 PolarHBondContact O-N 3.24Å; A148-T414 HydrophobicContact CB-CG2 3.91Å; A148-F418 HydrophobicContact CB-CB 3.96Å; A148-F418 HydrophobicContact CB-CD1 4.29Å; A148-F418 HydrophobicContact CB-CD2 4.22Å; A148-F418 HydrophobicContact CB-CG 3.9Å; A148-L422 HydrophobicContact CB-CD1 3.84Å
149	F	95.1	Very high	93.4	Very high	47 Å²	47	44.7 Å²	44.7	21%	0.206	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-49.2	174.6	174.8	-95.7	0	0	0	112	L133 W139 E145 E146 Y152 N153	L133-F149 WeakPolarHBondContact O-CD2 3.32Å; L133-F149 WeakPolarHBondContact O-CE2 3.32Å; W139-F149 AromaticContact NE1-CG 3.96Å; E145-F149 VanDerWaalsContact O-CB 3.31Å; E145-F149 WeakPolarHBondContact O-CB 3.34Å; E145-F149 PolarHBondContact O-N 3.23Å; E146-F149 WeakPolarHBondContact O-CB 3.39Å; E146-F149 PolarHBondContact O-N 3.39Å; F149-Y152 PolarHBondContact O-N 3.07Å; F149-N153 WeakPolarHBondContact CD1-ND2 3.32Å; F149-N153 WeakPolarHBondContact CE1-ND2 3.48Å; F149-N153 WeakPolarHBondContact CE2-ND2 3.47Å; F149-N153 WeakPolarHBondContact CZ-ND2 3.27Å; F149-N153 WeakPolarHBondContact O-CB 3.22Å; F149-N153 PolarHBondContact O-N 2.97Å; F149-N153 PolarHBondContact O-ND2 3.2Å
150	Q	95.1	Very high	93.9	Very high	78 Å²	78	44.6 Å²	44.6	36%	0.364	25%	0.247	S	C	.	.	H	α-helix	trans	-63	-43.3	178.7	-71.7	173.4	-3	0	0	111.9	E146 K147 N153 S154 L500	E146-Q150 HydrophobicContact CG-CG 4.38Å; E146-Q150 WeakPolarHBondContact O-CB 3.42Å; E146-Q150 VanDerWaalsContact O-CG 3.31Å; E146-Q150 WeakPolarHBondContact O-CG 3.47Å; E146-Q150 PolarHBondContact O-N 3.34Å; E146-Q150 PolarHBondContact OE1-NE2 3.29Å; E146-Q150 VanDerWaalsContact OE1-NE2 3.16Å; K147-Q150 PolarHBondContact O-N 2.85Å; Q150-N153 PolarHBondContact O-N 2.99Å; Q150-S154 PolarHBondContact O-N 3.1Å; Q150-S154 PolarHBondContact O-OG 2.74Å; Q150-L500 HydrophobicContact CB-CD1 3.33Å; Q150-L500 HydrophobicContact CG-CD1 4.45Å
151	F	97.2	Very high	94.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-48.4	175.8	-178.8	-89.8	0	0	0	110.9	K147 N153 S154 C155 E413 T414 F417 F418 L500 F504 V508 C511	K147-F151 VanDerWaalsContact O-CB 3.28Å; K147-F151 WeakPolarHBondContact O-CB 3.47Å; K147-F151 PolarHBondContact O-N 3.36Å; F151-N153 VanDerWaalsContact C-N 3.32Å; F151-N153 PolarHBondContact O-N 3.41Å; F151-S154 PolarHBondContact O-N 3.04Å; F151-S154 PolarHBondContact O-OG 2.79Å; F151-C155 PolarHBondContact O-N 3.42Å; F151-E413 HydrophobicContact CE1-CB 4Å; F151-E413 HydrophobicContact CZ-CB 4.39Å; F151-T414 HydrophobicContact CD1-CG2 4.39Å; F151-T414 WeakPolarHBondContact CD1-OG1 3.02Å; F151-F417 AromaticContact CE1-CD2 3.78Å; F151-F417 HydrophobicContact CE1-CD2 3.78Å; F151-F417 HydrophobicContact CE1-CE2 4.22Å; F151-F417 AromaticContact CE2-CD2 3.9Å; F151-F417 HydrophobicContact CE2-CD2 3.9Å; F151-F417 HydrophobicContact CE2-CE2 4.09Å; F151-F417 AromaticContact CZ-CD2 3.42Å; F151-F417 HydrophobicContact CZ-CD2 3.42Å; F151-F417 VanDerWaalsContact CZ-CD2 3.42Å; F151-F417 AromaticContact CZ-CE2 3.52Å; F151-F417 HydrophobicContact CZ-CE2 3.52Å; F151-F418 HydrophobicContact CB-CD2 4.43Å; F151-F418 HydrophobicContact CB-CE2 3.53Å; F151-F418 HydrophobicContact CB-CZ 4.1Å; F151-F418 HydrophobicContact CD1-CE2 4.16Å; F151-F418 HydrophobicContact CD2-CE2 4.25Å; F151-F418 AromaticContact CG-CE2 3.71Å; F151-F418 HydrophobicContact CG-CE2 3.71Å; F151-L500 HydrophobicContact CB-CD1 4.41Å; F151-L500 HydrophobicContact CB-CD2 4.25Å; F151-L500 HydrophobicContact CD2-CD2 4.05Å; F151-F504 HydrophobicContact CE1-CE2 4.37Å; F151-F504 HydrophobicContact CE2-CE2 4.09Å; F151-F504 AromaticContact CZ-CE2 3.82Å; F151-F504 HydrophobicContact CZ-CE2 3.82Å; F151-F504 HydrophobicContact CZ-CZ 4.29Å; F151-V508 HydrophobicContact CE2-CG2 4.02Å; F151-V508 HydrophobicContact CZ-CG2 4.02Å; F151-C511 HydrophobicContact CE2-CB 4.5Å
152	Y	97.4	Very high	95.1	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-55.3	-45.9	176.1	175.7	-99.4	0	0	0	112	L133 E134 A148 F149 C155 M156 C410 V411	L133-Y152 HydrophobicContact CB-CD1 3.94Å; L133-Y152 HydrophobicContact CB-CD2 4.22Å; L133-Y152 HydrophobicContact CB-CE1 4.33Å; L133-Y152 HydrophobicContact CB-CG 3.88Å; L133-Y152 HydrophobicContact CD1-CD2 3.69Å; L133-Y152 HydrophobicContact CD1-CE2 4.27Å; L133-Y152 HydrophobicContact CD1-CG 4.01Å; L133-Y152 HydrophobicContact CG-CG 4.44Å; E134-Y152 HydrophobicContact CG-CE1 3.76Å; E134-Y152 PolarHBondContact OE1-OH 3.2Å; A148-Y152 VanDerWaalsContact O-CB 3.3Å; A148-Y152 WeakPolarHBondContact O-CB 3.41Å; A148-Y152 PolarHBondContact O-N 3.24Å; F149-Y152 PolarHBondContact O-N 3.07Å; Y152-C155 WeakPolarHBondContact O-CB 3.4Å; Y152-C155 PolarHBondContact O-N 3.48Å; Y152-M156 HydrophobicContact CD1-CG 4.19Å; Y152-M156 HydrophobicContact CE1-CG 3.7Å; Y152-M156 HydrophobicContact CE2-CG 4.06Å; Y152-M156 HydrophobicContact CE2-SD 4.4Å; Y152-M156 WeakPolarHBondContact O-CG 3.43Å; Y152-M156 PolarHBondContact O-N 2.93Å; Y152-C410 HydrophobicContact CD2-CB 3.68Å; Y152-C410 HydrophobicContact CE2-CB 3.63Å; Y152-V411 HydrophobicContact CE2-CG2 3.94Å
153	N	96.1	Very high	95.8	Very high	60 Å²	60	41.3 Å²	41.3	32%	0.321	23%	0.233	S	C	.	.	H	α-helix	trans	-66.7	-40.5	178.8	-73.3	-33	0	0	0	113	F149 Q150 F151 C155 M156 D157	F149-N153 WeakPolarHBondContact CD1-ND2 3.32Å; F149-N153 WeakPolarHBondContact CE1-ND2 3.48Å; F149-N153 WeakPolarHBondContact CE2-ND2 3.47Å; F149-N153 WeakPolarHBondContact CZ-ND2 3.27Å; F149-N153 WeakPolarHBondContact O-CB 3.22Å; F149-N153 PolarHBondContact O-N 2.97Å; F149-N153 PolarHBondContact O-ND2 3.2Å; Q150-N153 PolarHBondContact O-N 2.99Å; F151-N153 VanDerWaalsContact C-N 3.32Å; F151-N153 PolarHBondContact O-N 3.41Å; N153-C155 VanDerWaalsContact C-N 3.25Å; N153-C155 PolarHBondContact O-N 3.4Å; N153-M156 PolarHBondContact O-N 3.33Å; N153-D157 PolarHBondContact O-N 3.24Å
154	S	96.8	Very high	96	Very high	32 Å²	32	43 Å²	43	22%	0.224	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-32.1	174.3	68.3	0	0	0	0	112.2	Q150 F151	Q150-S154 PolarHBondContact O-N 3.1Å; Q150-S154 PolarHBondContact O-OG 2.74Å; F151-S154 PolarHBondContact O-N 3.04Å; F151-S154 PolarHBondContact O-OG 2.79Å
155	C	97.3	Very high	96.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.7	-40.9	168.3	-178.2	0	0	0	0	111.1	F151 Y152 N153 R406 C410 F504	F151-C155 PolarHBondContact O-N 3.42Å; Y152-C155 WeakPolarHBondContact O-CB 3.4Å; Y152-C155 PolarHBondContact O-N 3.48Å; N153-C155 VanDerWaalsContact C-N 3.25Å; N153-C155 PolarHBondContact O-N 3.4Å; C155-R406 PolarHBondContact O-NE 2.88Å; C155-R406 PolarHBondContact O-NH2 3.35Å; C155-C410 HydrophobicContact CB-CB 3.64Å; C155-C410 WeakPolarHBondContact CB-SG 3.49Å; C155-C410 WeakPolarHBondContact SG-CA 3.35Å; C155-C410 WeakPolarHBondContact SG-CB 3.31Å; C155-C410 CovalentContact SG-SG 2.04Å; C155-C410 PolarHBondContact SG-SG 2.7Å; C155-F504 VanDerWaalsContact CA-CE2 3.42Å; C155-F504 HydrophobicContact CB-CD2 4.12Å; C155-F504 HydrophobicContact CB-CE2 3.38Å; C155-F504 HydrophobicContact CB-CZ 3.63Å
156	M	97.3	Very high	96.2	Very high	57 Å²	57	44.6 Å²	44.6	28%	0.281	26%	0.262	S	S	.	.	H	α-helix	trans	-72.4	-27.6	-177.7	-73.2	-63.3	-71.2	0	0	114	Y152 N153 T158 R406 W407 C410	Y152-M156 HydrophobicContact CD1-CG 4.19Å; Y152-M156 HydrophobicContact CE1-CG 3.7Å; Y152-M156 HydrophobicContact CE2-CG 4.06Å; Y152-M156 HydrophobicContact CE2-SD 4.4Å; Y152-M156 WeakPolarHBondContact O-CG 3.43Å; Y152-M156 PolarHBondContact O-N 2.93Å; N153-M156 PolarHBondContact O-N 3.33Å; M156-T158 PolarHBondContact O-N 3.42Å; M156-R406 HydrophobicContact SD-CG 4.19Å; M156-W407 HydrophobicContact CE-CB 3.97Å; M156-W407 VanDerWaalsContact SD-CA 3.5Å; M156-W407 HydrophobicContact SD-CB 3.92Å; M156-C410 HydrophobicContact CG-CB 4.29Å; M156-C410 HydrophobicContact SD-CB 4.11Å; M156-C410 VanDerWaalsContact SD-SG 3.7Å
157	D	96.9	Very high	96.2	Very high	75 Å²	75	44.3 Å²	44.3	40%	0.401	27%	0.271	S	S	.	.			trans	-74.4	84.9	-178.3	-168.7	-13.2	0	0	0	112.7	N153 L159 A160 I161	N153-D157 PolarHBondContact O-N 3.24Å; D157-L159 VanDerWaalsContact C-N 3.28Å; D157-L159 PolarHBondContact O-N 3.16Å; D157-L159 PolarHBondContact OD1-N 2.83Å; D157-L159 VanDerWaalsContact OD1-N 3.11Å; D157-A160 HydrophobicContact CB-CB 4.21Å; D157-A160 VanDerWaalsContact CG-CB 3.46Å; D157-A160 PolarHBondContact OD1-N 3.02Å; D157-A160 WeakPolarHBondContact OD2-CB 3.12Å; D157-I161 WeakPolarHBondContact O-CD1 3.43Å; D157-I161 WeakPolarHBondContact O-CG1 3.37Å; D157-I161 PolarHBondContact O-N 2.85Å
158	T	96.4	Very high	96.2	Very high	62 Å²	62	44 Å²	44	38%	0.38	27%	0.271	S	S	.	.	H	α-helix	trans	-65.7	-30.9	176.1	52.5	0	0	0	0	112.5	M156 I161 E162	M156-T158 PolarHBondContact O-N 3.42Å; T158-I161 PolarHBondContact O-N 2.68Å; T158-E162 VanDerWaalsContact O-CG 3.31Å; T158-E162 WeakPolarHBondContact O-CG 3.37Å; T158-E162 PolarHBondContact O-N 3.1Å
159	L	97.6	Very high	96.2	Very high	139 Å²	139	43.9 Å²	43.9	73%	0.728	27%	0.27	S	S	*	.	H	α-helix	trans	-66.5	-43.9	-177.9	-66.8	175.8	0	0	0	110.7	D157 I161 E162 A163	D157-L159 VanDerWaalsContact C-N 3.28Å; D157-L159 PolarHBondContact O-N 3.16Å; D157-L159 PolarHBondContact OD1-N 2.83Å; D157-L159 VanDerWaalsContact OD1-N 3.11Å; L159-I161 VanDerWaalsContact C-N 3.31Å; L159-I161 PolarHBondContact O-N 3.31Å; L159-E162 PolarHBondContact O-N 2.85Å; L159-A163 VanDerWaalsContact O-CB 3.25Å; L159-A163 WeakPolarHBondContact O-CB 3.37Å; L159-A163 PolarHBondContact O-N 2.9Å
160	A	96.9	Very high	96.1	Very high	51 Å²	51	46.1 Å²	46.1	42%	0.421	28%	0.277	S	S	.	.	H	α-helix	trans	-62.9	-38.4	174.3	0	0	0	0	0	112.3	D157 A163 A164	D157-A160 HydrophobicContact CB-CB 4.21Å; D157-A160 VanDerWaalsContact CG-CB 3.46Å; D157-A160 PolarHBondContact OD1-N 3.02Å; D157-A160 WeakPolarHBondContact OD2-CB 3.12Å; A160-A163 PolarHBondContact O-N 3.17Å; A160-A164 WeakPolarHBondContact O-CB 3.38Å; A160-A164 PolarHBondContact O-N 3.41Å
161	I	97.3	Very high	96	Very high	10 Å²	10	46.5 Å²	46.5	5%	0.051	28%	0.279	C	S	.	.	H	α-helix	trans	-67.3	-46.8	178.6	-69.3	167.4	0	0	0	111.5	D157 T158 L159 A163 A164 G165 F504	D157-I161 WeakPolarHBondContact O-CD1 3.43Å; D157-I161 WeakPolarHBondContact O-CG1 3.37Å; D157-I161 PolarHBondContact O-N 2.85Å; T158-I161 PolarHBondContact O-N 2.68Å; L159-I161 VanDerWaalsContact C-N 3.31Å; L159-I161 PolarHBondContact O-N 3.31Å; I161-A163 VanDerWaalsContact C-N 3.32Å; I161-A163 PolarHBondContact O-N 3.44Å; I161-A164 PolarHBondContact O-N 3.33Å; I161-G165 PolarHBondContact O-N 3.16Å; I161-F504 HydrophobicContact CD1-CB 3.77Å; I161-F504 HydrophobicContact CD1-CD1 3.78Å; I161-F504 HydrophobicContact CD1-CG 3.88Å; I161-F504 HydrophobicContact CG1-CB 3.65Å; I161-F504 HydrophobicContact CG1-CD1 4.42Å; I161-F504 HydrophobicContact CG1-CG 4.31Å
162	E	97.6	Very high	95.9	Very high	77 Å²	77	46.9 Å²	46.9	36%	0.36	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-39.5	176.2	-64.1	-51.4	126.6	0	0	111.3	T158 L159 A164 G165 S379	T158-E162 VanDerWaalsContact O-CG 3.31Å; T158-E162 WeakPolarHBondContact O-CG 3.37Å; T158-E162 PolarHBondContact O-N 3.1Å; L159-E162 PolarHBondContact O-N 2.85Å; E162-A164 VanDerWaalsContact C-N 3.33Å; E162-A164 PolarHBondContact O-N 3.41Å; E162-G165 PolarHBondContact O-N 3.05Å; E162-S379 WeakPolarHBondContact OE1-CB 3.47Å; E162-S379 PolarHBondContact OE1-N 3.47Å; E162-S379 PolarHBondContact OE1-OG 2.93Å; E162-S379 WeakPolarHBondContact OE2-CB 3.49Å; E162-S379 PolarHBondContact OE2-N 3.28Å; E162-S379 PolarHBondContact OE2-OG 3.04Å
163	A	97.2	Very high	95.7	Very high	90 Å²	90	47 Å²	47	74%	0.744	28%	0.282	S	S	*	.	H	α-helix	trans	-65.4	-34.5	178.1	0	0	0	0	0	112.8	L159 A160 I161	L159-A163 VanDerWaalsContact O-CB 3.25Å; L159-A163 WeakPolarHBondContact O-CB 3.37Å; L159-A163 PolarHBondContact O-N 2.9Å; A160-A163 PolarHBondContact O-N 3.17Å; I161-A163 VanDerWaalsContact C-N 3.32Å; I161-A163 PolarHBondContact O-N 3.44Å
164	A	96.1	Very high	95.5	Very high	37 Å²	37	50.4 Å²	50.4	31%	0.306	30%	0.296	S	S	.	.	H	α-helix	trans	-70.8	-31.8	176.3	0	0	0	0	0	112.7	A160 I161 E162 T166 G167 P168	A160-A164 WeakPolarHBondContact O-CB 3.38Å; A160-A164 PolarHBondContact O-N 3.41Å; I161-A164 PolarHBondContact O-N 3.33Å; E162-A164 VanDerWaalsContact C-N 3.33Å; E162-A164 PolarHBondContact O-N 3.41Å; A164-T166 PolarHBondContact O-N 3.23Å; A164-G167 PolarHBondContact O-N 3.18Å; A164-G167 VanDerWaalsContact O-N 3.14Å; A164-P168 HydrophobicContact CB-CG 4.03Å; A164-P168 WeakPolarHBondContact O-CD 2.99Å
165	G	94.9	Very high	95.3	Very high	18 Å²	18	53.2 Å²	53.2	19%	0.186	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	-133.3	178.1	0	0	0	0	0	113.3	I161 E162 G167 D378	I161-G165 PolarHBondContact O-N 3.16Å; E162-G165 PolarHBondContact O-N 3.05Å; G165-G167 VanDerWaalsContact C-N 3.31Å; G165-G167 PolarHBondContact O-N 3.45Å; G165-D378 WeakPolarHBondContact CA-OD2 3.35Å
166	T	93.9	Very high	95	Very high	32 Å²	32	53.4 Å²	53.4	20%	0.196	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-6.7	179.6	61	0	0	0	0	114.7	A164 L169 R170 L261 F381	A164-T166 PolarHBondContact O-N 3.23Å; T166-L169 PolarHBondContact O-N 2.94Å; T166-R170 WeakPolarHBondContact O-CG 3.46Å; T166-R170 PolarHBondContact O-N 2.89Å; T166-R170 PolarHBondContact OG1-NE 3.04Å; T166-L261 HydrophobicContact CG2-CD2 4.3Å; T166-F381 HydrophobicContact CG2-CE2 3.69Å; T166-F381 HydrophobicContact CG2-CZ 3.87Å
167	G	93.9	Very high	94.6	Very high	38 Å²	38	51.9 Å²	51.9	39%	0.392	31%	0.306	S	S	.	.	H	α-helix	trans	-54	-55.3	-172.5	0	0	0	0	0	113.6	A164 G165 L169 R170 Q171	A164-G167 PolarHBondContact O-N 3.18Å; A164-G167 VanDerWaalsContact O-N 3.14Å; G165-G167 VanDerWaalsContact C-N 3.31Å; G165-G167 PolarHBondContact O-N 3.45Å; G167-L169 VanDerWaalsContact C-N 3.3Å; G167-L169 PolarHBondContact O-N 3.37Å; G167-R170 PolarHBondContact O-N 2.96Å; G167-Q171 PolarHBondContact O-N 3.2Å; G167-Q171 VanDerWaalsContact O-N 3.14Å
168	P	94.6	Very high	94.3	Very high	17 Å²	17	48.4 Å²	48.4	11%	0.11	29%	0.288	C	S	.	.	H	α-helix	trans	-58.8	-37.9	179.1	-27.1	36.1	0	0	0	113.7	A164 V172 S503 L505	A164-P168 HydrophobicContact CB-CG 4.03Å; A164-P168 WeakPolarHBondContact O-CD 2.99Å; P168-V172 PolarHBondContact O-N 3.19Å; P168-S503 WeakPolarHBondContact CG-OG 3.41Å; P168-L505 HydrophobicContact CB-CB 4.13Å; P168-L505 HydrophobicContact CB-CD2 3.7Å; P168-L505 HydrophobicContact CB-CG 4.45Å
169	L	94.9	Very high	93.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-72.1	-38.3	179	179.3	59.1	0	0	0	112	T166 G167 Q171 V172 I173 L261 V370 L373 L377 F381 L505	T166-L169 PolarHBondContact O-N 2.94Å; G167-L169 VanDerWaalsContact C-N 3.3Å; G167-L169 PolarHBondContact O-N 3.37Å; L169-Q171 VanDerWaalsContact C-N 3.3Å; L169-Q171 PolarHBondContact O-N 2.9Å; L169-V172 WeakPolarHBondContact O-CB 3.3Å; L169-V172 PolarHBondContact O-N 3.23Å; L169-I173 HydrophobicContact CD1-CD1 4.43Å; L169-I173 HydrophobicContact CD1-CG1 4.47Å; L169-I173 HydrophobicContact CG-CD1 4.1Å; L169-I173 WeakPolarHBondContact O-CG1 3.37Å; L169-I173 PolarHBondContact O-N 3.39Å; L169-L261 HydrophobicContact CD2-CD1 4.3Å; L169-L261 HydrophobicContact CD2-CD2 3.72Å; L169-L261 HydrophobicContact CD2-CG 4.47Å; L169-L261 HydrophobicContact CG-CD2 4.15Å; L169-V370 HydrophobicContact CD1-CG2 4.31Å; L169-V370 HydrophobicContact CD2-CG1 3.95Å; L169-V370 HydrophobicContact CD2-CG2 4Å; L169-L373 HydrophobicContact CD1-CD1 4Å; L169-L377 HydrophobicContact CB-CD2 4.05Å; L169-L377 HydrophobicContact CD2-CD1 3.5Å; L169-L377 HydrophobicContact CD2-CD2 4.47Å; L169-F381 HydrophobicContact CD2-CE1 4.2Å; L169-F381 HydrophobicContact CD2-CZ 4.39Å; L169-L505 HydrophobicContact CB-CD2 4.26Å
170	R	93.8	Very high	93.4	Very high	93 Å²	93	45.4 Å²	45.4	35%	0.351	26%	0.26	S	S	.	.	H	α-helix	trans	-60.2	-41.8	174.9	-73.6	175.5	-177.7	-102.4	-3	111.4	T166 G167 V172 I173 E174 L261	T166-R170 WeakPolarHBondContact O-CG 3.46Å; T166-R170 PolarHBondContact O-N 2.89Å; T166-R170 PolarHBondContact OG1-NE 3.04Å; G167-R170 PolarHBondContact O-N 2.96Å; R170-V172 VanDerWaalsContact C-N 3.34Å; R170-V172 PolarHBondContact O-N 3.35Å; R170-I173 PolarHBondContact O-N 2.92Å; R170-E174 WeakPolarHBondContact O-CG 3.08Å; R170-E174 PolarHBondContact O-N 3.37Å; R170-L261 PolarHBondContact NH2-O 3.3Å
171	Q	92.6	Very high	92.7	Very high	87 Å²	87	43.6 Å²	43.6	41%	0.407	24%	0.243	S	C	.	.	H	α-helix	trans	-58.4	-45.6	174.9	-175.4	-176.3	-8.6	0	0	111.6	G167 L169 I173 E174 E175	G167-Q171 PolarHBondContact O-N 3.2Å; G167-Q171 VanDerWaalsContact O-N 3.14Å; L169-Q171 VanDerWaalsContact C-N 3.3Å; L169-Q171 PolarHBondContact O-N 2.9Å; Q171-I173 VanDerWaalsContact C-N 3.33Å; Q171-I173 PolarHBondContact O-N 2.75Å; Q171-E174 PolarHBondContact O-N 3.28Å; Q171-E175 PolarHBondContact NE2-OE1 2.94Å; Q171-E175 WeakPolarHBondContact O-CG 3.44Å; Q171-E175 PolarHBondContact O-N 3.23Å
172	V	94.1	Very high	91.8	Very high	8 Å²	8	43.7 Å²	43.7	5%	0.048	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-43.2	175.6	165.3	0	0	0	0	111.8	P168 L169 R170 E174 E175 L176 Y201 L369 L373 L509	P168-V172 PolarHBondContact O-N 3.19Å; L169-V172 WeakPolarHBondContact O-CB 3.3Å; L169-V172 PolarHBondContact O-N 3.23Å; R170-V172 VanDerWaalsContact C-N 3.34Å; R170-V172 PolarHBondContact O-N 3.35Å; V172-E174 VanDerWaalsContact C-N 3.33Å; V172-E174 PolarHBondContact O-N 3.34Å; V172-E175 PolarHBondContact O-N 2.77Å; V172-L176 HydrophobicContact CG1-CD1 4.22Å; V172-L176 WeakPolarHBondContact O-CG 3.5Å; V172-L176 PolarHBondContact O-N 3.43Å; V172-Y201 HydrophobicContact CB-CE1 4.33Å; V172-Y201 HydrophobicContact CG1-CD1 4.22Å; V172-Y201 HydrophobicContact CG1-CE1 3.46Å; V172-Y201 VanDerWaalsContact CG1-CE1 3.46Å; V172-Y201 HydrophobicContact CG1-CE2 4.44Å; V172-Y201 HydrophobicContact CG2-CE1 3.95Å; V172-L369 HydrophobicContact CG1-CD2 3.71Å; V172-L373 HydrophobicContact CG1-CD1 4.35Å; V172-L509 HydrophobicContact CG2-CD1 3.8Å
173	I	94.1	Very high	90.6	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-39.6	178	-67.5	168.4	0	0	0	111	L169 R170 Q171 L176 G178 W179 L261 I366 V370	L169-I173 HydrophobicContact CD1-CD1 4.43Å; L169-I173 HydrophobicContact CD1-CG1 4.47Å; L169-I173 HydrophobicContact CG-CD1 4.1Å; L169-I173 WeakPolarHBondContact O-CG1 3.37Å; L169-I173 PolarHBondContact O-N 3.39Å; R170-I173 PolarHBondContact O-N 2.92Å; Q171-I173 VanDerWaalsContact C-N 3.33Å; Q171-I173 PolarHBondContact O-N 2.75Å; I173-L176 PolarHBondContact O-N 3.16Å; I173-G178 VanDerWaalsContact O-CA 3.28Å; I173-G178 WeakPolarHBondContact O-CA 3.31Å; I173-G178 PolarHBondContact O-N 2.95Å; I173-W179 HydrophobicContact CG2-CB 3.69Å; I173-L261 HydrophobicContact CD1-CD1 3.96Å; I173-L261 HydrophobicContact CD1-CD2 4.23Å; I173-I366 HydrophobicContact CD1-CG2 4.09Å; I173-I366 HydrophobicContact CG1-CG2 4.03Å; I173-I366 HydrophobicContact CG2-CD1 4.46Å; I173-I366 HydrophobicContact CG2-CG2 4.46Å; I173-V370 HydrophobicContact CD1-CG2 4.43Å
174	E	91.8	Very high	89.6	Confident	131 Å²	131	47.7 Å²	47.7	61%	0.612	26%	0.261	S	S	*	.	H	α-helix	trans	-64.4	-41.5	175.9	-72.4	174.6	178.1	0	0	112.2	R170 Q171 V172 L176 G177	R170-E174 WeakPolarHBondContact O-CG 3.08Å; R170-E174 PolarHBondContact O-N 3.37Å; Q171-E174 PolarHBondContact O-N 3.28Å; V172-E174 VanDerWaalsContact C-N 3.33Å; V172-E174 PolarHBondContact O-N 3.34Å; E174-L176 PolarHBondContact O-N 3.36Å; E174-G177 PolarHBondContact O-N 3Å
175	E	91.3	Very high	88.8	Confident	91 Å²	91	50.1 Å²	50.1	43%	0.425	26%	0.262	S	S	.	.	H	α-helix	trans	-60	-28.5	174.1	-72.7	175.5	-165.3	0	0	112.8	Q171 V172 G177 Y201	Q171-E175 PolarHBondContact NE2-OE1 2.94Å; Q171-E175 WeakPolarHBondContact O-CG 3.44Å; Q171-E175 PolarHBondContact O-N 3.23Å; V172-E175 PolarHBondContact O-N 2.77Å; E175-G177 VanDerWaalsContact C-N 3.27Å; E175-G177 PolarHBondContact O-N 3.11Å; E175-Y201 PolarHBondContact OE2-OH 3.24Å
176	L	92.3	Very high	87.8	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.021	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	9.8	176.1	-66.5	170.8	0	0	0	113.8	V172 I173 E174 T193 L196 L197 Y201 Q362 I366 L369	V172-L176 HydrophobicContact CG1-CD1 4.22Å; V172-L176 WeakPolarHBondContact O-CG 3.5Å; V172-L176 PolarHBondContact O-N 3.43Å; I173-L176 PolarHBondContact O-N 3.16Å; E174-L176 PolarHBondContact O-N 3.36Å; L176-T193 HydrophobicContact CB-CG2 4.32Å; L176-T193 HydrophobicContact CD2-CG2 4.17Å; L176-L196 HydrophobicContact CD2-CB 3.61Å; L176-L196 HydrophobicContact CD2-CD1 4.08Å; L176-L197 HydrophobicContact CD1-CD2 3.86Å; L176-L197 HydrophobicContact CD2-CD2 4.38Å; L176-L197 HydrophobicContact CD2-CG 4.36Å; L176-Y201 HydrophobicContact CD1-CE2 4.28Å; L176-Y201 HydrophobicContact CD2-CE2 3.95Å; L176-Y201 HydrophobicContact CG-CE2 4.29Å; L176-Q362 PolarHBondContact O-NE2 3.24Å; L176-I366 HydrophobicContact CB-CD1 3.99Å; L176-I366 HydrophobicContact CD1-CD1 3.76Å; L176-L369 HydrophobicContact CD1-CD2 3.35Å
177	G	88.9	Confident	86.7	Confident	25 Å²	25	57.2 Å²	57.2	26%	0.258	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	6.9	178.9	0	0	0	0	0	114.5	E174 E175 T186	E174-G177 PolarHBondContact O-N 3Å; E175-G177 VanDerWaalsContact C-N 3.27Å; E175-G177 PolarHBondContact O-N 3.11Å; G177-T186 PolarHBondContact O-N 2.97Å; G177-T186 PolarHBondContact O-OG1 2.91Å
178	G	89.6	Confident	86	Confident	3 Å²	3	56.1 Å²	56.1	3%	0.031	29%	0.292	C	S	.	.			trans	81.6	-177.2	178.4	0	0	0	0	0	113.7	I173 K184 Q362	I173-G178 VanDerWaalsContact O-CA 3.28Å; I173-G178 WeakPolarHBondContact O-CA 3.31Å; I173-G178 PolarHBondContact O-N 2.95Å; G178-K184 WeakPolarHBondContact CA-O 3.3Å; G178-Q362 PolarHBondContact O-NE2 2.88Å
179	W	89.3	Confident	85.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-142.6	128.9	-176.8	-171.9	32	0	0	0	110.9	I173 I181 S182 L261 S363 I366 L367	I173-W179 HydrophobicContact CG2-CB 3.69Å; W179-I181 HydrophobicContact CD2-CB 3.77Å; W179-I181 HydrophobicContact CD2-CG1 4.27Å; W179-I181 HydrophobicContact CE3-CB 4.05Å; W179-I181 HydrophobicContact CG-CB 4.34Å; W179-I181 HydrophobicContact CH2-CB 4.05Å; W179-I181 HydrophobicContact CH2-CD1 3.91Å; W179-I181 HydrophobicContact CH2-CG1 4.47Å; W179-I181 HydrophobicContact CH2-CG2 4.08Å; W179-I181 HydrophobicContact CZ2-CB 3.83Å; W179-I181 HydrophobicContact CZ2-CD1 3.2Å; W179-I181 HydrophobicContact CZ2-CG1 3.82Å; W179-I181 HydrophobicContact CZ2-CG2 4.28Å; W179-I181 HydrophobicContact CZ3-CB 4.14Å; W179-I181 HydrophobicContact CZ3-CG2 4.21Å; W179-I181 PolarHBondContact O-N 3.18Å; W179-I181 VanDerWaalsContact O-N 3.08Å; W179-S182 VanDerWaalsContact CE3-OG 3.22Å; W179-S182 CarbonylContact O-C 3.59Å; W179-S182 VanDerWaalsContact O-C 3.27Å; W179-S182 PolarHBondContact O-N 3.43Å; W179-S182 VanDerWaalsContact O-N 3.11Å; W179-L261 HydrophobicContact CE3-CD1 4.36Å; W179-L261 HydrophobicContact CZ3-CB 4.31Å; W179-L261 HydrophobicContact CZ3-CD1 3.73Å; W179-S363 PolarHBondContact NE1-OG 3.29Å; W179-I366 HydrophobicContact CB-CG2 4.47Å; W179-I366 HydrophobicContact CD2-CB 4.46Å; W179-I366 HydrophobicContact CD2-CG2 3.86Å; W179-I366 HydrophobicContact CE3-CG2 4.01Å; W179-I366 HydrophobicContact CG-CB 4.41Å; W179-I366 HydrophobicContact CG-CG1 4.46Å; W179-I366 HydrophobicContact CG-CG2 4.1Å; W179-L367 HydrophobicContact CH2-CD2 3.69Å; W179-L367 HydrophobicContact CH2-CG 4.18Å; W179-L367 HydrophobicContact CZ2-CD1 4.35Å; W179-L367 HydrophobicContact CZ2-CD2 3.89Å; W179-L367 HydrophobicContact CZ2-CG 3.84Å
180	R	85.5	Confident	85.7	Confident	137 Å²	137	60 Å²	60	52%	0.517	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.7	-176.4	-169.3	177.9	-174.7	-171.7	-0.6	113.2	W185 D359	R180-W185 HydrophobicContact CB-CB 4.49Å; R180-W185 HydrophobicContact CB-CD2 3.99Å; R180-W185 HydrophobicContact CB-CE3 3.89Å; R180-W185 HydrophobicContact CB-CG 4.26Å; R180-W185 HydrophobicContact CB-CZ3 4.49Å; R180-W185 HydrophobicContact CG-CE3 3.93Å; R180-W185 HydrophobicContact CG-CZ3 4.33Å; R180-D359 IonicContact CZ-OD2 3.52Å; R180-D359 IonicContact NH1-OD2 3.62Å; R180-D359 PolarHBondContact NH1-OD2 3.09Å
181	I	82.7	Confident	85.7	Confident	13 Å²	13	57.8 Å²	57.8	7%	0.067	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-39.7	-179.7	-58.8	-171.4	0	0	0	111.6	W179 G263 V268 H271	W179-I181 HydrophobicContact CD2-CB 3.77Å; W179-I181 HydrophobicContact CD2-CG1 4.27Å; W179-I181 HydrophobicContact CE3-CB 4.05Å; W179-I181 HydrophobicContact CG-CB 4.34Å; W179-I181 HydrophobicContact CH2-CB 4.05Å; W179-I181 HydrophobicContact CH2-CD1 3.91Å; W179-I181 HydrophobicContact CH2-CG1 4.47Å; W179-I181 HydrophobicContact CH2-CG2 4.08Å; W179-I181 HydrophobicContact CZ2-CB 3.83Å; W179-I181 HydrophobicContact CZ2-CD1 3.2Å; W179-I181 HydrophobicContact CZ2-CG1 3.82Å; W179-I181 HydrophobicContact CZ2-CG2 4.28Å; W179-I181 HydrophobicContact CZ3-CB 4.14Å; W179-I181 HydrophobicContact CZ3-CG2 4.21Å; W179-I181 PolarHBondContact O-N 3.18Å; W179-I181 VanDerWaalsContact O-N 3.08Å; I181-G263 WeakPolarHBondContact O-CA 3.31Å; I181-V268 HydrophobicContact CG2-CG2 3.41Å; I181-V268 VanDerWaalsContact CG2-CG2 3.41Å; I181-H271 HydrophobicContact CD1-CB 3.22Å; I181-H271 HydrophobicContact CG1-CB 4.29Å
182	S	78.1	Confident	85.8	Confident	12 Å²	12	60.3 Å²	60.3	8%	0.084	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-134	109.8	-177.7	71.3	0	0	0	0	111.2	W179 L261	W179-S182 VanDerWaalsContact CE3-OG 3.22Å; W179-S182 CarbonylContact O-C 3.59Å; W179-S182 VanDerWaalsContact O-C 3.27Å; W179-S182 PolarHBondContact O-N 3.43Å; W179-S182 VanDerWaalsContact O-N 3.11Å; S182-L261 VanDerWaalsContact CB-O 3.3Å; S182-L261 WeakPolarHBondContact CB-O 3.49Å
183	G	73.7	Confident	85.8	Confident	60 Å²	60	60.2 Å²	60.2	62%	0.619	31%	0.311	S	S	*	.	S	Bend	trans	93.3	-159.1	172	0	0	0	0	0	114.8
184	K	74.9	Confident	85.9	Confident	192 Å²	192	60 Å²	60	84%	0.835	31%	0.311	S	S	*	.			trans	-81.9	131.3	-179.2	-66.1	-179.9	-178.3	176.1	0	109.2	G178	G178-K184 WeakPolarHBondContact CA-O 3.3Å
185	W	79.8	Confident	86.1	Confident	88 Å²	88	58.1 Å²	58.1	33%	0.333	30%	0.298	S	S	.	.			trans	-118.9	129.9	179.1	178.2	51.6	0	0	0	110.3	R180 D359	R180-W185 HydrophobicContact CB-CB 4.49Å; R180-W185 HydrophobicContact CB-CD2 3.99Å; R180-W185 HydrophobicContact CB-CE3 3.89Å; R180-W185 HydrophobicContact CB-CG 4.26Å; R180-W185 HydrophobicContact CB-CZ3 4.49Å; R180-W185 HydrophobicContact CG-CE3 3.93Å; R180-W185 HydrophobicContact CG-CZ3 4.33Å; W185-D359 HydrophobicContact CH2-CB 3.73Å; W185-D359 HydrophobicContact CZ2-CB 4.03Å; W185-D359 HydrophobicContact CZ3-CB 4.35Å
186	T	74	Confident	86.3	Confident	93 Å²	93	55.9 Å²	55.9	57%	0.571	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-101.6	157.6	170.7	52.7	0	0	0	0	109.6	G177 L188	G177-T186 PolarHBondContact O-N 2.97Å; G177-T186 PolarHBondContact O-OG1 2.91Å; T186-L188 PolarHBondContact O-N 2.04Å
187	S	71.1	Confident	86.5	Confident	106 Å²	106	55.7 Å²	55.7	74%	0.741	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-55.1	134.5	-177.8	58.5	0	0	0	0	111.5	N189	S187-N189 PolarHBondContact O-N 3.25Å; S187-N189 VanDerWaalsContact O-N 3.15Å
188	L	78.9	Confident	86.8	Confident	15 Å²	15	54.5 Å²	54.5	8%	0.079	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-56.7	118.7	-175.5	174.2	60	0	0	0	111.6	T186 F190 L354 R358 L361 Q362 M365	T186-L188 PolarHBondContact O-N 2.04Å; L188-F190 HydrophobicContact CD1-CB 4.45Å; L188-F190 HydrophobicContact CD2-CB 4.18Å; L188-F190 HydrophobicContact CG-CB 4.13Å; L188-L354 HydrophobicContact CD2-CD2 4.2Å; L188-R358 HydrophobicContact CB-CB 4.34Å; L188-R358 HydrophobicContact CD2-CB 4.12Å; L188-R358 VanDerWaalsContact CD2-O 3.27Å; L188-R358 WeakPolarHBondContact CD2-O 3.01Å; L188-L361 HydrophobicContact CD2-CB 4.35Å; L188-L361 HydrophobicContact CD2-CD2 4.32Å; L188-Q362 HydrophobicContact CD1-CB 4.19Å; L188-Q362 HydrophobicContact CD2-CB 4.47Å; L188-M365 HydrophobicContact CD1-CE 3.94Å
189	N	89.4	Confident	87	Confident	89 Å²	89	55 Å²	55	48%	0.476	28%	0.278	S	S	.	.			trans	-99	90.3	158	-172.6	-30.4	0	0	0	108.8	S187 R192 T193	S187-N189 PolarHBondContact O-N 3.25Å; S187-N189 VanDerWaalsContact O-N 3.15Å; N189-R192 HydrophobicContact CB-CB 4.01Å; N189-R192 VanDerWaalsContact CG-CB 3.42Å; N189-R192 PolarHBondContact O-N 2.9Å; N189-R192 VanDerWaalsContact OD1-CB 3.27Å; N189-R192 WeakPolarHBondContact OD1-CB 3.42Å; N189-R192 PolarHBondContact OD1-N 3.21Å; N189-R192 VanDerWaalsContact OD1-N 3.12Å; N189-T193 WeakPolarHBondContact O-CB 3.43Å; N189-T193 PolarHBondContact O-N 2.94Å; N189-T193 PolarHBondContact O-OG1 3.1Å
190	F	93.5	Very high	87.1	Confident	8 Å²	8	58.1 Å²	58.1	4%	0.035	29%	0.293	C	S	.	.	H	α-helix	trans	-57.5	-55.2	-172.2	172.1	-100.6	0	0	0	112.8	L188 R192 T193 L194 F206 I314 V350 L354 L361 M365	L188-F190 HydrophobicContact CD1-CB 4.45Å; L188-F190 HydrophobicContact CD2-CB 4.18Å; L188-F190 HydrophobicContact CG-CB 4.13Å; F190-R192 VanDerWaalsContact C-N 3.32Å; F190-R192 PolarHBondContact O-N 2.87Å; F190-T193 PolarHBondContact O-N 3.09Å; F190-T193 VanDerWaalsContact O-N 3.08Å; F190-L194 HydrophobicContact CE1-CD2 3.99Å; F190-L194 HydrophobicContact CZ-CD2 3.91Å; F190-L194 WeakPolarHBondContact O-CB 3.28Å; F190-L194 PolarHBondContact O-N 2.78Å; F190-F206 HydrophobicContact CE2-CD2 4.34Å; F190-F206 AromaticContact CE2-CE2 3.51Å; F190-F206 HydrophobicContact CE2-CE2 3.51Å; F190-F206 AromaticContact CE2-CZ 3.92Å; F190-F206 HydrophobicContact CE2-CZ 3.92Å; F190-F206 HydrophobicContact CZ-CD2 4.15Å; F190-F206 AromaticContact CZ-CE2 3.77Å; F190-F206 HydrophobicContact CZ-CE2 3.77Å; F190-F206 HydrophobicContact CZ-CZ 4.41Å; F190-I314 HydrophobicContact CE1-CD1 3.73Å; F190-I314 HydrophobicContact CZ-CD1 3.92Å; F190-V350 HydrophobicContact CD1-CG1 4.44Å; F190-V350 HydrophobicContact CE1-CG1 3.71Å; F190-V350 HydrophobicContact CE2-CG1 4.02Å; F190-V350 HydrophobicContact CZ-CG1 3.46Å; F190-V350 VanDerWaalsContact CZ-CG1 3.46Å; F190-L354 HydrophobicContact CB-CD2 3.54Å; F190-L354 HydrophobicContact CD1-CD1 4.11Å; F190-L354 HydrophobicContact CD1-CD2 4.43Å; F190-L354 HydrophobicContact CD2-CD2 4.18Å; F190-L354 HydrophobicContact CG-CD1 4.3Å; F190-L354 HydrophobicContact CG-CD2 3.8Å; F190-L361 HydrophobicContact CD2-CD2 3.5Å; F190-L361 VanDerWaalsContact CD2-CD2 3.5Å; F190-L361 HydrophobicContact CD2-CG 4.05Å; F190-L361 HydrophobicContact CE2-CD1 4.38Å; F190-L361 HydrophobicContact CE2-CD2 3.66Å; F190-L361 HydrophobicContact CE2-CG 4.04Å; F190-L361 HydrophobicContact CG-CD2 4.34Å; F190-M365 HydrophobicContact CD2-CE 3.86Å; F190-M365 HydrophobicContact CD2-SD 4.05Å; F190-M365 HydrophobicContact CE2-CE 4.31Å; F190-M365 HydrophobicContact CE2-SD 3.95Å
191	N	93.4	Very high	87.4	Confident	48 Å²	48	52 Å²	52	26%	0.257	27%	0.27	S	S	.	.	H	α-helix	trans	-63.2	-36.8	-177.7	-79.5	-53.9	0	0	0	112.3	R195 D315	N191-R195 WeakPolarHBondContact O-CB 3.4Å; N191-R195 PolarHBondContact O-N 3.4Å; N191-D315 HydrophobicContact CB-CB 4.04Å; N191-D315 PolarHBondContact OD1-N 2.87Å
192	R	94.5	Very high	87.8	Confident	139 Å²	139	52.6 Å²	52.6	53%	0.525	28%	0.279	S	S	.	.	H	α-helix	trans	-62.7	-45.5	172.7	179.1	-179.4	172.4	-177.9	-2.5	111.5	N189 F190 L196	N189-R192 HydrophobicContact CB-CB 4.01Å; N189-R192 VanDerWaalsContact CG-CB 3.42Å; N189-R192 PolarHBondContact O-N 2.9Å; N189-R192 VanDerWaalsContact OD1-CB 3.27Å; N189-R192 WeakPolarHBondContact OD1-CB 3.42Å; N189-R192 PolarHBondContact OD1-N 3.21Å; N189-R192 VanDerWaalsContact OD1-N 3.12Å; F190-R192 VanDerWaalsContact C-N 3.32Å; F190-R192 PolarHBondContact O-N 2.87Å; R192-L196 HydrophobicContact CG-CD1 4.23Å; R192-L196 WeakPolarHBondContact O-CG 3.36Å; R192-L196 PolarHBondContact O-N 3.08Å
193	T	95.4	Very high	88.6	Confident	6 Å²	6	53 Å²	53	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-49.8	-178.2	-52.9	0	0	0	0	110.6	L176 N189 F190 R195 L196 L197 M365	L176-T193 HydrophobicContact CB-CG2 4.32Å; L176-T193 HydrophobicContact CD2-CG2 4.17Å; N189-T193 WeakPolarHBondContact O-CB 3.43Å; N189-T193 PolarHBondContact O-N 2.94Å; N189-T193 PolarHBondContact O-OG1 3.1Å; F190-T193 PolarHBondContact O-N 3.09Å; F190-T193 VanDerWaalsContact O-N 3.08Å; T193-R195 VanDerWaalsContact C-N 3.34Å; T193-R195 PolarHBondContact O-N 3.01Å; T193-L196 PolarHBondContact O-N 2.98Å; T193-L196 VanDerWaalsContact O-N 3.14Å; T193-L197 HydrophobicContact CG2-CD1 4.1Å; T193-L197 WeakPolarHBondContact O-CG 3.49Å; T193-L197 PolarHBondContact O-N 3.38Å; T193-M365 HydrophobicContact CG2-CE 3.77Å; T193-M365 HydrophobicContact CG2-SD 4.2Å
194	L	96.5	Very high	89.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-46.2	176.6	-179.6	60.1	0	0	0	111.7	F190 L196 L197 M198 P205 F206 F207 I314 M365	F190-L194 HydrophobicContact CE1-CD2 3.99Å; F190-L194 HydrophobicContact CZ-CD2 3.91Å; F190-L194 WeakPolarHBondContact O-CB 3.28Å; F190-L194 PolarHBondContact O-N 2.78Å; L194-L196 VanDerWaalsContact C-N 3.32Å; L194-L196 PolarHBondContact O-N 3.12Å; L194-L197 WeakPolarHBondContact O-CB 3.19Å; L194-L197 PolarHBondContact O-N 3Å; L194-M198 HydrophobicContact CD1-CG 4.18Å; L194-M198 HydrophobicContact CD1-SD 3.91Å; L194-M198 HydrophobicContact CD2-SD 4.49Å; L194-M198 HydrophobicContact CG-SD 3.8Å; L194-M198 VanDerWaalsContact O-CG 3.28Å; L194-M198 WeakPolarHBondContact O-CG 3.33Å; L194-M198 PolarHBondContact O-N 3.29Å; L194-P205 HydrophobicContact CD1-CG 3.83Å; L194-F206 HydrophobicContact CD1-CD2 4.01Å; L194-F206 HydrophobicContact CD1-CE2 4.35Å; L194-F206 HydrophobicContact CD2-CD2 4.49Å; L194-F207 HydrophobicContact CD2-CE1 4.25Å; L194-I314 HydrophobicContact CD2-CD1 3.8Å; L194-I314 HydrophobicContact CD2-CG2 4.05Å; L194-M365 HydrophobicContact CB-SD 4.49Å
195	R	96.1	Very high	90.6	Very high	91 Å²	91	43.3 Å²	43.3	34%	0.343	22%	0.221	S	C	.	.	H	α-helix	trans	-59	-41.7	176.2	-177	176	65.9	-176.1	2.3	112.5	N191 T193 S199 S318 A322	N191-R195 WeakPolarHBondContact O-CB 3.4Å; N191-R195 PolarHBondContact O-N 3.4Å; T193-R195 VanDerWaalsContact C-N 3.34Å; T193-R195 PolarHBondContact O-N 3.01Å; R195-S199 VanDerWaalsContact O-CB 3.3Å; R195-S199 WeakPolarHBondContact O-CB 3.34Å; R195-S199 PolarHBondContact O-N 2.78Å; R195-S199 PolarHBondContact O-OG 2.73Å; R195-S318 WeakPolarHBondContact CD-O 3.46Å; R195-S318 WeakPolarHBondContact CD-OG 3.25Å; R195-S318 PolarHBondContact NH1-OG 2.9Å; R195-A322 HydrophobicContact CG-CB 3.5Å
196	L	95.4	Very high	91.4	Very high	43 Å²	43	39.2 Å²	39.2	23%	0.225	21%	0.206	C	C	.	.	H	α-helix	trans	-67.5	-44.7	176.7	-72.9	171.6	0	0	0	111.5	L176 R192 T193 L194 M198 S199 Q200 Y201	L176-L196 HydrophobicContact CD2-CB 3.61Å; L176-L196 HydrophobicContact CD2-CD1 4.08Å; R192-L196 HydrophobicContact CG-CD1 4.23Å; R192-L196 WeakPolarHBondContact O-CG 3.36Å; R192-L196 PolarHBondContact O-N 3.08Å; T193-L196 PolarHBondContact O-N 2.98Å; T193-L196 VanDerWaalsContact O-N 3.14Å; L194-L196 VanDerWaalsContact C-N 3.32Å; L194-L196 PolarHBondContact O-N 3.12Å; L196-M198 VanDerWaalsContact C-N 3.33Å; L196-M198 PolarHBondContact O-N 3.39Å; L196-S199 PolarHBondContact O-N 3.35Å; L196-Q200 HydrophobicContact CD2-CG 3.92Å; L196-Q200 VanDerWaalsContact O-CB 3.3Å; L196-Q200 WeakPolarHBondContact O-CB 3.33Å; L196-Q200 PolarHBondContact O-N 3.07Å; L196-Y201 WeakPolarHBondContact O-CD2 3.14Å
197	L	95.6	Very high	92.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-53.6	-49.7	174.9	-70.6	169.9	0	0	0	112	L176 T193 L194 Y201 G202 H203 P205 M365 L369	L176-L197 HydrophobicContact CD1-CD2 3.86Å; L176-L197 HydrophobicContact CD2-CD2 4.38Å; L176-L197 HydrophobicContact CD2-CG 4.36Å; T193-L197 HydrophobicContact CG2-CD1 4.1Å; T193-L197 WeakPolarHBondContact O-CG 3.49Å; T193-L197 PolarHBondContact O-N 3.38Å; L194-L197 WeakPolarHBondContact O-CB 3.19Å; L194-L197 PolarHBondContact O-N 3Å; L197-Y201 HydrophobicContact CD2-CD2 4.38Å; L197-Y201 CarbonylContact O-C 3.4Å; L197-Y201 WeakPolarHBondContact O-CB 3.39Å; L197-Y201 PolarHBondContact O-N 3.44Å; L197-G202 PolarHBondContact O-N 2.84Å; L197-H203 CarbonylContact C-O 3.15Å; L197-H203 VanDerWaalsContact C-O 3.3Å; L197-H203 HydrophobicContact CB-CB 4.5Å; L197-H203 PolarHBondContact O-N 2.84Å; L197-P205 HydrophobicContact CD1-CG 4.4Å; L197-M365 HydrophobicContact CD1-CB 3.7Å; L197-M365 HydrophobicContact CD1-CG 4.03Å; L197-M365 HydrophobicContact CD1-SD 3.88Å; L197-L369 HydrophobicContact CD2-CB 3.9Å; L197-L369 HydrophobicContact CD2-CD1 3.96Å; L197-L369 HydrophobicContact CD2-CD2 3.69Å; L197-L369 HydrophobicContact CD2-CG 4.06Å
198	M	94.9	Very high	93.6	Very high	1 Å²	1	34 Å²	34	1%	0.005	16%	0.16	C	C	.	.	I	π-helix	trans	-68.5	-46	-178.6	-64	167.4	68.2	0	0	112.2	L194 L196 H203 F204 F207 A209 C319 T323 R516	L194-M198 HydrophobicContact CD1-CG 4.18Å; L194-M198 HydrophobicContact CD1-SD 3.91Å; L194-M198 HydrophobicContact CD2-SD 4.49Å; L194-M198 HydrophobicContact CG-SD 3.8Å; L194-M198 VanDerWaalsContact O-CG 3.28Å; L194-M198 WeakPolarHBondContact O-CG 3.33Å; L194-M198 PolarHBondContact O-N 3.29Å; L196-M198 VanDerWaalsContact C-N 3.33Å; L196-M198 PolarHBondContact O-N 3.39Å; M198-H203 WeakPolarHBondContact CA-O 3.3Å; M198-H203 PolarHBondContact N-O 3.26Å; M198-F204 HydrophobicContact CB-CD1 4.32Å; M198-F204 HydrophobicContact CB-CE1 3.96Å; M198-F204 HydrophobicContact CE-CD1 3.99Å; M198-F204 HydrophobicContact CE-CE1 3.71Å; M198-F204 HydrophobicContact CG-CD1 3.74Å; M198-F204 HydrophobicContact CG-CE1 3.85Å; M198-F207 HydrophobicContact CE-CE2 3.55Å; M198-F207 HydrophobicContact CE-CZ 3.65Å; M198-F207 HydrophobicContact SD-CE2 4.36Å; M198-F207 HydrophobicContact SD-CZ 3.91Å; M198-A209 HydrophobicContact CE-CB 4.43Å; M198-C319 HydrophobicContact CE-CB 4.09Å; M198-C319 HydrophobicContact SD-CB 3.95Å; M198-T323 WeakPolarHBondContact CB-OG1 3.46Å; M198-R516 PolarHBondContact O-NH1 3.32Å; M198-R516 PolarHBondContact O-NH2 2.96Å
199	S	93.3	Very high	94.5	Very high	13 Å²	13	33.6 Å²	33.6	9%	0.091	16%	0.158	C	C	.	.	I	π-helix	trans	-82.6	-41	-172.3	61.2	0	0	0	0	114.4	R195 L196 A322	R195-S199 VanDerWaalsContact O-CB 3.3Å; R195-S199 WeakPolarHBondContact O-CB 3.34Å; R195-S199 PolarHBondContact O-N 2.78Å; R195-S199 PolarHBondContact O-OG 2.73Å; L196-S199 PolarHBondContact O-N 3.35Å; S199-A322 VanDerWaalsContact CB-O 3.29Å; S199-A322 WeakPolarHBondContact CB-O 3.05Å
200	Q	91.8	Very high	94.7	Very high	65 Å²	65	32.7 Å²	32.7	30%	0.304	15%	0.149	S	C	.	.	I	π-helix	trans	-95.9	-28.7	-172.6	-58.4	-57	-46.4	0	0	113.4	L196 R513	L196-Q200 HydrophobicContact CD2-CG 3.92Å; L196-Q200 VanDerWaalsContact O-CB 3.3Å; L196-Q200 WeakPolarHBondContact O-CB 3.33Å; L196-Q200 PolarHBondContact O-N 3.07Å; Q200-R513 VanDerWaalsContact OE1-CD 3.32Å
201	Y	92.7	Very high	94.5	Very high	10 Å²	10	33.3 Å²	33.3	4%	0.039	15%	0.152	C	C	.	.	I	π-helix	trans	-117.9	-11.1	-171.6	-55	-75.8	0	0	0	113.3	V172 E175 L176 L196 L197 H203 L369 L509	V172-Y201 HydrophobicContact CB-CE1 4.33Å; V172-Y201 HydrophobicContact CG1-CD1 4.22Å; V172-Y201 HydrophobicContact CG1-CE1 3.46Å; V172-Y201 VanDerWaalsContact CG1-CE1 3.46Å; V172-Y201 HydrophobicContact CG1-CE2 4.44Å; V172-Y201 HydrophobicContact CG2-CE1 3.95Å; E175-Y201 PolarHBondContact OE2-OH 3.24Å; L176-Y201 HydrophobicContact CD1-CE2 4.28Å; L176-Y201 HydrophobicContact CD2-CE2 3.95Å; L176-Y201 HydrophobicContact CG-CE2 4.29Å; L196-Y201 WeakPolarHBondContact O-CD2 3.14Å; L197-Y201 HydrophobicContact CD2-CD2 4.38Å; L197-Y201 CarbonylContact O-C 3.4Å; L197-Y201 WeakPolarHBondContact O-CB 3.39Å; L197-Y201 PolarHBondContact O-N 3.44Å; Y201-H203 PolarHBondContact O-N 3.41Å; Y201-L369 HydrophobicContact CD1-CD1 4.17Å; Y201-L369 HydrophobicContact CG-CD1 3.85Å; Y201-L369 HydrophobicContact CG-CD2 4.48Å; Y201-L509 HydrophobicContact CD1-CD1 4.38Å; Y201-L509 HydrophobicContact CD1-CD2 3.51Å; Y201-L509 HydrophobicContact CE1-CD1 3.95Å; Y201-L509 HydrophobicContact CE1-CD2 3.93Å
202	G	90.8	Very high	94.1	Very high	24 Å²	24	31.2 Å²	31.2	25%	0.247	14%	0.142	C	C	.	.			trans	62.5	23.3	-176.5	0	0	0	0	0	114.2	L197 F204 R516	L197-G202 PolarHBondContact O-N 2.84Å; G202-F204 VanDerWaalsContact O-CD2 3.27Å; G202-F204 WeakPolarHBondContact O-CD2 3.31Å; G202-F204 WeakPolarHBondContact O-CE2 3.33Å; G202-R516 VanDerWaalsContact CA-NH1 3.31Å
203	H	94.1	Very high	93.5	Very high	21 Å²	21	27.5 Å²	27.5	10%	0.097	14%	0.136	C	C	.	.			trans	-98.7	134.6	179.3	-177.9	65.9	0	0	0	110.8	L197 M198 Y201 G368 L369 T372	L197-H203 CarbonylContact C-O 3.15Å; L197-H203 VanDerWaalsContact C-O 3.3Å; L197-H203 HydrophobicContact CB-CB 4.5Å; L197-H203 PolarHBondContact O-N 2.84Å; M198-H203 WeakPolarHBondContact CA-O 3.3Å; M198-H203 PolarHBondContact N-O 3.26Å; Y201-H203 PolarHBondContact O-N 3.41Å; H203-G368 PolarHBondContact CE1-O 3.17Å; H203-L369 HydrophobicContact CB-CD1 4.05Å; H203-T372 PolarHBondContact ND1-OG1 2.94Å
204	F	95.6	Very high	93	Very high	36 Å²	36	29.4 Å²	29.4	16%	0.158	14%	0.144	C	C	.	.			trans	-131.1	79.3	-168.4	-72.3	-82.3	0	0	0	110.5	M198 G202 F206 F207 A209 T323	M198-F204 HydrophobicContact CB-CD1 4.32Å; M198-F204 HydrophobicContact CB-CE1 3.96Å; M198-F204 HydrophobicContact CE-CD1 3.99Å; M198-F204 HydrophobicContact CE-CE1 3.71Å; M198-F204 HydrophobicContact CG-CD1 3.74Å; M198-F204 HydrophobicContact CG-CE1 3.85Å; G202-F204 VanDerWaalsContact O-CD2 3.27Å; G202-F204 WeakPolarHBondContact O-CD2 3.31Å; G202-F204 WeakPolarHBondContact O-CE2 3.33Å; F204-F206 PolarHBondContact O-N 3.34Å; F204-F207 VanDerWaalsContact CB-O 3.3Å; F204-F207 WeakPolarHBondContact CB-O 3.5Å; F204-F207 WeakPolarHBondContact CD1-O 3.47Å; F204-A209 HydrophobicContact CE1-CB 4.04Å; F204-T323 HydrophobicContact CE1-CG2 4.2Å; F204-T323 HydrophobicContact CZ-CG2 4.11Å
205	P	95.4	Very high	92.1	Very high	12 Å²	12	31.7 Å²	31.7	8%	0.078	16%	0.159	C	C	.	.	S	Bend	trans	-69.7	-26.4	-168.1	22	-30.4	0	0	0	114.7	L194 L197 M365	L194-P205 HydrophobicContact CD1-CG 3.83Å; L197-P205 HydrophobicContact CD1-CG 4.4Å; P205-M365 HydrophobicContact CB-CG 4.4Å; P205-M365 HydrophobicContact CG-CG 4.02Å
206	F	96.9	Very high	91.3	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	16%	0.162	C	C	.	.	S	Bend	trans	-118.1	-26.2	-172.1	-54.8	-71.4	0	0	0	114.5	F190 L194 F204 P228 I278 L282 Y342 M346 V350 L361 H364 M365	F190-F206 HydrophobicContact CE2-CD2 4.34Å; F190-F206 AromaticContact CE2-CE2 3.51Å; F190-F206 HydrophobicContact CE2-CE2 3.51Å; F190-F206 AromaticContact CE2-CZ 3.92Å; F190-F206 HydrophobicContact CE2-CZ 3.92Å; F190-F206 HydrophobicContact CZ-CD2 4.15Å; F190-F206 AromaticContact CZ-CE2 3.77Å; F190-F206 HydrophobicContact CZ-CE2 3.77Å; F190-F206 HydrophobicContact CZ-CZ 4.41Å; L194-F206 HydrophobicContact CD1-CD2 4.01Å; L194-F206 HydrophobicContact CD1-CE2 4.35Å; L194-F206 HydrophobicContact CD2-CD2 4.49Å; F204-F206 PolarHBondContact O-N 3.34Å; F206-P228 WeakPolarHBondContact O-CD 3.33Å; F206-I278 HydrophobicContact CE1-CG2 4.48Å; F206-L282 HydrophobicContact CD1-CD1 4.15Å; F206-Y342 PolarHBondContact O-OH 3.05Å; F206-M346 HydrophobicContact CB-CG 4.1Å; F206-M346 HydrophobicContact CB-SD 3.83Å; F206-M346 HydrophobicContact CG-SD 4.46Å; F206-V350 HydrophobicContact CD1-CG2 4.08Å; F206-V350 HydrophobicContact CE1-CG2 4.19Å; F206-V350 HydrophobicContact CG-CG2 4.45Å; F206-L361 HydrophobicContact CE1-CD1 3.81Å; F206-L361 HydrophobicContact CZ-CD1 3.5Å; F206-L361 HydrophobicContact CZ-CG 4.36Å; F206-H364 AromaticContact CE1-CD2 3.63Å; F206-H364 AromaticContact CE1-NE2 3.99Å; F206-H364 AromaticContact CZ-CD2 3.85Å; F206-M365 HydrophobicContact CE2-CG 3.86Å; F206-M365 HydrophobicContact CE2-SD 3.95Å; F206-M365 HydrophobicContact CZ-CG 3.95Å; F206-M365 HydrophobicContact CZ-SD 4.45Å
207	F	96.8	Very high	90.1	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	19%	0.185	C	C	.	.			trans	-161.9	150.1	-179.7	62	-89.8	0	0	0	108.9	L194 M198 F204 A209 I225 D226 I314 W316 L343 M346	L194-F207 HydrophobicContact CD2-CE1 4.25Å; M198-F207 HydrophobicContact CE-CE2 3.55Å; M198-F207 HydrophobicContact CE-CZ 3.65Å; M198-F207 HydrophobicContact SD-CE2 4.36Å; M198-F207 HydrophobicContact SD-CZ 3.91Å; F204-F207 VanDerWaalsContact CB-O 3.3Å; F204-F207 WeakPolarHBondContact CB-O 3.5Å; F204-F207 WeakPolarHBondContact CD1-O 3.47Å; F207-A209 HydrophobicContact CE2-CB 4.38Å; F207-I225 HydrophobicContact CB-CG2 4.42Å; F207-I225 HydrophobicContact CD2-CG2 4.05Å; F207-D226 CarbonylContact C-O 3.54Å; F207-D226 WeakPolarHBondContact CA-O 3.47Å; F207-I314 HydrophobicContact CE1-CD1 4.27Å; F207-I314 HydrophobicContact CE1-CG1 4.04Å; F207-I314 HydrophobicContact CE1-CG2 3.96Å; F207-I314 HydrophobicContact CZ-CG2 4.04Å; F207-W316 AromaticContact CD1-CH2 3.92Å; F207-W316 HydrophobicContact CD1-CH2 3.92Å; F207-W316 HydrophobicContact CD1-CZ3 4.23Å; F207-W316 HydrophobicContact CD2-CH2 4.06Å; F207-W316 AromaticContact CD2-CZ3 3.74Å; F207-W316 HydrophobicContact CD2-CZ3 3.74Å; F207-W316 AromaticContact CE1-CH2 3.91Å; F207-W316 HydrophobicContact CE1-CH2 3.91Å; F207-W316 AromaticContact CE1-CZ3 3.93Å; F207-W316 HydrophobicContact CE1-CZ3 3.93Å; F207-W316 HydrophobicContact CE2-CE3 4.22Å; F207-W316 HydrophobicContact CE2-CH2 4.06Å; F207-W316 AromaticContact CE2-CZ3 3.4Å; F207-W316 HydrophobicContact CE2-CZ3 3.4Å; F207-W316 HydrophobicContact CG-CH2 4.01Å; F207-W316 HydrophobicContact CG-CZ3 4.16Å; F207-W316 HydrophobicContact CZ-CE3 4.12Å; F207-W316 AromaticContact CZ-CH2 3.99Å; F207-W316 HydrophobicContact CZ-CH2 3.99Å; F207-W316 AromaticContact CZ-CZ3 3.5Å; F207-W316 HydrophobicContact CZ-CZ3 3.5Å; F207-L343 HydrophobicContact CB-CD2 4.03Å; F207-M346 HydrophobicContact CD1-CE 3.92Å
208	R	95.7	Very high	89	Confident	89 Å²	89	37.6 Å²	37.6	34%	0.336	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	143.7	171.1	-69.3	179.9	73.7	164	7.4	110.7	Y210 I225 D226 Q227 E229	R208-Y210 HydrophobicContact CB-CD1 4.38Å; R208-I225 WeakPolarHBondContact O-CA 3.3Å; R208-D226 PolarHBondContact N-O 3.48Å; R208-D226 PolarHBondContact O-N 3Å; R208-D226 VanDerWaalsContact O-N 3.08Å; R208-Q227 WeakPolarHBondContact CD-O 3.36Å; R208-Q227 VanDerWaalsContact CG-O 3.26Å; R208-Q227 WeakPolarHBondContact CG-O 3.3Å; R208-E229 HydrophobicContact CG-CG 4.22Å; R208-E229 IonicContact CZ-OE1 3.22Å; R208-E229 IonicContact NE-OE1 2.79Å; R208-E229 IonicContact NH1-OE1 3.37Å; R208-E229 PolarHBondContact NH1-OE1 3.16Å; R208-E229 IonicContact NH2-OE1 2.79Å; R208-E229 PolarHBondContact NH2-OE1 3.26Å; R208-E229 VanDerWaalsContact NH2-OE1 3.07Å
209	A	95.9	Very high	88.2	Confident	6 Å²	6	40.3 Å²	40.3	5%	0.05	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.2	164.8	0	0	0	0	0	109.3	M198 F204 F207 Q224 I225 L320 F324	M198-A209 HydrophobicContact CE-CB 4.43Å; F204-A209 HydrophobicContact CE1-CB 4.04Å; F207-A209 HydrophobicContact CE2-CB 4.38Å; A209-Q224 WeakPolarHBondContact CA-O 3.3Å; A209-I225 HydrophobicContact CB-CD1 3.6Å; A209-L320 HydrophobicContact CB-CD2 3.86Å; A209-F324 HydrophobicContact CB-CE2 4.11Å; A209-F324 HydrophobicContact CB-CZ 3.94Å
210	Y	93.7	Very high	87.7	Confident	70 Å²	70	43.2 Å²	43.2	28%	0.275	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	162	-179.9	62.6	-84.2	0	0	0	111.3	R208 Q224 D226 H338	R208-Y210 HydrophobicContact CB-CD1 4.38Å; Y210-Q224 HydrophobicContact CD2-CB 4.38Å; Y210-Q224 HydrophobicContact CE1-CB 4.11Å; Y210-Q224 HydrophobicContact CE2-CB 3.93Å; Y210-Q224 HydrophobicContact CE2-CG 4.27Å; Y210-Q224 PolarHBondContact N-O 3.22Å; Y210-Q224 PolarHBondContact O-N 3.3Å; Y210-Q224 PolarHBondContact OH-OE1 3.3Å; Y210-D226 HydrophobicContact CE1-CB 4.18Å; Y210-H338 PolarHBondContact OH-NE2 3.13Å
211	L	89.9	Confident	87.4	Confident	22 Å²	22	43 Å²	43	12%	0.115	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.4	172.1	-72	165.7	0	0	0	109	I223 F324 M327 V520 F523	L211-I223 HydrophobicContact CD2-CG1 3.66Å; L211-F324 HydrophobicContact CD1-CD1 4.05Å; L211-F324 HydrophobicContact CD1-CE1 4.35Å; L211-F324 HydrophobicContact CG-CD1 3.97Å; L211-F324 HydrophobicContact CG-CE1 3.83Å; L211-M327 HydrophobicContact CD1-CE 4.34Å; L211-M327 HydrophobicContact CD2-CE 4.09Å; L211-V520 HydrophobicContact CD1-CG2 4.21Å; L211-F523 HydrophobicContact CB-CD1 4.19Å; L211-F523 HydrophobicContact CB-CD2 3.73Å; L211-F523 HydrophobicContact CB-CE1 3.7Å; L211-F523 HydrophobicContact CB-CE2 3.36Å; L211-F523 HydrophobicContact CB-CG 4.14Å; L211-F523 HydrophobicContact CB-CZ 3.28Å; L211-F523 HydrophobicContact CD1-CB 3.99Å; L211-F523 HydrophobicContact CD1-CD2 3.43Å; L211-F523 VanDerWaalsContact CD1-CD2 3.43Å; L211-F523 HydrophobicContact CD1-CE2 3.93Å; L211-F523 HydrophobicContact CD1-CG 3.8Å; L211-F523 HydrophobicContact CG-CD2 4.19Å; L211-F523 HydrophobicContact CG-CE2 4.28Å; L211-F523 HydrophobicContact CG-CG 4.48Å; L211-F523 HydrophobicContact CG-CZ 4.49Å; L211-F523 WeakPolarHBondContact O-CZ 3.29Å
212	G	85.7	Confident	87.3	Confident	3 Å²	3	43.3 Å²	43.3	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	168.7	178.9	0	0	0	0	0	111.9	V222	G212-V222 PolarHBondContact N-O 2.98Å; G212-V222 PolarHBondContact O-N 3.45Å
213	P	82.1	Confident	87.5	Confident	62 Å²	62	42.4 Å²	42.4	40%	0.403	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	140.4	172.5	28.9	-32.6	0	0	0	110.7	H219 Q224	P213-H219 HydrophobicContact CB-CB 3.99Å; P213-Q224 PolarHBondContact O-NE2 3.21Å
214	H	83.3	Confident	87.6	Confident	45 Å²	45	41.9 Å²	41.9	21%	0.208	24%	0.242	C	C	.	.			trans	-59.2	139.5	170.9	-171.5	-87.7	0	0	0	109.7	A216 H219 T220 V222	H214-A216 VanDerWaalsContact C-N 3.26Å; H214-A216 PolarHBondContact ND1-N 2.99Å; H214-A216 VanDerWaalsContact ND1-N 3.12Å; H214-A216 PolarHBondContact ND1-O 3.2Å; H214-A216 PolarHBondContact O-N 3.45Å; H214-H219 WeakPolarHBondContact O-CA 3.36Å; H214-H219 PolarHBondContact O-ND1 2.98Å; H214-T220 VanDerWaalsContact CB-O 3.24Å; H214-T220 WeakPolarHBondContact CB-O 3.25Å; H214-T220 PolarHBondContact N-O 3.11Å; H214-V222 HydrophobicContact CB-CG1 4.14Å
215	P	78.8	Confident	87.7	Confident	50 Å²	50	40.1 Å²	40.1	33%	0.325	24%	0.235	S	C	.	.	S	Bend	trans	-63.9	-29.9	-176.1	23.7	-35.3	0	0	0	113.4	H219 F299	P215-H219 PolarHBondContact O-CE1 3.42Å; P215-F299 HydrophobicContact CB-CB 4.31Å; P215-F299 HydrophobicContact CB-CD1 3.75Å; P215-F299 HydrophobicContact CB-CD2 3.95Å; P215-F299 HydrophobicContact CB-CE1 3.96Å; P215-F299 HydrophobicContact CB-CE2 4.16Å; P215-F299 HydrophobicContact CB-CG 3.74Å; P215-F299 HydrophobicContact CB-CZ 4.16Å; P215-F299 HydrophobicContact CG-CB 3.91Å; P215-F299 HydrophobicContact CG-CD1 3.82Å; P215-F299 HydrophobicContact CG-CD2 4.48Å; P215-F299 HydrophobicContact CG-CE1 4.45Å; P215-F299 HydrophobicContact CG-CG 3.83Å
216	A	79.7	Confident	87.6	Confident	50 Å²	50	40.9 Å²	40.9	41%	0.413	24%	0.238	S	C	.	.	S	Bend	trans	-91.2	144	173.3	0	0	0	0	0	111.8	H214 H219	H214-A216 VanDerWaalsContact C-N 3.26Å; H214-A216 PolarHBondContact ND1-N 2.99Å; H214-A216 VanDerWaalsContact ND1-N 3.12Å; H214-A216 PolarHBondContact ND1-O 3.2Å; H214-A216 PolarHBondContact O-N 3.45Å; A216-H219 PolarHBondContact O-N 2.9Å
217	S	70.5	Confident	87.4	Confident	101 Å²	101	42.9 Å²	42.9	71%	0.706	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	134.7	167.4	-178.8	0	0	0	0	109.9
218	P	72.3	Confident	87.1	Confident	106 Å²	106	43.1 Å²	43.1	69%	0.688	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	cis	-91.6	26	16.1	35.9	-35.6	0	0	0	115.6	T220	P218-T220 VanDerWaalsContact C-N 3.27Å; P218-T220 HydrophobicContact CG-CG2 3.96Å; P218-T220 PolarHBondContact O-N 3.23Å
219	H	78.3	Confident	86.7	Confident	59 Å²	59	45.1 Å²	45.1	27%	0.273	26%	0.262	S	S	.	.			trans	59	34.1	174.4	-59.5	-56.2	0	0	0	114.5	P213 H214 P215 A216	P213-H219 HydrophobicContact CB-CB 3.99Å; H214-H219 WeakPolarHBondContact O-CA 3.36Å; H214-H219 PolarHBondContact O-ND1 2.98Å; P215-H219 PolarHBondContact O-CE1 3.42Å; A216-H219 PolarHBondContact O-N 2.9Å
220	T	82.4	Confident	86.2	Confident	73 Å²	73	47 Å²	47	45%	0.448	27%	0.269	S	S	.	.			trans	-58.1	150.9	179.9	46.6	0	0	0	0	112.2	H214 P218 V222	H214-T220 VanDerWaalsContact CB-O 3.24Å; H214-T220 WeakPolarHBondContact CB-O 3.25Å; H214-T220 PolarHBondContact N-O 3.11Å; P218-T220 VanDerWaalsContact C-N 3.27Å; P218-T220 HydrophobicContact CG-CG2 3.96Å; P218-T220 PolarHBondContact O-N 3.23Å; T220-V222 PolarHBondContact O-N 2.99Å
221	P	84.7	Confident	85.2	Confident	62 Å²	62	47.4 Å²	47.4	40%	0.403	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	129.9	173.5	-31.6	40.8	0	0	0	113.6	F523	P221-F523 HydrophobicContact CB-CB 4.37Å; P221-F523 HydrophobicContact CB-CD1 3.43Å; P221-F523 VanDerWaalsContact CB-CD1 3.43Å; P221-F523 HydrophobicContact CB-CE1 3.99Å; P221-F523 HydrophobicContact CB-CG 4.35Å; P221-F523 HydrophobicContact CG-CD1 3.53Å; P221-F523 HydrophobicContact CG-CE1 4.22Å
222	V	90.4	Very high	84.4	Confident	15 Å²	15	46.7 Å²	46.7	9%	0.091	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	145	173.7	66.1	0	0	0	0	110.7	G212 H214 T220 Q224 V336	G212-V222 PolarHBondContact N-O 2.98Å; G212-V222 PolarHBondContact O-N 3.45Å; H214-V222 HydrophobicContact CB-CG1 4.14Å; T220-V222 PolarHBondContact O-N 2.99Å; V222-Q224 HydrophobicContact CG1-CG 4.12Å; V222-Q224 PolarHBondContact O-N 3.19Å; V222-V336 HydrophobicContact CB-CG2 4.43Å; V222-V336 HydrophobicContact CG1-CG2 3.61Å; V222-V336 HydrophobicContact CG2-CG2 3.94Å
223	I	95.1	Very high	83.3	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.026	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	129.1	171.2	-65.2	170.9	0	0	0	108.1	L211 I225 L320 F324 M327 L329 L335 V336	L211-I223 HydrophobicContact CD2-CG1 3.66Å; I223-I225 HydrophobicContact CG2-CD1 4.07Å; I223-L320 HydrophobicContact CG2-CD2 4.43Å; I223-F324 HydrophobicContact CB-CE2 4.41Å; I223-F324 HydrophobicContact CD1-CD2 3.6Å; I223-F324 HydrophobicContact CD1-CE2 3.8Å; I223-F324 HydrophobicContact CD1-CG 4.25Å; I223-F324 HydrophobicContact CG1-CD2 4.08Å; I223-F324 HydrophobicContact CG1-CE2 3.89Å; I223-F324 HydrophobicContact CG1-CZ 4.21Å; I223-F324 HydrophobicContact CG2-CE2 3.64Å; I223-F324 HydrophobicContact CG2-CZ 3.93Å; I223-M327 HydrophobicContact CD1-SD 4.32Å; I223-L329 HydrophobicContact CD1-CD1 4.04Å; I223-L329 HydrophobicContact CD1-CD2 3.81Å; I223-L335 HydrophobicContact CB-CB 4.35Å; I223-L335 HydrophobicContact CG2-CB 4.48Å; I223-L335 WeakPolarHBondContact O-CA 2.96Å; I223-L335 WeakPolarHBondContact O-CB 3.46Å; I223-V336 PolarHBondContact O-N 3.04Å
224	Q	95.8	Very high	82.4	Confident	10 Å²	10	48.1 Å²	48.1	5%	0.047	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.3	177.9	-49.3	-162.6	13	0	0	110	A209 Y210 P213 V222 V336 H338	A209-Q224 WeakPolarHBondContact CA-O 3.3Å; Y210-Q224 HydrophobicContact CD2-CB 4.38Å; Y210-Q224 HydrophobicContact CE1-CB 4.11Å; Y210-Q224 HydrophobicContact CE2-CB 3.93Å; Y210-Q224 HydrophobicContact CE2-CG 4.27Å; Y210-Q224 PolarHBondContact N-O 3.22Å; Y210-Q224 PolarHBondContact O-N 3.3Å; Y210-Q224 PolarHBondContact OH-OE1 3.3Å; P213-Q224 PolarHBondContact O-NE2 3.21Å; V222-Q224 HydrophobicContact CG1-CG 4.12Å; V222-Q224 PolarHBondContact O-N 3.19Å; Q224-V336 CarbonylContact C-O 3.44Å; Q224-V336 VanDerWaalsContact CA-O 3.32Å; Q224-V336 WeakPolarHBondContact CA-O 3.23Å; Q224-V336 HydrophobicContact CB-CB 4.38Å; Q224-V336 HydrophobicContact CG-CB 4.05Å; Q224-V336 HydrophobicContact CG-CG2 4.45Å; Q224-H338 PolarHBondContact OE1-CE1 3.16Å; Q224-H338 VanDerWaalsContact OE1-CE1 3.31Å; Q224-H338 PolarHBondContact OE1-NE2 2.72Å
225	I	97.4	Very high	81.3	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124	177.4	-50.9	-61.6	0	0	0	108.7	F207 R208 A209 I223 L307 W316 L320 L335 V336 V337 H338 L343	F207-I225 HydrophobicContact CB-CG2 4.42Å; F207-I225 HydrophobicContact CD2-CG2 4.05Å; R208-I225 WeakPolarHBondContact O-CA 3.3Å; A209-I225 HydrophobicContact CB-CD1 3.6Å; I223-I225 HydrophobicContact CG2-CD1 4.07Å; I225-L307 HydrophobicContact CG1-CD2 4.3Å; I225-W316 HydrophobicContact CD1-CZ3 4.45Å; I225-W316 HydrophobicContact CG2-CH2 4.27Å; I225-W316 HydrophobicContact CG2-CZ3 4.15Å; I225-L320 HydrophobicContact CD1-CD2 3.84Å; I225-L335 HydrophobicContact CG1-CD1 4.04Å; I225-V336 PolarHBondContact N-O 3.12Å; I225-V337 HydrophobicContact CB-CG2 4.43Å; I225-H338 PolarHBondContact O-CD2 3.39Å; I225-H338 PolarHBondContact O-N 3Å; I225-L343 HydrophobicContact CB-CD1 4.49Å; I225-L343 HydrophobicContact CG2-CD1 3.73Å; I225-L343 HydrophobicContact CG2-CD2 4.14Å
226	D	94.6	Very high	80.2	Confident	28 Å²	28	55.3 Å²	55.3	15%	0.15	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	173	-178.9	-154.2	-2.7	0	0	0	111	F207 R208 Y210 R292 H338	F207-D226 CarbonylContact C-O 3.54Å; F207-D226 WeakPolarHBondContact CA-O 3.47Å; R208-D226 PolarHBondContact N-O 3.48Å; R208-D226 PolarHBondContact O-N 3Å; R208-D226 VanDerWaalsContact O-N 3.08Å; Y210-D226 HydrophobicContact CE1-CB 4.18Å; D226-R292 IonicContact OD1-NH1 3.54Å; D226-H338 HydrophobicContact CB-CB 4.07Å; D226-H338 VanDerWaalsContact OD1-CB 3.23Å; D226-H338 WeakPolarHBondContact OD1-CB 3.36Å; D226-H338 IonicContact OD1-CG 3.13Å; D226-H338 IonicContact OD2-CG 3.05Å
227	Q	91.8	Very high	79	Confident	43 Å²	43	60.8 Å²	60.8	20%	0.201	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-53	153	170.9	60.5	-177.5	80	0	0	112.5	R208 L286 Y342	R208-Q227 WeakPolarHBondContact CD-O 3.36Å; R208-Q227 VanDerWaalsContact CG-O 3.26Å; R208-Q227 WeakPolarHBondContact CG-O 3.3Å; Q227-L286 HydrophobicContact CB-CD2 3.44Å; Q227-L286 VanDerWaalsContact CB-CD2 3.44Å; Q227-L286 HydrophobicContact CG-CD2 4.15Å; Q227-Y342 HydrophobicContact CB-CE1 4.38Å
228	P	91.9	Very high	78.7	Confident	7 Å²	7	58 Å²	58	5%	0.045	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-65.6	162.1	178.7	28.2	-33.8	0	0	0	111.2	F206 F230 Y342	F206-P228 WeakPolarHBondContact O-CD 3.33Å; P228-F230 HydrophobicContact CG-CE1 4.38Å; P228-F230 HydrophobicContact CG-CE2 4Å; P228-F230 HydrophobicContact CG-CZ 3.79Å; P228-Y342 VanDerWaalsContact CD-CZ 3.45Å; P228-Y342 WeakPolarHBondContact CD-OH 3.27Å; P228-Y342 WeakPolarHBondContact CG-OH 3.47Å
229	E	86.7	Confident	78.3	Confident	130 Å²	130	59.3 Å²	59.3	61%	0.607	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-79.8	128.8	165.7	-59.4	-167.6	157.4	0	0	108.7	R208	R208-E229 HydrophobicContact CG-CG 4.22Å; R208-E229 IonicContact CZ-OE1 3.22Å; R208-E229 IonicContact NE-OE1 2.79Å; R208-E229 IonicContact NH1-OE1 3.37Å; R208-E229 PolarHBondContact NH1-OE1 3.16Å; R208-E229 IonicContact NH2-OE1 2.79Å; R208-E229 PolarHBondContact NH2-OE1 3.26Å; R208-E229 VanDerWaalsContact NH2-OE1 3.07Å
230	F	84.3	Confident	77.8	Confident	46 Å²	46	64.7 Å²	64.7	20%	0.202	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-94.8	130.2	174.9	-63.7	-88.6	0	0	0	108.9	P228 V232 T279 L282 F283 L286	P228-F230 HydrophobicContact CG-CE1 4.38Å; P228-F230 HydrophobicContact CG-CE2 4Å; P228-F230 HydrophobicContact CG-CZ 3.79Å; F230-V232 PolarHBondContact O-N 2.88Å; F230-V232 VanDerWaalsContact O-N 3.07Å; F230-T279 HydrophobicContact CD1-CG2 3.65Å; F230-T279 HydrophobicContact CE1-CG2 3.98Å; F230-L282 HydrophobicContact CE1-CB 4.25Å; F230-L282 HydrophobicContact CZ-CB 4.29Å; F230-F283 HydrophobicContact CD2-CD2 4.49Å; F230-F283 HydrophobicContact CE1-CB 4.09Å; F230-F283 HydrophobicContact CE1-CD2 4.42Å; F230-F283 HydrophobicContact CE2-CD2 4.38Å; F230-F283 HydrophobicContact CZ-CB 4.31Å; F230-F283 HydrophobicContact CZ-CD2 4.33Å; F230-L286 HydrophobicContact CD2-CD1 4.38Å; F230-L286 HydrophobicContact CE2-CD1 3.5Å; F230-L286 HydrophobicContact CE2-CD2 4.24Å; F230-L286 HydrophobicContact CE2-CG 4.36Å; F230-L286 HydrophobicContact CZ-CD1 3.84Å; F230-L286 HydrophobicContact CZ-CD2 4.38Å; F230-L286 HydrophobicContact CZ-CG 4.4Å
231	D	73.8	Confident	77.5	Confident	78 Å²	78	68.4 Å²	68.4	42%	0.417	34%	0.338	S	S	.	.	S	Bend	trans	-64	-13.7	178.9	-65.7	-56.5	0	0	0	113.4	Y250	D231-Y250 HydrophobicContact CB-CE2 3.92Å; D231-Y250 WeakPolarHBondContact CB-OH 3.38Å; D231-Y250 PolarHBondContact OD2-OH 3.37Å
232	V	72.6	Confident	77.2	Confident	7 Å²	7	67.5 Å²	67.5	4%	0.042	33%	0.329	C	S	.	.	S	Bend	trans	-117.6	127.1	-176.6	-179.4	0	0	0	0	109.3	F230 L234 I246 Y250	F230-V232 PolarHBondContact O-N 2.88Å; F230-V232 VanDerWaalsContact O-N 3.07Å; V232-L234 HydrophobicContact CB-CD2 4.42Å; V232-L234 HydrophobicContact CB-CG 4.43Å; V232-L234 HydrophobicContact CG1-CD2 3.62Å; V232-L234 HydrophobicContact CG1-CG 4.1Å; V232-L234 PolarHBondContact O-N 2.91Å; V232-I246 HydrophobicContact CB-CG2 4.4Å; V232-I246 HydrophobicContact CG1-CG2 3.04Å; V232-Y250 HydrophobicContact CG2-CD1 4Å; V232-Y250 HydrophobicContact CG2-CD2 3.74Å; V232-Y250 HydrophobicContact CG2-CE1 4.37Å; V232-Y250 HydrophobicContact CG2-CE2 4.18Å; V232-Y250 HydrophobicContact CG2-CG 3.68Å
233	P	63.9	Low	76.7	Confident	71 Å²	71	69.5 Å²	69.5	46%	0.461	34%	0.336	S	S	.	.			trans	-73.2	98.3	176	29.8	-32.2	0	0	0	109.3
234	L	61.8	Low	76.2	Confident	25 Å²	25	72.2 Å²	72.2	13%	0.131	36%	0.359	C	S	.	.			trans	-98.5	111.7	176.5	-60.9	178	0	0	0	108.8	V232 Y243 I246 F247 F283	V232-L234 HydrophobicContact CB-CD2 4.42Å; V232-L234 HydrophobicContact CB-CG 4.43Å; V232-L234 HydrophobicContact CG1-CD2 3.62Å; V232-L234 HydrophobicContact CG1-CG 4.1Å; V232-L234 PolarHBondContact O-N 2.91Å; L234-Y243 HydrophobicContact CB-CE2 4.26Å; L234-Y243 HydrophobicContact CD1-CE2 3.77Å; L234-Y243 HydrophobicContact CD2-CD2 3.59Å; L234-Y243 HydrophobicContact CD2-CE2 3.34Å; L234-Y243 HydrophobicContact CG-CE2 3.95Å; L234-I246 HydrophobicContact CD2-CG2 4.37Å; L234-F247 HydrophobicContact CD1-CZ 4.08Å; L234-F283 HydrophobicContact CB-CD2 4.21Å; L234-F283 HydrophobicContact CB-CE1 4.17Å; L234-F283 HydrophobicContact CB-CE2 3.46Å; L234-F283 VanDerWaalsContact CB-CE2 3.46Å; L234-F283 HydrophobicContact CB-CZ 3.43Å; L234-F283 VanDerWaalsContact CB-CZ 3.43Å; L234-F283 HydrophobicContact CD1-CD1 4.12Å; L234-F283 HydrophobicContact CD1-CD2 3.68Å; L234-F283 HydrophobicContact CD1-CE1 4.24Å; L234-F283 HydrophobicContact CD1-CE2 3.83Å; L234-F283 HydrophobicContact CD1-CG 3.84Å; L234-F283 HydrophobicContact CD1-CZ 4.11Å; L234-F283 HydrophobicContact CG-CE2 4.26Å; L234-F283 HydrophobicContact CG-CZ 4.42Å
235	K	61.4	Low	75.8	Confident	127 Å²	127	75.4 Å²	75.4	55%	0.552	37%	0.373	S	S	*	.			trans	-94.3	135.2	168.1	-66.5	-174.9	178.4	-176.8	0	108.5	D237 Q238	K235-D237 PolarHBondContact O-N 3.11Å; K235-Q238 HydrophobicContact CB-CG 3.99Å; K235-Q238 WeakPolarHBondContact O-CB 3.28Å; K235-Q238 PolarHBondContact O-N 2.86Å; K235-Q238 VanDerWaalsContact O-N 3.16Å
236	Q	54	Low	75.4	Confident	118 Å²	118	75.4 Å²	75.4	55%	0.551	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.1	-179.6	-77.7	-178.3	-22.6	0	0	113.2
237	D	56.4	Low	75.1	Confident	165 Å²	165	75.3 Å²	75.3	88%	0.882	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	6.8	-179.8	-53.9	-35.1	0	0	0	113.9	K235	K235-D237 PolarHBondContact O-N 3.11Å
238	Q	63.3	Low	75.1	Confident	42 Å²	42	81.2 Å²	81.2	20%	0.196	39%	0.392	C	S	.	.	S	Bend	trans	-69.5	141.3	174.9	-90.1	170.4	-35.5	0	0	111.1	K235 Q240	K235-Q238 HydrophobicContact CB-CG 3.99Å; K235-Q238 WeakPolarHBondContact O-CB 3.28Å; K235-Q238 PolarHBondContact O-N 2.86Å; K235-Q238 VanDerWaalsContact O-N 3.16Å; Q238-Q240 PolarHBondContact O-N 3.47Å
239	E	62.9	Low	75.1	Confident	135 Å²	135	82.8 Å²	82.8	63%	0.631	40%	0.399	S	S	*	.			trans	-54.7	132.6	173.2	-65.9	-171.7	170.8	0	0	110.7	K241 I242 Y243	E239-K241 PolarHBondContact O-N 3.27Å; E239-I242 HydrophobicContact CB-CD1 4.18Å; E239-I242 HydrophobicContact CB-CG1 4.28Å; E239-I242 WeakPolarHBondContact O-CB 3.49Å; E239-I242 PolarHBondContact O-N 3.05Å; E239-Y243 PolarHBondContact O-N 3.36Å
240	Q	69.7	Low	75.5	Confident	171 Å²	171	77 Å²	77	80%	0.799	37%	0.372	S	S	*	.	H	α-helix	trans	-53.2	-28.6	-177.7	-165.5	175.4	11.2	0	0	113.1	Q238 Y243 A244	Q238-Q240 PolarHBondContact O-N 3.47Å; Q240-Y243 WeakPolarHBondContact O-CB 3.16Å; Q240-A244 PolarHBondContact O-N 2.93Å; Q240-A244 VanDerWaalsContact O-N 3.16Å
241	K	74.9	Confident	75.9	Confident	151 Å²	151	76.5 Å²	76.5	66%	0.657	37%	0.371	S	S	*	.	H	α-helix	trans	-68.6	-42.1	175.9	-172.8	179.3	178.6	-175.7	0	112.9	E239 Y243 A244 Q245	E239-K241 PolarHBondContact O-N 3.27Å; K241-Y243 VanDerWaalsContact C-N 3.31Å; K241-A244 PolarHBondContact O-N 2.73Å; K241-Q245 WeakPolarHBondContact O-CG 3.37Å; K241-Q245 PolarHBondContact O-N 2.98Å
242	I	79.6	Confident	77	Confident	43 Å²	43	76.2 Å²	76.2	22%	0.221	37%	0.372	C	S	.	.	H	α-helix	trans	-65	-42.3	177.4	-64.3	173.9	0	0	0	109.2	E239 A244 Q245 I246	E239-I242 HydrophobicContact CB-CD1 4.18Å; E239-I242 HydrophobicContact CB-CG1 4.28Å; E239-I242 WeakPolarHBondContact O-CB 3.49Å; E239-I242 PolarHBondContact O-N 3.05Å; I242-A244 PolarHBondContact O-N 2.91Å; I242-Q245 PolarHBondContact O-N 2.87Å; I242-I246 HydrophobicContact CG2-CD1 3.8Å; I242-I246 HydrophobicContact CG2-CG1 4.28Å; I242-I246 WeakPolarHBondContact O-CB 3.48Å; I242-I246 WeakPolarHBondContact O-CG1 3.13Å; I242-I246 PolarHBondContact O-N 2.86Å
243	Y	79.3	Confident	78.1	Confident	58 Å²	58	76.2 Å²	76.2	23%	0.227	37%	0.371	C	S	.	.	H	α-helix	trans	-57.3	-47.4	176.8	-171.8	-97.3	0	0	0	112.8	L234 E239 Q240 K241 Q245 I246 F247	L234-Y243 HydrophobicContact CB-CE2 4.26Å; L234-Y243 HydrophobicContact CD1-CE2 3.77Å; L234-Y243 HydrophobicContact CD2-CD2 3.59Å; L234-Y243 HydrophobicContact CD2-CE2 3.34Å; L234-Y243 HydrophobicContact CG-CE2 3.95Å; E239-Y243 PolarHBondContact O-N 3.36Å; Q240-Y243 WeakPolarHBondContact O-CB 3.16Å; K241-Y243 VanDerWaalsContact C-N 3.31Å; Y243-Q245 VanDerWaalsContact C-N 3.32Å; Y243-Q245 PolarHBondContact O-N 3.15Å; Y243-I246 PolarHBondContact O-N 3.41Å; Y243-F247 AromaticContact CD1-CD2 3.85Å; Y243-F247 HydrophobicContact CD1-CD2 3.85Å; Y243-F247 AromaticContact CD1-CE2 3.88Å; Y243-F247 HydrophobicContact CD1-CE2 3.88Å; Y243-F247 AromaticContact CE1-CD2 3.51Å; Y243-F247 HydrophobicContact CE1-CD2 3.51Å; Y243-F247 AromaticContact CE1-CE2 3.08Å; Y243-F247 HydrophobicContact CE1-CE2 3.08Å; Y243-F247 HydrophobicContact CE1-CZ 4.15Å; Y243-F247 AromaticContact CE2-CE2 3.97Å; Y243-F247 HydrophobicContact CE2-CE2 3.97Å; Y243-F247 HydrophobicContact CE2-CZ 4.4Å; Y243-F247 AromaticContact CZ-CD2 3.91Å; Y243-F247 AromaticContact CZ-CE2 3.09Å; Y243-F247 AromaticContact CZ-CZ 3.73Å; Y243-F247 PolarHBondContact O-N 3.39Å; Y243-F247 VanDerWaalsContact O-N 3.1Å; Y243-F247 WeakPolarHBondContact OH-CE2 3.3Å; Y243-F247 WeakPolarHBondContact OH-CZ 3.42Å
244	A	84.1	Confident	79.6	Confident	62 Å²	62	72.9 Å²	72.9	51%	0.512	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-38.7	176.7	0	0	0	0	0	112.6	Q240 K241 I242 R248	Q240-A244 PolarHBondContact O-N 2.93Å; Q240-A244 VanDerWaalsContact O-N 3.16Å; K241-A244 PolarHBondContact O-N 2.73Å; I242-A244 PolarHBondContact O-N 2.91Å; A244-R248 PolarHBondContact O-N 2.83Å; A244-R248 VanDerWaalsContact O-N 3.16Å
245	Q	88.4	Confident	81.3	Confident	76 Å²	76	72.9 Å²	72.9	36%	0.355	35%	0.35	S	S	.	.	H	α-helix	trans	-66.2	-45.7	176.6	-71.4	176	-8	0	0	111.5	K241 I242 Y243 F247 R248 E249 L395	K241-Q245 WeakPolarHBondContact O-CG 3.37Å; K241-Q245 PolarHBondContact O-N 2.98Å; I242-Q245 PolarHBondContact O-N 2.87Å; Y243-Q245 VanDerWaalsContact C-N 3.32Å; Y243-Q245 PolarHBondContact O-N 3.15Å; Q245-F247 VanDerWaalsContact C-N 3.33Å; Q245-F247 PolarHBondContact O-N 3.44Å; Q245-R248 WeakPolarHBondContact O-CB 3.2Å; Q245-R248 PolarHBondContact O-N 2.63Å; Q245-R248 VanDerWaalsContact O-N 3.12Å; Q245-E249 WeakPolarHBondContact O-CG 3.36Å; Q245-E249 PolarHBondContact O-N 3.25Å; Q245-L395 HydrophobicContact CB-CD1 4.01Å; Q245-L395 HydrophobicContact CB-CD2 4.06Å
246	I	88	Confident	83	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-54.9	-48.1	177.1	-77.6	175.7	0	0	0	111.1	V232 L234 I242 Y243 R248 E249 Y250 L392 L395 T396	V232-I246 HydrophobicContact CB-CG2 4.4Å; V232-I246 HydrophobicContact CG1-CG2 3.04Å; L234-I246 HydrophobicContact CD2-CG2 4.37Å; I242-I246 HydrophobicContact CG2-CD1 3.8Å; I242-I246 HydrophobicContact CG2-CG1 4.28Å; I242-I246 WeakPolarHBondContact O-CB 3.48Å; I242-I246 WeakPolarHBondContact O-CG1 3.13Å; I242-I246 PolarHBondContact O-N 2.86Å; Y243-I246 PolarHBondContact O-N 3.41Å; I246-R248 VanDerWaalsContact C-N 3.33Å; I246-R248 PolarHBondContact O-N 3.32Å; I246-E249 PolarHBondContact O-N 3.46Å; I246-Y250 PolarHBondContact O-N 3.35Å; I246-L392 HydrophobicContact CB-CD2 4.25Å; I246-L392 HydrophobicContact CG1-CD2 4.01Å; I246-L392 HydrophobicContact CG2-CD2 3.83Å; I246-L395 HydrophobicContact CG1-CB 4.39Å; I246-L395 HydrophobicContact CG1-CD1 3.86Å; I246-T396 HydrophobicContact CD1-CG2 4.29Å
247	F	88	Confident	85	Confident	26 Å²	26	64.2 Å²	64.2	11%	0.114	31%	0.311	C	S	.	.	H	α-helix	trans	-66.4	-33.4	178.4	-84.8	-48.8	0	0	0	113.7	L234 Y243 Q245 E249 Y250 L251 I276 S280	L234-F247 HydrophobicContact CD1-CZ 4.08Å; Y243-F247 AromaticContact CD1-CD2 3.85Å; Y243-F247 HydrophobicContact CD1-CD2 3.85Å; Y243-F247 AromaticContact CD1-CE2 3.88Å; Y243-F247 HydrophobicContact CD1-CE2 3.88Å; Y243-F247 AromaticContact CE1-CD2 3.51Å; Y243-F247 HydrophobicContact CE1-CD2 3.51Å; Y243-F247 AromaticContact CE1-CE2 3.08Å; Y243-F247 HydrophobicContact CE1-CE2 3.08Å; Y243-F247 HydrophobicContact CE1-CZ 4.15Å; Y243-F247 AromaticContact CE2-CE2 3.97Å; Y243-F247 HydrophobicContact CE2-CE2 3.97Å; Y243-F247 HydrophobicContact CE2-CZ 4.4Å; Y243-F247 AromaticContact CZ-CD2 3.91Å; Y243-F247 AromaticContact CZ-CE2 3.09Å; Y243-F247 AromaticContact CZ-CZ 3.73Å; Y243-F247 PolarHBondContact O-N 3.39Å; Y243-F247 VanDerWaalsContact O-N 3.1Å; Y243-F247 WeakPolarHBondContact OH-CE2 3.3Å; Y243-F247 WeakPolarHBondContact OH-CZ 3.42Å; Q245-F247 VanDerWaalsContact C-N 3.33Å; Q245-F247 PolarHBondContact O-N 3.44Å; F247-E249 VanDerWaalsContact C-N 3.33Å; F247-Y250 PolarHBondContact O-N 3.31Å; F247-L251 WeakPolarHBondContact O-CB 3.35Å; F247-L251 PolarHBondContact O-N 3.42Å; F247-I276 HydrophobicContact CD1-CG2 3.66Å; F247-I276 HydrophobicContact CE1-CG2 3.95Å; F247-I276 HydrophobicContact CG-CG2 4.17Å; F247-S280 WeakPolarHBondContact CZ-OG 3.14Å
248	R	91.3	Very high	86.8	Confident	168 Å²	168	56.3 Å²	56.3	63%	0.634	27%	0.269	S	S	*	.	H	α-helix	trans	-63.8	-41.7	175.6	-163.5	-177.4	83.8	166.8	7.9	111.7	A244 Q245 I246 L251 T252	A244-R248 PolarHBondContact O-N 2.83Å; A244-R248 VanDerWaalsContact O-N 3.16Å; Q245-R248 WeakPolarHBondContact O-CB 3.2Å; Q245-R248 PolarHBondContact O-N 2.63Å; Q245-R248 VanDerWaalsContact O-N 3.12Å; I246-R248 VanDerWaalsContact C-N 3.33Å; I246-R248 PolarHBondContact O-N 3.32Å; R248-L251 PolarHBondContact O-N 3Å; R248-T252 PolarHBondContact O-N 3.13Å; R248-T252 PolarHBondContact O-OG1 3.49Å
249	E	93.8	Very high	88.3	Confident	39 Å²	39	57.6 Å²	57.6	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-69.4	-37.4	176.8	-60.5	-58.1	145.3	0	0	111.1	Q245 I246 F247 T252 Y253 L388 K391 L395	Q245-E249 WeakPolarHBondContact O-CG 3.36Å; Q245-E249 PolarHBondContact O-N 3.25Å; I246-E249 PolarHBondContact O-N 3.46Å; F247-E249 VanDerWaalsContact C-N 3.33Å; E249-T252 WeakPolarHBondContact O-CB 3.23Å; E249-T252 PolarHBondContact O-N 3.05Å; E249-Y253 PolarHBondContact O-N 3.3Å; E249-L388 HydrophobicContact CB-CD1 4.22Å; E249-K391 HydrophobicContact CB-CG 4.26Å; E249-K391 HydrophobicContact CG-CG 3.6Å; E249-L395 HydrophobicContact CG-CD1 4.16Å
250	Y	93.3	Very high	89.8	Confident	10 Å²	10	52.9 Å²	52.9	4%	0.039	26%	0.259	C	S	.	.	H	α-helix	trans	-65.3	-41.1	173.9	-163.6	-121.7	0	0	0	112.7	D231 V232 I246 F247 T252 Y253 L254 I276 L388	D231-Y250 HydrophobicContact CB-CE2 3.92Å; D231-Y250 WeakPolarHBondContact CB-OH 3.38Å; D231-Y250 PolarHBondContact OD2-OH 3.37Å; V232-Y250 HydrophobicContact CG2-CD1 4Å; V232-Y250 HydrophobicContact CG2-CD2 3.74Å; V232-Y250 HydrophobicContact CG2-CE1 4.37Å; V232-Y250 HydrophobicContact CG2-CE2 4.18Å; V232-Y250 HydrophobicContact CG2-CG 3.68Å; I246-Y250 PolarHBondContact O-N 3.35Å; F247-Y250 PolarHBondContact O-N 3.31Å; Y250-T252 VanDerWaalsContact C-N 3.33Å; Y250-T252 PolarHBondContact O-N 3.35Å; Y250-Y253 HydrophobicContact CD2-CD1 4.04Å; Y250-Y253 AromaticContact CE2-CD1 3.77Å; Y250-Y253 HydrophobicContact CE2-CD1 3.77Å; Y250-Y253 HydrophobicContact CE2-CE1 4.15Å; Y250-Y253 WeakPolarHBondContact O-CB 3.42Å; Y250-Y253 PolarHBondContact O-N 3.03Å; Y250-L254 HydrophobicContact CD1-CD1 4.21Å; Y250-L254 HydrophobicContact CD1-CG 4.42Å; Y250-L254 HydrophobicContact CE1-CD1 3.92Å; Y250-L254 HydrophobicContact CE1-CD2 4.33Å; Y250-L254 HydrophobicContact CE1-CG 4.17Å; Y250-L254 WeakPolarHBondContact O-CG 3.26Å; Y250-L254 PolarHBondContact O-N 3.48Å; Y250-I276 HydrophobicContact CD1-CD1 4.04Å; Y250-I276 HydrophobicContact CD1-CG1 4.04Å; Y250-L388 HydrophobicContact CD2-CD1 4.3Å; Y250-L388 HydrophobicContact CD2-CD2 3.64Å; Y250-L388 HydrophobicContact CE2-CD2 3.95Å
251	L	94.4	Very high	91	Very high	34 Å²	34	44.8 Å²	44.8	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-44.8	173.9	-177.2	51.4	0	0	0	111.5	F247 R248 Y253 L254 N255 I276	F247-L251 WeakPolarHBondContact O-CB 3.35Å; F247-L251 PolarHBondContact O-N 3.42Å; R248-L251 PolarHBondContact O-N 3Å; L251-Y253 VanDerWaalsContact C-N 3.26Å; L251-Y253 PolarHBondContact O-N 3.16Å; L251-L254 PolarHBondContact O-N 3.42Å; L251-N255 WeakPolarHBondContact O-CB 3.45Å; L251-N255 PolarHBondContact O-N 3.41Å; L251-N255 PolarHBondContact O-ND2 3.11Å; L251-I276 VanDerWaalsContact CA-CD1 3.44Å; L251-I276 HydrophobicContact CB-CD1 3.49Å; L251-I276 VanDerWaalsContact CB-CD1 3.49Å; L251-I276 HydrophobicContact CD1-CD1 3.95Å; L251-I276 HydrophobicContact CG-CD1 4.23Å
252	T	96	Very high	91.8	Very high	73 Å²	73	40.1 Å²	40.1	45%	0.448	22%	0.216	S	C	.	.	H	α-helix	trans	-58.5	-42.1	176.3	-57.5	0	0	0	0	111.1	R248 E249 Y250 N255 Q256	R248-T252 PolarHBondContact O-N 3.13Å; R248-T252 PolarHBondContact O-OG1 3.49Å; E249-T252 WeakPolarHBondContact O-CB 3.23Å; E249-T252 PolarHBondContact O-N 3.05Å; Y250-T252 VanDerWaalsContact C-N 3.33Å; Y250-T252 PolarHBondContact O-N 3.35Å; T252-N255 PolarHBondContact O-N 2.87Å; T252-Q256 PolarHBondContact O-N 3.4Å
253	Y	96.4	Very high	92.5	Very high	6 Å²	6	38.4 Å²	38.4	2%	0.024	21%	0.208	C	C	.	.	H	α-helix	trans	-63.6	-50.2	175.5	171	-117.8	0	0	0	112.6	E249 Y250 L251 N255 Q256 L257 V371 A384 R385 L388	E249-Y253 PolarHBondContact O-N 3.3Å; Y250-Y253 HydrophobicContact CD2-CD1 4.04Å; Y250-Y253 AromaticContact CE2-CD1 3.77Å; Y250-Y253 HydrophobicContact CE2-CD1 3.77Å; Y250-Y253 HydrophobicContact CE2-CE1 4.15Å; Y250-Y253 WeakPolarHBondContact O-CB 3.42Å; Y250-Y253 PolarHBondContact O-N 3.03Å; L251-Y253 VanDerWaalsContact C-N 3.26Å; L251-Y253 PolarHBondContact O-N 3.16Å; Y253-N255 VanDerWaalsContact C-N 3.26Å; Y253-N255 PolarHBondContact O-N 2.83Å; Y253-Q256 WeakPolarHBondContact O-CB 3.4Å; Y253-Q256 PolarHBondContact O-N 2.84Å; Y253-Q256 VanDerWaalsContact O-N 3.1Å; Y253-L257 HydrophobicContact CD1-CD1 4.25Å; Y253-L257 HydrophobicContact CD2-CD1 4.47Å; Y253-L257 HydrophobicContact CD2-CG 4.26Å; Y253-L257 HydrophobicContact CE1-CD1 3.74Å; Y253-L257 HydrophobicContact CE2-CD1 3.93Å; Y253-L257 HydrophobicContact CE2-CD2 3.88Å; Y253-L257 HydrophobicContact CE2-CG 3.91Å; Y253-L257 WeakPolarHBondContact O-CG 3.49Å; Y253-L257 PolarHBondContact O-N 3.47Å; Y253-V371 HydrophobicContact CE1-CB 4.47Å; Y253-V371 HydrophobicContact CE1-CG1 4.16Å; Y253-V371 HydrophobicContact CE1-CG2 3.65Å; Y253-A384 HydrophobicContact CD2-CB 3.91Å; Y253-A384 HydrophobicContact CE2-CB 3.81Å; Y253-R385 HydrophobicContact CE2-CB 4.16Å; Y253-L388 HydrophobicContact CD1-CD2 3.46Å; Y253-L388 VanDerWaalsContact CD1-CD2 3.46Å; Y253-L388 HydrophobicContact CD2-CB 4.34Å; Y253-L388 HydrophobicContact CD2-CD2 4.46Å; Y253-L388 HydrophobicContact CE1-CD2 3.86Å; Y253-L388 HydrophobicContact CG-CB 4.21Å; Y253-L388 HydrophobicContact CG-CD2 3.76Å; Y253-L388 HydrophobicContact CG-CG 4.46Å
254	L	95.7	Very high	93.1	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-39.1	177.2	-66.8	-174.9	0	0	0	112.1	Y250 L251 Q256 L257 G258 I276 L367 V371	Y250-L254 HydrophobicContact CD1-CD1 4.21Å; Y250-L254 HydrophobicContact CD1-CG 4.42Å; Y250-L254 HydrophobicContact CE1-CD1 3.92Å; Y250-L254 HydrophobicContact CE1-CD2 4.33Å; Y250-L254 HydrophobicContact CE1-CG 4.17Å; Y250-L254 WeakPolarHBondContact O-CG 3.26Å; Y250-L254 PolarHBondContact O-N 3.48Å; L251-L254 PolarHBondContact O-N 3.42Å; L254-Q256 VanDerWaalsContact C-N 3.35Å; L254-Q256 PolarHBondContact O-N 2.84Å; L254-L257 HydrophobicContact CD2-CD1 4.4Å; L254-L257 PolarHBondContact O-N 3.12Å; L254-G258 PolarHBondContact O-N 2.62Å; L254-I276 HydrophobicContact CD1-CD1 4.23Å; L254-I276 HydrophobicContact CD1-CG1 3.92Å; L254-L367 HydrophobicContact CD2-CB 4.36Å; L254-V371 HydrophobicContact CD2-CG2 3.83Å
255	N	96.5	Very high	93.6	Very high	24 Å²	24	40.3 Å²	40.3	13%	0.128	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-43.1	175.5	-68.9	-23.2	0	0	0	112.4	L251 T252 Y253 L257 G258 T259 V268 Q269 S272	L251-N255 WeakPolarHBondContact O-CB 3.45Å; L251-N255 PolarHBondContact O-N 3.41Å; L251-N255 PolarHBondContact O-ND2 3.11Å; T252-N255 PolarHBondContact O-N 2.87Å; Y253-N255 VanDerWaalsContact C-N 3.26Å; Y253-N255 PolarHBondContact O-N 2.83Å; N255-L257 VanDerWaalsContact C-N 3.32Å; N255-L257 PolarHBondContact O-N 2.93Å; N255-G258 PolarHBondContact O-N 3.17Å; N255-T259 WeakPolarHBondContact O-CB 3.4Å; N255-T259 PolarHBondContact O-N 3.47Å; N255-T259 PolarHBondContact O-OG1 3.27Å; N255-V268 HydrophobicContact CB-CG1 4.19Å; N255-V268 WeakPolarHBondContact O-CG1 3.27Å; N255-Q269 PolarHBondContact ND2-OE1 2.9Å; N255-Q269 WeakPolarHBondContact OD1-CA 3.45Å; N255-S272 WeakPolarHBondContact OD1-CB 3.4Å; N255-S272 PolarHBondContact OD1-OG 2.95Å
256	Q	96.6	Very high	93.8	Very high	63 Å²	63	40.8 Å²	40.8	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-61.5	-44.1	176.9	-171	178.1	-8.7	0	0	110.5	T252 Y253 L254 T259 L260 A384	T252-Q256 PolarHBondContact O-N 3.4Å; Y253-Q256 WeakPolarHBondContact O-CB 3.4Å; Y253-Q256 PolarHBondContact O-N 2.84Å; Y253-Q256 VanDerWaalsContact O-N 3.1Å; L254-Q256 VanDerWaalsContact C-N 3.35Å; L254-Q256 PolarHBondContact O-N 2.84Å; Q256-T259 PolarHBondContact O-N 3.39Å; Q256-L260 HydrophobicContact CG-CD1 4.36Å; Q256-L260 VanDerWaalsContact O-CG 3.3Å; Q256-L260 WeakPolarHBondContact O-CG 3.39Å; Q256-L260 PolarHBondContact O-N 3.28Å; Q256-A384 HydrophobicContact CG-CB 4.25Å
257	L	95.6	Very high	94.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-47.4	177.2	-65.3	-178.8	0	0	0	112.6	Y253 L254 N255 T259 L260 L261 V370 V371 F381 A384	Y253-L257 HydrophobicContact CD1-CD1 4.25Å; Y253-L257 HydrophobicContact CD2-CD1 4.47Å; Y253-L257 HydrophobicContact CD2-CG 4.26Å; Y253-L257 HydrophobicContact CE1-CD1 3.74Å; Y253-L257 HydrophobicContact CE2-CD1 3.93Å; Y253-L257 HydrophobicContact CE2-CD2 3.88Å; Y253-L257 HydrophobicContact CE2-CG 3.91Å; Y253-L257 WeakPolarHBondContact O-CG 3.49Å; Y253-L257 PolarHBondContact O-N 3.47Å; L254-L257 HydrophobicContact CD2-CD1 4.4Å; L254-L257 PolarHBondContact O-N 3.12Å; N255-L257 VanDerWaalsContact C-N 3.32Å; N255-L257 PolarHBondContact O-N 2.93Å; L257-T259 VanDerWaalsContact C-N 3.29Å; L257-T259 PolarHBondContact O-N 2.76Å; L257-L260 PolarHBondContact O-N 2.83Å; L257-L261 PolarHBondContact O-N 3.4Å; L257-V370 HydrophobicContact CB-CG1 4.2Å; L257-V370 HydrophobicContact CD1-CG1 4.03Å; L257-V370 HydrophobicContact CD2-CG1 4.25Å; L257-V370 HydrophobicContact CG-CG1 4.41Å; L257-V371 HydrophobicContact CD1-CG2 3.66Å; L257-F381 HydrophobicContact CD2-CD1 3.54Å; L257-F381 HydrophobicContact CD2-CE1 3.97Å; L257-A384 HydrophobicContact CD2-CB 4.48Å
258	G	94.9	Very high	94.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-37.2	177.6	0	0	0	0	0	112.7	L254 N255 L261 G263	L254-G258 PolarHBondContact O-N 2.62Å; N255-G258 PolarHBondContact O-N 3.17Å; G258-L261 PolarHBondContact O-N 3Å; G258-G263 PolarHBondContact O-N 3.4Å
259	T	95.1	Very high	94.7	Very high	68 Å²	68	40.3 Å²	40.3	42%	0.417	23%	0.234	S	C	.	.	H	α-helix	trans	-69.7	-40.9	177	-53.4	0	0	0	0	111.8	N255 Q256 L257 L261 G262	N255-T259 WeakPolarHBondContact O-CB 3.4Å; N255-T259 PolarHBondContact O-N 3.47Å; N255-T259 PolarHBondContact O-OG1 3.27Å; Q256-T259 PolarHBondContact O-N 3.39Å; L257-T259 VanDerWaalsContact C-N 3.29Å; L257-T259 PolarHBondContact O-N 2.76Å; T259-L261 PolarHBondContact O-N 3.28Å; T259-G262 WeakPolarHBondContact O-CA 3.31Å; T259-G262 PolarHBondContact O-N 2.99Å
260	L	95.1	Very high	94.7	Very high	37 Å²	37	43.7 Å²	43.7	19%	0.194	25%	0.25	C	C	.	.	H	α-helix	trans	-59.6	-30.9	174.7	-73.9	172.7	0	0	0	112.1	Q256 L257 G262 Q380 F381	Q256-L260 HydrophobicContact CG-CD1 4.36Å; Q256-L260 VanDerWaalsContact O-CG 3.3Å; Q256-L260 WeakPolarHBondContact O-CG 3.39Å; Q256-L260 PolarHBondContact O-N 3.28Å; L257-L260 PolarHBondContact O-N 2.83Å; L260-G262 PolarHBondContact O-N 2.66Å; L260-Q380 HydrophobicContact CD1-CB 4.05Å; L260-Q380 HydrophobicContact CD2-CB 3.8Å; L260-Q380 HydrophobicContact CD2-CG 4.43Å; L260-F381 HydrophobicContact CB-CE1 4.15Å; L260-F381 HydrophobicContact CB-CE2 4.05Å; L260-F381 HydrophobicContact CB-CZ 3.63Å; L260-F381 HydrophobicContact CD1-CD1 4.23Å; L260-F381 HydrophobicContact CD1-CD2 4.2Å; L260-F381 HydrophobicContact CD1-CE1 4.21Å; L260-F381 HydrophobicContact CD1-CE2 4.18Å; L260-F381 HydrophobicContact CD1-CG 4.21Å; L260-F381 HydrophobicContact CD1-CZ 4.18Å
261	L	93.8	Very high	94.8	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	5.2	173.5	-69.4	168.3	0	0	0	113.8	T166 L169 R170 I173 W179 S182 L257 G258 T259 V370 F381	T166-L261 HydrophobicContact CG2-CD2 4.3Å; L169-L261 HydrophobicContact CD2-CD1 4.3Å; L169-L261 HydrophobicContact CD2-CD2 3.72Å; L169-L261 HydrophobicContact CD2-CG 4.47Å; L169-L261 HydrophobicContact CG-CD2 4.15Å; R170-L261 PolarHBondContact NH2-O 3.3Å; I173-L261 HydrophobicContact CD1-CD1 3.96Å; I173-L261 HydrophobicContact CD1-CD2 4.23Å; W179-L261 HydrophobicContact CE3-CD1 4.36Å; W179-L261 HydrophobicContact CZ3-CB 4.31Å; W179-L261 HydrophobicContact CZ3-CD1 3.73Å; S182-L261 VanDerWaalsContact CB-O 3.3Å; S182-L261 WeakPolarHBondContact CB-O 3.49Å; L257-L261 PolarHBondContact O-N 3.4Å; G258-L261 PolarHBondContact O-N 3Å; T259-L261 PolarHBondContact O-N 3.28Å; L261-V370 HydrophobicContact CD1-CG1 4.29Å; L261-V370 HydrophobicContact CD1-CG2 3.81Å; L261-F381 HydrophobicContact CD2-CZ 4.26Å; L261-F381 HydrophobicContact CG-CZ 4.28Å
262	G	92.1	Very high	94.8	Very high	53 Å²	53	41.9 Å²	41.9	55%	0.546	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	21.9	179.1	0	0	0	0	0	113.8	T259 L260	T259-G262 WeakPolarHBondContact O-CA 3.31Å; T259-G262 PolarHBondContact O-N 2.99Å; L260-G262 PolarHBondContact O-N 2.66Å
263	G	93.4	Very high	94.8	Very high	6 Å²	6	40.2 Å²	40.2	6%	0.062	23%	0.232	C	C	.	.			trans	-71.4	147.1	172.4	0	0	0	0	0	112.7	I181 G258	I181-G263 WeakPolarHBondContact O-CA 3.31Å; G258-G263 PolarHBondContact O-N 3.4Å
264	D	93.3	Very high	94.6	Very high	75 Å²	75	41.1 Å²	41.1	40%	0.401	24%	0.237	S	C	.	.			trans	-63.3	127.3	170.1	173.5	-93.9	0	0	0	110.3	S266 K267 V268	D264-S266 VanDerWaalsContact C-N 3.26Å; D264-S266 PolarHBondContact O-N 3.05Å; D264-S266 VanDerWaalsContact O-N 3.15Å; D264-S266 WeakPolarHBondContact OD1-CA 3.42Å; D264-S266 WeakPolarHBondContact OD1-CB 3.33Å; D264-S266 PolarHBondContact OD1-N 3.49Å; D264-S266 PolarHBondContact OD1-OG 2.89Å; D264-K267 HydrophobicContact CB-CB 4.35Å; D264-K267 HydrophobicContact CB-CD 4.31Å; D264-K267 HydrophobicContact CB-CG 4.36Å; D264-K267 PolarHBondContact O-N 3.14Å; D264-K267 VanDerWaalsContact O-N 3.17Å; D264-K267 PolarHBondContact OD1-N 3.16Å; D264-K267 VanDerWaalsContact OD1-N 3.15Å; D264-V268 WeakPolarHBondContact O-CB 3.16Å; D264-V268 WeakPolarHBondContact O-CG2 3.34Å; D264-V268 PolarHBondContact O-N 3.38Å
265	P	93.7	Very high	94.5	Very high	86 Å²	86	41.3 Å²	41.3	56%	0.558	24%	0.239	S	C	*	.	H	α-helix	trans	-55.8	-35.2	-174.6	-29	35.8	0	0	0	114.7	Q269	P265-Q269 WeakPolarHBondContact O-CB 3.04Å; P265-Q269 PolarHBondContact O-N 3.2Å
266	S	93.8	Very high	94.3	Very high	85 Å²	85	40.9 Å²	40.9	59%	0.594	24%	0.236	S	C	*	.	H	α-helix	trans	-70.8	-42.9	-179.1	74.7	0	0	0	0	111.6	D264 Q269 E270	D264-S266 VanDerWaalsContact C-N 3.26Å; D264-S266 PolarHBondContact O-N 3.05Å; D264-S266 VanDerWaalsContact O-N 3.15Å; D264-S266 WeakPolarHBondContact OD1-CA 3.42Å; D264-S266 WeakPolarHBondContact OD1-CB 3.33Å; D264-S266 PolarHBondContact OD1-N 3.49Å; D264-S266 PolarHBondContact OD1-OG 2.89Å; S266-Q269 PolarHBondContact O-N 3.33Å; S266-E270 PolarHBondContact O-N 2.98Å; S266-E270 VanDerWaalsContact O-N 3.14Å
267	K	93.7	Very high	94.1	Very high	106 Å²	106	40 Å²	40	46%	0.461	24%	0.237	S	C	.	.	H	α-helix	trans	-68.4	-42.9	174.7	-66.5	-178.7	180	172.1	0	111.6	D264 Q269 E270 H271	D264-K267 HydrophobicContact CB-CB 4.35Å; D264-K267 HydrophobicContact CB-CD 4.31Å; D264-K267 HydrophobicContact CB-CG 4.36Å; D264-K267 PolarHBondContact O-N 3.14Å; D264-K267 VanDerWaalsContact O-N 3.17Å; D264-K267 PolarHBondContact OD1-N 3.16Å; D264-K267 VanDerWaalsContact OD1-N 3.15Å; K267-Q269 VanDerWaalsContact C-N 3.26Å; K267-Q269 PolarHBondContact O-N 3.26Å; K267-E270 PolarHBondContact O-N 3.35Å; K267-H271 PolarHBondContact O-CD2 2.94Å; K267-H271 PolarHBondContact O-N 3.36Å
268	V	95.3	Very high	94	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-55.2	-46.3	175.8	168.4	0	0	0	0	110.3	I181 N255 D264 S272	I181-V268 HydrophobicContact CG2-CG2 3.41Å; I181-V268 VanDerWaalsContact CG2-CG2 3.41Å; N255-V268 HydrophobicContact CB-CG1 4.19Å; N255-V268 WeakPolarHBondContact O-CG1 3.27Å; D264-V268 WeakPolarHBondContact O-CB 3.16Å; D264-V268 WeakPolarHBondContact O-CG2 3.34Å; D264-V268 PolarHBondContact O-N 3.38Å; V268-S272 WeakPolarHBondContact O-CB 3.31Å; V268-S272 PolarHBondContact O-N 2.98Å; V268-S272 PolarHBondContact O-OG 2.97Å
269	Q	95.4	Very high	93.8	Very high	78 Å²	78	41.2 Å²	41.2	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-59.8	-47.7	177.2	178.8	69.1	54.4	0	0	112.2	N255 P265 S266 K267 S273	N255-Q269 PolarHBondContact ND2-OE1 2.9Å; N255-Q269 WeakPolarHBondContact OD1-CA 3.45Å; P265-Q269 WeakPolarHBondContact O-CB 3.04Å; P265-Q269 PolarHBondContact O-N 3.2Å; S266-Q269 PolarHBondContact O-N 3.33Å; K267-Q269 VanDerWaalsContact C-N 3.26Å; K267-Q269 PolarHBondContact O-N 3.26Å; Q269-S273 PolarHBondContact NE2-OG 3.34Å; Q269-S273 VanDerWaalsContact O-CB 3.32Å; Q269-S273 WeakPolarHBondContact O-CB 3.46Å; Q269-S273 PolarHBondContact O-N 2.97Å; Q269-S273 PolarHBondContact O-OG 2.83Å
270	E	95.4	Very high	93.6	Very high	111 Å²	111	39 Å²	39	52%	0.519	23%	0.231	S	C	.	.	H	α-helix	trans	-58.1	-52.5	179.4	-171.9	-174.2	-173.8	0	0	111.3	S266 K267 S273 L274 F360	S266-E270 PolarHBondContact O-N 2.98Å; S266-E270 VanDerWaalsContact O-N 3.14Å; K267-E270 PolarHBondContact O-N 3.35Å; E270-S273 PolarHBondContact O-N 2.93Å; E270-L274 PolarHBondContact O-N 3.07Å; E270-L274 VanDerWaalsContact O-N 3.09Å; E270-F360 HydrophobicContact CG-CE1 3.93Å; E270-F360 HydrophobicContact CG-CZ 4Å
271	H	94.8	Very high	93.5	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.023	24%	0.239	C	C	.	.	H	α-helix	trans	-70	-35.8	-178	-77.6	-98.2	0	0	0	113.5	I181 K267 S273 L274 S275 D359 F360 S363	I181-H271 HydrophobicContact CD1-CB 3.22Å; I181-H271 HydrophobicContact CG1-CB 4.29Å; K267-H271 PolarHBondContact O-CD2 2.94Å; K267-H271 PolarHBondContact O-N 3.36Å; H271-S273 VanDerWaalsContact C-N 3.34Å; H271-L274 PolarHBondContact O-N 2.85Å; H271-S275 WeakPolarHBondContact O-CB 3.45Å; H271-S275 PolarHBondContact O-N 3.06Å; H271-D359 IonicContact CE1-OD2 3.07Å; H271-F360 HydrophobicContact CB-CD1 4.25Å; H271-F360 HydrophobicContact CB-CE1 4.33Å; H271-F360 AromaticContact CD2-CE1 3.94Å; H271-F360 AromaticContact CE1-CD1 3.82Å; H271-F360 AromaticContact CE1-CE1 3.87Å; H271-F360 AromaticContact CG-CD1 3.75Å; H271-F360 AromaticContact CG-CE1 3.7Å; H271-F360 AromaticContact ND1-CD1 3.35Å; H271-F360 VanDerWaalsContact ND1-CD1 3.35Å; H271-F360 WeakPolarHBondContact ND1-CD1 3.42Å; H271-F360 AromaticContact ND1-CE1 3.65Å; H271-S363 PolarHBondContact CE1-OG 2.83Å; H271-S363 WeakPolarHBondContact ND1-CB 3.4Å; H271-S363 PolarHBondContact ND1-OG 3.26Å
272	S	94.9	Very high	93.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.9	-38.9	175.6	-59.4	0	0	0	0	111	N255 V268 S275 I276	N255-S272 WeakPolarHBondContact OD1-CB 3.4Å; N255-S272 PolarHBondContact OD1-OG 2.95Å; V268-S272 WeakPolarHBondContact O-CB 3.31Å; V268-S272 PolarHBondContact O-N 2.98Å; V268-S272 PolarHBondContact O-OG 2.97Å; S272-S275 WeakPolarHBondContact O-CB 3.41Å; S272-S275 PolarHBondContact O-N 3.31Å; S272-I276 PolarHBondContact O-N 3.36Å; S272-I276 VanDerWaalsContact O-N 3.09Å
273	S	94.6	Very high	93.3	Very high	39 Å²	39	40.7 Å²	40.7	27%	0.273	22%	0.22	S	C	.	.	H	α-helix	trans	-62.2	-45.9	175.9	-55.6	0	0	0	0	110.9	Q269 E270 H271 S275 I276 S277	Q269-S273 PolarHBondContact NE2-OG 3.34Å; Q269-S273 VanDerWaalsContact O-CB 3.32Å; Q269-S273 WeakPolarHBondContact O-CB 3.46Å; Q269-S273 PolarHBondContact O-N 2.97Å; Q269-S273 PolarHBondContact O-OG 2.83Å; E270-S273 PolarHBondContact O-N 2.93Å; H271-S273 VanDerWaalsContact C-N 3.34Å; S273-S275 PolarHBondContact O-N 3.34Å; S273-I276 PolarHBondContact O-N 2.86Å; S273-S277 PolarHBondContact O-N 2.64Å; S273-S277 PolarHBondContact O-OG 2.96Å
274	L	93.4	Very high	93.1	Very high	24 Å²	24	47 Å²	47	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-69.8	-32.8	178.5	-170.1	46.3	0	0	0	112.6	E270 H271 I276 S277 I278 W281 Q357 F360	E270-L274 PolarHBondContact O-N 3.07Å; E270-L274 VanDerWaalsContact O-N 3.09Å; H271-L274 PolarHBondContact O-N 2.85Å; L274-I276 VanDerWaalsContact C-N 3.29Å; L274-I276 PolarHBondContact O-N 3.34Å; L274-S277 WeakPolarHBondContact O-CB 3.41Å; L274-S277 PolarHBondContact O-N 2.96Å; L274-S277 VanDerWaalsContact O-N 3.16Å; L274-I278 WeakPolarHBondContact O-CG1 3.42Å; L274-I278 PolarHBondContact O-N 3.44Å; L274-W281 HydrophobicContact CD1-CH2 4.01Å; L274-W281 HydrophobicContact CD1-CZ3 4.19Å; L274-Q357 VanDerWaalsContact CD2-OE1 3.26Å; L274-F360 HydrophobicContact CB-CB 4.47Å; L274-F360 HydrophobicContact CB-CD1 3.77Å; L274-F360 HydrophobicContact CB-CE1 4.21Å; L274-F360 HydrophobicContact CB-CG 4.26Å; L274-F360 HydrophobicContact CD2-CB 3.39Å; L274-F360 HydrophobicContact CD2-CD1 3.34Å; L274-F360 HydrophobicContact CD2-CD2 3.29Å; L274-F360 HydrophobicContact CD2-CE1 3.8Å; L274-F360 HydrophobicContact CD2-CE2 3.74Å; L274-F360 HydrophobicContact CD2-CG 3.04Å; L274-F360 HydrophobicContact CD2-CZ 3.97Å; L274-F360 HydrophobicContact CG-CB 3.87Å; L274-F360 HydrophobicContact CG-CD1 3.95Å; L274-F360 HydrophobicContact CG-CG 3.91Å
275	S	93.7	Very high	93.1	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-59.8	-39.4	170.9	-173.9	0	0	0	0	112.3	H271 S272 S273 I278 T279 H364	H271-S275 WeakPolarHBondContact O-CB 3.45Å; H271-S275 PolarHBondContact O-N 3.06Å; S272-S275 WeakPolarHBondContact O-CB 3.41Å; S272-S275 PolarHBondContact O-N 3.31Å; S273-S275 PolarHBondContact O-N 3.34Å; S275-I278 PolarHBondContact O-N 3.32Å; S275-T279 PolarHBondContact O-N 2.88Å; S275-T279 PolarHBondContact O-OG1 3.05Å; S275-H364 PolarHBondContact O-ND1 3.47Å; S275-H364 WeakPolarHBondContact OG-CA 3.45Å; S275-H364 PolarHBondContact OG-ND1 3.35Å
276	I	91.7	Very high	92.8	Very high	16 Å²	16	43.1 Å²	43.1	8%	0.082	22%	0.219	C	C	.	.	H	α-helix	trans	-68.6	-37.9	174	-71.8	178.9	0	0	0	111.6	F247 Y250 L251 L254 S272 S273 L274 T279 S280	F247-I276 HydrophobicContact CD1-CG2 3.66Å; F247-I276 HydrophobicContact CE1-CG2 3.95Å; F247-I276 HydrophobicContact CG-CG2 4.17Å; Y250-I276 HydrophobicContact CD1-CD1 4.04Å; Y250-I276 HydrophobicContact CD1-CG1 4.04Å; L251-I276 VanDerWaalsContact CA-CD1 3.44Å; L251-I276 HydrophobicContact CB-CD1 3.49Å; L251-I276 VanDerWaalsContact CB-CD1 3.49Å; L251-I276 HydrophobicContact CD1-CD1 3.95Å; L251-I276 HydrophobicContact CG-CD1 4.23Å; L254-I276 HydrophobicContact CD1-CD1 4.23Å; L254-I276 HydrophobicContact CD1-CG1 3.92Å; S272-I276 PolarHBondContact O-N 3.36Å; S272-I276 VanDerWaalsContact O-N 3.09Å; S273-I276 PolarHBondContact O-N 2.86Å; L274-I276 VanDerWaalsContact C-N 3.29Å; L274-I276 PolarHBondContact O-N 3.34Å; I276-T279 WeakPolarHBondContact O-CB 3.19Å; I276-T279 PolarHBondContact O-N 3.19Å; I276-S280 WeakPolarHBondContact O-CB 3.4Å; I276-S280 PolarHBondContact O-N 3.45Å; I276-S280 PolarHBondContact O-OG 3.18Å
277	S	92.4	Very high	92.6	Very high	45 Å²	45	40.9 Å²	40.9	32%	0.315	20%	0.198	S	C	.	.	H	α-helix	trans	-61.8	-44	174.5	-57.3	0	0	0	0	111.7	S273 L274 T279 S280 W281	S273-S277 PolarHBondContact O-N 2.64Å; S273-S277 PolarHBondContact O-OG 2.96Å; L274-S277 WeakPolarHBondContact O-CB 3.41Å; L274-S277 PolarHBondContact O-N 2.96Å; L274-S277 VanDerWaalsContact O-N 3.16Å; S277-T279 VanDerWaalsContact C-N 3.34Å; S277-T279 PolarHBondContact O-N 3.48Å; S277-S280 WeakPolarHBondContact O-CB 3.25Å; S277-S280 PolarHBondContact O-N 2.92Å; S277-S280 VanDerWaalsContact O-N 3.13Å; S277-W281 VanDerWaalsContact O-CD2 3.27Å; S277-W281 PolarHBondContact O-N 3.4Å
278	I	93.8	Very high	92.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-57	-50.1	173.8	-65.5	161.9	0	0	0	110.4	F206 L274 S275 S280 W281 L282 M353 H364	F206-I278 HydrophobicContact CE1-CG2 4.48Å; L274-I278 WeakPolarHBondContact O-CG1 3.42Å; L274-I278 PolarHBondContact O-N 3.44Å; S275-I278 PolarHBondContact O-N 3.32Å; I278-S280 VanDerWaalsContact C-N 3.25Å; I278-S280 PolarHBondContact O-N 3.27Å; I278-W281 HydrophobicContact CG1-CE3 4.24Å; I278-W281 HydrophobicContact CG1-CZ3 4.07Å; I278-W281 PolarHBondContact O-N 3.33Å; I278-L282 HydrophobicContact CG2-CD1 4.24Å; I278-L282 HydrophobicContact CG2-CG 4.5Å; I278-L282 WeakPolarHBondContact O-CG 3.39Å; I278-L282 PolarHBondContact O-N 3.02Å; I278-M353 HydrophobicContact CD1-CE 3.66Å; I278-M353 HydrophobicContact CG1-CE 4.13Å; I278-H364 HydrophobicContact CD1-CB 3.76Å
279	T	91.6	Very high	91.5	Very high	23 Å²	23	41.2 Å²	41.2	14%	0.141	21%	0.207	C	C	.	.	H	α-helix	trans	-57.4	-40.5	177.4	-53.2	0	0	0	0	111.7	F230 S275 I276 S277 F283 H364	F230-T279 HydrophobicContact CD1-CG2 3.65Å; F230-T279 HydrophobicContact CE1-CG2 3.98Å; S275-T279 PolarHBondContact O-N 2.88Å; S275-T279 PolarHBondContact O-OG1 3.05Å; I276-T279 WeakPolarHBondContact O-CB 3.19Å; I276-T279 PolarHBondContact O-N 3.19Å; S277-T279 VanDerWaalsContact C-N 3.34Å; S277-T279 PolarHBondContact O-N 3.48Å; T279-F283 WeakPolarHBondContact O-CB 3.45Å; T279-F283 PolarHBondContact O-N 3.4Å; T279-H364 PolarHBondContact OG1-CE1 3.08Å
280	S	89.4	Confident	90.7	Very high	21 Å²	21	45.3 Å²	45.3	15%	0.147	23%	0.226	C	C	.	.	H	α-helix	trans	-67.5	-41.2	178.7	-60.8	0	0	0	0	112.5	F247 I276 S277 I278 F283 Q284	F247-S280 WeakPolarHBondContact CZ-OG 3.14Å; I276-S280 WeakPolarHBondContact O-CB 3.4Å; I276-S280 PolarHBondContact O-N 3.45Å; I276-S280 PolarHBondContact O-OG 3.18Å; S277-S280 WeakPolarHBondContact O-CB 3.25Å; S277-S280 PolarHBondContact O-N 2.92Å; S277-S280 VanDerWaalsContact O-N 3.13Å; I278-S280 VanDerWaalsContact C-N 3.25Å; I278-S280 PolarHBondContact O-N 3.27Å; S280-F283 PolarHBondContact O-N 3.23Å; S280-Q284 WeakPolarHBondContact O-CG 3.22Å; S280-Q284 PolarHBondContact O-N 2.97Å
281	W	92.8	Very high	90.1	Very high	93 Å²	93	44.2 Å²	44.2	35%	0.352	22%	0.221	S	C	.	.	H	α-helix	trans	-64.5	-45.1	175.2	-64.9	-43.1	0	0	0	111.5	L274 S277 I278 F283 Q284 F285 L349 M353	L274-W281 HydrophobicContact CD1-CH2 4.01Å; L274-W281 HydrophobicContact CD1-CZ3 4.19Å; S277-W281 VanDerWaalsContact O-CD2 3.27Å; S277-W281 PolarHBondContact O-N 3.4Å; I278-W281 HydrophobicContact CG1-CE3 4.24Å; I278-W281 HydrophobicContact CG1-CZ3 4.07Å; I278-W281 PolarHBondContact O-N 3.33Å; W281-F283 VanDerWaalsContact C-N 3.27Å; W281-F283 PolarHBondContact O-N 3.16Å; W281-Q284 WeakPolarHBondContact O-CB 3.31Å; W281-Q284 PolarHBondContact O-N 3.27Å; W281-Q284 VanDerWaalsContact O-N 3.15Å; W281-F285 HydrophobicContact CB-CE2 4.5Å; W281-F285 HydrophobicContact CB-CZ 4.33Å; W281-F285 WeakPolarHBondContact O-CD1 3.49Å; W281-F285 WeakPolarHBondContact O-CD2 3.41Å; W281-F285 VanDerWaalsContact O-CG 3.31Å; W281-F285 WeakPolarHBondContact O-CG 3.42Å; W281-F285 PolarHBondContact O-N 3.15Å; W281-L349 HydrophobicContact CB-CD2 3.85Å; W281-L349 HydrophobicContact CD2-CD1 4.32Å; W281-L349 HydrophobicContact CE3-CD1 3.67Å; W281-L349 HydrophobicContact CE3-CD2 4.24Å; W281-L349 HydrophobicContact CZ3-CD1 4.23Å; W281-M353 HydrophobicContact CZ3-SD 4.4Å
282	L	93.3	Very high	89.6	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-58.2	-42.2	174.5	-64.9	177.2	0	0	0	111.3	F206 F230 I278 Q284 F285 Y342 M346 L349	F206-L282 HydrophobicContact CD1-CD1 4.15Å; F230-L282 HydrophobicContact CE1-CB 4.25Å; F230-L282 HydrophobicContact CZ-CB 4.29Å; I278-L282 HydrophobicContact CG2-CD1 4.24Å; I278-L282 HydrophobicContact CG2-CG 4.5Å; I278-L282 WeakPolarHBondContact O-CG 3.39Å; I278-L282 PolarHBondContact O-N 3.02Å; L282-Q284 VanDerWaalsContact C-N 3.34Å; L282-Q284 PolarHBondContact O-N 3.28Å; L282-F285 HydrophobicContact CD2-CD2 4.42Å; L282-F285 PolarHBondContact O-N 2.98Å; L282-Y342 HydrophobicContact CB-CE2 4.42Å; L282-Y342 HydrophobicContact CD2-CE2 4.47Å; L282-Y342 WeakPolarHBondContact O-CE2 3.46Å; L282-M346 HydrophobicContact CD2-CB 4.04Å; L282-M346 HydrophobicContact CD2-CG 3.67Å; L282-L349 HydrophobicContact CD2-CD2 3.94Å; L282-L349 HydrophobicContact CG-CD2 4.31Å
283	F	89.1	Confident	89	Confident	32 Å²	32	52.3 Å²	52.3	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-38.8	177.3	-172	-98.6	0	0	0	112.8	F230 L234 T279 S280 W281 F285 L286	F230-F283 HydrophobicContact CD2-CD2 4.49Å; F230-F283 HydrophobicContact CE1-CB 4.09Å; F230-F283 HydrophobicContact CE1-CD2 4.42Å; F230-F283 HydrophobicContact CE2-CD2 4.38Å; F230-F283 HydrophobicContact CZ-CB 4.31Å; F230-F283 HydrophobicContact CZ-CD2 4.33Å; L234-F283 HydrophobicContact CB-CD2 4.21Å; L234-F283 HydrophobicContact CB-CE1 4.17Å; L234-F283 HydrophobicContact CB-CE2 3.46Å; L234-F283 VanDerWaalsContact CB-CE2 3.46Å; L234-F283 HydrophobicContact CB-CZ 3.43Å; L234-F283 VanDerWaalsContact CB-CZ 3.43Å; L234-F283 HydrophobicContact CD1-CD1 4.12Å; L234-F283 HydrophobicContact CD1-CD2 3.68Å; L234-F283 HydrophobicContact CD1-CE1 4.24Å; L234-F283 HydrophobicContact CD1-CE2 3.83Å; L234-F283 HydrophobicContact CD1-CG 3.84Å; L234-F283 HydrophobicContact CD1-CZ 4.11Å; L234-F283 HydrophobicContact CG-CE2 4.26Å; L234-F283 HydrophobicContact CG-CZ 4.42Å; T279-F283 WeakPolarHBondContact O-CB 3.45Å; T279-F283 PolarHBondContact O-N 3.4Å; S280-F283 PolarHBondContact O-N 3.23Å; W281-F283 VanDerWaalsContact C-N 3.27Å; W281-F283 PolarHBondContact O-N 3.16Å; F283-F285 PolarHBondContact O-N 3.22Å; F283-L286 HydrophobicContact CD2-CD1 3.52Å; F283-L286 HydrophobicContact CE2-CD1 3.91Å; F283-L286 HydrophobicContact CG-CD1 4.21Å; F283-L286 WeakPolarHBondContact O-CB 3.49Å; F283-L286 WeakPolarHBondContact O-CG 3.23Å; F283-L286 PolarHBondContact O-N 3.31Å
284	Q	88.9	Confident	88.2	Confident	140 Å²	140	54.7 Å²	54.7	65%	0.654	27%	0.274	S	S	*	.	H	α-helix	trans	-65.4	-24.1	176.9	-73.3	172.7	3.9	0	0	113.3	S280 W281 L282 L286	S280-Q284 WeakPolarHBondContact O-CG 3.22Å; S280-Q284 PolarHBondContact O-N 2.97Å; W281-Q284 WeakPolarHBondContact O-CB 3.31Å; W281-Q284 PolarHBondContact O-N 3.27Å; W281-Q284 VanDerWaalsContact O-N 3.15Å; L282-Q284 VanDerWaalsContact C-N 3.34Å; L282-Q284 PolarHBondContact O-N 3.28Å; Q284-L286 VanDerWaalsContact C-N 3.31Å
285	F	92.9	Very high	87.8	Confident	58 Å²	58	57.6 Å²	57.6	25%	0.254	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-11.5	178.1	-57.1	-26.7	0	0	0	113.6	W281 L282 F283 Y342 N345 L349	W281-F285 HydrophobicContact CB-CE2 4.5Å; W281-F285 HydrophobicContact CB-CZ 4.33Å; W281-F285 WeakPolarHBondContact O-CD1 3.49Å; W281-F285 WeakPolarHBondContact O-CD2 3.41Å; W281-F285 VanDerWaalsContact O-CG 3.31Å; W281-F285 WeakPolarHBondContact O-CG 3.42Å; W281-F285 PolarHBondContact O-N 3.15Å; L282-F285 HydrophobicContact CD2-CD2 4.42Å; L282-F285 PolarHBondContact O-N 2.98Å; F283-F285 PolarHBondContact O-N 3.22Å; F285-Y342 HydrophobicContact CB-CD2 3.69Å; F285-Y342 HydrophobicContact CB-CE2 4.17Å; F285-N345 HydrophobicContact CB-CB 4.14Å; F285-N345 HydrophobicContact CD1-CB 3.88Å; F285-N345 HydrophobicContact CD2-CB 3.61Å; F285-N345 HydrophobicContact CE1-CB 4.15Å; F285-N345 HydrophobicContact CE2-CB 3.89Å; F285-N345 HydrophobicContact CG-CB 3.61Å; F285-N345 HydrophobicContact CZ-CB 4.15Å; F285-L349 HydrophobicContact CE2-CB 4.15Å; F285-L349 HydrophobicContact CE2-CD2 4.04Å
286	L	89.1	Confident	87.1	Confident	20 Å²	20	60.3 Å²	60.3	11%	0.105	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-71.8	134.5	-175.1	-58.4	176.3	0	0	0	112.1	Q227 F230 F283 Q284 Y342	Q227-L286 HydrophobicContact CB-CD2 3.44Å; Q227-L286 VanDerWaalsContact CB-CD2 3.44Å; Q227-L286 HydrophobicContact CG-CD2 4.15Å; F230-L286 HydrophobicContact CD2-CD1 4.38Å; F230-L286 HydrophobicContact CE2-CD1 3.5Å; F230-L286 HydrophobicContact CE2-CD2 4.24Å; F230-L286 HydrophobicContact CE2-CG 4.36Å; F230-L286 HydrophobicContact CZ-CD1 3.84Å; F230-L286 HydrophobicContact CZ-CD2 4.38Å; F230-L286 HydrophobicContact CZ-CG 4.4Å; F283-L286 HydrophobicContact CD2-CD1 3.52Å; F283-L286 HydrophobicContact CE2-CD1 3.91Å; F283-L286 HydrophobicContact CG-CD1 4.21Å; F283-L286 WeakPolarHBondContact O-CB 3.49Å; F283-L286 WeakPolarHBondContact O-CG 3.23Å; F283-L286 PolarHBondContact O-N 3.31Å; Q284-L286 VanDerWaalsContact C-N 3.31Å; L286-Y342 HydrophobicContact CD2-CD2 3.61Å; L286-Y342 HydrophobicContact CD2-CE2 3.66Å; L286-Y342 HydrophobicContact CD2-CG 4.32Å
287	R	87.8	Confident	86.6	Confident	38 Å²	38	63.6 Å²	63.6	14%	0.143	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-92	130.7	165.4	-164.1	177.5	-60.5	137.8	12.5	111.5	Q291 R292 D339	R287-Q291 HydrophobicContact CG-CB 4.06Å; R287-Q291 HydrophobicContact CG-CG 4.07Å; R287-Q291 VanDerWaalsContact CG-OE1 3.28Å; R287-R292 HydrophobicContact CB-CG 3.81Å; R287-R292 HydrophobicContact CG-CG 3.9Å; R287-R292 PolarHBondContact O-NE 3.43Å; R287-D339 WeakPolarHBondContact CB-OD2 3.41Å; R287-D339 PolarHBondContact N-OD2 3.37Å
288	P	84.9	Confident	86.3	Confident	42 Å²	42	62.2 Å²	62.2	27%	0.273	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-53.7	142.8	174.8	-27.6	36.6	0	0	0	112.8	E290 Q291 R292	P288-E290 VanDerWaalsContact C-N 3.29Å; P288-E290 PolarHBondContact O-N 3.44Å; P288-Q291 HydrophobicContact CB-CB 4.35Å; P288-Q291 PolarHBondContact O-N 2.65Å; P288-Q291 VanDerWaalsContact O-N 3.14Å; P288-R292 WeakPolarHBondContact O-CG 3.4Å; P288-R292 PolarHBondContact O-N 3.08Å
289	L	82.3	Confident	86.2	Confident	72 Å²	72	66.8 Å²	66.8	38%	0.377	34%	0.338	S	S	.	.	H	α-helix	trans	-56.7	-41.5	-177.3	179.1	61.1	0	0	0	112.6	Q291 R292 R293 L298	L289-Q291 VanDerWaalsContact C-N 3.35Å; L289-Q291 PolarHBondContact O-N 3.36Å; L289-R292 PolarHBondContact O-N 3.35Å; L289-R293 HydrophobicContact CD1-CG 4.47Å; L289-R293 WeakPolarHBondContact O-CG 3.48Å; L289-R293 PolarHBondContact O-N 2.71Å; L289-L298 HydrophobicContact CD1-CD1 3.86Å; L289-L298 HydrophobicContact CD1-CD2 4.03Å
290	E	78.9	Confident	86.3	Confident	164 Å²	164	68.4 Å²	68.4	77%	0.766	34%	0.344	S	S	*	.	H	α-helix	trans	-61.4	-44.7	178.6	-63.4	-178.7	172.8	0	0	111.5	P288 R293 A294	P288-E290 VanDerWaalsContact C-N 3.29Å; P288-E290 PolarHBondContact O-N 3.44Å; E290-R293 PolarHBondContact O-N 3.2Å; E290-A294 WeakPolarHBondContact O-CB 3.16Å; E290-A294 PolarHBondContact O-N 3.03Å
291	Q	82.8	Confident	86.5	Confident	87 Å²	87	71.4 Å²	71.4	41%	0.407	36%	0.357	S	S	.	.	H	α-helix	trans	-66.1	-39.6	176.8	-168.4	-175.7	8.8	0	0	111.4	R287 P288 L289 R293 A294 Q295	R287-Q291 HydrophobicContact CG-CB 4.06Å; R287-Q291 HydrophobicContact CG-CG 4.07Å; R287-Q291 VanDerWaalsContact CG-OE1 3.28Å; P288-Q291 HydrophobicContact CB-CB 4.35Å; P288-Q291 PolarHBondContact O-N 2.65Å; P288-Q291 VanDerWaalsContact O-N 3.14Å; L289-Q291 VanDerWaalsContact C-N 3.35Å; L289-Q291 PolarHBondContact O-N 3.36Å; Q291-R293 VanDerWaalsContact C-N 3.34Å; Q291-R293 PolarHBondContact O-N 2.79Å; Q291-A294 PolarHBondContact O-N 3.01Å; Q291-Q295 WeakPolarHBondContact O-CB 3.28Å; Q291-Q295 WeakPolarHBondContact O-CG 3.27Å; Q291-Q295 PolarHBondContact O-N 3.34Å; Q291-Q295 VanDerWaalsContact O-N 3.1Å
292	R	84.3	Confident	86.7	Confident	14 Å²	14	67.6 Å²	67.6	5%	0.053	34%	0.344	C	S	.	.	H	α-helix	trans	-60.4	-42.5	174.7	-71.5	-170	-78	149.4	-9.6	112	D226 R287 P288 L289 G296 K297 L298 H338	D226-R292 IonicContact OD1-NH1 3.54Å; R287-R292 HydrophobicContact CB-CG 3.81Å; R287-R292 HydrophobicContact CG-CG 3.9Å; R287-R292 PolarHBondContact O-NE 3.43Å; P288-R292 WeakPolarHBondContact O-CG 3.4Å; P288-R292 PolarHBondContact O-N 3.08Å; L289-R292 PolarHBondContact O-N 3.35Å; R292-G296 PolarHBondContact O-N 3.17Å; R292-K297 PolarHBondContact O-N 2.99Å; R292-L298 HydrophobicContact CB-CB 4.38Å; R292-L298 HydrophobicContact CB-CD1 4.26Å; R292-L298 VanDerWaalsContact NH1-CD1 3.27Å; R292-L298 PolarHBondContact O-N 2.99Å; R292-H338 WeakPolarHBondContact CD-O 3.46Å; R292-H338 PolarHBondContact NH1-O 2.9Å
293	R	81.3	Confident	86.9	Confident	161 Å²	161	69.3 Å²	69.3	61%	0.608	35%	0.354	S	S	*	.	H	α-helix	trans	-65.8	-50	175.9	-73.2	178.4	-179.1	169	-0.7	111.9	L289 E290 Q291 Q295 G296 L298	L289-R293 HydrophobicContact CD1-CG 4.47Å; L289-R293 WeakPolarHBondContact O-CG 3.48Å; L289-R293 PolarHBondContact O-N 2.71Å; E290-R293 PolarHBondContact O-N 3.2Å; Q291-R293 VanDerWaalsContact C-N 3.34Å; Q291-R293 PolarHBondContact O-N 2.79Å; R293-Q295 PolarHBondContact O-N 2.89Å; R293-G296 PolarHBondContact O-N 2.65Å; R293-L298 HydrophobicContact CG-CD2 3.71Å
294	A	78.8	Confident	87.3	Confident	90 Å²	90	67.9 Å²	67.9	74%	0.744	35%	0.348	S	S	*	.	H	α-helix	trans	-59.8	-32.3	-178.4	0	0	0	0	0	112.9	E290 Q291	E290-A294 WeakPolarHBondContact O-CB 3.16Å; E290-A294 PolarHBondContact O-N 3.03Å; Q291-A294 PolarHBondContact O-N 3.01Å
295	Q	83.8	Confident	87.8	Confident	84 Å²	84	64.7 Å²	64.7	39%	0.393	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.4	178.4	-66.2	-179.9	6.4	0	0	114.1	Q291 R293 K297	Q291-Q295 WeakPolarHBondContact O-CB 3.28Å; Q291-Q295 WeakPolarHBondContact O-CG 3.27Å; Q291-Q295 PolarHBondContact O-N 3.34Å; Q291-Q295 VanDerWaalsContact O-N 3.1Å; R293-Q295 PolarHBondContact O-N 2.89Å; Q295-K297 HydrophobicContact CB-CB 4.41Å; Q295-K297 HydrophobicContact CB-CD 4.12Å; Q295-K297 HydrophobicContact CB-CG 4.05Å; Q295-K297 PolarHBondContact O-N 3.17Å
296	G	80.4	Confident	88	Confident	64 Å²	64	66.2 Å²	66.2	66%	0.66	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	19.7	-174.9	0	0	0	0	0	114.1	R292 R293	R292-G296 PolarHBondContact O-N 3.17Å; R293-G296 PolarHBondContact O-N 2.65Å
297	K	80.3	Confident	88.4	Confident	84 Å²	84	65.4 Å²	65.4	37%	0.365	34%	0.34	S	S	.	.			trans	-98.1	0.9	-173.9	-72.3	-177.4	-177.9	176.2	0	114.1	R292 Q295 F299 Q300	R292-K297 PolarHBondContact O-N 2.99Å; Q295-K297 HydrophobicContact CB-CB 4.41Å; Q295-K297 HydrophobicContact CB-CD 4.12Å; Q295-K297 HydrophobicContact CB-CG 4.05Å; Q295-K297 PolarHBondContact O-N 3.17Å; K297-F299 VanDerWaalsContact C-N 3.33Å; K297-F299 PolarHBondContact O-N 3.48Å; K297-Q300 PolarHBondContact O-NE2 2.94Å
298	L	86.4	Confident	88.9	Confident	17 Å²	17	69.1 Å²	69.1	9%	0.089	36%	0.357	C	S	.	.	S	Bend	trans	-70.3	-26.9	-176.5	-175.4	60.6	0	0	0	113.2	L289 R292 R293 H338	L289-L298 HydrophobicContact CD1-CD1 3.86Å; L289-L298 HydrophobicContact CD1-CD2 4.03Å; R292-L298 HydrophobicContact CB-CB 4.38Å; R292-L298 HydrophobicContact CB-CD1 4.26Å; R292-L298 VanDerWaalsContact NH1-CD1 3.27Å; R292-L298 PolarHBondContact O-N 2.99Å; R293-L298 HydrophobicContact CG-CD2 3.71Å; L298-H338 HydrophobicContact CD1-CB 4.43Å; L298-H338 WeakPolarHBondContact O-CA 3.42Å; L298-H338 PolarHBondContact O-ND1 2.97Å; L298-H338 VanDerWaalsContact O-ND1 3.1Å
299	F	91.1	Very high	89.5	Confident	97 Å²	97	74.8 Å²	74.8	43%	0.425	38%	0.379	S	S	.	.	S	Bend	trans	-128.7	79.2	-175.9	-62	-69.3	0	0	0	110.5	P215 K297 V336 H338	P215-F299 HydrophobicContact CB-CB 4.31Å; P215-F299 HydrophobicContact CB-CD1 3.75Å; P215-F299 HydrophobicContact CB-CD2 3.95Å; P215-F299 HydrophobicContact CB-CE1 3.96Å; P215-F299 HydrophobicContact CB-CE2 4.16Å; P215-F299 HydrophobicContact CB-CG 3.74Å; P215-F299 HydrophobicContact CB-CZ 4.16Å; P215-F299 HydrophobicContact CG-CB 3.91Å; P215-F299 HydrophobicContact CG-CD1 3.82Å; P215-F299 HydrophobicContact CG-CD2 4.48Å; P215-F299 HydrophobicContact CG-CE1 4.45Å; P215-F299 HydrophobicContact CG-CG 3.83Å; K297-F299 VanDerWaalsContact C-N 3.33Å; K297-F299 PolarHBondContact O-N 3.48Å; F299-V336 HydrophobicContact CB-CG1 4.49Å; F299-V336 HydrophobicContact CD1-CG1 3.96Å; F299-H338 AromaticContact CD1-CE1 3.95Å; F299-H338 AromaticContact CE1-CE1 3.68Å
300	Q	93.2	Very high	90.2	Very high	57 Å²	57	74 Å²	74	27%	0.266	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.4	179.7	-69.2	175.4	78.9	0	0	110.4	K297 V336 V337 V340	K297-Q300 PolarHBondContact O-NE2 2.94Å; Q300-V336 CarbonylContact O-C 3.58Å; Q300-V337 PolarHBondContact N-O 2.83Å; Q300-V337 PolarHBondContact O-N 3.16Å; Q300-V340 HydrophobicContact CB-CG2 4.08Å; Q300-V340 HydrophobicContact CG-CG2 4.42Å
301	M	94.6	Very high	91.1	Very high	84 Å²	84	66.2 Å²	66.2	41%	0.414	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	122.9	177.1	-61.7	-57.5	-65	0	0	110	S334 L335 V336	M301-S334 WeakPolarHBondContact CE-OG 3.47Å; M301-L335 WeakPolarHBondContact CA-O 3.21Å; M301-V336 HydrophobicContact CE-CG2 4.25Å; M301-V336 HydrophobicContact SD-CB 4.39Å; M301-V336 HydrophobicContact SD-CG2 3.47Å; M301-V336 WeakPolarHBondContact SD-CG2 3.32Å
302	V	96.2	Very high	91.8	Very high	13 Å²	13	65.3 Å²	65.3	8%	0.079	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	163.5	178	-51.5	0	0	0	0	109.6	Q306 L307 M310 S334 L335 V337	V302-Q306 HydrophobicContact CB-CB 4.3Å; V302-L307 HydrophobicContact CG2-CB 4.24Å; V302-M310 HydrophobicContact CB-CE 4.02Å; V302-M310 HydrophobicContact CG1-CE 3.8Å; V302-M310 HydrophobicContact CG2-CE 4.35Å; V302-S334 CarbonylContact O-C 3.58Å; V302-S334 WeakPolarHBondContact O-CA 3.4Å; V302-S334 PolarHBondContact O-OG 3.29Å; V302-L335 HydrophobicContact CG2-CD1 3.33Å; V302-L335 HydrophobicContact CG2-CG 3.96Å; V302-L335 PolarHBondContact N-O 2.77Å; V302-L335 PolarHBondContact O-N 3.47Å; V302-V337 HydrophobicContact CG2-CG2 3.6Å
303	T	98.2	Very high	92.4	Very high	37 Å²	37	65 Å²	65	23%	0.227	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	164.2	169.6	66.4	0	0	0	0	111.6	D305 Q306 L307 Q333	T303-D305 PolarHBondContact O-N 2.5Å; T303-Q306 PolarHBondContact O-N 3.12Å; T303-Q306 VanDerWaalsContact OG1-CG 3.29Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.4Å; T303-Q306 PolarHBondContact OG1-N 2.86Å; T303-Q306 VanDerWaalsContact OG1-N 3.11Å; T303-L307 WeakPolarHBondContact O-CB 3.49Å; T303-L307 PolarHBondContact O-N 3.15Å; T303-Q333 CarbonylContact C-O 3Å; T303-Q333 WeakPolarHBondContact CA-O 3.14Å
304	I	98.2	Very high	93.2	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.015	31%	0.312	C	S	.	.	H	α-helix	trans	-57.4	-40.2	172.3	-67.1	179.6	0	0	0	110.9	L307 K308 W316 L317 L320 L329 P331 Q333 L335	I304-L307 PolarHBondContact O-N 2.68Å; I304-K308 WeakPolarHBondContact O-CB 3.29Å; I304-K308 PolarHBondContact O-N 3.49Å; I304-W316 HydrophobicContact CG2-CB 4.1Å; I304-L317 HydrophobicContact CD1-CD1 4.06Å; I304-L317 HydrophobicContact CG2-CB 3.98Å; I304-L317 HydrophobicContact CG2-CD1 4.41Å; I304-L320 HydrophobicContact CD1-CD1 3.98Å; I304-L320 HydrophobicContact CG1-CD1 4.08Å; I304-L329 HydrophobicContact CD1-CB 4.23Å; I304-L329 HydrophobicContact CD1-CD1 4.35Å; I304-P331 WeakPolarHBondContact CB-O 3.34Å; I304-P331 PolarHBondContact N-O 2.87Å; I304-Q333 HydrophobicContact CD1-CB 3.89Å; I304-Q333 HydrophobicContact CD1-CG 4.39Å; I304-Q333 HydrophobicContact CG1-CB 4.26Å; I304-Q333 PolarHBondContact N-O 2.78Å; I304-L335 HydrophobicContact CG1-CD2 3.72Å
305	D	98.1	Very high	94	Very high	73 Å²	73	56.2 Å²	56.2	39%	0.39	29%	0.293	S	S	.	.	H	α-helix	trans	-64.1	-46.7	176.1	-85.7	-21.1	0	0	0	112.9	T303 L307 K308 E309 P331	T303-D305 PolarHBondContact O-N 2.5Å; D305-L307 VanDerWaalsContact C-N 3.27Å; D305-L307 PolarHBondContact O-N 2.84Å; D305-K308 WeakPolarHBondContact O-CB 3.43Å; D305-K308 PolarHBondContact O-N 3.26Å; D305-K308 VanDerWaalsContact O-N 3.13Å; D305-E309 PolarHBondContact O-N 3.41Å; D305-P331 PolarHBondContact N-O 3.02Å; D305-P331 VanDerWaalsContact OD1-CB 3.3Å; D305-P331 WeakPolarHBondContact OD1-CB 3.46Å; D305-P331 WeakPolarHBondContact OD2-CB 3.46Å
306	Q	98.3	Very high	94.7	Very high	90 Å²	90	52.2 Å²	52.2	42%	0.421	27%	0.274	S	S	.	.	H	α-helix	trans	-60.6	-41.1	175.6	-73.4	171.9	-23.8	0	0	111	V302 T303 K308 E309 M310	V302-Q306 HydrophobicContact CB-CB 4.3Å; T303-Q306 PolarHBondContact O-N 3.12Å; T303-Q306 VanDerWaalsContact OG1-CG 3.29Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.4Å; T303-Q306 PolarHBondContact OG1-N 2.86Å; T303-Q306 VanDerWaalsContact OG1-N 3.11Å; Q306-K308 VanDerWaalsContact C-N 3.3Å; Q306-K308 PolarHBondContact O-N 3.06Å; Q306-E309 PolarHBondContact O-N 3.38Å; Q306-M310 VanDerWaalsContact C-CE 3.44Å; Q306-M310 HydrophobicContact CB-CE 3.91Å; Q306-M310 WeakPolarHBondContact O-CE 3.5Å; Q306-M310 WeakPolarHBondContact O-CG 3.46Å; Q306-M310 PolarHBondContact O-N 3.38Å
307	L	97.6	Very high	95.5	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-39.1	176.6	-178.1	59.4	0	0	0	111.8	I225 V302 T303 I304 D305 M310 A311 W316 L335 V337 L343	I225-L307 HydrophobicContact CG1-CD2 4.3Å; V302-L307 HydrophobicContact CG2-CB 4.24Å; T303-L307 WeakPolarHBondContact O-CB 3.49Å; T303-L307 PolarHBondContact O-N 3.15Å; I304-L307 PolarHBondContact O-N 2.68Å; D305-L307 VanDerWaalsContact C-N 3.27Å; D305-L307 PolarHBondContact O-N 2.84Å; L307-M310 PolarHBondContact O-N 2.95Å; L307-A311 PolarHBondContact O-N 3.37Å; L307-W316 HydrophobicContact CD1-CH2 4.49Å; L307-W316 HydrophobicContact CD1-CZ2 4.11Å; L307-W316 HydrophobicContact CD2-CD2 3.53Å; L307-W316 HydrophobicContact CD2-CE3 3.47Å; L307-W316 VanDerWaalsContact CD2-CE3 3.47Å; L307-W316 HydrophobicContact CD2-CG 4.14Å; L307-W316 HydrophobicContact CD2-CH2 4.07Å; L307-W316 HydrophobicContact CD2-CZ2 4.13Å; L307-W316 HydrophobicContact CD2-CZ3 3.74Å; L307-W316 HydrophobicContact CG-CD2 3.76Å; L307-W316 HydrophobicContact CG-CE3 4.21Å; L307-W316 HydrophobicContact CG-CG 4.14Å; L307-W316 HydrophobicContact CG-CH2 4.43Å; L307-W316 HydrophobicContact CG-CZ2 4.02Å; L307-L335 HydrophobicContact CD2-CD1 4.07Å; L307-L335 HydrophobicContact CD2-CD2 3.79Å; L307-V337 HydrophobicContact CD1-CG2 4.29Å; L307-L343 HydrophobicContact CD1-CD1 3.74Å
308	K	97.8	Very high	96.3	Very high	116 Å²	116	49.3 Å²	49.3	50%	0.504	25%	0.249	S	C	.	.	H	α-helix	trans	-64.5	-38.4	174.3	-178.7	-177.5	174.5	-175.7	0	112.6	I304 D305 Q306 A311 P312	I304-K308 WeakPolarHBondContact O-CB 3.29Å; I304-K308 PolarHBondContact O-N 3.49Å; D305-K308 WeakPolarHBondContact O-CB 3.43Å; D305-K308 PolarHBondContact O-N 3.26Å; D305-K308 VanDerWaalsContact O-N 3.13Å; Q306-K308 VanDerWaalsContact C-N 3.3Å; Q306-K308 PolarHBondContact O-N 3.06Å; K308-A311 CarbonylContact O-C 3.54Å; K308-P312 WeakPolarHBondContact O-CA 3.41Å
309	E	97.8	Very high	96.8	Very high	160 Å²	160	48.5 Å²	48.5	75%	0.748	25%	0.245	S	C	*	.	H	α-helix	trans	-65.9	-39.2	174.4	-69.2	176.2	174.6	0	0	112	D305 Q306	D305-E309 PolarHBondContact O-N 3.41Å; Q306-E309 PolarHBondContact O-N 3.38Å
310	M	97.2	Very high	97.1	Very high	56 Å²	56	43.9 Å²	43.9	28%	0.276	23%	0.225	S	C	.	.	H	α-helix	trans	-75.3	-34.3	-179.9	-71.4	-178.6	-84.7	0	0	113.6	V302 Q306 L307 V340 K344	V302-M310 HydrophobicContact CB-CE 4.02Å; V302-M310 HydrophobicContact CG1-CE 3.8Å; V302-M310 HydrophobicContact CG2-CE 4.35Å; Q306-M310 VanDerWaalsContact C-CE 3.44Å; Q306-M310 HydrophobicContact CB-CE 3.91Å; Q306-M310 WeakPolarHBondContact O-CE 3.5Å; Q306-M310 WeakPolarHBondContact O-CG 3.46Å; Q306-M310 PolarHBondContact O-N 3.38Å; L307-M310 PolarHBondContact O-N 2.95Å; M310-V340 HydrophobicContact SD-CG1 3.68Å; M310-K344 HydrophobicContact CB-CG 4.41Å; M310-K344 WeakPolarHBondContact O-CG 3.44Å
311	A	97.8	Very high	97.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.			trans	-135.6	71.8	-175.4	0	0	0	0	0	110.7	L307 K308 A313 W316 L343 S347	L307-A311 PolarHBondContact O-N 3.37Å; K308-A311 CarbonylContact O-C 3.54Å; A311-A313 VanDerWaalsContact C-N 3.28Å; A311-A313 PolarHBondContact O-N 2.85Å; A311-W316 HydrophobicContact CB-CZ2 3.85Å; A311-W316 PolarHBondContact O-NE1 3.44Å; A311-L343 HydrophobicContact CB-CB 4.37Å; A311-S347 WeakPolarHBondContact CA-OG 3.23Å
312	P	97.4	Very high	97.3	Very high	69 Å²	69	41.5 Å²	41.5	45%	0.448	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-13	-168.5	27.8	-37.4	0	0	0	115.8	K308 I314 S347	K308-P312 WeakPolarHBondContact O-CA 3.41Å; P312-I314 PolarHBondContact O-N 3.46Å; P312-I314 VanDerWaalsContact O-N 3.16Å; P312-S347 VanDerWaalsContact CD-OG 3.25Å; P312-S347 WeakPolarHBondContact CD-OG 3.42Å; P312-S347 VanDerWaalsContact N-OG 3.13Å
313	A	96.8	Very high	97.2	Very high	7 Å²	7	41.1 Å²	41.1	6%	0.058	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.2	-178.1	0	0	0	0	0	113.7	A311 S347 V350 E351	A311-A313 VanDerWaalsContact C-N 3.28Å; A311-A313 PolarHBondContact O-N 2.85Å; A313-S347 WeakPolarHBondContact CB-O 2.95Å; A313-S347 VanDerWaalsContact CB-OG 3.23Å; A313-S347 WeakPolarHBondContact CB-OG 3.25Å; A313-S347 PolarHBondContact N-OG 3.49Å; A313-V350 HydrophobicContact CB-CB 3.89Å; A313-V350 HydrophobicContact CB-CG1 3.79Å; A313-E351 HydrophobicContact CB-CG 3.83Å
314	I	97.1	Very high	97	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.206	C	C	.	.	S	Bend	trans	-105.5	132.9	-172.4	-48	-54.3	0	0	0	110	F190 L194 F207 P312 W316 M346	F190-I314 HydrophobicContact CE1-CD1 3.73Å; F190-I314 HydrophobicContact CZ-CD1 3.92Å; L194-I314 HydrophobicContact CD2-CD1 3.8Å; L194-I314 HydrophobicContact CD2-CG2 4.05Å; F207-I314 HydrophobicContact CE1-CD1 4.27Å; F207-I314 HydrophobicContact CE1-CG1 4.04Å; F207-I314 HydrophobicContact CE1-CG2 3.96Å; F207-I314 HydrophobicContact CZ-CG2 4.04Å; P312-I314 PolarHBondContact O-N 3.46Å; P312-I314 VanDerWaalsContact O-N 3.16Å; I314-W316 HydrophobicContact CB-CD2 4.04Å; I314-W316 HydrophobicContact CB-CG 4.29Å; I314-W316 HydrophobicContact CB-CZ2 4.07Å; I314-W316 HydrophobicContact CG1-CH2 4.48Å; I314-W316 HydrophobicContact CG1-CZ2 3.95Å; I314-W316 HydrophobicContact CG2-CD2 3.99Å; I314-W316 HydrophobicContact CG2-CE3 4.24Å; I314-W316 HydrophobicContact CG2-CG 4.31Å; I314-W316 PolarHBondContact O-N 3.38Å; I314-M346 HydrophobicContact CD1-SD 4.42Å; I314-M346 HydrophobicContact CG1-CE 4.23Å
315	D	96.6	Very high	96.6	Very high	64 Å²	64	43.3 Å²	43.3	34%	0.342	23%	0.228	S	C	.	.			trans	-75.3	74.5	165.8	-175	3.2	0	0	0	110.1	N191 L317 S318 C319	N191-D315 HydrophobicContact CB-CB 4.04Å; N191-D315 PolarHBondContact OD1-N 2.87Å; D315-L317 PolarHBondContact O-N 3.04Å; D315-S318 PolarHBondContact O-N 3.44Å; D315-S318 VanDerWaalsContact OD1-CB 3.25Å; D315-S318 WeakPolarHBondContact OD1-CB 3.44Å; D315-S318 WeakPolarHBondContact OD2-CB 3.36Å; D315-S318 PolarHBondContact OD2-OG 3.38Å; D315-C319 WeakPolarHBondContact O-CB 3.15Å; D315-C319 PolarHBondContact O-N 3.36Å; D315-C319 PolarHBondContact O-SG 2.87Å
316	W	97.9	Very high	96.2	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-55.3	-51.1	-170.6	-70.6	101.8	0	0	0	113.2	F207 I225 I304 L307 A311 I314 S318 C319 L320 L343 M346	F207-W316 AromaticContact CD1-CH2 3.92Å; F207-W316 HydrophobicContact CD1-CH2 3.92Å; F207-W316 HydrophobicContact CD1-CZ3 4.23Å; F207-W316 HydrophobicContact CD2-CH2 4.06Å; F207-W316 AromaticContact CD2-CZ3 3.74Å; F207-W316 HydrophobicContact CD2-CZ3 3.74Å; F207-W316 AromaticContact CE1-CH2 3.91Å; F207-W316 HydrophobicContact CE1-CH2 3.91Å; F207-W316 AromaticContact CE1-CZ3 3.93Å; F207-W316 HydrophobicContact CE1-CZ3 3.93Å; F207-W316 HydrophobicContact CE2-CE3 4.22Å; F207-W316 HydrophobicContact CE2-CH2 4.06Å; F207-W316 AromaticContact CE2-CZ3 3.4Å; F207-W316 HydrophobicContact CE2-CZ3 3.4Å; F207-W316 HydrophobicContact CG-CH2 4.01Å; F207-W316 HydrophobicContact CG-CZ3 4.16Å; F207-W316 HydrophobicContact CZ-CE3 4.12Å; F207-W316 AromaticContact CZ-CH2 3.99Å; F207-W316 HydrophobicContact CZ-CH2 3.99Å; F207-W316 AromaticContact CZ-CZ3 3.5Å; F207-W316 HydrophobicContact CZ-CZ3 3.5Å; I225-W316 HydrophobicContact CD1-CZ3 4.45Å; I225-W316 HydrophobicContact CG2-CH2 4.27Å; I225-W316 HydrophobicContact CG2-CZ3 4.15Å; I304-W316 HydrophobicContact CG2-CB 4.1Å; L307-W316 HydrophobicContact CD1-CH2 4.49Å; L307-W316 HydrophobicContact CD1-CZ2 4.11Å; L307-W316 HydrophobicContact CD2-CD2 3.53Å; L307-W316 HydrophobicContact CD2-CE3 3.47Å; L307-W316 VanDerWaalsContact CD2-CE3 3.47Å; L307-W316 HydrophobicContact CD2-CG 4.14Å; L307-W316 HydrophobicContact CD2-CH2 4.07Å; L307-W316 HydrophobicContact CD2-CZ2 4.13Å; L307-W316 HydrophobicContact CD2-CZ3 3.74Å; L307-W316 HydrophobicContact CG-CD2 3.76Å; L307-W316 HydrophobicContact CG-CE3 4.21Å; L307-W316 HydrophobicContact CG-CG 4.14Å; L307-W316 HydrophobicContact CG-CH2 4.43Å; L307-W316 HydrophobicContact CG-CZ2 4.02Å; A311-W316 HydrophobicContact CB-CZ2 3.85Å; A311-W316 PolarHBondContact O-NE1 3.44Å; I314-W316 HydrophobicContact CB-CD2 4.04Å; I314-W316 HydrophobicContact CB-CG 4.29Å; I314-W316 HydrophobicContact CB-CZ2 4.07Å; I314-W316 HydrophobicContact CG1-CH2 4.48Å; I314-W316 HydrophobicContact CG1-CZ2 3.95Å; I314-W316 HydrophobicContact CG2-CD2 3.99Å; I314-W316 HydrophobicContact CG2-CE3 4.24Å; I314-W316 HydrophobicContact CG2-CG 4.31Å; I314-W316 PolarHBondContact O-N 3.38Å; W316-S318 PolarHBondContact O-N 2.93Å; W316-C319 PolarHBondContact O-N 3.23Å; W316-L320 HydrophobicContact CE3-CD1 4.48Å; W316-L320 VanDerWaalsContact O-CB 3.32Å; W316-L320 WeakPolarHBondContact O-CB 3.31Å; W316-L320 WeakPolarHBondContact O-CG 3.37Å; W316-L320 PolarHBondContact O-N 3.48Å; W316-L343 HydrophobicContact CH2-CD1 4.41Å; W316-L343 HydrophobicContact CH2-CD2 4.29Å; W316-M346 HydrophobicContact CH2-CE 4.49Å; W316-M346 HydrophobicContact CZ2-CE 4.43Å
317	L	97.6	Very high	95.8	Very high	61 Å²	61	40.3 Å²	40.3	32%	0.319	22%	0.218	S	C	.	.	H	α-helix	trans	-59.3	-48.2	-177.8	-179	61.5	0	0	0	111.1	I304 D315 Q321 L329 P331	I304-L317 HydrophobicContact CD1-CD1 4.06Å; I304-L317 HydrophobicContact CG2-CB 3.98Å; I304-L317 HydrophobicContact CG2-CD1 4.41Å; D315-L317 PolarHBondContact O-N 3.04Å; L317-Q321 WeakPolarHBondContact O-CB 3.31Å; L317-Q321 PolarHBondContact O-N 2.86Å; L317-L329 HydrophobicContact CD1-CB 4.04Å; L317-P331 HydrophobicContact CD2-CG 4.05Å
318	S	96.9	Very high	95.6	Very high	26 Å²	26	45.2 Å²	45.2	18%	0.182	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-43.5	179.4	-177.1	0	0	0	0	112.5	R195 D315 W316 A322	R195-S318 WeakPolarHBondContact CD-O 3.46Å; R195-S318 WeakPolarHBondContact CD-OG 3.25Å; R195-S318 PolarHBondContact NH1-OG 2.9Å; D315-S318 PolarHBondContact O-N 3.44Å; D315-S318 VanDerWaalsContact OD1-CB 3.25Å; D315-S318 WeakPolarHBondContact OD1-CB 3.44Å; D315-S318 WeakPolarHBondContact OD2-CB 3.36Å; D315-S318 PolarHBondContact OD2-OG 3.38Å; W316-S318 PolarHBondContact O-N 2.93Å; S318-A322 WeakPolarHBondContact O-CB 3.11Å; S318-A322 PolarHBondContact O-N 3.13Å; S318-A322 VanDerWaalsContact O-N 3.16Å
319	C	96.6	Very high	95.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-48.5	178.5	-68.5	0	0	0	0	111.5	M198 D315 W316 A322 T323	M198-C319 HydrophobicContact CE-CB 4.09Å; M198-C319 HydrophobicContact SD-CB 3.95Å; D315-C319 WeakPolarHBondContact O-CB 3.15Å; D315-C319 PolarHBondContact O-N 3.36Å; D315-C319 PolarHBondContact O-SG 2.87Å; W316-C319 PolarHBondContact O-N 3.23Å; C319-A322 PolarHBondContact O-N 3.22Å; C319-T323 VanDerWaalsContact O-CB 3.23Å; C319-T323 WeakPolarHBondContact O-CB 3.29Å; C319-T323 PolarHBondContact O-N 3.45Å; C319-T323 PolarHBondContact O-OG1 2.95Å
320	L	97.1	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.1	-40.8	-179.4	-62.4	172.7	0	0	0	111.2	A209 I223 I225 I304 W316 A322 T323 F324 L329 L335	A209-L320 HydrophobicContact CB-CD2 3.86Å; I223-L320 HydrophobicContact CG2-CD2 4.43Å; I225-L320 HydrophobicContact CD1-CD2 3.84Å; I304-L320 HydrophobicContact CD1-CD1 3.98Å; I304-L320 HydrophobicContact CG1-CD1 4.08Å; W316-L320 HydrophobicContact CE3-CD1 4.48Å; W316-L320 VanDerWaalsContact O-CB 3.32Å; W316-L320 WeakPolarHBondContact O-CB 3.31Å; W316-L320 WeakPolarHBondContact O-CG 3.37Å; W316-L320 PolarHBondContact O-N 3.48Å; L320-A322 VanDerWaalsContact C-N 3.35Å; L320-A322 PolarHBondContact O-N 3.34Å; L320-T323 PolarHBondContact O-N 3.15Å; L320-T323 VanDerWaalsContact O-N 3.15Å; L320-F324 HydrophobicContact CB-CD2 4.25Å; L320-F324 HydrophobicContact CB-CE2 4.46Å; L320-F324 HydrophobicContact CD2-CD2 4.39Å; L320-F324 HydrophobicContact CD2-CE2 3.77Å; L320-F324 VanDerWaalsContact O-CD2 3.26Å; L320-F324 WeakPolarHBondContact O-CD2 3.39Å; L320-F324 PolarHBondContact O-N 3.45Å; L320-L329 HydrophobicContact CB-CD1 3.61Å; L320-L335 HydrophobicContact CD1-CD2 4.28Å
321	Q	96.3	Very high	95.4	Very high	61 Å²	61	34.8 Å²	34.8	29%	0.285	22%	0.215	S	C	.	.	H	α-helix	trans	-60.2	-43.7	177.6	-178.2	58.9	64.1	0	0	111.7	L317 T325 M327	L317-Q321 WeakPolarHBondContact O-CB 3.31Å; L317-Q321 PolarHBondContact O-N 2.86Å; Q321-T325 PolarHBondContact O-N 3.16Å; Q321-T325 PolarHBondContact O-OG1 3.41Å; Q321-M327 PolarHBondContact NE2-O 3.39Å
322	A	95.3	Very high	95.4	Very high	29 Å²	29	38.9 Å²	38.9	24%	0.24	24%	0.244	C	C	.	.	H	α-helix	trans	-69.4	-36	175.6	0	0	0	0	0	112.5	R195 S199 S318 C319 L320	R195-A322 HydrophobicContact CG-CB 3.5Å; S199-A322 VanDerWaalsContact CB-O 3.29Å; S199-A322 WeakPolarHBondContact CB-O 3.05Å; S318-A322 WeakPolarHBondContact O-CB 3.11Å; S318-A322 PolarHBondContact O-N 3.13Å; S318-A322 VanDerWaalsContact O-N 3.16Å; C319-A322 PolarHBondContact O-N 3.22Å; L320-A322 VanDerWaalsContact C-N 3.35Å; L320-A322 PolarHBondContact O-N 3.34Å
323	T	94.9	Very high	95.3	Very high	6 Å²	6	39.1 Å²	39.1	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-69	-37	-178.4	-63.9	0	0	0	0	112.3	M198 F204 C319 L320 R516	M198-T323 WeakPolarHBondContact CB-OG1 3.46Å; F204-T323 HydrophobicContact CE1-CG2 4.2Å; F204-T323 HydrophobicContact CZ-CG2 4.11Å; C319-T323 VanDerWaalsContact O-CB 3.23Å; C319-T323 WeakPolarHBondContact O-CB 3.29Å; C319-T323 PolarHBondContact O-N 3.45Å; C319-T323 PolarHBondContact O-OG1 2.95Å; L320-T323 PolarHBondContact O-N 3.15Å; L320-T323 VanDerWaalsContact O-N 3.15Å; T323-R516 PolarHBondContact O-NH2 2.85Å
324	F	94.2	Very high	95.3	Very high	7 Å²	7	41 Å²	41	3%	0.031	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	24.7	-173.7	-59.8	-65.9	0	0	0	113.5	A209 L211 I223 L320 M327 L329 V520	A209-F324 HydrophobicContact CB-CE2 4.11Å; A209-F324 HydrophobicContact CB-CZ 3.94Å; L211-F324 HydrophobicContact CD1-CD1 4.05Å; L211-F324 HydrophobicContact CD1-CE1 4.35Å; L211-F324 HydrophobicContact CG-CD1 3.97Å; L211-F324 HydrophobicContact CG-CE1 3.83Å; I223-F324 HydrophobicContact CB-CE2 4.41Å; I223-F324 HydrophobicContact CD1-CD2 3.6Å; I223-F324 HydrophobicContact CD1-CE2 3.8Å; I223-F324 HydrophobicContact CD1-CG 4.25Å; I223-F324 HydrophobicContact CG1-CD2 4.08Å; I223-F324 HydrophobicContact CG1-CE2 3.89Å; I223-F324 HydrophobicContact CG1-CZ 4.21Å; I223-F324 HydrophobicContact CG2-CE2 3.64Å; I223-F324 HydrophobicContact CG2-CZ 3.93Å; L320-F324 HydrophobicContact CB-CD2 4.25Å; L320-F324 HydrophobicContact CB-CE2 4.46Å; L320-F324 HydrophobicContact CD2-CD2 4.39Å; L320-F324 HydrophobicContact CD2-CE2 3.77Å; L320-F324 VanDerWaalsContact O-CD2 3.26Å; L320-F324 WeakPolarHBondContact O-CD2 3.39Å; L320-F324 PolarHBondContact O-N 3.45Å; F324-M327 HydrophobicContact CB-CB 4.39Å; F324-M327 WeakPolarHBondContact O-CA 3.42Å; F324-M327 WeakPolarHBondContact O-CB 3.38Å; F324-M327 PolarHBondContact O-N 3.01Å; F324-L329 HydrophobicContact CD2-CD1 4.48Å; F324-V520 HydrophobicContact CB-CG2 4.36Å; F324-V520 HydrophobicContact CD1-CG2 4.15Å; F324-V520 VanDerWaalsContact O-CG1 3.23Å; F324-V520 WeakPolarHBondContact O-CG1 3.24Å
325	T	90.3	Very high	95.2	Very high	78 Å²	78	41 Å²	41	48%	0.479	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	134.8	171	-66.4	0	0	0	0	109.9	Q321	Q321-T325 PolarHBondContact O-N 3.16Å; Q321-T325 PolarHBondContact O-OG1 3.41Å
326	P	89.4	Confident	95.2	Very high	70 Å²	70	38 Å²	38	46%	0.455	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	cis	-95	15.1	13	38.1	-37.4	0	0	0	116.5	S328 Q521 L524	P326-S328 PolarHBondContact O-N 2.89Å; P326-Q521 HydrophobicContact CG-CG 4.09Å; P326-L524 HydrophobicContact CG-CD1 4.06Å
327	M	90.1	Very high	95.1	Very high	30 Å²	30	37.9 Å²	37.9	15%	0.148	24%	0.235	C	C	.	.	S	Bend	trans	-62	132.5	175.9	-172.8	179.5	-71.8	0	0	110.6	L211 I223 Q321 F324 L329 V520 L524	L211-M327 HydrophobicContact CD1-CE 4.34Å; L211-M327 HydrophobicContact CD2-CE 4.09Å; I223-M327 HydrophobicContact CD1-SD 4.32Å; Q321-M327 PolarHBondContact NE2-O 3.39Å; F324-M327 HydrophobicContact CB-CB 4.39Å; F324-M327 WeakPolarHBondContact O-CA 3.42Å; F324-M327 WeakPolarHBondContact O-CB 3.38Å; F324-M327 PolarHBondContact O-N 3.01Å; M327-L329 HydrophobicContact CG-CD2 3.76Å; M327-L329 HydrophobicContact SD-CD2 3.61Å; M327-V520 HydrophobicContact CB-CG1 4.11Å; M327-L524 HydrophobicContact CB-CD2 4.24Å; M327-L524 HydrophobicContact CE-CD2 3.79Å; M327-L524 HydrophobicContact CG-CD2 4.1Å
328	S	91.8	Very high	95	Very high	106 Å²	106	35.5 Å²	35.5	74%	0.741	22%	0.222	S	C	*	.			trans	-88.1	123	173.6	-172.4	0	0	0	0	109.7	P326	P326-S328 PolarHBondContact O-N 2.89Å
329	L	95.4	Very high	94.9	Very high	15 Å²	15	34.4 Å²	34.4	8%	0.079	22%	0.215	C	C	.	.			trans	-109.7	140.9	179.9	-54.3	-178.1	0	0	0	110.6	I223 I304 L317 L320 F324 M327 Q333	I223-L329 HydrophobicContact CD1-CD1 4.04Å; I223-L329 HydrophobicContact CD1-CD2 3.81Å; I304-L329 HydrophobicContact CD1-CB 4.23Å; I304-L329 HydrophobicContact CD1-CD1 4.35Å; L317-L329 HydrophobicContact CD1-CB 4.04Å; L320-L329 HydrophobicContact CB-CD1 3.61Å; F324-L329 HydrophobicContact CD2-CD1 4.48Å; M327-L329 HydrophobicContact CG-CD2 3.76Å; M327-L329 HydrophobicContact SD-CD2 3.61Å; L329-Q333 HydrophobicContact CD2-CG 4.18Å
330	S	96.8	Very high	94.8	Very high	46 Å²	46	34.9 Å²	34.9	32%	0.322	22%	0.217	S	C	.	.			trans	-110.2	160.8	170.7	67.2	0	0	0	0	110.6	S332 Q333	S330-S332 PolarHBondContact O-N 3.41Å; S330-S332 PolarHBondContact OG-OG 2.73Å; S330-Q333 WeakPolarHBondContact O-CB 3.26Å; S330-Q333 PolarHBondContact O-N 3.43Å; S330-Q333 PolarHBondContact OG-N 3.12Å
331	P	97.3	Very high	94.7	Very high	53 Å²	53	38.5 Å²	38.5	34%	0.344	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.7	172.9	-22.4	31.4	0	0	0	114	I304 D305 L317 Q333	I304-P331 WeakPolarHBondContact CB-O 3.34Å; I304-P331 PolarHBondContact N-O 2.87Å; D305-P331 PolarHBondContact N-O 3.02Å; D305-P331 VanDerWaalsContact OD1-CB 3.3Å; D305-P331 WeakPolarHBondContact OD1-CB 3.46Å; D305-P331 WeakPolarHBondContact OD2-CB 3.46Å; L317-P331 HydrophobicContact CD2-CG 4.05Å; P331-Q333 VanDerWaalsContact C-N 3.33Å; P331-Q333 PolarHBondContact O-N 3.37Å
332	S	97.4	Very high	94.7	Very high	86 Å²	86	35.7 Å²	35.7	60%	0.601	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-4.2	176.4	56.8	0	0	0	0	114.8	S330 S334	S330-S332 PolarHBondContact O-N 3.41Å; S330-S332 PolarHBondContact OG-OG 2.73Å; S332-S334 PolarHBondContact O-N 3.02Å
333	Q	96	Very high	94.8	Very high	74 Å²	74	34.4 Å²	34.4	35%	0.346	21%	0.21	S	C	.	.			trans	-59	127.5	-179.4	179.6	63.5	47.6	0	0	110.4	T303 I304 L329 S330 P331	T303-Q333 CarbonylContact C-O 3Å; T303-Q333 WeakPolarHBondContact CA-O 3.14Å; I304-Q333 HydrophobicContact CD1-CB 3.89Å; I304-Q333 HydrophobicContact CD1-CG 4.39Å; I304-Q333 HydrophobicContact CG1-CB 4.26Å; I304-Q333 PolarHBondContact N-O 2.78Å; L329-Q333 HydrophobicContact CD2-CG 4.18Å; S330-Q333 WeakPolarHBondContact O-CB 3.26Å; S330-Q333 PolarHBondContact O-N 3.43Å; S330-Q333 PolarHBondContact OG-N 3.12Å; P331-Q333 VanDerWaalsContact C-N 3.33Å; P331-Q333 PolarHBondContact O-N 3.37Å
334	S	95.4	Very high	94.9	Very high	46 Å²	46	37.2 Å²	37.2	32%	0.322	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	142.5	177.3	-167.2	0	0	0	0	111.5	M301 V302 S332	M301-S334 WeakPolarHBondContact CE-OG 3.47Å; V302-S334 CarbonylContact O-C 3.58Å; V302-S334 WeakPolarHBondContact O-CA 3.4Å; V302-S334 PolarHBondContact O-OG 3.29Å; S332-S334 PolarHBondContact O-N 3.02Å
335	L	96.3	Very high	95.1	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	160.7	179.6	60.8	86.2	0	0	0	110.6	I223 I225 M301 V302 I304 L307 L320 V337	I223-L335 HydrophobicContact CB-CB 4.35Å; I223-L335 HydrophobicContact CG2-CB 4.48Å; I223-L335 WeakPolarHBondContact O-CA 2.96Å; I223-L335 WeakPolarHBondContact O-CB 3.46Å; I225-L335 HydrophobicContact CG1-CD1 4.04Å; M301-L335 WeakPolarHBondContact CA-O 3.21Å; V302-L335 HydrophobicContact CG2-CD1 3.33Å; V302-L335 HydrophobicContact CG2-CG 3.96Å; V302-L335 PolarHBondContact N-O 2.77Å; V302-L335 PolarHBondContact O-N 3.47Å; I304-L335 HydrophobicContact CG1-CD2 3.72Å; L307-L335 HydrophobicContact CD2-CD1 4.07Å; L307-L335 HydrophobicContact CD2-CD2 3.79Å; L320-L335 HydrophobicContact CD1-CD2 4.28Å; L335-V337 HydrophobicContact CD1-CG2 3.37Å
336	V	96.6	Very high	95.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.9	174.8	177.7	0	0	0	0	109.1	V222 I223 Q224 I225 F299 Q300 M301	V222-V336 HydrophobicContact CB-CG2 4.43Å; V222-V336 HydrophobicContact CG1-CG2 3.61Å; V222-V336 HydrophobicContact CG2-CG2 3.94Å; I223-V336 PolarHBondContact O-N 3.04Å; Q224-V336 CarbonylContact C-O 3.44Å; Q224-V336 VanDerWaalsContact CA-O 3.32Å; Q224-V336 WeakPolarHBondContact CA-O 3.23Å; Q224-V336 HydrophobicContact CB-CB 4.38Å; Q224-V336 HydrophobicContact CG-CB 4.05Å; Q224-V336 HydrophobicContact CG-CG2 4.45Å; I225-V336 PolarHBondContact N-O 3.12Å; F299-V336 HydrophobicContact CB-CG1 4.49Å; F299-V336 HydrophobicContact CD1-CG1 3.96Å; Q300-V336 CarbonylContact O-C 3.58Å; M301-V336 HydrophobicContact CE-CG2 4.25Å; M301-V336 HydrophobicContact SD-CB 4.39Å; M301-V336 HydrophobicContact SD-CG2 3.47Å; M301-V336 WeakPolarHBondContact SD-CG2 3.32Å
337	V	96.4	Very high	95.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129	170.7	179.2	0	0	0	0	110.1	I225 Q300 V302 L307 L335 V340 L343	I225-V337 HydrophobicContact CB-CG2 4.43Å; Q300-V337 PolarHBondContact N-O 2.83Å; Q300-V337 PolarHBondContact O-N 3.16Å; V302-V337 HydrophobicContact CG2-CG2 3.6Å; L307-V337 HydrophobicContact CD1-CG2 4.29Å; L335-V337 HydrophobicContact CD1-CG2 3.37Å; V337-V340 HydrophobicContact CB-CG2 3.94Å; V337-V340 HydrophobicContact CG1-CB 4.35Å; V337-V340 HydrophobicContact CG1-CG2 3.56Å; V337-L343 HydrophobicContact CG1-CD1 3.56Å; V337-L343 HydrophobicContact CG1-CG 4.43Å; V337-L343 HydrophobicContact CG2-CD1 4.28Å
338	H	94.9	Very high	96.3	Very high	10 Å²	10	36.1 Å²	36.1	5%	0.046	21%	0.207	C	C	.	.	S	Bend	trans	-87	-23.7	-177.9	-73.8	-77.6	0	0	0	114.6	Y210 Q224 I225 D226 R292 L298 F299	Y210-H338 PolarHBondContact OH-NE2 3.13Å; Q224-H338 PolarHBondContact OE1-CE1 3.16Å; Q224-H338 VanDerWaalsContact OE1-CE1 3.31Å; Q224-H338 PolarHBondContact OE1-NE2 2.72Å; I225-H338 PolarHBondContact O-CD2 3.39Å; I225-H338 PolarHBondContact O-N 3Å; D226-H338 HydrophobicContact CB-CB 4.07Å; D226-H338 VanDerWaalsContact OD1-CB 3.23Å; D226-H338 WeakPolarHBondContact OD1-CB 3.36Å; D226-H338 IonicContact OD1-CG 3.13Å; D226-H338 IonicContact OD2-CG 3.05Å; R292-H338 WeakPolarHBondContact CD-O 3.46Å; R292-H338 PolarHBondContact NH1-O 2.9Å; L298-H338 HydrophobicContact CD1-CB 4.43Å; L298-H338 WeakPolarHBondContact O-CA 3.42Å; L298-H338 PolarHBondContact O-ND1 2.97Å; L298-H338 VanDerWaalsContact O-ND1 3.1Å; F299-H338 AromaticContact CD1-CE1 3.95Å; F299-H338 AromaticContact CE1-CE1 3.68Å
339	D	94.4	Very high	96.6	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	18%	0.176	C	C	.	.			trans	-154.8	94.6	173.3	-164.7	-17.6	0	0	0	111.3	R287 E341 Y342 L343	R287-D339 WeakPolarHBondContact CB-OD2 3.41Å; R287-D339 PolarHBondContact N-OD2 3.37Å; D339-E341 VanDerWaalsContact C-N 3.34Å; D339-E341 PolarHBondContact O-N 3.26Å; D339-E341 PolarHBondContact OD1-N 3.01Å; D339-Y342 PolarHBondContact O-N 3.18Å; D339-Y342 PolarHBondContact OD1-N 3.24Å; D339-L343 PolarHBondContact O-N 3.35Å
340	V	94.8	Very high	96.7	Very high	10 Å²	10	31.3 Å²	31.3	6%	0.061	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-37	-178.9	170	0	0	0	0	112.4	Q300 M310 V337 L343 K344	Q300-V340 HydrophobicContact CB-CG2 4.08Å; Q300-V340 HydrophobicContact CG-CG2 4.42Å; M310-V340 HydrophobicContact SD-CG1 3.68Å; V337-V340 HydrophobicContact CB-CG2 3.94Å; V337-V340 HydrophobicContact CG1-CB 4.35Å; V337-V340 HydrophobicContact CG1-CG2 3.56Å; V340-L343 PolarHBondContact O-N 3.44Å; V340-K344 HydrophobicContact CG1-CD 4.43Å; V340-K344 WeakPolarHBondContact O-CG 3.25Å; V340-K344 PolarHBondContact O-N 3.49Å; V340-K344 VanDerWaalsContact O-N 3.12Å
341	E	94.6	Very high	96.7	Very high	76 Å²	76	32.7 Å²	32.7	36%	0.355	17%	0.174	S	C	.	.	H	α-helix	trans	-71.7	-36.6	-177.2	-66.2	-58.2	128.2	0	0	111.1	D339 L343 K344 N345	D339-E341 VanDerWaalsContact C-N 3.34Å; D339-E341 PolarHBondContact O-N 3.26Å; D339-E341 PolarHBondContact OD1-N 3.01Å; E341-L343 VanDerWaalsContact C-N 3.33Å; E341-L343 PolarHBondContact O-N 3.22Å; E341-K344 PolarHBondContact O-N 3.33Å; E341-K344 IonicContact OE1-NZ 3.8Å; E341-K344 PolarHBondContact OE1-NZ 3.16Å; E341-N345 PolarHBondContact O-N 2.64Å; E341-N345 VanDerWaalsContact O-N 3.1Å; E341-N345 PolarHBondContact O-ND2 3.18Å
342	Y	96.3	Very high	96.6	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-54.3	-49	168.9	169.6	-98.9	0	0	0	111.6	F206 Q227 P228 L282 F285 L286 D339 K344 N345 M346	F206-Y342 PolarHBondContact O-OH 3.05Å; Q227-Y342 HydrophobicContact CB-CE1 4.38Å; P228-Y342 VanDerWaalsContact CD-CZ 3.45Å; P228-Y342 WeakPolarHBondContact CD-OH 3.27Å; P228-Y342 WeakPolarHBondContact CG-OH 3.47Å; L282-Y342 HydrophobicContact CB-CE2 4.42Å; L282-Y342 HydrophobicContact CD2-CE2 4.47Å; L282-Y342 WeakPolarHBondContact O-CE2 3.46Å; F285-Y342 HydrophobicContact CB-CD2 3.69Å; F285-Y342 HydrophobicContact CB-CE2 4.17Å; L286-Y342 HydrophobicContact CD2-CD2 3.61Å; L286-Y342 HydrophobicContact CD2-CE2 3.66Å; L286-Y342 HydrophobicContact CD2-CG 4.32Å; D339-Y342 PolarHBondContact O-N 3.18Å; D339-Y342 PolarHBondContact OD1-N 3.24Å; Y342-K344 VanDerWaalsContact C-N 3.35Å; Y342-K344 PolarHBondContact O-N 2.93Å; Y342-N345 PolarHBondContact O-N 3.33Å; Y342-M346 HydrophobicContact CE1-CB 4.33Å; Y342-M346 VanDerWaalsContact O-CB 3.27Å; Y342-M346 WeakPolarHBondContact O-CB 3.06Å; Y342-M346 PolarHBondContact O-N 3.2Å
343	L	97.6	Very high	96.5	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-65.1	-36.3	-177.5	-64.7	-177.8	0	0	0	112.9	F207 I225 L307 A311 W316 V337 D339 V340 E341 M346 S347	F207-L343 HydrophobicContact CB-CD2 4.03Å; I225-L343 HydrophobicContact CB-CD1 4.49Å; I225-L343 HydrophobicContact CG2-CD1 3.73Å; I225-L343 HydrophobicContact CG2-CD2 4.14Å; L307-L343 HydrophobicContact CD1-CD1 3.74Å; A311-L343 HydrophobicContact CB-CB 4.37Å; W316-L343 HydrophobicContact CH2-CD1 4.41Å; W316-L343 HydrophobicContact CH2-CD2 4.29Å; V337-L343 HydrophobicContact CG1-CD1 3.56Å; V337-L343 HydrophobicContact CG1-CG 4.43Å; V337-L343 HydrophobicContact CG2-CD1 4.28Å; D339-L343 PolarHBondContact O-N 3.35Å; V340-L343 PolarHBondContact O-N 3.44Å; E341-L343 VanDerWaalsContact C-N 3.33Å; E341-L343 PolarHBondContact O-N 3.22Å; L343-M346 HydrophobicContact CD2-CE 4.02Å; L343-S347 WeakPolarHBondContact O-CB 3.48Å; L343-S347 PolarHBondContact O-N 2.74Å
344	K	97.6	Very high	96.4	Very high	64 Å²	64	29.7 Å²	29.7	28%	0.278	15%	0.147	S	C	.	.	H	α-helix	trans	-61.9	-51	173.7	-70.7	173.7	-179	170.2	0	111.5	M310 V340 E341 Y342 M346 S347 Q348	M310-K344 HydrophobicContact CB-CG 4.41Å; M310-K344 WeakPolarHBondContact O-CG 3.44Å; V340-K344 HydrophobicContact CG1-CD 4.43Å; V340-K344 WeakPolarHBondContact O-CG 3.25Å; V340-K344 PolarHBondContact O-N 3.49Å; V340-K344 VanDerWaalsContact O-N 3.12Å; E341-K344 PolarHBondContact O-N 3.33Å; E341-K344 IonicContact OE1-NZ 3.8Å; E341-K344 PolarHBondContact OE1-NZ 3.16Å; Y342-K344 VanDerWaalsContact C-N 3.35Å; Y342-K344 PolarHBondContact O-N 2.93Å; K344-M346 PolarHBondContact O-N 2.82Å; K344-S347 WeakPolarHBondContact O-CB 3.48Å; K344-S347 PolarHBondContact O-N 2.89Å; K344-Q348 WeakPolarHBondContact O-CG 3.49Å; K344-Q348 PolarHBondContact O-N 3.07Å
345	N	98.3	Very high	96.3	Very high	52 Å²	52	34.3 Å²	34.3	28%	0.278	17%	0.167	S	C	.	.	H	α-helix	trans	-65.5	-39.3	-179.7	-66.7	-24.9	0	0	0	111.8	F285 E341 Y342 Q348 L349	F285-N345 HydrophobicContact CB-CB 4.14Å; F285-N345 HydrophobicContact CD1-CB 3.88Å; F285-N345 HydrophobicContact CD2-CB 3.61Å; F285-N345 HydrophobicContact CE1-CB 4.15Å; F285-N345 HydrophobicContact CE2-CB 3.89Å; F285-N345 HydrophobicContact CG-CB 3.61Å; F285-N345 HydrophobicContact CZ-CB 4.15Å; E341-N345 PolarHBondContact O-N 2.64Å; E341-N345 VanDerWaalsContact O-N 3.1Å; E341-N345 PolarHBondContact O-ND2 3.18Å; Y342-N345 PolarHBondContact O-N 3.33Å; N345-Q348 PolarHBondContact O-N 2.69Å; N345-L349 PolarHBondContact O-N 2.9Å
346	M	97.9	Very high	96.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.4	-45.1	173.4	178.3	-80.1	-65.4	0	0	111.1	F206 F207 L282 I314 W316 Y342 L343 K344 Q348 L349 V350	F206-M346 HydrophobicContact CB-CG 4.1Å; F206-M346 HydrophobicContact CB-SD 3.83Å; F206-M346 HydrophobicContact CG-SD 4.46Å; F207-M346 HydrophobicContact CD1-CE 3.92Å; L282-M346 HydrophobicContact CD2-CB 4.04Å; L282-M346 HydrophobicContact CD2-CG 3.67Å; I314-M346 HydrophobicContact CD1-SD 4.42Å; I314-M346 HydrophobicContact CG1-CE 4.23Å; W316-M346 HydrophobicContact CH2-CE 4.49Å; W316-M346 HydrophobicContact CZ2-CE 4.43Å; Y342-M346 HydrophobicContact CE1-CB 4.33Å; Y342-M346 VanDerWaalsContact O-CB 3.27Å; Y342-M346 WeakPolarHBondContact O-CB 3.06Å; Y342-M346 PolarHBondContact O-N 3.2Å; L343-M346 HydrophobicContact CD2-CE 4.02Å; K344-M346 PolarHBondContact O-N 2.82Å; M346-Q348 PolarHBondContact O-N 2.84Å; M346-L349 PolarHBondContact O-N 2.57Å; M346-V350 WeakPolarHBondContact O-CG2 3.41Å; M346-V350 PolarHBondContact O-N 2.76Å; M346-V350 HydrophobicContact SD-CG2 3.83Å
347	S	98.3	Very high	95.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-48	177.2	-176	0	0	0	0	111.8	A311 P312 A313 L343 K344 L349 V350 E351	A311-S347 WeakPolarHBondContact CA-OG 3.23Å; P312-S347 VanDerWaalsContact CD-OG 3.25Å; P312-S347 WeakPolarHBondContact CD-OG 3.42Å; P312-S347 VanDerWaalsContact N-OG 3.13Å; A313-S347 WeakPolarHBondContact CB-O 2.95Å; A313-S347 VanDerWaalsContact CB-OG 3.23Å; A313-S347 WeakPolarHBondContact CB-OG 3.25Å; A313-S347 PolarHBondContact N-OG 3.49Å; L343-S347 WeakPolarHBondContact O-CB 3.48Å; L343-S347 PolarHBondContact O-N 2.74Å; K344-S347 WeakPolarHBondContact O-CB 3.48Å; K344-S347 PolarHBondContact O-N 2.89Å; S347-L349 PolarHBondContact O-N 3.49Å; S347-V350 PolarHBondContact O-N 3.44Å; S347-E351 PolarHBondContact O-N 2.98Å
348	Q	98.2	Very high	95.6	Very high	109 Å²	109	51.1 Å²	51.1	51%	0.509	24%	0.238	S	C	.	.	H	α-helix	trans	-59	-46.3	178.2	-70.9	174.2	-6.2	0	0	111.6	K344 N345 M346 V350 E351 E352	K344-Q348 WeakPolarHBondContact O-CG 3.49Å; K344-Q348 PolarHBondContact O-N 3.07Å; N345-Q348 PolarHBondContact O-N 2.69Å; M346-Q348 PolarHBondContact O-N 2.84Å; Q348-V350 VanDerWaalsContact C-N 3.33Å; Q348-V350 PolarHBondContact O-N 3.16Å; Q348-E351 PolarHBondContact O-N 2.98Å; Q348-E352 WeakPolarHBondContact O-CG 3.3Å; Q348-E352 PolarHBondContact O-N 2.79Å
349	L	97.6	Very high	95.3	Very high	18 Å²	18	51.5 Å²	51.5	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-57.9	-45.8	175.8	175.5	64	0	0	0	111.5	W281 L282 F285 N345 M346 S347 E352 M353	W281-L349 HydrophobicContact CB-CD2 3.85Å; W281-L349 HydrophobicContact CD2-CD1 4.32Å; W281-L349 HydrophobicContact CE3-CD1 3.67Å; W281-L349 HydrophobicContact CE3-CD2 4.24Å; W281-L349 HydrophobicContact CZ3-CD1 4.23Å; L282-L349 HydrophobicContact CD2-CD2 3.94Å; L282-L349 HydrophobicContact CG-CD2 4.31Å; F285-L349 HydrophobicContact CE2-CB 4.15Å; F285-L349 HydrophobicContact CE2-CD2 4.04Å; N345-L349 PolarHBondContact O-N 2.9Å; M346-L349 PolarHBondContact O-N 2.57Å; S347-L349 PolarHBondContact O-N 3.49Å; L349-E352 PolarHBondContact O-N 2.9Å; L349-M353 HydrophobicContact CD1-CG 4.11Å; L349-M353 HydrophobicContact CG-CG 4.41Å; L349-M353 WeakPolarHBondContact O-CB 3.48Å; L349-M353 WeakPolarHBondContact O-CG 3.16Å; L349-M353 PolarHBondContact O-N 2.71Å
350	V	97.4	Very high	95.2	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-42.8	179.1	171.8	0	0	0	0	111.2	F190 F206 A313 M346 S347 Q348 M353 L354 L361	F190-V350 HydrophobicContact CD1-CG1 4.44Å; F190-V350 HydrophobicContact CE1-CG1 3.71Å; F190-V350 HydrophobicContact CE2-CG1 4.02Å; F190-V350 HydrophobicContact CZ-CG1 3.46Å; F190-V350 VanDerWaalsContact CZ-CG1 3.46Å; F206-V350 HydrophobicContact CD1-CG2 4.08Å; F206-V350 HydrophobicContact CE1-CG2 4.19Å; F206-V350 HydrophobicContact CG-CG2 4.45Å; A313-V350 HydrophobicContact CB-CB 3.89Å; A313-V350 HydrophobicContact CB-CG1 3.79Å; M346-V350 WeakPolarHBondContact O-CG2 3.41Å; M346-V350 PolarHBondContact O-N 2.76Å; M346-V350 HydrophobicContact SD-CG2 3.83Å; S347-V350 PolarHBondContact O-N 3.44Å; Q348-V350 VanDerWaalsContact C-N 3.33Å; Q348-V350 PolarHBondContact O-N 3.16Å; V350-M353 PolarHBondContact O-N 3.23Å; V350-L354 HydrophobicContact CG1-CD1 3.87Å; V350-L354 HydrophobicContact CG1-CG 4.23Å; V350-L354 WeakPolarHBondContact O-CB 3.12Å; V350-L354 VanDerWaalsContact O-CG 3.22Å; V350-L354 WeakPolarHBondContact O-CG 3.48Å; V350-L354 PolarHBondContact O-N 3.1Å; V350-L361 HydrophobicContact CG1-CD2 4.37Å
351	E	96.9	Very high	95.2	Very high	76 Å²	76	52 Å²	52	36%	0.355	24%	0.241	S	C	.	.	H	α-helix	trans	-60.9	-45.8	176.7	-74.7	176.4	127.5	0	0	112	A313 S347 Q348 M353 L354 L355	A313-E351 HydrophobicContact CB-CG 3.83Å; S347-E351 PolarHBondContact O-N 2.98Å; Q348-E351 PolarHBondContact O-N 2.98Å; E351-M353 VanDerWaalsContact C-N 3.35Å; E351-M353 PolarHBondContact O-N 3.44Å; E351-L354 PolarHBondContact O-N 2.85Å; E351-L355 WeakPolarHBondContact O-CG 3.33Å; E351-L355 PolarHBondContact O-N 3.49Å; E351-L355 VanDerWaalsContact O-N 3.11Å
352	E	96.3	Very high	95.1	Very high	110 Å²	110	48.4 Å²	48.4	51%	0.514	23%	0.225	S	C	.	.	H	α-helix	trans	-60.7	-44.3	176.6	-71.8	-176.7	-175.6	0	0	112	Q348 L349 L355 K356	Q348-E352 WeakPolarHBondContact O-CG 3.3Å; Q348-E352 PolarHBondContact O-N 2.79Å; L349-E352 PolarHBondContact O-N 2.9Å; E352-L355 PolarHBondContact O-N 3.26Å; E352-K356 PolarHBondContact O-N 3.34Å
353	M	95.1	Very high	95	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.039	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-38.6	177	-71.3	-70	-55.6	0	0	111.9	I278 W281 L349 V350 E351 L355 K356 Q357 R358 F360 L361	I278-M353 HydrophobicContact CD1-CE 3.66Å; I278-M353 HydrophobicContact CG1-CE 4.13Å; W281-M353 HydrophobicContact CZ3-SD 4.4Å; L349-M353 HydrophobicContact CD1-CG 4.11Å; L349-M353 HydrophobicContact CG-CG 4.41Å; L349-M353 WeakPolarHBondContact O-CB 3.48Å; L349-M353 WeakPolarHBondContact O-CG 3.16Å; L349-M353 PolarHBondContact O-N 2.71Å; V350-M353 PolarHBondContact O-N 3.23Å; E351-M353 VanDerWaalsContact C-N 3.35Å; E351-M353 PolarHBondContact O-N 3.44Å; M353-L355 PolarHBondContact O-N 3.45Å; M353-K356 PolarHBondContact O-N 3.32Å; M353-Q357 HydrophobicContact CE-CB 3.62Å; M353-Q357 CarbonylContact O-C 3.51Å; M353-Q357 WeakPolarHBondContact O-CA 3.16Å; M353-Q357 PolarHBondContact O-N 3.03Å; M353-Q357 HydrophobicContact SD-CB 4.04Å; M353-Q357 PolarHBondContact SD-OE1 3.44Å; M353-R358 PolarHBondContact O-N 3.32Å; M353-F360 HydrophobicContact CE-CB 4.07Å; M353-L361 HydrophobicContact CB-CD1 4.32Å; M353-L361 HydrophobicContact CB-CD2 4.3Å; M353-L361 HydrophobicContact CE-CB 4.37Å
354	L	93.9	Very high	94.9	Very high	32 Å²	32	48.9 Å²	48.9	17%	0.168	23%	0.227	C	C	.	.	H	α-helix	trans	-65.4	-28.1	175.8	-75.9	171.6	0	0	0	112.6	L188 F190 V350 E351 R358 L361	L188-L354 HydrophobicContact CD2-CD2 4.2Å; F190-L354 HydrophobicContact CB-CD2 3.54Å; F190-L354 HydrophobicContact CD1-CD1 4.11Å; F190-L354 HydrophobicContact CD1-CD2 4.43Å; F190-L354 HydrophobicContact CD2-CD2 4.18Å; F190-L354 HydrophobicContact CG-CD1 4.3Å; F190-L354 HydrophobicContact CG-CD2 3.8Å; V350-L354 HydrophobicContact CG1-CD1 3.87Å; V350-L354 HydrophobicContact CG1-CG 4.23Å; V350-L354 WeakPolarHBondContact O-CB 3.12Å; V350-L354 VanDerWaalsContact O-CG 3.22Å; V350-L354 WeakPolarHBondContact O-CG 3.48Å; V350-L354 PolarHBondContact O-N 3.1Å; E351-L354 PolarHBondContact O-N 2.85Å; L354-R358 WeakPolarHBondContact O-CG 3.42Å; L354-R358 PolarHBondContact O-NE 3.23Å; L354-L361 HydrophobicContact CD2-CD2 3.56Å; L354-L361 HydrophobicContact CG-CD2 3.77Å
355	L	92.9	Very high	94.7	Very high	142 Å²	142	45.9 Å²	45.9	74%	0.743	21%	0.214	S	C	*	.	H	α-helix	trans	-81.5	-39.4	176.7	-68.2	171.5	0	0	0	112.2	E351 E352 M353	E351-L355 WeakPolarHBondContact O-CG 3.33Å; E351-L355 PolarHBondContact O-N 3.49Å; E351-L355 VanDerWaalsContact O-N 3.11Å; E352-L355 PolarHBondContact O-N 3.26Å; M353-L355 PolarHBondContact O-N 3.45Å
356	K	92.5	Very high	94.6	Very high	167 Å²	167	43.4 Å²	43.4	73%	0.726	20%	0.201	S	C	*	.	H	α-helix	trans	-109.2	-29.8	-167.3	-62.1	175.5	-176.3	168.6	0	115.1	E352 M353	E352-K356 PolarHBondContact O-N 3.34Å; M353-K356 PolarHBondContact O-N 3.32Å
357	Q	91.6	Very high	94.4	Very high	65 Å²	65	43.4 Å²	43.4	30%	0.304	20%	0.201	S	C	.	.			trans	-145.7	47.1	-160.9	-69.7	-176	-0.9	0	0	112.8	L274 M353 D359 F360 L361	L274-Q357 VanDerWaalsContact CD2-OE1 3.26Å; M353-Q357 HydrophobicContact CE-CB 3.62Å; M353-Q357 CarbonylContact O-C 3.51Å; M353-Q357 WeakPolarHBondContact O-CA 3.16Å; M353-Q357 PolarHBondContact O-N 3.03Å; M353-Q357 HydrophobicContact SD-CB 4.04Å; M353-Q357 PolarHBondContact SD-OE1 3.44Å; Q357-D359 VanDerWaalsContact C-N 3.33Å; Q357-D359 PolarHBondContact O-N 2.93Å; Q357-F360 HydrophobicContact CB-CB 4.35Å; Q357-F360 HydrophobicContact CB-CD2 3.95Å; Q357-F360 HydrophobicContact CG-CD2 4.16Å; Q357-F360 PolarHBondContact O-N 3.37Å; Q357-L361 PolarHBondContact O-N 3.35Å; Q357-L361 VanDerWaalsContact O-N 3.1Å
358	R	90.5	Very high	94.3	Very high	123 Å²	123	43.8 Å²	43.8	46%	0.464	21%	0.205	S	C	.	.	H	α-helix	trans	-58.4	-39.7	-174.9	-68.7	-172.9	177.2	-156.2	-1.8	114.1	L188 M353 L354 F360 L361 Q362	L188-R358 HydrophobicContact CB-CB 4.34Å; L188-R358 HydrophobicContact CD2-CB 4.12Å; L188-R358 VanDerWaalsContact CD2-O 3.27Å; L188-R358 WeakPolarHBondContact CD2-O 3.01Å; M353-R358 PolarHBondContact O-N 3.32Å; L354-R358 WeakPolarHBondContact O-CG 3.42Å; L354-R358 PolarHBondContact O-NE 3.23Å; R358-F360 VanDerWaalsContact C-N 3.34Å; R358-L361 PolarHBondContact O-N 3.42Å; R358-Q362 PolarHBondContact O-N 3.24Å
359	D	89.4	Confident	94.1	Very high	19 Å²	19	38.6 Å²	38.6	10%	0.102	18%	0.181	C	C	.	.	H	α-helix	trans	-66.2	-36.2	179.8	58	-26.6	0	0	0	112.7	R180 W185 H271 Q357 S363	R180-D359 IonicContact CZ-OD2 3.52Å; R180-D359 IonicContact NH1-OD2 3.62Å; R180-D359 PolarHBondContact NH1-OD2 3.09Å; W185-D359 HydrophobicContact CH2-CB 3.73Å; W185-D359 HydrophobicContact CZ2-CB 4.03Å; W185-D359 HydrophobicContact CZ3-CB 4.35Å; H271-D359 IonicContact CE1-OD2 3.07Å; Q357-D359 VanDerWaalsContact C-N 3.33Å; Q357-D359 PolarHBondContact O-N 2.93Å; D359-S363 WeakPolarHBondContact O-CB 3.21Å; D359-S363 PolarHBondContact O-N 3.12Å; D359-S363 PolarHBondContact O-OG 3.33Å
360	F	92.4	Very high	94	Very high	22 Å²	22	37.8 Å²	37.8	10%	0.096	18%	0.176	C	C	.	.	H	α-helix	trans	-70.7	-38.2	173.4	-65.9	-70.8	0	0	0	112.6	E270 H271 L274 M353 Q357 R358 Q362 S363 H364	E270-F360 HydrophobicContact CG-CE1 3.93Å; E270-F360 HydrophobicContact CG-CZ 4Å; H271-F360 HydrophobicContact CB-CD1 4.25Å; H271-F360 HydrophobicContact CB-CE1 4.33Å; H271-F360 AromaticContact CD2-CE1 3.94Å; H271-F360 AromaticContact CE1-CD1 3.82Å; H271-F360 AromaticContact CE1-CE1 3.87Å; H271-F360 AromaticContact CG-CD1 3.75Å; H271-F360 AromaticContact CG-CE1 3.7Å; H271-F360 AromaticContact ND1-CD1 3.35Å; H271-F360 VanDerWaalsContact ND1-CD1 3.35Å; H271-F360 WeakPolarHBondContact ND1-CD1 3.42Å; H271-F360 AromaticContact ND1-CE1 3.65Å; L274-F360 HydrophobicContact CB-CB 4.47Å; L274-F360 HydrophobicContact CB-CD1 3.77Å; L274-F360 HydrophobicContact CB-CE1 4.21Å; L274-F360 HydrophobicContact CB-CG 4.26Å; L274-F360 HydrophobicContact CD2-CB 3.39Å; L274-F360 HydrophobicContact CD2-CD1 3.34Å; L274-F360 HydrophobicContact CD2-CD2 3.29Å; L274-F360 HydrophobicContact CD2-CE1 3.8Å; L274-F360 HydrophobicContact CD2-CE2 3.74Å; L274-F360 HydrophobicContact CD2-CG 3.04Å; L274-F360 HydrophobicContact CD2-CZ 3.97Å; L274-F360 HydrophobicContact CG-CB 3.87Å; L274-F360 HydrophobicContact CG-CD1 3.95Å; L274-F360 HydrophobicContact CG-CG 3.91Å; M353-F360 HydrophobicContact CE-CB 4.07Å; Q357-F360 HydrophobicContact CB-CB 4.35Å; Q357-F360 HydrophobicContact CB-CD2 3.95Å; Q357-F360 HydrophobicContact CG-CD2 4.16Å; Q357-F360 PolarHBondContact O-N 3.37Å; R358-F360 VanDerWaalsContact C-N 3.34Å; F360-Q362 VanDerWaalsContact C-N 3.35Å; F360-Q362 PolarHBondContact O-N 3.34Å; F360-S363 WeakPolarHBondContact O-CB 3.42Å; F360-S363 PolarHBondContact O-N 3.1Å; F360-S363 VanDerWaalsContact O-N 3.09Å; F360-H364 PolarHBondContact O-N 3.26Å
361	L	93.7	Very high	93.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-62.3	-42.3	173.3	-169.2	64	0	0	0	111.8	L188 F190 F206 V350 M353 L354 Q357 R358 S363 H364 M365	L188-L361 HydrophobicContact CD2-CB 4.35Å; L188-L361 HydrophobicContact CD2-CD2 4.32Å; F190-L361 HydrophobicContact CD2-CD2 3.5Å; F190-L361 VanDerWaalsContact CD2-CD2 3.5Å; F190-L361 HydrophobicContact CD2-CG 4.05Å; F190-L361 HydrophobicContact CE2-CD1 4.38Å; F190-L361 HydrophobicContact CE2-CD2 3.66Å; F190-L361 HydrophobicContact CE2-CG 4.04Å; F190-L361 HydrophobicContact CG-CD2 4.34Å; F206-L361 HydrophobicContact CE1-CD1 3.81Å; F206-L361 HydrophobicContact CZ-CD1 3.5Å; F206-L361 HydrophobicContact CZ-CG 4.36Å; V350-L361 HydrophobicContact CG1-CD2 4.37Å; M353-L361 HydrophobicContact CB-CD1 4.32Å; M353-L361 HydrophobicContact CB-CD2 4.3Å; M353-L361 HydrophobicContact CE-CB 4.37Å; L354-L361 HydrophobicContact CD2-CD2 3.56Å; L354-L361 HydrophobicContact CG-CD2 3.77Å; Q357-L361 PolarHBondContact O-N 3.35Å; Q357-L361 VanDerWaalsContact O-N 3.1Å; R358-L361 PolarHBondContact O-N 3.42Å; L361-S363 VanDerWaalsContact C-N 3.28Å; L361-S363 PolarHBondContact O-N 2.95Å; L361-H364 PolarHBondContact O-N 3.15Å; L361-M365 PolarHBondContact O-N 3.23Å
362	Q	92.8	Very high	93.7	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.009	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-41.6	171.3	-179.6	67.8	-6.6	0	0	111.1	L176 G178 L188 R358 F360 H364 M365 I366	L176-Q362 PolarHBondContact O-NE2 3.24Å; G178-Q362 PolarHBondContact O-NE2 2.88Å; L188-Q362 HydrophobicContact CD1-CB 4.19Å; L188-Q362 HydrophobicContact CD2-CB 4.47Å; R358-Q362 PolarHBondContact O-N 3.24Å; F360-Q362 VanDerWaalsContact C-N 3.35Å; F360-Q362 PolarHBondContact O-N 3.34Å; Q362-H364 PolarHBondContact O-N 3.43Å; Q362-M365 PolarHBondContact O-N 3.25Å; Q362-I366 HydrophobicContact CG-CG1 4.19Å; Q362-I366 WeakPolarHBondContact O-CB 3.45Å; Q362-I366 VanDerWaalsContact O-CG1 3.29Å; Q362-I366 WeakPolarHBondContact O-CG1 3.17Å; Q362-I366 PolarHBondContact O-N 3.17Å
363	S	93.8	Very high	93.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.2	-37.7	-178.7	-57.2	0	0	0	0	112.7	W179 H271 D359 F360 L361 I366 L367	W179-S363 PolarHBondContact NE1-OG 3.29Å; H271-S363 PolarHBondContact CE1-OG 2.83Å; H271-S363 WeakPolarHBondContact ND1-CB 3.4Å; H271-S363 PolarHBondContact ND1-OG 3.26Å; D359-S363 WeakPolarHBondContact O-CB 3.21Å; D359-S363 PolarHBondContact O-N 3.12Å; D359-S363 PolarHBondContact O-OG 3.33Å; F360-S363 WeakPolarHBondContact O-CB 3.42Å; F360-S363 PolarHBondContact O-N 3.1Å; F360-S363 VanDerWaalsContact O-N 3.09Å; L361-S363 VanDerWaalsContact C-N 3.28Å; L361-S363 PolarHBondContact O-N 2.95Å; S363-I366 PolarHBondContact O-N 3.35Å; S363-L367 WeakPolarHBondContact O-CB 3.2Å; S363-L367 VanDerWaalsContact O-CG 3.25Å; S363-L367 WeakPolarHBondContact O-CG 3.49Å; S363-L367 PolarHBondContact O-N 2.85Å
364	H	94.8	Very high	93.6	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.065	15%	0.152	C	C	.	.	H	α-helix	trans	-59.8	-47.5	173.3	178.6	68.8	0	0	0	111.5	F206 S275 I278 T279 F360 L361 Q362 G368	F206-H364 AromaticContact CE1-CD2 3.63Å; F206-H364 AromaticContact CE1-NE2 3.99Å; F206-H364 AromaticContact CZ-CD2 3.85Å; S275-H364 PolarHBondContact O-ND1 3.47Å; S275-H364 WeakPolarHBondContact OG-CA 3.45Å; S275-H364 PolarHBondContact OG-ND1 3.35Å; I278-H364 HydrophobicContact CD1-CB 3.76Å; T279-H364 PolarHBondContact OG1-CE1 3.08Å; F360-H364 PolarHBondContact O-N 3.26Å; L361-H364 PolarHBondContact O-N 3.15Å; Q362-H364 PolarHBondContact O-N 3.43Å; H364-G368 PolarHBondContact O-N 3.12Å
365	M	95.4	Very high	93.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.4	-44.1	177.1	-72.6	-166.2	-64.6	0	0	113.3	L188 F190 T193 L194 L197 P205 F206 L361 Q362 L369	L188-M365 HydrophobicContact CD1-CE 3.94Å; F190-M365 HydrophobicContact CD2-CE 3.86Å; F190-M365 HydrophobicContact CD2-SD 4.05Å; F190-M365 HydrophobicContact CE2-CE 4.31Å; F190-M365 HydrophobicContact CE2-SD 3.95Å; T193-M365 HydrophobicContact CG2-CE 3.77Å; T193-M365 HydrophobicContact CG2-SD 4.2Å; L194-M365 HydrophobicContact CB-SD 4.49Å; L197-M365 HydrophobicContact CD1-CB 3.7Å; L197-M365 HydrophobicContact CD1-CG 4.03Å; L197-M365 HydrophobicContact CD1-SD 3.88Å; P205-M365 HydrophobicContact CB-CG 4.4Å; P205-M365 HydrophobicContact CG-CG 4.02Å; F206-M365 HydrophobicContact CE2-CG 3.86Å; F206-M365 HydrophobicContact CE2-SD 3.95Å; F206-M365 HydrophobicContact CZ-CG 3.95Å; F206-M365 HydrophobicContact CZ-SD 4.45Å; L361-M365 PolarHBondContact O-N 3.23Å; Q362-M365 PolarHBondContact O-N 3.25Å; M365-L369 PolarHBondContact O-N 2.8Å; M365-L369 VanDerWaalsContact O-N 3.1Å
366	I	94.8	Very high	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-70.3	-45.6	179.9	-65.3	-62.2	0	0	0	111	I173 L176 W179 Q362 S363 G368 L369 V370	I173-I366 HydrophobicContact CD1-CG2 4.09Å; I173-I366 HydrophobicContact CG1-CG2 4.03Å; I173-I366 HydrophobicContact CG2-CD1 4.46Å; I173-I366 HydrophobicContact CG2-CG2 4.46Å; L176-I366 HydrophobicContact CB-CD1 3.99Å; L176-I366 HydrophobicContact CD1-CD1 3.76Å; W179-I366 HydrophobicContact CB-CG2 4.47Å; W179-I366 HydrophobicContact CD2-CB 4.46Å; W179-I366 HydrophobicContact CD2-CG2 3.86Å; W179-I366 HydrophobicContact CE3-CG2 4.01Å; W179-I366 HydrophobicContact CG-CB 4.41Å; W179-I366 HydrophobicContact CG-CG1 4.46Å; W179-I366 HydrophobicContact CG-CG2 4.1Å; Q362-I366 HydrophobicContact CG-CG1 4.19Å; Q362-I366 WeakPolarHBondContact O-CB 3.45Å; Q362-I366 VanDerWaalsContact O-CG1 3.29Å; Q362-I366 WeakPolarHBondContact O-CG1 3.17Å; Q362-I366 PolarHBondContact O-N 3.17Å; S363-I366 PolarHBondContact O-N 3.35Å; I366-G368 PolarHBondContact O-N 3.31Å; I366-L369 WeakPolarHBondContact O-CB 3.31Å; I366-L369 PolarHBondContact O-N 3.34Å; I366-V370 HydrophobicContact CG2-CG2 4.3Å; I366-V370 VanDerWaalsContact O-CG2 3.27Å; I366-V370 WeakPolarHBondContact O-CG2 3.31Å; I366-V370 PolarHBondContact O-N 2.82Å
367	L	95	Very high	93.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.5	-45.1	177.4	-75.2	169.6	0	0	0	111.2	W179 L254 S363 L369 V370 V371	W179-L367 HydrophobicContact CH2-CD2 3.69Å; W179-L367 HydrophobicContact CH2-CG 4.18Å; W179-L367 HydrophobicContact CZ2-CD1 4.35Å; W179-L367 HydrophobicContact CZ2-CD2 3.89Å; W179-L367 HydrophobicContact CZ2-CG 3.84Å; L254-L367 HydrophobicContact CD2-CB 4.36Å; S363-L367 WeakPolarHBondContact O-CB 3.2Å; S363-L367 VanDerWaalsContact O-CG 3.25Å; S363-L367 WeakPolarHBondContact O-CG 3.49Å; S363-L367 PolarHBondContact O-N 2.85Å; L367-L369 VanDerWaalsContact C-N 3.3Å; L367-L369 PolarHBondContact O-N 3.35Å; L367-V370 PolarHBondContact O-N 3.36Å; L367-V370 VanDerWaalsContact O-N 3.13Å; L367-V371 WeakPolarHBondContact O-CG2 3.28Å; L367-V371 PolarHBondContact O-N 3.25Å
368	G	94.6	Very high	94	Very high	10 Å²	10	15.1 Å²	15.1	10%	0.103	8%	0.078	C	C	.	.	H	α-helix	trans	-58.6	-40.3	175	0	0	0	0	0	112.9	H203 H364 I366 V371 T372	H203-G368 PolarHBondContact CE1-O 3.17Å; H364-G368 PolarHBondContact O-N 3.12Å; I366-G368 PolarHBondContact O-N 3.31Å; G368-V371 PolarHBondContact O-N 3.27Å; G368-T372 PolarHBondContact O-N 3.45Å; G368-T372 PolarHBondContact O-OG1 3.39Å
369	L	95.3	Very high	94.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.2	-44.7	173.3	-179.7	67.1	0	0	0	112	V172 L176 L197 Y201 H203 M365 I366 L367 V371 T372 L373	V172-L369 HydrophobicContact CG1-CD2 3.71Å; L176-L369 HydrophobicContact CD1-CD2 3.35Å; L197-L369 HydrophobicContact CD2-CB 3.9Å; L197-L369 HydrophobicContact CD2-CD1 3.96Å; L197-L369 HydrophobicContact CD2-CD2 3.69Å; L197-L369 HydrophobicContact CD2-CG 4.06Å; Y201-L369 HydrophobicContact CD1-CD1 4.17Å; Y201-L369 HydrophobicContact CG-CD1 3.85Å; Y201-L369 HydrophobicContact CG-CD2 4.48Å; H203-L369 HydrophobicContact CB-CD1 4.05Å; M365-L369 PolarHBondContact O-N 2.8Å; M365-L369 VanDerWaalsContact O-N 3.1Å; I366-L369 WeakPolarHBondContact O-CB 3.31Å; I366-L369 PolarHBondContact O-N 3.34Å; L367-L369 VanDerWaalsContact C-N 3.3Å; L367-L369 PolarHBondContact O-N 3.35Å; L369-V371 VanDerWaalsContact C-N 3.29Å; L369-V371 PolarHBondContact O-N 3.13Å; L369-T372 WeakPolarHBondContact O-CA 3.47Å; L369-T372 WeakPolarHBondContact O-CB 3.31Å; L369-T372 PolarHBondContact O-N 3.06Å; L369-T372 VanDerWaalsContact O-N 3.09Å; L369-L373 HydrophobicContact CD1-CD1 3.81Å; L369-L373 HydrophobicContact CD1-CD2 4.48Å; L369-L373 HydrophobicContact CD1-CG 3.92Å; L369-L373 HydrophobicContact CD2-CD1 4.25Å; L369-L373 HydrophobicContact CG-CD1 3.81Å; L369-L373 HydrophobicContact CG-CG 4.19Å; L369-L373 WeakPolarHBondContact O-CG 3.47Å; L369-L373 PolarHBondContact O-N 3.22Å
370	V	95.6	Very high	94.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-41.5	178.3	176.9	0	0	0	0	110.3	L169 I173 L257 L261 I366 L367 T372 L373 S374 F381	L169-V370 HydrophobicContact CD1-CG2 4.31Å; L169-V370 HydrophobicContact CD2-CG1 3.95Å; L169-V370 HydrophobicContact CD2-CG2 4Å; I173-V370 HydrophobicContact CD1-CG2 4.43Å; L257-V370 HydrophobicContact CB-CG1 4.2Å; L257-V370 HydrophobicContact CD1-CG1 4.03Å; L257-V370 HydrophobicContact CD2-CG1 4.25Å; L257-V370 HydrophobicContact CG-CG1 4.41Å; L261-V370 HydrophobicContact CD1-CG1 4.29Å; L261-V370 HydrophobicContact CD1-CG2 3.81Å; I366-V370 HydrophobicContact CG2-CG2 4.3Å; I366-V370 VanDerWaalsContact O-CG2 3.27Å; I366-V370 WeakPolarHBondContact O-CG2 3.31Å; I366-V370 PolarHBondContact O-N 2.82Å; L367-V370 PolarHBondContact O-N 3.36Å; L367-V370 VanDerWaalsContact O-N 3.13Å; V370-T372 VanDerWaalsContact C-N 3.31Å; V370-T372 PolarHBondContact O-N 3.25Å; V370-L373 PolarHBondContact O-N 2.79Å; V370-S374 WeakPolarHBondContact O-CB 3.24Å; V370-S374 PolarHBondContact O-N 2.89Å; V370-S374 PolarHBondContact O-OG 2.9Å; V370-F381 HydrophobicContact CG1-CD1 4.33Å; V370-F381 HydrophobicContact CG1-CE1 4.01Å
371	V	94.5	Very high	94.8	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.024	9%	0.089	C	C	.	.	H	α-helix	trans	-59.2	-43.8	173.8	173.9	0	0	0	0	111.3	Y253 L254 L257 L367 G368 L369 R385	Y253-V371 HydrophobicContact CE1-CB 4.47Å; Y253-V371 HydrophobicContact CE1-CG1 4.16Å; Y253-V371 HydrophobicContact CE1-CG2 3.65Å; L254-V371 HydrophobicContact CD2-CG2 3.83Å; L257-V371 HydrophobicContact CD1-CG2 3.66Å; L367-V371 WeakPolarHBondContact O-CG2 3.28Å; L367-V371 PolarHBondContact O-N 3.25Å; G368-V371 PolarHBondContact O-N 3.27Å; L369-V371 VanDerWaalsContact C-N 3.29Å; L369-V371 PolarHBondContact O-N 3.13Å; V371-R385 PolarHBondContact O-NH1 3.42Å
372	T	93.1	Very high	94.8	Very high	55 Å²	55	17.4 Å²	17.4	34%	0.337	10%	0.1	S	C	.	.	H	α-helix	trans	-61.6	-44.5	177.6	-57.9	0	0	0	0	111.7	H203 G368 L369 V370 P375	H203-T372 PolarHBondContact ND1-OG1 2.94Å; G368-T372 PolarHBondContact O-N 3.45Å; G368-T372 PolarHBondContact O-OG1 3.39Å; L369-T372 WeakPolarHBondContact O-CA 3.47Å; L369-T372 WeakPolarHBondContact O-CB 3.31Å; L369-T372 PolarHBondContact O-N 3.06Å; L369-T372 VanDerWaalsContact O-N 3.09Å; V370-T372 VanDerWaalsContact C-N 3.31Å; V370-T372 PolarHBondContact O-N 3.25Å; T372-P375 VanDerWaalsContact O-CD 3.32Å; T372-P375 WeakPolarHBondContact O-CD 3.44Å
373	L	94.6	Very high	94.8	Very high	10 Å²	10	20.3 Å²	20.3	5%	0.052	11%	0.113	C	C	.	.	H	α-helix	trans	-86.6	-15.5	-175	-61.6	-178.2	0	0	0	114.1	L169 V172 L369 V370 P375 A376 L505 L509	L169-L373 HydrophobicContact CD1-CD1 4Å; V172-L373 HydrophobicContact CG1-CD1 4.35Å; L369-L373 HydrophobicContact CD1-CD1 3.81Å; L369-L373 HydrophobicContact CD1-CD2 4.48Å; L369-L373 HydrophobicContact CD1-CG 3.92Å; L369-L373 HydrophobicContact CD2-CD1 4.25Å; L369-L373 HydrophobicContact CG-CD1 3.81Å; L369-L373 HydrophobicContact CG-CG 4.19Å; L369-L373 WeakPolarHBondContact O-CG 3.47Å; L369-L373 PolarHBondContact O-N 3.22Å; V370-L373 PolarHBondContact O-N 2.79Å; L373-P375 VanDerWaalsContact C-N 3.27Å; L373-P375 WeakPolarHBondContact O-CD 3.31Å; L373-P375 VanDerWaalsContact O-N 3.08Å; L373-A376 PolarHBondContact O-N 2.84Å; L373-L505 HydrophobicContact CB-CD1 4.09Å; L373-L505 HydrophobicContact CD1-CD1 4.28Å; L373-L505 HydrophobicContact CD2-CD1 4.18Å; L373-L505 HydrophobicContact CG-CD1 4.4Å; L373-L509 HydrophobicContact CD2-CD2 3.85Å
374	S	94.3	Very high	94.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-47.5	-37.3	-178.2	-71.6	0	0	0	0	115.3	V370 A376 L377	V370-S374 WeakPolarHBondContact O-CB 3.24Å; V370-S374 PolarHBondContact O-N 2.89Å; V370-S374 PolarHBondContact O-OG 2.9Å; S374-A376 PolarHBondContact O-N 3.14Å; S374-L377 PolarHBondContact O-N 3.39Å
375	P	91.8	Very high	94.8	Very high	36 Å²	36	24.1 Å²	24.1	23%	0.234	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-60.4	-25.7	175.9	-25.2	36.7	0	0	0	114.5	T372 L373 K409	T372-P375 VanDerWaalsContact O-CD 3.32Å; T372-P375 WeakPolarHBondContact O-CD 3.44Å; L373-P375 VanDerWaalsContact C-N 3.27Å; L373-P375 WeakPolarHBondContact O-CD 3.31Å; L373-P375 VanDerWaalsContact O-N 3.08Å; P375-K409 PolarHBondContact O-NZ 2.99Å
376	A	94.6	Very high	94.6	Very high	10 Å²	10	29.9 Å²	29.9	8%	0.083	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-95.9	5.5	-178.2	0	0	0	0	0	113.9	L373 S374 F504 L505 V508	L373-A376 PolarHBondContact O-N 2.84Å; S374-A376 PolarHBondContact O-N 3.14Å; A376-F504 HydrophobicContact CB-CD1 4.1Å; A376-F504 HydrophobicContact CB-CE1 4.03Å; A376-L505 HydrophobicContact CB-CD1 3.85Å; A376-V508 HydrophobicContact CB-CB 4.36Å; A376-V508 HydrophobicContact CB-CG1 4.43Å; A376-V508 HydrophobicContact CB-CG2 4Å
377	L	96	Very high	94.5	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	17%	0.171	C	C	.	.	S	Bend	trans	-100.4	-175.4	-178.3	-58	177.1	0	0	0	111.8	L169 S374 F381 Q382 L505	L169-L377 HydrophobicContact CB-CD2 4.05Å; L169-L377 HydrophobicContact CD2-CD1 3.5Å; L169-L377 HydrophobicContact CD2-CD2 4.47Å; S374-L377 PolarHBondContact O-N 3.39Å; L377-F381 HydrophobicContact CB-CB 3.8Å; L377-F381 HydrophobicContact CB-CD2 3.93Å; L377-F381 HydrophobicContact CB-CG 3.88Å; L377-F381 HydrophobicContact CD1-CB 4.14Å; L377-F381 HydrophobicContact CD1-CD1 3.55Å; L377-F381 HydrophobicContact CD1-CD2 4.04Å; L377-F381 HydrophobicContact CD1-CE1 3.93Å; L377-F381 HydrophobicContact CD1-CE2 4.39Å; L377-F381 HydrophobicContact CD1-CG 3.63Å; L377-F381 HydrophobicContact CD1-CZ 4.34Å; L377-F381 HydrophobicContact CG-CG 4.42Å; L377-Q382 PolarHBondContact O-NE2 2.87Å; L377-L505 HydrophobicContact CD2-CB 4.49Å; L377-L505 HydrophobicContact CD2-CD1 4.24Å; L377-L505 HydrophobicContact CD2-CD2 3.77Å; L377-L505 HydrophobicContact CD2-CG 4.38Å
378	D	96.3	Very high	94.4	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.027	18%	0.175	C	C	.	.			trans	-62.8	173	178.7	72.2	42.6	0	0	0	114.3	G165 Q380 F381 Q382	G165-D378 WeakPolarHBondContact CA-OD2 3.35Å; D378-Q380 PolarHBondContact O-N 3.32Å; D378-Q380 WeakPolarHBondContact OD1-CA 3.34Å; D378-Q380 VanDerWaalsContact OD1-CB 3.29Å; D378-Q380 WeakPolarHBondContact OD1-CB 3.48Å; D378-Q380 PolarHBondContact OD1-N 2.97Å; D378-F381 PolarHBondContact O-N 3.03Å; D378-F381 WeakPolarHBondContact OD1-CD2 3.4Å; D378-F381 PolarHBondContact OD1-N 2.9Å; D378-Q382 PolarHBondContact O-N 3.05Å
379	S	95.6	Very high	94.2	Very high	56 Å²	56	37.3 Å²	37.3	39%	0.392	19%	0.185	S	C	.	.	H	α-helix	trans	-56.2	-30.4	-177.6	61.7	0	0	0	0	113.9	E162 E383	E162-S379 WeakPolarHBondContact OE1-CB 3.47Å; E162-S379 PolarHBondContact OE1-N 3.47Å; E162-S379 PolarHBondContact OE1-OG 2.93Å; E162-S379 WeakPolarHBondContact OE2-CB 3.49Å; E162-S379 PolarHBondContact OE2-N 3.28Å; E162-S379 PolarHBondContact OE2-OG 3.04Å; S379-E383 WeakPolarHBondContact O-CB 3.1Å; S379-E383 PolarHBondContact O-N 3.28Å
380	Q	97.1	Very high	94	Very high	107 Å²	107	41 Å²	41	50%	0.5	20%	0.202	S	C	.	.	H	α-helix	trans	-70.3	-40.6	-177.6	-59.1	-178.9	80.4	0	0	111.4	L260 D378 A384	L260-Q380 HydrophobicContact CD1-CB 4.05Å; L260-Q380 HydrophobicContact CD2-CB 3.8Å; L260-Q380 HydrophobicContact CD2-CG 4.43Å; D378-Q380 PolarHBondContact O-N 3.32Å; D378-Q380 WeakPolarHBondContact OD1-CA 3.34Å; D378-Q380 VanDerWaalsContact OD1-CB 3.29Å; D378-Q380 WeakPolarHBondContact OD1-CB 3.48Å; D378-Q380 PolarHBondContact OD1-N 2.97Å; Q380-A384 WeakPolarHBondContact O-CB 3.23Å; Q380-A384 PolarHBondContact O-N 2.88Å
381	F	96.9	Very high	93.7	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-69.2	-44.5	174.8	-72.6	-93.1	0	0	0	111.7	T166 L169 L257 L260 L261 V370 L377 D378 E383 A384 R385	T166-F381 HydrophobicContact CG2-CE2 3.69Å; T166-F381 HydrophobicContact CG2-CZ 3.87Å; L169-F381 HydrophobicContact CD2-CE1 4.2Å; L169-F381 HydrophobicContact CD2-CZ 4.39Å; L257-F381 HydrophobicContact CD2-CD1 3.54Å; L257-F381 HydrophobicContact CD2-CE1 3.97Å; L260-F381 HydrophobicContact CB-CE1 4.15Å; L260-F381 HydrophobicContact CB-CE2 4.05Å; L260-F381 HydrophobicContact CB-CZ 3.63Å; L260-F381 HydrophobicContact CD1-CD1 4.23Å; L260-F381 HydrophobicContact CD1-CD2 4.2Å; L260-F381 HydrophobicContact CD1-CE1 4.21Å; L260-F381 HydrophobicContact CD1-CE2 4.18Å; L260-F381 HydrophobicContact CD1-CG 4.21Å; L260-F381 HydrophobicContact CD1-CZ 4.18Å; L261-F381 HydrophobicContact CD2-CZ 4.26Å; L261-F381 HydrophobicContact CG-CZ 4.28Å; V370-F381 HydrophobicContact CG1-CD1 4.33Å; V370-F381 HydrophobicContact CG1-CE1 4.01Å; L377-F381 HydrophobicContact CB-CB 3.8Å; L377-F381 HydrophobicContact CB-CD2 3.93Å; L377-F381 HydrophobicContact CB-CG 3.88Å; L377-F381 HydrophobicContact CD1-CB 4.14Å; L377-F381 HydrophobicContact CD1-CD1 3.55Å; L377-F381 HydrophobicContact CD1-CD2 4.04Å; L377-F381 HydrophobicContact CD1-CE1 3.93Å; L377-F381 HydrophobicContact CD1-CE2 4.39Å; L377-F381 HydrophobicContact CD1-CG 3.63Å; L377-F381 HydrophobicContact CD1-CZ 4.34Å; L377-F381 HydrophobicContact CG-CG 4.42Å; D378-F381 PolarHBondContact O-N 3.03Å; D378-F381 WeakPolarHBondContact OD1-CD2 3.4Å; D378-F381 PolarHBondContact OD1-N 2.9Å; F381-E383 VanDerWaalsContact C-N 3.31Å; F381-E383 PolarHBondContact O-N 3.35Å; F381-A384 PolarHBondContact O-N 3.29Å; F381-R385 PolarHBondContact O-N 3.29Å; F381-R385 VanDerWaalsContact O-N 3.1Å
382	Q	93.5	Very high	93.4	Very high	49 Å²	49	45 Å²	45	23%	0.229	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-40.3	177.9	-69.7	178.7	67	0	0	111.5	L377 D378 R385 R386	L377-Q382 PolarHBondContact O-NE2 2.87Å; D378-Q382 PolarHBondContact O-N 3.05Å; Q382-R385 PolarHBondContact O-N 3.47Å; Q382-R386 WeakPolarHBondContact O-CB 3.03Å; Q382-R386 PolarHBondContact O-N 2.89Å
383	E	93.7	Very high	93.1	Very high	63 Å²	63	45.3 Å²	45.3	29%	0.294	22%	0.215	S	C	.	.	H	α-helix	trans	-67.7	-41.4	176.8	178.3	57.4	-161.8	0	0	112.3	S379 F381 R385 R386 K387	S379-E383 WeakPolarHBondContact O-CB 3.1Å; S379-E383 PolarHBondContact O-N 3.28Å; F381-E383 VanDerWaalsContact C-N 3.31Å; F381-E383 PolarHBondContact O-N 3.35Å; E383-R385 VanDerWaalsContact C-N 3.3Å; E383-R385 PolarHBondContact O-N 2.84Å; E383-R386 PolarHBondContact O-N 3.16Å; E383-R386 IonicContact OE1-CZ 2.9Å; E383-R386 IonicContact OE1-NE 3.95Å; E383-R386 IonicContact OE1-NH2 2.71Å; E383-R386 PolarHBondContact OE1-NH2 3.13Å; E383-R386 IonicContact OE2-CZ 3.96Å; E383-R386 IonicContact OE2-NE 2.67Å; E383-R386 PolarHBondContact OE2-NE 3.26Å; E383-R386 IonicContact OE2-NH2 2.89Å; E383-R386 PolarHBondContact OE2-NH2 2.95Å; E383-K387 HydrophobicContact CG-CD 4.48Å; E383-K387 WeakPolarHBondContact O-CG 3.41Å; E383-K387 PolarHBondContact O-N 2.9Å; E383-K387 WeakPolarHBondContact OE1-CE 3.48Å; E383-K387 WeakPolarHBondContact OE1-CG 3.07Å
384	A	95.7	Very high	92.7	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-56.1	-46	174	0	0	0	0	0	111.2	Y253 Q256 L257 Q380 F381 K387 L388	Y253-A384 HydrophobicContact CD2-CB 3.91Å; Y253-A384 HydrophobicContact CE2-CB 3.81Å; Q256-A384 HydrophobicContact CG-CB 4.25Å; L257-A384 HydrophobicContact CD2-CB 4.48Å; Q380-A384 WeakPolarHBondContact O-CB 3.23Å; Q380-A384 PolarHBondContact O-N 2.88Å; F381-A384 PolarHBondContact O-N 3.29Å; A384-K387 PolarHBondContact O-N 2.76Å; A384-L388 PolarHBondContact O-N 3.49Å; A384-L388 VanDerWaalsContact O-N 3.14Å
385	R	93.2	Very high	92.3	Very high	94 Å²	94	50.7 Å²	50.7	36%	0.355	24%	0.24	S	C	.	.	H	α-helix	trans	-65.9	-39.8	176.7	-175.2	175.5	-179.9	131.3	-0.7	112.3	Y253 V371 F381 Q382 E383 L388 S389	Y253-R385 HydrophobicContact CE2-CB 4.16Å; V371-R385 PolarHBondContact O-NH1 3.42Å; F381-R385 PolarHBondContact O-N 3.29Å; F381-R385 VanDerWaalsContact O-N 3.1Å; Q382-R385 PolarHBondContact O-N 3.47Å; E383-R385 VanDerWaalsContact C-N 3.3Å; E383-R385 PolarHBondContact O-N 2.84Å; R385-L388 PolarHBondContact O-N 2.89Å; R385-S389 WeakPolarHBondContact O-CB 3.49Å; R385-S389 PolarHBondContact O-N 2.76Å; R385-S389 PolarHBondContact O-OG 3.19Å
386	R	91.3	Very high	91.7	Very high	120 Å²	120	50.6 Å²	50.6	45%	0.453	24%	0.239	S	C	.	.	H	α-helix	trans	-62.6	-45	177.6	-168.4	-167.3	68.2	72.7	2.1	111.2	Q382 E383 S389 Q390	Q382-R386 WeakPolarHBondContact O-CB 3.03Å; Q382-R386 PolarHBondContact O-N 2.89Å; E383-R386 PolarHBondContact O-N 3.16Å; E383-R386 IonicContact OE1-CZ 2.9Å; E383-R386 IonicContact OE1-NE 3.95Å; E383-R386 IonicContact OE1-NH2 2.71Å; E383-R386 PolarHBondContact OE1-NH2 3.13Å; E383-R386 IonicContact OE2-CZ 3.96Å; E383-R386 IonicContact OE2-NE 2.67Å; E383-R386 PolarHBondContact OE2-NE 3.26Å; E383-R386 IonicContact OE2-NH2 2.89Å; E383-R386 PolarHBondContact OE2-NH2 2.95Å; R386-S389 PolarHBondContact O-N 2.95Å; R386-Q390 WeakPolarHBondContact O-CB 3.43Å; R386-Q390 PolarHBondContact O-N 3.02Å
387	K	93	Very high	91	Very high	106 Å²	106	58.6 Å²	58.6	46%	0.461	28%	0.275	S	S	.	.	H	α-helix	trans	-59.1	-49.3	176.3	-73.9	178.4	-178.4	178.5	0	111.7	E383 A384 S389 Q390 K391	E383-K387 HydrophobicContact CG-CD 4.48Å; E383-K387 WeakPolarHBondContact O-CG 3.41Å; E383-K387 PolarHBondContact O-N 2.9Å; E383-K387 WeakPolarHBondContact OE1-CE 3.48Å; E383-K387 WeakPolarHBondContact OE1-CG 3.07Å; A384-K387 PolarHBondContact O-N 2.76Å; K387-S389 PolarHBondContact O-N 3.22Å; K387-Q390 PolarHBondContact O-N 2.78Å; K387-K391 WeakPolarHBondContact O-CB 3.17Å; K387-K391 PolarHBondContact O-N 3.34Å
388	L	92.3	Very high	90	Very high	18 Å²	18	62 Å²	62	9%	0.094	29%	0.29	C	S	.	.	H	α-helix	trans	-57.4	-50.5	175	176.5	68.1	0	0	0	110.9	E249 Y250 Y253 A384 R385 Q390 K391 L392	E249-L388 HydrophobicContact CB-CD1 4.22Å; Y250-L388 HydrophobicContact CD2-CD1 4.3Å; Y250-L388 HydrophobicContact CD2-CD2 3.64Å; Y250-L388 HydrophobicContact CE2-CD2 3.95Å; Y253-L388 HydrophobicContact CD1-CD2 3.46Å; Y253-L388 VanDerWaalsContact CD1-CD2 3.46Å; Y253-L388 HydrophobicContact CD2-CB 4.34Å; Y253-L388 HydrophobicContact CD2-CD2 4.46Å; Y253-L388 HydrophobicContact CE1-CD2 3.86Å; Y253-L388 HydrophobicContact CG-CB 4.21Å; Y253-L388 HydrophobicContact CG-CD2 3.76Å; Y253-L388 HydrophobicContact CG-CG 4.46Å; A384-L388 PolarHBondContact O-N 3.49Å; A384-L388 VanDerWaalsContact O-N 3.14Å; R385-L388 PolarHBondContact O-N 2.89Å; L388-Q390 VanDerWaalsContact C-N 3.31Å; L388-Q390 PolarHBondContact O-N 3.35Å; L388-K391 PolarHBondContact O-N 2.86Å; L388-L392 HydrophobicContact CD1-CD1 4.06Å; L388-L392 HydrophobicContact CD1-CD2 4.24Å; L388-L392 HydrophobicContact CD1-CG 3.93Å; L388-L392 HydrophobicContact CD2-CD1 4.42Å; L388-L392 HydrophobicContact CG-CD1 3.94Å; L388-L392 HydrophobicContact CG-CG 4.17Å; L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 2.86Å
389	S	90.1	Very high	88.9	Confident	43 Å²	43	63.7 Å²	63.7	30%	0.301	30%	0.302	S	S	.	.	H	α-helix	trans	-60.2	-40.6	-177.8	-59	0	0	0	0	112.3	R385 R386 K387 R393	R385-S389 WeakPolarHBondContact O-CB 3.49Å; R385-S389 PolarHBondContact O-N 2.76Å; R385-S389 PolarHBondContact O-OG 3.19Å; R386-S389 PolarHBondContact O-N 2.95Å; K387-S389 PolarHBondContact O-N 3.22Å; S389-R393 VanDerWaalsContact O-CG 3.31Å; S389-R393 WeakPolarHBondContact O-CG 3.47Å; S389-R393 PolarHBondContact O-N 3.19Å
390	Q	90.1	Very high	88	Confident	77 Å²	77	66 Å²	66	36%	0.36	32%	0.315	S	S	.	.	H	α-helix	trans	-63.5	-45.5	174.3	-178.3	178.7	-20.2	0	0	110.4	R386 K387 L388 R393 E394	R386-Q390 WeakPolarHBondContact O-CB 3.43Å; R386-Q390 PolarHBondContact O-N 3.02Å; K387-Q390 PolarHBondContact O-N 2.78Å; L388-Q390 VanDerWaalsContact C-N 3.31Å; L388-Q390 PolarHBondContact O-N 3.35Å; Q390-R393 PolarHBondContact O-N 2.95Å; Q390-E394 PolarHBondContact NE2-OE1 3.34Å; Q390-E394 WeakPolarHBondContact O-CG 3.26Å; Q390-E394 PolarHBondContact O-N 3.46Å
391	K	91	Very high	86.8	Confident	71 Å²	71	65.1 Å²	65.1	31%	0.309	31%	0.312	S	S	.	.	H	α-helix	trans	-67.3	-41.3	-177.4	-164.6	61.8	-179.4	172.9	0	113.3	E249 K387 L388 R393 E394 L395	E249-K391 HydrophobicContact CB-CG 4.26Å; E249-K391 HydrophobicContact CG-CG 3.6Å; K387-K391 WeakPolarHBondContact O-CB 3.17Å; K387-K391 PolarHBondContact O-N 3.34Å; L388-K391 PolarHBondContact O-N 2.86Å; K391-R393 VanDerWaalsContact C-N 3.26Å; K391-R393 PolarHBondContact O-N 3.43Å; K391-E394 VanDerWaalsContact CD-OE2 3.29Å; K391-E394 WeakPolarHBondContact CD-OE2 3.41Å; K391-E394 IonicContact NZ-OE2 2.69Å; K391-E394 PolarHBondContact NZ-OE2 3.21Å; K391-E394 WeakPolarHBondContact O-CB 3.5Å; K391-E394 PolarHBondContact O-N 3.29Å; K391-L395 HydrophobicContact CG-CD1 4.47Å; K391-L395 WeakPolarHBondContact O-CG 3.33Å; K391-L395 PolarHBondContact O-N 2.81Å
392	L	87.8	Confident	85.6	Confident	17 Å²	17	68.8 Å²	68.8	9%	0.089	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-37.1	174.8	-67.2	-178.6	0	0	0	111.5	I246 L388 L395 T396	I246-L392 HydrophobicContact CB-CD2 4.25Å; I246-L392 HydrophobicContact CG1-CD2 4.01Å; I246-L392 HydrophobicContact CG2-CD2 3.83Å; L388-L392 HydrophobicContact CD1-CD1 4.06Å; L388-L392 HydrophobicContact CD1-CD2 4.24Å; L388-L392 HydrophobicContact CD1-CG 3.93Å; L388-L392 HydrophobicContact CD2-CD1 4.42Å; L388-L392 HydrophobicContact CG-CD1 3.94Å; L388-L392 HydrophobicContact CG-CG 4.17Å; L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 2.86Å; L392-L395 PolarHBondContact O-N 3.06Å; L392-T396 WeakPolarHBondContact O-CB 3.32Å; L392-T396 WeakPolarHBondContact O-CG2 3.4Å; L392-T396 PolarHBondContact O-N 3.44Å; L392-T396 PolarHBondContact O-OG1 3.41Å
393	R	85.7	Confident	84.8	Confident	61 Å²	61	71.5 Å²	71.5	23%	0.23	37%	0.367	C	S	.	.	H	α-helix	trans	-67.4	-44.1	174.4	-73.1	176.3	179.4	-74.5	-4	112.2	S389 Q390 K391 L395 T396 E397 Q398 P399 M401	S389-R393 VanDerWaalsContact O-CG 3.31Å; S389-R393 WeakPolarHBondContact O-CG 3.47Å; S389-R393 PolarHBondContact O-N 3.19Å; Q390-R393 PolarHBondContact O-N 2.95Å; K391-R393 VanDerWaalsContact C-N 3.26Å; K391-R393 PolarHBondContact O-N 3.43Å; R393-L395 VanDerWaalsContact C-N 3.32Å; R393-L395 PolarHBondContact O-N 3.08Å; R393-T396 CarbonylContact O-C 3.27Å; R393-T396 PolarHBondContact O-N 3.41Å; R393-T396 PolarHBondContact O-OG1 2.03Å; R393-E397 PolarHBondContact O-N 3.38Å; R393-Q398 HydrophobicContact CB-CB 3.94Å; R393-Q398 HydrophobicContact CG-CB 3.97Å; R393-Q398 PolarHBondContact O-N 2.93Å; R393-P399 WeakPolarHBondContact CD-O 3.44Å; R393-M401 PolarHBondContact NE-SD 3.37Å; R393-M401 PolarHBondContact NH2-SD 3.09Å
394	E	87.3	Confident	84.3	Confident	96 Å²	96	74.9 Å²	74.9	45%	0.449	38%	0.377	S	S	.	.	H	α-helix	trans	-56.1	-46.5	173.1	-71.4	171.1	-163.8	0	0	111.7	Q390 K391 T396 E397	Q390-E394 PolarHBondContact NE2-OE1 3.34Å; Q390-E394 WeakPolarHBondContact O-CG 3.26Å; Q390-E394 PolarHBondContact O-N 3.46Å; K391-E394 VanDerWaalsContact CD-OE2 3.29Å; K391-E394 WeakPolarHBondContact CD-OE2 3.41Å; K391-E394 IonicContact NZ-OE2 2.69Å; K391-E394 PolarHBondContact NZ-OE2 3.21Å; K391-E394 WeakPolarHBondContact O-CB 3.5Å; K391-E394 PolarHBondContact O-N 3.29Å; E394-T396 VanDerWaalsContact C-N 3.28Å; E394-T396 PolarHBondContact O-N 3Å; E394-E397 PolarHBondContact O-N 3.14Å
395	L	85.9	Confident	84.2	Confident	28 Å²	28	77.7 Å²	77.7	15%	0.147	40%	0.395	C	S	.	.	H	α-helix	trans	-68.6	-25	-180	-70	177.4	0	0	0	113.9	Q245 I246 E249 K391 L392 R393	Q245-L395 HydrophobicContact CB-CD1 4.01Å; Q245-L395 HydrophobicContact CB-CD2 4.06Å; I246-L395 HydrophobicContact CG1-CB 4.39Å; I246-L395 HydrophobicContact CG1-CD1 3.86Å; E249-L395 HydrophobicContact CG-CD1 4.16Å; K391-L395 HydrophobicContact CG-CD1 4.47Å; K391-L395 WeakPolarHBondContact O-CG 3.33Å; K391-L395 PolarHBondContact O-N 2.81Å; L392-L395 PolarHBondContact O-N 3.06Å; R393-L395 VanDerWaalsContact C-N 3.32Å; R393-L395 PolarHBondContact O-N 3.08Å
396	T	78.6	Confident	84.2	Confident	33 Å²	33	75.9 Å²	75.9	20%	0.202	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	14.1	179.5	56.4	0	0	0	0	112.6	I246 L392 R393 E394 Q398	I246-T396 HydrophobicContact CD1-CG2 4.29Å; L392-T396 WeakPolarHBondContact O-CB 3.32Å; L392-T396 WeakPolarHBondContact O-CG2 3.4Å; L392-T396 PolarHBondContact O-N 3.44Å; L392-T396 PolarHBondContact O-OG1 3.41Å; R393-T396 CarbonylContact O-C 3.27Å; R393-T396 PolarHBondContact O-N 3.41Å; R393-T396 PolarHBondContact O-OG1 2.03Å; E394-T396 VanDerWaalsContact C-N 3.28Å; E394-T396 PolarHBondContact O-N 3Å; T396-Q398 PolarHBondContact O-N 3.09Å; T396-Q398 WeakPolarHBondContact OG1-CG 3.47Å; T396-Q398 PolarHBondContact OG1-NE2 3.5Å
397	E	80.2	Confident	84.5	Confident	179 Å²	179	71.6 Å²	71.6	84%	0.836	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	25.5	-179.7	-55.6	-174.9	168.3	0	0	113.8	R393 E394	R393-E397 PolarHBondContact O-N 3.38Å; E394-E397 PolarHBondContact O-N 3.14Å
398	Q	74.8	Confident	84.6	Confident	76 Å²	76	67.3 Å²	67.3	36%	0.355	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-83.3	147.6	175.1	-65.9	-175.3	24.4	0	0	110.4	R393 T396	R393-Q398 HydrophobicContact CB-CB 3.94Å; R393-Q398 HydrophobicContact CG-CB 3.97Å; R393-Q398 PolarHBondContact O-N 2.93Å; T396-Q398 PolarHBondContact O-N 3.09Å; T396-Q398 WeakPolarHBondContact OG1-CG 3.47Å; T396-Q398 PolarHBondContact OG1-NE2 3.5Å
399	P	72.6	Confident	84.7	Confident	41 Å²	41	68.6 Å²	68.6	27%	0.266	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-59.7	150.7	176.4	24.9	-34.2	0	0	0	111.3	R393 Q688	R393-P399 WeakPolarHBondContact CD-O 3.44Å; P399-Q688 HydrophobicContact CG-CG 4.17Å
400	P	76.3	Confident	85	Confident	104 Å²	104	66.5 Å²	66.5	68%	0.675	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-53.7	145.5	174.9	-23.4	32.4	0	0	0	111.4
401	M	72.1	Confident	85.4	Confident	89 Å²	89	63 Å²	63	44%	0.438	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-61.2	129.7	172.2	-84.9	-60.8	-70.3	0	0	109.8	R393 A403	R393-M401 PolarHBondContact NE-SD 3.37Å; R393-M401 PolarHBondContact NH2-SD 3.09Å; M401-A403 PolarHBondContact O-N 3.22Å
402	P	73.2	Confident	85.6	Confident	78 Å²	78	62.7 Å²	62.7	51%	0.506	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-63.3	135.7	170.7	25.4	-31.5	0	0	0	109.3	R404	P402-R404 PolarHBondContact O-N 3.42Å; P402-R404 VanDerWaalsContact O-N 3.13Å
403	A	76.7	Confident	85.9	Confident	106 Å²	106	63.6 Å²	63.6	88%	0.876	33%	0.331	S	S	*	.			trans	-63.8	114.2	171.7	0	0	0	0	0	108.8	M401	M401-A403 PolarHBondContact O-N 3.22Å
404	R	83.2	Confident	86.5	Confident	135 Å²	135	60.7 Å²	60.7	51%	0.509	32%	0.32	S	S	.	.			trans	-98	133.6	175.4	-65.7	-172.9	-175.2	-176.6	3.3	109.5	P402 M408 E412	P402-R404 PolarHBondContact O-N 3.42Å; P402-R404 VanDerWaalsContact O-N 3.13Å; R404-M408 HydrophobicContact CG-SD 4.39Å; R404-E412 IonicContact NH1-OE1 3.77Å; R404-E412 PolarHBondContact NH1-OE1 3.47Å; R404-E412 IonicContact NH1-OE2 3.44Å
405	P	92.9	Very high	86.9	Confident	59 Å²	59	56.3 Å²	56.3	38%	0.383	30%	0.301	S	S	.	.			trans	-66.4	147.3	175.3	29.6	-35.4	0	0	0	110.4	W407 M408	P405-W407 VanDerWaalsContact C-N 3.26Å; P405-W407 HydrophobicContact CB-CG 4.43Å; P405-W407 HydrophobicContact CG-CD2 4.43Å; P405-W407 HydrophobicContact CG-CG 4.43Å; P405-W407 HydrophobicContact CG-CZ2 4.14Å; P405-W407 PolarHBondContact O-N 2.96Å; P405-M408 HydrophobicContact CG-CB 4.21Å; P405-M408 WeakPolarHBondContact O-CB 3.39Å; P405-M408 PolarHBondContact O-N 3.32Å
406	R	93.5	Very high	87.2	Confident	57 Å²	57	58.7 Å²	58.7	22%	0.215	32%	0.317	C	S	.	.	H	α-helix	trans	-52.3	-41.8	-176.3	-175.3	176.7	-171.3	80	6.2	113.3	C155 M156 M408 K409 C410	C155-R406 PolarHBondContact O-NE 2.88Å; C155-R406 PolarHBondContact O-NH2 3.35Å; M156-R406 HydrophobicContact SD-CG 4.19Å; R406-M408 PolarHBondContact O-N 3.21Å; R406-M408 VanDerWaalsContact O-N 3.11Å; R406-K409 WeakPolarHBondContact O-CB 3.4Å; R406-K409 PolarHBondContact O-N 2.72Å; R406-K409 VanDerWaalsContact O-N 3.09Å; R406-C410 PolarHBondContact O-N 3.43Å; R406-C410 PolarHBondContact O-SG 3.12Å
407	W	96.4	Very high	88	Confident	29 Å²	29	57.9 Å²	57.9	11%	0.11	31%	0.311	C	S	.	.	H	α-helix	trans	-55.1	-33.7	179.4	72.9	-104.9	0	0	0	112.5	K126 N127 R130 M156 P405 C410 V411	K126-W407 HydrophobicContact CB-CH2 4.13Å; K126-W407 HydrophobicContact CB-CZ3 3.9Å; N127-W407 WeakPolarHBondContact OD1-CH2 2.98Å; N127-W407 WeakPolarHBondContact OD1-CZ2 3.4Å; R130-W407 HydrophobicContact CB-CE3 3.89Å; R130-W407 HydrophobicContact CB-CZ3 4.05Å; R130-W407 HydrophobicContact CG-CD2 4.37Å; R130-W407 HydrophobicContact CG-CE3 3.94Å; M156-W407 HydrophobicContact CE-CB 3.97Å; M156-W407 VanDerWaalsContact SD-CA 3.5Å; M156-W407 HydrophobicContact SD-CB 3.92Å; P405-W407 VanDerWaalsContact C-N 3.26Å; P405-W407 HydrophobicContact CB-CG 4.43Å; P405-W407 HydrophobicContact CG-CD2 4.43Å; P405-W407 HydrophobicContact CG-CG 4.43Å; P405-W407 HydrophobicContact CG-CZ2 4.14Å; P405-W407 PolarHBondContact O-N 2.96Å; W407-C410 PolarHBondContact O-N 3.13Å; W407-V411 HydrophobicContact CE3-CG2 3.94Å; W407-V411 HydrophobicContact CZ3-CG2 4.28Å; W407-V411 VanDerWaalsContact O-CG2 3.29Å; W407-V411 WeakPolarHBondContact O-CG2 3.23Å; W407-V411 PolarHBondContact O-N 2.87Å
408	M	95.6	Very high	88.7	Confident	16 Å²	16	49.4 Å²	49.4	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-69.9	-42	-178.2	-171.3	174.7	-74.9	0	0	110.9	T123 K126 R404 P405 R406 V411 E412	T123-M408 HydrophobicContact CG2-CE 4.06Å; K126-M408 HydrophobicContact CD-CE 4.36Å; K126-M408 HydrophobicContact CD-CG 3.76Å; K126-M408 HydrophobicContact CD-SD 4.12Å; R404-M408 HydrophobicContact CG-SD 4.39Å; P405-M408 HydrophobicContact CG-CB 4.21Å; P405-M408 WeakPolarHBondContact O-CB 3.39Å; P405-M408 PolarHBondContact O-N 3.32Å; R406-M408 PolarHBondContact O-N 3.21Å; R406-M408 VanDerWaalsContact O-N 3.11Å; M408-V411 PolarHBondContact O-N 2.93Å; M408-E412 WeakPolarHBondContact O-CG 3.44Å; M408-E412 PolarHBondContact O-N 3.22Å
409	K	93.8	Very high	89.5	Confident	45 Å²	45	48.7 Å²	48.7	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-60.8	-46.4	171.6	174.3	-175.7	171.1	-173.1	0	110.8	P375 R406 V411 E412 E413	P375-K409 PolarHBondContact O-NZ 2.99Å; R406-K409 WeakPolarHBondContact O-CB 3.4Å; R406-K409 PolarHBondContact O-N 2.72Å; R406-K409 VanDerWaalsContact O-N 3.09Å; K409-V411 VanDerWaalsContact C-N 3.33Å; K409-V411 PolarHBondContact O-N 3.09Å; K409-E412 PolarHBondContact O-N 2.84Å; K409-E412 VanDerWaalsContact O-N 3.16Å; K409-E413 WeakPolarHBondContact CE-OE1 3.43Å; K409-E413 HydrophobicContact CG-CG 4.47Å; K409-E413 WeakPolarHBondContact CG-OE1 3.49Å; K409-E413 IonicContact NZ-OE1 2.68Å; K409-E413 PolarHBondContact O-N 3.5Å
410	C	97.4	Very high	90.3	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-36.8	179.8	-62	0	0	0	0	112.6	Y152 C155 M156 R406 W407 T414	Y152-C410 HydrophobicContact CD2-CB 3.68Å; Y152-C410 HydrophobicContact CE2-CB 3.63Å; C155-C410 HydrophobicContact CB-CB 3.64Å; C155-C410 WeakPolarHBondContact CB-SG 3.49Å; C155-C410 WeakPolarHBondContact SG-CA 3.35Å; C155-C410 WeakPolarHBondContact SG-CB 3.31Å; C155-C410 CovalentContact SG-SG 2.04Å; C155-C410 PolarHBondContact SG-SG 2.7Å; M156-C410 HydrophobicContact CG-CB 4.29Å; M156-C410 HydrophobicContact SD-CB 4.11Å; M156-C410 VanDerWaalsContact SD-SG 3.7Å; R406-C410 PolarHBondContact O-N 3.43Å; R406-C410 PolarHBondContact O-SG 3.12Å; W407-C410 PolarHBondContact O-N 3.13Å; C410-T414 VanDerWaalsContact O-CB 3.25Å; C410-T414 WeakPolarHBondContact O-CB 3.18Å; C410-T414 PolarHBondContact O-N 3.11Å; C410-T414 PolarHBondContact O-OG1 3.25Å
411	V	97.8	Very high	91.1	Very high	2 Å²	2	43 Å²	43	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-45.3	171.6	168.1	0	0	0	0	111.1	K126 L129 R130 L133 Y152 W407 M408 K409 T414 G415	K126-V411 HydrophobicContact CB-CG1 4.43Å; K126-V411 HydrophobicContact CG-CG1 4.47Å; L129-V411 HydrophobicContact CB-CG1 3.69Å; L129-V411 HydrophobicContact CD1-CG1 3.79Å; L129-V411 HydrophobicContact CG-CG1 4.43Å; R130-V411 HydrophobicContact CB-CG2 3.96Å; L133-V411 HydrophobicContact CD1-CG2 4.13Å; Y152-V411 HydrophobicContact CE2-CG2 3.94Å; W407-V411 HydrophobicContact CE3-CG2 3.94Å; W407-V411 HydrophobicContact CZ3-CG2 4.28Å; W407-V411 VanDerWaalsContact O-CG2 3.29Å; W407-V411 WeakPolarHBondContact O-CG2 3.23Å; W407-V411 PolarHBondContact O-N 2.87Å; M408-V411 PolarHBondContact O-N 2.93Å; K409-V411 VanDerWaalsContact C-N 3.33Å; K409-V411 PolarHBondContact O-N 3.09Å; V411-T414 PolarHBondContact O-N 3.24Å; V411-G415 PolarHBondContact O-N 2.85Å
412	E	95	Very high	92.2	Very high	65 Å²	65	38.8 Å²	38.8	30%	0.304	21%	0.21	S	C	.	.	H	α-helix	trans	-62.7	-45.1	179.3	-73	170.5	174.2	0	0	111.8	K126 R404 M408 K409 G415 T416	K126-E412 WeakPolarHBondContact CE-OE1 3.46Å; K126-E412 IonicContact NZ-OE1 3.12Å; K126-E412 PolarHBondContact NZ-OE1 3.06Å; R404-E412 IonicContact NH1-OE1 3.77Å; R404-E412 PolarHBondContact NH1-OE1 3.47Å; R404-E412 IonicContact NH1-OE2 3.44Å; M408-E412 WeakPolarHBondContact O-CG 3.44Å; M408-E412 PolarHBondContact O-N 3.22Å; K409-E412 PolarHBondContact O-N 2.84Å; K409-E412 VanDerWaalsContact O-N 3.16Å; E412-G415 PolarHBondContact O-N 3.11Å; E412-T416 PolarHBondContact O-N 2.94Å; E412-T416 PolarHBondContact O-OG1 3.38Å
413	E	95.4	Very high	93.1	Very high	36 Å²	36	35.1 Å²	35.1	17%	0.168	19%	0.186	C	C	.	.	H	α-helix	trans	-68.5	-41.4	178.1	-70.1	-174.5	-158.6	0	0	111.8	F151 K409 G415 T416 F417 F504	F151-E413 HydrophobicContact CE1-CB 4Å; F151-E413 HydrophobicContact CZ-CB 4.39Å; K409-E413 WeakPolarHBondContact CE-OE1 3.43Å; K409-E413 HydrophobicContact CG-CG 4.47Å; K409-E413 WeakPolarHBondContact CG-OE1 3.49Å; K409-E413 IonicContact NZ-OE1 2.68Å; K409-E413 PolarHBondContact O-N 3.5Å; E413-G415 VanDerWaalsContact C-N 3.34Å; E413-G415 PolarHBondContact O-N 3.27Å; E413-T416 WeakPolarHBondContact O-CB 3.49Å; E413-T416 PolarHBondContact O-N 3.23Å; E413-T416 VanDerWaalsContact O-N 3.17Å; E413-F417 HydrophobicContact CB-CE2 4.49Å; E413-F417 WeakPolarHBondContact O-CD2 3.47Å; E413-F417 PolarHBondContact O-N 3.19Å; E413-F417 VanDerWaalsContact O-N 3.11Å; E413-F504 VanDerWaalsContact OE2-CZ 3.32Å; E413-F504 WeakPolarHBondContact OE2-CZ 3.49Å
414	T	97.3	Very high	93.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-43.9	174.4	-52.7	0	0	0	0	110.8	L133 A148 F151 C410 V411 T416 F417 F418 L422	L133-T414 HydrophobicContact CD1-CG2 4.06Å; L133-T414 HydrophobicContact CD2-CG2 3.9Å; A148-T414 HydrophobicContact CB-CG2 3.91Å; F151-T414 HydrophobicContact CD1-CG2 4.39Å; F151-T414 WeakPolarHBondContact CD1-OG1 3.02Å; C410-T414 VanDerWaalsContact O-CB 3.25Å; C410-T414 WeakPolarHBondContact O-CB 3.18Å; C410-T414 PolarHBondContact O-N 3.11Å; C410-T414 PolarHBondContact O-OG1 3.25Å; V411-T414 PolarHBondContact O-N 3.24Å; T414-T416 VanDerWaalsContact C-N 3.27Å; T414-T416 PolarHBondContact O-N 2.98Å; T414-F417 PolarHBondContact O-N 3.17Å; T414-F418 HydrophobicContact CG2-CD2 4.02Å; T414-F418 WeakPolarHBondContact O-CB 3.48Å; T414-F418 PolarHBondContact O-N 2.93Å; T414-L422 HydrophobicContact CG2-CD1 4.09Å; T414-L422 HydrophobicContact CG2-CD2 4.24Å
415	G	95.3	Very high	94.3	Very high	4 Å²	4	24.2 Å²	24.2	4%	0.041	12%	0.124	C	C	.	.	H	α-helix	trans	-59.4	-35.6	174.2	0	0	0	0	0	113.2	V411 E412 E413 E419	V411-G415 PolarHBondContact O-N 2.85Å; E412-G415 PolarHBondContact O-N 3.11Å; E413-G415 VanDerWaalsContact C-N 3.34Å; E413-G415 PolarHBondContact O-N 3.27Å; G415-E419 WeakPolarHBondContact O-CA 2.86Å; G415-E419 VanDerWaalsContact O-CB 3.23Å; G415-E419 WeakPolarHBondContact O-CB 2.87Å; G415-E419 PolarHBondContact O-N 2.79Å; G415-E419 VanDerWaalsContact O-N 3.13Å
416	T	93.6	Very high	94.4	Very high	79 Å²	79	21.4 Å²	21.4	49%	0.485	11%	0.106	S	C	.	.	H	α-helix	trans	-66	-45.3	175.8	-56.8	0	0	0	0	112	E412 E413 T414 L515	E412-T416 PolarHBondContact O-N 2.94Å; E412-T416 PolarHBondContact O-OG1 3.38Å; E413-T416 WeakPolarHBondContact O-CB 3.49Å; E413-T416 PolarHBondContact O-N 3.23Å; E413-T416 VanDerWaalsContact O-N 3.17Å; T414-T416 VanDerWaalsContact C-N 3.27Å; T414-T416 PolarHBondContact O-N 2.98Å; T416-L515 HydrophobicContact CG2-CD2 4.03Å
417	F	94.6	Very high	94.3	Very high	16 Å²	16	19.1 Å²	19.1	7%	0.07	10%	0.098	C	C	.	.	H	α-helix	trans	-87.5	-25.8	-172.8	-62.8	-52	0	0	0	114.4	F151 E413 T414 V508 C511 V512 L515 R518	F151-F417 AromaticContact CE1-CD2 3.78Å; F151-F417 HydrophobicContact CE1-CD2 3.78Å; F151-F417 HydrophobicContact CE1-CE2 4.22Å; F151-F417 AromaticContact CE2-CD2 3.9Å; F151-F417 HydrophobicContact CE2-CD2 3.9Å; F151-F417 HydrophobicContact CE2-CE2 4.09Å; F151-F417 AromaticContact CZ-CD2 3.42Å; F151-F417 HydrophobicContact CZ-CD2 3.42Å; F151-F417 VanDerWaalsContact CZ-CD2 3.42Å; F151-F417 AromaticContact CZ-CE2 3.52Å; F151-F417 HydrophobicContact CZ-CE2 3.52Å; E413-F417 HydrophobicContact CB-CE2 4.49Å; E413-F417 WeakPolarHBondContact O-CD2 3.47Å; E413-F417 PolarHBondContact O-N 3.19Å; E413-F417 VanDerWaalsContact O-N 3.11Å; T414-F417 PolarHBondContact O-N 3.17Å; F417-V508 HydrophobicContact CZ-CG1 4.26Å; F417-C511 HydrophobicContact CB-CB 3.85Å; F417-C511 HydrophobicContact CD1-CB 3.5Å; F417-C511 VanDerWaalsContact CD1-CB 3.5Å; F417-C511 HydrophobicContact CD2-CB 3.72Å; F417-C511 HydrophobicContact CE1-CB 3.88Å; F417-C511 HydrophobicContact CE2-CB 4.08Å; F417-C511 HydrophobicContact CG-CB 3.41Å; F417-C511 VanDerWaalsContact CG-CB 3.41Å; F417-C511 HydrophobicContact CZ-CB 4.16Å; F417-V512 HydrophobicContact CE1-CG2 3.87Å; F417-V512 HydrophobicContact CZ-CG2 3.97Å; F417-L515 HydrophobicContact CD1-CB 4.41Å; F417-L515 HydrophobicContact CD1-CD2 4.1Å; F417-L515 HydrophobicContact CE1-CD2 4.3Å; F417-R518 PolarHBondContact O-NH2 3.29Å
418	F	94.6	Very high	94	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-122.9	32.4	-176.3	-58.9	-85.8	0	0	0	111.4	K147 A148 F151 T414 P420 T421 L422 Y495 I498	K147-F418 HydrophobicContact CB-CD1 4.4Å; K147-F418 HydrophobicContact CB-CE1 3.54Å; K147-F418 HydrophobicContact CB-CZ 3.99Å; A148-F418 HydrophobicContact CB-CB 3.96Å; A148-F418 HydrophobicContact CB-CD1 4.29Å; A148-F418 HydrophobicContact CB-CD2 4.22Å; A148-F418 HydrophobicContact CB-CG 3.9Å; F151-F418 HydrophobicContact CB-CD2 4.43Å; F151-F418 HydrophobicContact CB-CE2 3.53Å; F151-F418 HydrophobicContact CB-CZ 4.1Å; F151-F418 HydrophobicContact CD1-CE2 4.16Å; F151-F418 HydrophobicContact CD2-CE2 4.25Å; F151-F418 AromaticContact CG-CE2 3.71Å; F151-F418 HydrophobicContact CG-CE2 3.71Å; T414-F418 HydrophobicContact CG2-CD2 4.02Å; T414-F418 WeakPolarHBondContact O-CB 3.48Å; T414-F418 PolarHBondContact O-N 2.93Å; F418-P420 VanDerWaalsContact C-N 3.35Å; F418-T421 PolarHBondContact O-N 3.14Å; F418-T421 VanDerWaalsContact O-N 3.12Å; F418-L422 HydrophobicContact CB-CD1 3.8Å; F418-L422 WeakPolarHBondContact O-CD1 3.29Å; F418-L422 PolarHBondContact O-N 3.29Å; F418-Y495 HydrophobicContact CD1-CD1 4.41Å; F418-Y495 AromaticContact CD1-CD2 3.96Å; F418-Y495 HydrophobicContact CD1-CD2 3.96Å; F418-Y495 HydrophobicContact CD1-CE1 4.24Å; F418-Y495 AromaticContact CD1-CE2 3.76Å; F418-Y495 HydrophobicContact CD1-CE2 3.76Å; F418-Y495 HydrophobicContact CD1-CG 4.27Å; F418-Y495 AromaticContact CD1-CZ 3.9Å; F418-Y495 HydrophobicContact CE1-CD2 4.13Å; F418-Y495 HydrophobicContact CE1-CE2 4.4Å; F418-Y495 HydrophobicContact CE1-CG 4.19Å; F418-I498 HydrophobicContact CD1-CD1 4.41Å; F418-I498 HydrophobicContact CE1-CD1 3.6Å; F418-I498 HydrophobicContact CZ-CD1 3.83Å; F418-I498 HydrophobicContact CZ-CG2 4.29Å
419	E	91.9	Very high	93.8	Very high	62 Å²	62	28.4 Å²	28.4	29%	0.29	14%	0.136	S	C	.	.	H	α-helix	trans	-49.5	-48.3	-176.4	-167.7	-151.2	136.6	0	0	112.7	G415 T421 L422 A423 W537	G415-E419 WeakPolarHBondContact O-CA 2.86Å; G415-E419 VanDerWaalsContact O-CB 3.23Å; G415-E419 WeakPolarHBondContact O-CB 2.87Å; G415-E419 PolarHBondContact O-N 2.79Å; G415-E419 VanDerWaalsContact O-N 3.13Å; E419-T421 VanDerWaalsContact C-N 3.3Å; E419-T421 PolarHBondContact O-N 3.39Å; E419-L422 PolarHBondContact O-N 3.21Å; E419-A423 WeakPolarHBondContact O-CB 3.4Å; E419-A423 PolarHBondContact O-N 3.41Å; E419-W537 HydrophobicContact CG-CH2 3.89Å
420	P	90.2	Very high	93.6	Very high	26 Å²	26	27 Å²	27	17%	0.169	13%	0.132	C	C	.	.	H	α-helix	trans	-60.1	-39.8	-177.8	-25	35.7	0	0	0	113.8	F418 A424 W484	F418-P420 VanDerWaalsContact C-N 3.35Å; P420-A424 PolarHBondContact O-N 3.11Å; P420-W484 HydrophobicContact CB-CH2 4.3Å; P420-W484 HydrophobicContact CB-CZ3 3.85Å; P420-W484 HydrophobicContact CG-CZ3 4.49Å
421	T	92.9	Very high	93.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.8	-51.4	176.1	-67.7	0	0	0	0	111.6	E145 F418 E419 A423 A424 L425 L490 A491 Y495	E145-T421 HydrophobicContact CG-CG2 4.46Å; F418-T421 PolarHBondContact O-N 3.14Å; F418-T421 VanDerWaalsContact O-N 3.12Å; E419-T421 VanDerWaalsContact C-N 3.3Å; E419-T421 PolarHBondContact O-N 3.39Å; T421-A423 PolarHBondContact O-N 3.16Å; T421-A424 PolarHBondContact O-N 3.11Å; T421-L425 HydrophobicContact CG2-CD1 3.86Å; T421-L425 VanDerWaalsContact O-CG 3.3Å; T421-L425 WeakPolarHBondContact O-CG 3.48Å; T421-L425 PolarHBondContact O-N 3.16Å; T421-L425 VanDerWaalsContact O-N 3.08Å; T421-L490 PolarHBondContact OG1-O 3.48Å; T421-A491 WeakPolarHBondContact CG2-O 3.19Å; T421-Y495 WeakPolarHBondContact OG1-CE2 3.37Å; T421-Y495 PolarHBondContact OG1-OH 3.27Å
422	L	94.3	Very high	92.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.9	-29.7	-178.8	-86.8	73.8	0	0	0	111.6	L129 L133 A148 T414 F418 E419 L425 F426 W537	L129-L422 HydrophobicContact CD2-CB 4.32Å; L129-L422 HydrophobicContact CD2-CD2 4.17Å; L129-L422 HydrophobicContact CD2-CG 4.39Å; L133-L422 HydrophobicContact CD1-CD2 4.25Å; L133-L422 HydrophobicContact CD2-CD1 4.45Å; A148-L422 HydrophobicContact CB-CD1 3.84Å; T414-L422 HydrophobicContact CG2-CD1 4.09Å; T414-L422 HydrophobicContact CG2-CD2 4.24Å; F418-L422 HydrophobicContact CB-CD1 3.8Å; F418-L422 WeakPolarHBondContact O-CD1 3.29Å; F418-L422 PolarHBondContact O-N 3.29Å; E419-L422 PolarHBondContact O-N 3.21Å; L422-L425 PolarHBondContact O-N 3.38Å; L422-F426 WeakPolarHBondContact O-CB 3.47Å; L422-F426 PolarHBondContact O-N 3.48Å; L422-W537 HydrophobicContact CB-CH2 3.74Å; L422-W537 HydrophobicContact CB-CZ3 3.62Å
423	A	92.8	Very high	92.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.5	-52.2	177.4	0	0	0	0	0	110.2	E419 T421 L425 F426 V427 W484 A485 P536 W537	E419-A423 WeakPolarHBondContact O-CB 3.4Å; E419-A423 PolarHBondContact O-N 3.41Å; T421-A423 PolarHBondContact O-N 3.16Å; A423-L425 VanDerWaalsContact C-N 3.34Å; A423-L425 PolarHBondContact O-N 3.41Å; A423-F426 PolarHBondContact O-N 2.94Å; A423-V427 WeakPolarHBondContact O-CB 3.44Å; A423-V427 WeakPolarHBondContact O-CG2 3.21Å; A423-V427 PolarHBondContact O-N 3.01Å; A423-W484 HydrophobicContact CB-CH2 3.94Å; A423-W484 HydrophobicContact CB-CZ3 3.94Å; A423-A485 HydrophobicContact CB-CB 4.03Å; A423-P536 HydrophobicContact CB-CG 3.74Å; A423-W537 HydrophobicContact CB-CZ3 4.26Å
424	A	91.8	Very high	92.4	Very high	6 Å²	6	33.4 Å²	33.4	5%	0.05	19%	0.189	C	C	.	.	H	α-helix	trans	-59.8	-43.5	177.2	0	0	0	0	0	112	P420 T421 R428 A485 L490 A491	P420-A424 PolarHBondContact O-N 3.11Å; T421-A424 PolarHBondContact O-N 3.11Å; A424-R428 VanDerWaalsContact O-CB 3.29Å; A424-R428 WeakPolarHBondContact O-CB 3.36Å; A424-R428 PolarHBondContact O-N 3.06Å; A424-R428 VanDerWaalsContact O-N 3.11Å; A424-A485 WeakPolarHBondContact CA-O 3.45Å; A424-L490 HydrophobicContact CB-CB 4.12Å; A424-A491 HydrophobicContact CB-CB 4.13Å
425	L	92.6	Very high	92.3	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-65.2	-45.7	178.4	-67.5	172	0	0	0	112.3	I132 E145 T421 L422 A423 R428 E429 A491	I132-L425 HydrophobicContact CD1-CB 4.32Å; I132-L425 HydrophobicContact CG2-CB 4.04Å; I132-L425 HydrophobicContact CG2-CD1 3.7Å; I132-L425 HydrophobicContact CG2-CG 4.35Å; E145-L425 HydrophobicContact CG-CD1 4.07Å; E145-L425 HydrophobicContact CG-CD2 4.22Å; E145-L425 WeakPolarHBondContact OE1-CD2 2.84Å; T421-L425 HydrophobicContact CG2-CD1 3.86Å; T421-L425 VanDerWaalsContact O-CG 3.3Å; T421-L425 WeakPolarHBondContact O-CG 3.48Å; T421-L425 PolarHBondContact O-N 3.16Å; T421-L425 VanDerWaalsContact O-N 3.08Å; L422-L425 PolarHBondContact O-N 3.38Å; A423-L425 VanDerWaalsContact C-N 3.34Å; A423-L425 PolarHBondContact O-N 3.41Å; L425-R428 VanDerWaalsContact CD2-NH2 3.3Å; L425-E429 PolarHBondContact O-N 2.93Å; L425-A491 HydrophobicContact CD2-CB 3.82Å; L425-A491 HydrophobicContact CG-CB 4.02Å
426	F	94.9	Very high	92.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.2	-48.3	-179.7	-179.4	-93.1	0	0	0	111.6	N125 R128 L129 L422 A423 R428 E429 A430 P536 W537 A554	N125-F426 HydrophobicContact CB-CE2 3.9Å; N125-F426 HydrophobicContact CB-CZ 4.1Å; R128-F426 HydrophobicContact CG-CD2 4.35Å; R128-F426 HydrophobicContact CG-CE2 4.42Å; L129-F426 HydrophobicContact CD2-CB 3.96Å; L129-F426 HydrophobicContact CD2-CD2 3.92Å; L129-F426 HydrophobicContact CD2-CG 4.36Å; L129-F426 HydrophobicContact CG-CD2 4.18Å; L422-F426 WeakPolarHBondContact O-CB 3.47Å; L422-F426 PolarHBondContact O-N 3.48Å; A423-F426 PolarHBondContact O-N 2.94Å; F426-R428 VanDerWaalsContact C-N 3.31Å; F426-R428 PolarHBondContact O-N 2.88Å; F426-E429 PolarHBondContact O-N 2.82Å; F426-E429 VanDerWaalsContact O-N 3.15Å; F426-A430 HydrophobicContact CD1-CB 3.95Å; F426-A430 HydrophobicContact CE1-CB 3.55Å; F426-A430 HydrophobicContact CE2-CB 4.18Å; F426-A430 HydrophobicContact CG-CB 4.42Å; F426-A430 HydrophobicContact CZ-CB 3.68Å; F426-A430 WeakPolarHBondContact O-CB 3.02Å; F426-A430 PolarHBondContact O-N 2.84Å; F426-P536 HydrophobicContact CD1-CB 4.46Å; F426-P536 WeakPolarHBondContact CE1-O 3.49Å; F426-W537 HydrophobicContact CB-CE3 4.14Å; F426-W537 HydrophobicContact CD1-CB 3.83Å; F426-W537 HydrophobicContact CD2-CB 3.69Å; F426-W537 VanDerWaalsContact CE1-CA 3.47Å; F426-W537 HydrophobicContact CE1-CB 3.73Å; F426-W537 HydrophobicContact CE2-CB 3.56Å; F426-W537 HydrophobicContact CG-CB 3.81Å; F426-W537 HydrophobicContact CG-CE3 4.37Å; F426-W537 HydrophobicContact CZ-CB 3.59Å; F426-A554 HydrophobicContact CE1-CB 4.11Å
427	V	92.8	Very high	92.2	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.055	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-43.5	-179.9	168.8	0	0	0	0	110.7	A423 E429 A430 F431 A481 L486 P536	A423-V427 WeakPolarHBondContact O-CB 3.44Å; A423-V427 WeakPolarHBondContact O-CG2 3.21Å; A423-V427 PolarHBondContact O-N 3.01Å; V427-E429 PolarHBondContact O-N 2.03Å; V427-A430 PolarHBondContact O-N 2.74Å; V427-F431 HydrophobicContact CG1-CB 4.36Å; V427-F431 CarbonylContact O-C 3.57Å; V427-F431 WeakPolarHBondContact O-CA 3.49Å; V427-F431 PolarHBondContact O-N 3.23Å; V427-A481 HydrophobicContact CG2-CB 3.48Å; V427-A481 VanDerWaalsContact CG2-CB 3.48Å; V427-L486 HydrophobicContact CG1-CD2 3.71Å; V427-P536 HydrophobicContact CG2-CB 3.88Å
428	R	90.1	Very high	92.3	Very high	159 Å²	159	38.1 Å²	38.1	60%	0.6	21%	0.212	S	C	*	.	H	α-helix	trans	-55.8	-38.5	177.1	-175.2	178	71	-168.3	0.7	112.3	A424 L425 F426	A424-R428 VanDerWaalsContact O-CB 3.29Å; A424-R428 WeakPolarHBondContact O-CB 3.36Å; A424-R428 PolarHBondContact O-N 3.06Å; A424-R428 VanDerWaalsContact O-N 3.11Å; L425-R428 VanDerWaalsContact CD2-NH2 3.3Å; F426-R428 VanDerWaalsContact C-N 3.31Å; F426-R428 PolarHBondContact O-N 2.88Å
429	E	89.9	Confident	92.4	Very high	81 Å²	81	38.1 Å²	38.1	38%	0.379	21%	0.212	S	C	.	.	H	α-helix	trans	-86.2	-36.7	179.8	-168.2	-174	145.6	0	0	113.2	R128 R131 I132 L425 F426 V427	R128-E429 VanDerWaalsContact CD-CD 3.43Å; R128-E429 WeakPolarHBondContact CD-OE1 3.49Å; R128-E429 HydrophobicContact CG-CG 4.49Å; R128-E429 VanDerWaalsContact CG-OE1 3.31Å; R128-E429 WeakPolarHBondContact CG-OE1 3.01Å; R128-E429 WeakPolarHBondContact CG-OE2 3.39Å; R128-E429 IonicContact CZ-OE1 3.97Å; R128-E429 IonicContact NE-OE1 3.54Å; R128-E429 PolarHBondContact NE-OE1 3.46Å; R131-E429 IonicContact CZ-OE1 3.95Å; R131-E429 IonicContact NH2-OE1 2.85Å; R131-E429 PolarHBondContact NH2-OE1 3.15Å; I132-E429 WeakPolarHBondContact CD1-OE2 3.07Å; I132-E429 WeakPolarHBondContact CG1-OE2 3.28Å; L425-E429 PolarHBondContact O-N 2.93Å; F426-E429 PolarHBondContact O-N 2.82Å; F426-E429 VanDerWaalsContact O-N 3.15Å; V427-E429 PolarHBondContact O-N 2.03Å
430	A	90.8	Very high	92.7	Very high	14 Å²	14	38.2 Å²	38.2	12%	0.116	21%	0.213	C	C	.	.	H	α-helix	trans	-97.7	-27	-167.1	0	0	0	0	0	114.4	F426 V427	F426-A430 HydrophobicContact CD1-CB 3.95Å; F426-A430 HydrophobicContact CE1-CB 3.55Å; F426-A430 HydrophobicContact CE2-CB 4.18Å; F426-A430 HydrophobicContact CG-CB 4.42Å; F426-A430 HydrophobicContact CZ-CB 3.68Å; F426-A430 WeakPolarHBondContact O-CB 3.02Å; F426-A430 PolarHBondContact O-N 2.84Å; V427-A430 PolarHBondContact O-N 2.74Å
431	F	91.5	Very high	93	Very high	10 Å²	10	43.1 Å²	43.1	4%	0.044	23%	0.232	C	C	.	.			trans	-139.5	74.5	-162.4	-164.5	-107.5	0	0	0	112.9	V427 T435 R436 M479 G480 A554 L557	V427-F431 HydrophobicContact CG1-CB 4.36Å; V427-F431 CarbonylContact O-C 3.57Å; V427-F431 WeakPolarHBondContact O-CA 3.49Å; V427-F431 PolarHBondContact O-N 3.23Å; F431-T435 HydrophobicContact CD2-CG2 3.73Å; F431-T435 HydrophobicContact CE2-CG2 3.67Å; F431-R436 HydrophobicContact CD1-CB 4.44Å; F431-R436 HydrophobicContact CE1-CB 3.57Å; F431-R436 HydrophobicContact CE1-CG 3.78Å; F431-R436 HydrophobicContact CZ-CB 3.7Å; F431-R436 HydrophobicContact CZ-CG 4.01Å; F431-M479 WeakPolarHBondContact CE1-O 3.43Å; F431-M479 HydrophobicContact CZ-CG 4.16Å; F431-G480 VanDerWaalsContact CE1-CA 3.45Å; F431-A554 HydrophobicContact CB-CB 3.6Å; F431-A554 HydrophobicContact CD1-CB 4.3Å; F431-A554 HydrophobicContact CD2-CB 4.02Å; F431-A554 HydrophobicContact CG-CB 3.72Å; F431-L557 HydrophobicContact CD2-CB 4.2Å; F431-L557 HydrophobicContact CD2-CD1 4.39Å; F431-L557 HydrophobicContact CE2-CB 3.79Å; F431-L557 HydrophobicContact CE2-CD1 3.39Å; F431-L557 HydrophobicContact CE2-CG 4.24Å; F431-L557 HydrophobicContact CZ-CD1 3.72Å
432	G	88.9	Confident	93.2	Very high	27 Å²	27	43.6 Å²	43.6	28%	0.278	23%	0.234	S	C	.	.			trans	-73.8	168.8	178.1	0	0	0	0	0	114.6	S434 T435 R436	G432-S434 VanDerWaalsContact C-N 3.27Å; G432-S434 PolarHBondContact O-N 3.39Å; G432-T435 PolarHBondContact O-N 3.21Å; G432-T435 VanDerWaalsContact O-N 3.14Å; G432-R436 PolarHBondContact O-N 3.11Å; G432-R436 VanDerWaalsContact O-N 3.1Å
433	P	89.3	Confident	93.4	Very high	118 Å²	118	43.7 Å²	43.7	77%	0.766	24%	0.235	S	C	*	.	H	α-helix	trans	-57.4	-34.2	-178.2	-26.2	34.5	0	0	0	114.6	R436 S437	P433-R436 PolarHBondContact O-N 3.34Å; P433-S437 WeakPolarHBondContact O-CB 3.42Å; P433-S437 PolarHBondContact O-N 3.32Å
434	S	91.3	Very high	93.6	Very high	84 Å²	84	45.9 Å²	45.9	59%	0.587	25%	0.248	S	C	*	.	H	α-helix	trans	-66.5	-43.6	177.8	56.9	0	0	0	0	112.1	G432 S437 A438	G432-S434 VanDerWaalsContact C-N 3.27Å; G432-S434 PolarHBondContact O-N 3.39Å; S434-S437 PolarHBondContact O-N 3.31Å; S434-A438 WeakPolarHBondContact O-CB 3.29Å; S434-A438 PolarHBondContact O-N 3.25Å
435	T	93.7	Very high	93.9	Very high	21 Å²	21	46.6 Å²	46.6	13%	0.129	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-46.7	174.9	-53.4	0	0	0	0	110.7	F431 G432 S437 A438 A439 F562	F431-T435 HydrophobicContact CD2-CG2 3.73Å; F431-T435 HydrophobicContact CE2-CG2 3.67Å; G432-T435 PolarHBondContact O-N 3.21Å; G432-T435 VanDerWaalsContact O-N 3.14Å; T435-S437 PolarHBondContact O-N 3.04Å; T435-A438 PolarHBondContact O-N 2.72Å; T435-A439 WeakPolarHBondContact O-CB 3.39Å; T435-A439 PolarHBondContact O-N 2.88Å; T435-F562 HydrophobicContact CG2-CD1 3.99Å; T435-F562 HydrophobicContact CG2-CE1 3.75Å
436	R	92.9	Very high	94.2	Very high	98 Å²	98	46.3 Å²	46.3	37%	0.37	25%	0.252	S	S	.	.	H	α-helix	trans	-57.9	-49.2	175.9	-171.6	178.9	-178.6	-171.3	1.3	112.2	F431 G432 P433 A438 A439 M440	F431-R436 HydrophobicContact CD1-CB 4.44Å; F431-R436 HydrophobicContact CE1-CB 3.57Å; F431-R436 HydrophobicContact CE1-CG 3.78Å; F431-R436 HydrophobicContact CZ-CB 3.7Å; F431-R436 HydrophobicContact CZ-CG 4.01Å; G432-R436 PolarHBondContact O-N 3.11Å; G432-R436 VanDerWaalsContact O-N 3.1Å; P433-R436 PolarHBondContact O-N 3.34Å; R436-A438 PolarHBondContact O-N 3.21Å; R436-A439 PolarHBondContact O-N 3.06Å; R436-M440 WeakPolarHBondContact O-CB 3.41Å; R436-M440 PolarHBondContact O-N 2.84Å
437	S	95.1	Very high	94.3	Very high	54 Å²	54	50 Å²	50	38%	0.378	27%	0.266	S	S	.	.	H	α-helix	trans	-61.9	-43.3	179.4	-174.6	0	0	0	0	112.1	P433 S434 T435 K441	P433-S437 WeakPolarHBondContact O-CB 3.42Å; P433-S437 PolarHBondContact O-N 3.32Å; S434-S437 PolarHBondContact O-N 3.31Å; T435-S437 PolarHBondContact O-N 3.04Å; S437-K441 VanDerWaalsContact O-CG 3.29Å; S437-K441 WeakPolarHBondContact O-CG 3.41Å; S437-K441 PolarHBondContact O-N 3.43Å
438	A	96.3	Very high	94.5	Very high	25 Å²	25	52.2 Å²	52.2	21%	0.207	28%	0.278	C	S	.	.	H	α-helix	trans	-67	-42.4	178.8	0	0	0	0	0	112.1	S434 T435 R436 K441 L442 F562 P564	S434-A438 WeakPolarHBondContact O-CB 3.29Å; S434-A438 PolarHBondContact O-N 3.25Å; T435-A438 PolarHBondContact O-N 2.72Å; R436-A438 PolarHBondContact O-N 3.21Å; A438-K441 PolarHBondContact O-N 3.36Å; A438-L442 PolarHBondContact O-N 3.22Å; A438-F562 HydrophobicContact CB-CE1 4.34Å; A438-F562 HydrophobicContact CB-CZ 3.72Å; A438-P564 HydrophobicContact CB-CB 3.93Å; A438-P564 HydrophobicContact CB-CG 3.91Å
439	A	97.1	Very high	94.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-64.3	-42.9	177.3	0	0	0	0	0	111.3	T435 R436 K441 L442 F443 M479 L557 F562 M579	T435-A439 WeakPolarHBondContact O-CB 3.39Å; T435-A439 PolarHBondContact O-N 2.88Å; R436-A439 PolarHBondContact O-N 3.06Å; A439-K441 VanDerWaalsContact C-N 3.34Å; A439-K441 PolarHBondContact O-N 2.96Å; A439-L442 WeakPolarHBondContact O-CB 3.48Å; A439-L442 PolarHBondContact O-N 3.24Å; A439-F443 WeakPolarHBondContact O-CB 3.32Å; A439-F443 PolarHBondContact O-N 2.61Å; A439-M479 HydrophobicContact CB-CG 4.16Å; A439-M479 HydrophobicContact CB-SD 3.74Å; A439-L557 HydrophobicContact CB-CD1 4.06Å; A439-L557 HydrophobicContact CB-CD2 4.21Å; A439-F562 HydrophobicContact CB-CE1 3.96Å; A439-F562 HydrophobicContact CB-CZ 3.96Å; A439-M579 HydrophobicContact CB-CE 4.37Å
440	M	96.8	Very high	95.1	Very high	63 Å²	63	40.9 Å²	40.9	31%	0.31	23%	0.232	S	C	.	.	H	α-helix	trans	-64.3	-37.1	175.8	-173.4	56.3	71.3	0	0	112.4	R436 F443 T444 V477 M479	R436-M440 WeakPolarHBondContact O-CB 3.41Å; R436-M440 PolarHBondContact O-N 2.84Å; M440-F443 PolarHBondContact O-N 3.31Å; M440-F443 HydrophobicContact SD-CD1 4.12Å; M440-T444 WeakPolarHBondContact O-CB 3.48Å; M440-T444 PolarHBondContact O-N 2.89Å; M440-T444 PolarHBondContact O-OG1 2.61Å; M440-V477 HydrophobicContact CE-CG1 4.13Å; M440-M479 HydrophobicContact CE-CB 3.94Å; M440-M479 HydrophobicContact CE-CE 4.08Å; M440-M479 HydrophobicContact CE-CG 4.43Å; M440-M479 HydrophobicContact SD-CE 4.44Å
441	K	96.9	Very high	95.3	Very high	130 Å²	130	41.8 Å²	41.8	57%	0.565	23%	0.234	S	C	*	.	H	α-helix	trans	-65.1	-40.6	174.1	-76.3	170.3	-177	170.7	0	112.1	S437 A438 A439 A445	S437-K441 VanDerWaalsContact O-CG 3.29Å; S437-K441 WeakPolarHBondContact O-CG 3.41Å; S437-K441 PolarHBondContact O-N 3.43Å; A438-K441 PolarHBondContact O-N 3.36Å; A439-K441 VanDerWaalsContact C-N 3.34Å; A439-K441 PolarHBondContact O-N 2.96Å; K441-A445 PolarHBondContact O-N 3.36Å
442	L	98.1	Very high	95.4	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.052	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-53.1	173.6	175.6	62.2	0	0	0	110.2	A438 A439 T444 A445 I446 F562 N571 F572 A575 M579	A438-L442 PolarHBondContact O-N 3.22Å; A439-L442 WeakPolarHBondContact O-CB 3.48Å; A439-L442 PolarHBondContact O-N 3.24Å; L442-T444 VanDerWaalsContact C-N 3.31Å; L442-T444 PolarHBondContact O-N 2.88Å; L442-A445 WeakPolarHBondContact O-CB 3.42Å; L442-A445 PolarHBondContact O-N 3.38Å; L442-I446 HydrophobicContact CD1-CG1 4.32Å; L442-I446 WeakPolarHBondContact O-CG1 3.41Å; L442-I446 PolarHBondContact O-N 3.09Å; L442-F562 HydrophobicContact CD2-CD2 4.08Å; L442-F562 HydrophobicContact CD2-CE2 3.95Å; L442-N571 HydrophobicContact CD2-CB 4.35Å; L442-N571 WeakPolarHBondContact CD2-O 3.48Å; L442-F572 HydrophobicContact CD1-CD1 3.68Å; L442-F572 HydrophobicContact CD1-CD2 3.82Å; L442-F572 HydrophobicContact CD1-CE1 3.69Å; L442-F572 HydrophobicContact CD1-CE2 3.85Å; L442-F572 HydrophobicContact CD1-CG 3.75Å; L442-F572 HydrophobicContact CD1-CZ 3.78Å; L442-A575 HydrophobicContact CD2-CB 3.98Å; L442-M579 HydrophobicContact CB-SD 4.36Å; L442-M579 HydrophobicContact CD2-CE 4.26Å; L442-M579 HydrophobicContact CD2-SD 3.92Å; L442-M579 HydrophobicContact CG-SD 3.84Å
443	F	98.1	Very high	95.6	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	25%	0.245	C	C	.	.	H	α-helix	trans	-53.4	-47.1	177.5	175.9	-91.1	0	0	0	112.1	A439 M440 A445 I446 R447 L475 V477 M479 V550 F552 M579 L583	A439-F443 WeakPolarHBondContact O-CB 3.32Å; A439-F443 PolarHBondContact O-N 2.61Å; M440-F443 PolarHBondContact O-N 3.31Å; M440-F443 HydrophobicContact SD-CD1 4.12Å; F443-A445 VanDerWaalsContact C-N 3.29Å; F443-A445 PolarHBondContact O-N 3.48Å; F443-I446 WeakPolarHBondContact O-CB 3.39Å; F443-I446 PolarHBondContact O-N 3.27Å; F443-I446 VanDerWaalsContact O-N 3.08Å; F443-R447 HydrophobicContact CE1-CB 4.18Å; F443-R447 HydrophobicContact CZ-CB 4.42Å; F443-R447 WeakPolarHBondContact O-CB 3.18Å; F443-R447 PolarHBondContact O-N 3.44Å; F443-L475 HydrophobicContact CZ-CD2 4.33Å; F443-V477 HydrophobicContact CD1-CG1 4.05Å; F443-V477 HydrophobicContact CD1-CG2 4.31Å; F443-V477 HydrophobicContact CD2-CG1 4.34Å; F443-V477 HydrophobicContact CE1-CB 4.2Å; F443-V477 HydrophobicContact CE1-CG1 3.87Å; F443-V477 HydrophobicContact CE1-CG2 3.38Å; F443-V477 HydrophobicContact CE2-CG1 4.13Å; F443-V477 HydrophobicContact CE2-CG2 4.29Å; F443-V477 HydrophobicContact CG-CG1 4.3Å; F443-V477 HydrophobicContact CZ-CB 4.28Å; F443-V477 HydrophobicContact CZ-CG1 3.89Å; F443-V477 HydrophobicContact CZ-CG2 3.34Å; F443-M479 HydrophobicContact CB-CE 3.75Å; F443-M479 HydrophobicContact CD2-CE 4.4Å; F443-M479 HydrophobicContact CG-CE 4.05Å; F443-V550 HydrophobicContact CE2-CG1 4.07Å; F443-V550 HydrophobicContact CZ-CG1 4.21Å; F443-F552 AromaticContact CD2-CE2 3.77Å; F443-F552 HydrophobicContact CD2-CE2 3.77Å; F443-F552 HydrophobicContact CD2-CZ 4.37Å; F443-F552 AromaticContact CE2-CE2 3.83Å; F443-F552 HydrophobicContact CE2-CE2 3.83Å; F443-F552 HydrophobicContact CE2-CZ 4.42Å; F443-M579 HydrophobicContact CB-CE 4.37Å; F443-M579 HydrophobicContact CB-SD 3.81Å; F443-M579 HydrophobicContact CD2-CB 4.45Å; F443-M579 HydrophobicContact CD2-CG 4.42Å; F443-M579 HydrophobicContact CD2-SD 4.4Å; F443-L583 HydrophobicContact CE2-CD1 4.17Å; F443-L583 HydrophobicContact CE2-CD2 3.92Å; F443-L583 HydrophobicContact CE2-CG 4.22Å; F443-L583 HydrophobicContact CZ-CD1 4.48Å; F443-L583 HydrophobicContact CZ-CD2 3.96Å
444	T	97.5	Very high	95.7	Very high	46 Å²	46	39.8 Å²	39.8	28%	0.282	21%	0.208	S	C	.	.	H	α-helix	trans	-56.3	-44.8	177.3	-56.5	0	0	0	0	111.3	M440 L442 I446 R447 D448	M440-T444 WeakPolarHBondContact O-CB 3.48Å; M440-T444 PolarHBondContact O-N 2.89Å; M440-T444 PolarHBondContact O-OG1 2.61Å; L442-T444 VanDerWaalsContact C-N 3.31Å; L442-T444 PolarHBondContact O-N 2.88Å; T444-I446 VanDerWaalsContact C-N 3.33Å; T444-I446 PolarHBondContact O-N 3.09Å; T444-R447 PolarHBondContact O-N 3.47Å; T444-D448 WeakPolarHBondContact O-CB 3.49Å; T444-D448 PolarHBondContact O-N 3.27Å
445	A	97.9	Very high	95.6	Very high	21 Å²	21	42.7 Å²	42.7	17%	0.174	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-36.7	178.1	0	0	0	0	0	112.8	K441 L442 F443 A449 F572 A648	K441-A445 PolarHBondContact O-N 3.36Å; L442-A445 WeakPolarHBondContact O-CB 3.42Å; L442-A445 PolarHBondContact O-N 3.38Å; F443-A445 VanDerWaalsContact C-N 3.29Å; F443-A445 PolarHBondContact O-N 3.48Å; A445-A449 WeakPolarHBondContact O-CB 3.49Å; A445-A449 PolarHBondContact O-N 2.98Å; A445-A449 VanDerWaalsContact O-N 3.14Å; A445-F572 HydrophobicContact CB-CE1 4.02Å; A445-F572 HydrophobicContact CB-CZ 4.02Å; A445-A648 WeakPolarHBondContact O-CB 3.45Å
446	I	98.4	Very high	95.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.1	-50	175.9	-63.8	-63.7	0	0	0	110.8	L442 F443 T444 D448 A449 L450 F572 G576 M579 A580 L583 I644 A645 A648	L442-I446 HydrophobicContact CD1-CG1 4.32Å; L442-I446 WeakPolarHBondContact O-CG1 3.41Å; L442-I446 PolarHBondContact O-N 3.09Å; F443-I446 WeakPolarHBondContact O-CB 3.39Å; F443-I446 PolarHBondContact O-N 3.27Å; F443-I446 VanDerWaalsContact O-N 3.08Å; T444-I446 VanDerWaalsContact C-N 3.33Å; T444-I446 PolarHBondContact O-N 3.09Å; I446-D448 VanDerWaalsContact C-N 3.33Å; I446-D448 PolarHBondContact O-N 2.97Å; I446-A449 WeakPolarHBondContact O-CB 3.32Å; I446-A449 PolarHBondContact O-N 2.94Å; I446-A449 VanDerWaalsContact O-N 3.1Å; I446-L450 PolarHBondContact O-N 2.79Å; I446-F572 HydrophobicContact CD1-CD1 4.11Å; I446-F572 HydrophobicContact CD1-CE1 4.38Å; I446-G576 WeakPolarHBondContact CD1-O 3.36Å; I446-M579 HydrophobicContact CG1-CB 4.41Å; I446-M579 HydrophobicContact CG2-CB 4.3Å; I446-A580 HydrophobicContact CG2-CB 3.59Å; I446-L583 HydrophobicContact CG2-CD1 4Å; I446-I644 HydrophobicContact CG2-CG2 4.1Å; I446-A645 HydrophobicContact CD1-CB 3.93Å; I446-A648 HydrophobicContact CD1-CB 3.82Å
447	R	97.5	Very high	95.1	Very high	78 Å²	78	43.3 Å²	43.3	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-56.3	-46.6	176.8	-175.3	-163.6	64.8	-176.4	-1.3	111.6	F443 T444 A449 L450 I451 V472 L583	F443-R447 HydrophobicContact CE1-CB 4.18Å; F443-R447 HydrophobicContact CZ-CB 4.42Å; F443-R447 WeakPolarHBondContact O-CB 3.18Å; F443-R447 PolarHBondContact O-N 3.44Å; T444-R447 PolarHBondContact O-N 3.47Å; R447-A449 VanDerWaalsContact C-N 3.28Å; R447-A449 PolarHBondContact O-N 3.45Å; R447-L450 WeakPolarHBondContact O-CB 3.42Å; R447-L450 PolarHBondContact O-N 2.7Å; R447-I451 HydrophobicContact CG-CD1 4.27Å; R447-I451 WeakPolarHBondContact O-CG1 3.45Å; R447-I451 PolarHBondContact O-N 3.36Å; R447-V472 HydrophobicContact CG-CG1 3.66Å; R447-L583 HydrophobicContact CB-CD1 4.33Å
448	D	96.2	Very high	94.6	Very high	55 Å²	55	44.6 Å²	44.6	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-33.4	179.2	-67.1	-3.1	0	0	0	112.1	T444 I446 T452	T444-D448 WeakPolarHBondContact O-CB 3.49Å; T444-D448 PolarHBondContact O-N 3.27Å; I446-D448 VanDerWaalsContact C-N 3.33Å; I446-D448 PolarHBondContact O-N 2.97Å; D448-T452 WeakPolarHBondContact O-CB 3.35Å; D448-T452 PolarHBondContact O-N 3.18Å; D448-T452 VanDerWaalsContact O-N 3.08Å; D448-T452 PolarHBondContact O-OG1 2.76Å
449	A	96.9	Very high	94.2	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-69.1	-41.1	174.3	0	0	0	0	0	111.6	A445 I446 R447 T452 R453 I644 Q647 A648	A445-A449 WeakPolarHBondContact O-CB 3.49Å; A445-A449 PolarHBondContact O-N 2.98Å; A445-A449 VanDerWaalsContact O-N 3.14Å; I446-A449 WeakPolarHBondContact O-CB 3.32Å; I446-A449 PolarHBondContact O-N 2.94Å; I446-A449 VanDerWaalsContact O-N 3.1Å; R447-A449 VanDerWaalsContact C-N 3.28Å; R447-A449 PolarHBondContact O-N 3.45Å; A449-T452 PolarHBondContact O-N 3.34Å; A449-R453 WeakPolarHBondContact O-CB 3.4Å; A449-R453 PolarHBondContact O-N 3.25Å; A449-I644 HydrophobicContact CB-CG2 4.04Å; A449-Q647 HydrophobicContact CB-CB 4.48Å; A449-Q647 HydrophobicContact CB-CG 4.28Å; A449-Q647 PolarHBondContact O-NE2 3.32Å; A449-A648 HydrophobicContact CB-CB 3.62Å
450	L	96.7	Very high	93.9	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-58.9	-50.9	172.8	170.5	61.6	0	0	0	111.2	I446 R447 T452 R453 L454 V472 L583 L584 F587 I644	I446-L450 PolarHBondContact O-N 2.79Å; R447-L450 WeakPolarHBondContact O-CB 3.42Å; R447-L450 PolarHBondContact O-N 2.7Å; L450-T452 VanDerWaalsContact C-N 3.26Å; L450-T452 PolarHBondContact O-N 3.06Å; L450-R453 WeakPolarHBondContact O-CA 3.24Å; L450-R453 WeakPolarHBondContact O-CB 3.35Å; L450-R453 PolarHBondContact O-N 3.04Å; L450-L454 HydrophobicContact CD1-CD1 4.15Å; L450-L454 HydrophobicContact CD1-CD2 4.17Å; L450-L454 HydrophobicContact CD1-CG 3.91Å; L450-L454 HydrophobicContact CG-CD1 4.13Å; L450-L454 HydrophobicContact CG-CG 4.35Å; L450-L454 WeakPolarHBondContact O-CG 3.09Å; L450-L454 PolarHBondContact O-N 3.44Å; L450-V472 HydrophobicContact CD2-CG1 4.25Å; L450-V472 HydrophobicContact CD2-CG2 3.94Å; L450-L583 HydrophobicContact CD2-CB 3.66Å; L450-L583 HydrophobicContact CD2-CD1 3.98Å; L450-L583 HydrophobicContact CD2-CG 4.36Å; L450-L584 HydrophobicContact CD1-CD2 4.01Å; L450-F587 HydrophobicContact CD1-CE2 4.22Å; L450-F587 HydrophobicContact CD2-CE2 4.23Å; L450-I644 HydrophobicContact CB-CD1 4.29Å; L450-I644 HydrophobicContact CB-CG2 4.15Å; L450-I644 HydrophobicContact CD1-CD1 3.67Å
451	I	94.6	Very high	93.5	Very high	32 Å²	32	43.6 Å²	43.6	16%	0.164	22%	0.216	C	C	.	.	H	α-helix	trans	-55.4	-43.9	177.2	-69.2	169.7	0	0	0	111	R447 R453 Q469 V472	R447-I451 HydrophobicContact CG-CD1 4.27Å; R447-I451 WeakPolarHBondContact O-CG1 3.45Å; R447-I451 PolarHBondContact O-N 3.36Å; I451-R453 VanDerWaalsContact C-N 3.27Å; I451-R453 PolarHBondContact O-N 3.35Å; I451-Q469 HydrophobicContact CG2-CG 4.29Å; I451-V472 HydrophobicContact CD1-CG1 4.11Å; I451-V472 HydrophobicContact CG1-CB 4.36Å; I451-V472 HydrophobicContact CG1-CG1 3.84Å
452	T	93.4	Very high	93.1	Very high	49 Å²	49	44.4 Å²	44.4	30%	0.301	22%	0.221	S	C	.	.	H	α-helix	trans	-63.4	-36.1	177.4	-54.8	0	0	0	0	111.7	D448 A449 L450 N456	D448-T452 WeakPolarHBondContact O-CB 3.35Å; D448-T452 PolarHBondContact O-N 3.18Å; D448-T452 VanDerWaalsContact O-N 3.08Å; D448-T452 PolarHBondContact O-OG1 2.76Å; A449-T452 PolarHBondContact O-N 3.34Å; L450-T452 VanDerWaalsContact C-N 3.26Å; L450-T452 PolarHBondContact O-N 3.06Å; T452-N456 PolarHBondContact O-ND2 3.31Å; T452-N456 VanDerWaalsContact O-ND2 3.07Å
453	R	92.4	Very high	92.7	Very high	63 Å²	63	49.9 Å²	49.9	24%	0.238	25%	0.247	C	C	.	.	H	α-helix	trans	-73.8	-42.3	-177.8	-164.7	170.6	-172.9	80.9	12.4	112	A449 L450 I451 R455 N456 Q647 W732	A449-R453 WeakPolarHBondContact O-CB 3.4Å; A449-R453 PolarHBondContact O-N 3.25Å; L450-R453 WeakPolarHBondContact O-CA 3.24Å; L450-R453 WeakPolarHBondContact O-CB 3.35Å; L450-R453 PolarHBondContact O-N 3.04Å; I451-R453 VanDerWaalsContact C-N 3.27Å; I451-R453 PolarHBondContact O-N 3.35Å; R453-R455 PolarHBondContact O-N 3.34Å; R453-R455 VanDerWaalsContact O-N 3.14Å; R453-N456 PolarHBondContact O-N 2.96Å; R453-Q647 VanDerWaalsContact NH1-OE1 3.07Å; R453-W732 VanDerWaalsContact CD-OXT 3.27Å; R453-W732 WeakPolarHBondContact CD-OXT 3.25Å; R453-W732 VanDerWaalsContact CG-OXT 3.23Å; R453-W732 WeakPolarHBondContact CG-OXT 3.32Å; R453-W732 VanDerWaalsContact CZ-OXT 3.32Å; R453-W732 PolarHBondContact NE-O 2.88Å; R453-W732 PolarHBondContact NE-OXT 3.48Å; R453-W732 VanDerWaalsContact NH2-C 3.33Å; R453-W732 PolarHBondContact NH2-O 2.8Å; R453-W732 PolarHBondContact NH2-OXT 2.91Å
454	L	92	Very high	92.3	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-53.9	-33.9	178.2	-71.4	171.7	0	0	0	113.2	L450 N456 L457 M460 A468 Q469 V472 F587	L450-L454 HydrophobicContact CD1-CD1 4.15Å; L450-L454 HydrophobicContact CD1-CD2 4.17Å; L450-L454 HydrophobicContact CD1-CG 3.91Å; L450-L454 HydrophobicContact CG-CD1 4.13Å; L450-L454 HydrophobicContact CG-CG 4.35Å; L450-L454 WeakPolarHBondContact O-CG 3.09Å; L450-L454 PolarHBondContact O-N 3.44Å; L454-N456 PolarHBondContact O-N 3.5Å; L454-L457 HydrophobicContact CD2-CD1 3.76Å; L454-L457 PolarHBondContact O-N 3.04Å; L454-M460 HydrophobicContact CD2-CE 4.15Å; L454-M460 HydrophobicContact CD2-SD 4.38Å; L454-A468 HydrophobicContact CD1-CB 4.17Å; L454-A468 HydrophobicContact CD2-CB 4.37Å; L454-Q469 HydrophobicContact CB-CG 4.43Å; L454-Q469 HydrophobicContact CD1-CG 4.46Å; L454-V472 HydrophobicContact CD1-CG2 4.18Å; L454-F587 HydrophobicContact CD1-CE2 4.23Å; L454-F587 HydrophobicContact CD1-CZ 3.73Å; L454-F587 HydrophobicContact CD2-CE2 4.07Å; L454-F587 HydrophobicContact CD2-CZ 4.01Å
455	R	89	Confident	92	Very high	146 Å²	146	49.3 Å²	49.3	55%	0.551	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.7	178	-67	177.1	-177.2	-178.6	-1.8	114.9	R453	R453-R455 PolarHBondContact O-N 3.34Å; R453-R455 VanDerWaalsContact O-N 3.14Å
456	N	86.3	Confident	91.6	Very high	126 Å²	126	52.1 Å²	52.1	67%	0.674	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	12.8	-172.6	-59.3	-64	0	0	0	112.3	T452 R453 L454	T452-N456 PolarHBondContact O-ND2 3.31Å; T452-N456 VanDerWaalsContact O-ND2 3.07Å; R453-N456 PolarHBondContact O-N 2.96Å; L454-N456 PolarHBondContact O-N 3.5Å
457	L	89.3	Confident	91.3	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.026	28%	0.278	C	S	.	.			trans	-76.8	122.3	-179.8	-70.9	-177.8	0	0	0	110.8	L454 W459 M460 Q465 W732	L454-L457 HydrophobicContact CD2-CD1 3.76Å; L454-L457 PolarHBondContact O-N 3.04Å; L457-W459 VanDerWaalsContact C-N 3.29Å; L457-W459 HydrophobicContact CD1-CZ2 4.11Å; L457-W459 PolarHBondContact O-N 3.38Å; L457-M460 HydrophobicContact CB-CB 4.38Å; L457-M460 HydrophobicContact CB-CG 4.3Å; L457-M460 HydrophobicContact CD1-CE 3.79Å; L457-M460 HydrophobicContact CD1-CG 4.32Å; L457-M460 HydrophobicContact CD1-SD 3.81Å; L457-M460 PolarHBondContact O-N 2.95Å; L457-Q465 PolarHBondContact O-NE2 3.37Å; L457-W732 HydrophobicContact CD1-CE3 4.22Å; L457-W732 HydrophobicContact CD1-CZ3 4.41Å; L457-W732 WeakPolarHBondContact CD2-OXT 3.28Å
458	P	84.3	Confident	91	Very high	81 Å²	81	53.6 Å²	53.6	53%	0.526	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-22.7	-174.2	28.5	-34.9	0	0	0	113.4
459	W	89.6	Confident	90.8	Very high	1 Å²	1	52.2 Å²	52.2	0%	0.004	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-8.7	-176.9	61.9	-94	0	0	0	113.9	L457 L590 L591 C599 D600 A603 L604 L731 W732	L457-W459 VanDerWaalsContact C-N 3.29Å; L457-W459 HydrophobicContact CD1-CZ2 4.11Å; L457-W459 PolarHBondContact O-N 3.38Å; W459-L590 HydrophobicContact CH2-CB 4.25Å; W459-L590 HydrophobicContact CZ3-CB 4.28Å; W459-L591 HydrophobicContact CH2-CD2 3.92Å; W459-L591 HydrophobicContact CZ2-CD2 4.07Å; W459-C599 HydrophobicContact CE3-CB 4.19Å; W459-C599 WeakPolarHBondContact O-CA 3.47Å; W459-C599 VanDerWaalsContact O-CB 3.31Å; W459-C599 WeakPolarHBondContact O-CB 3.36Å; W459-D600 PolarHBondContact O-N 3.34Å; W459-A603 HydrophobicContact CB-CB 3.87Å; W459-L604 HydrophobicContact CD2-CD1 4.06Å; W459-L604 HydrophobicContact CE3-CD1 4.11Å; W459-L604 HydrophobicContact CG-CD1 4.44Å; W459-L604 HydrophobicContact CZ3-CD1 4.39Å; W459-L731 PolarHBondContact NE1-O 3.49Å; W459-W732 HydrophobicContact CZ2-CH2 4.48Å; W459-W732 HydrophobicContact CZ2-CZ3 4.04Å
460	M	89.6	Confident	90.6	Very high	7 Å²	7	56.7 Å²	56.7	3%	0.034	28%	0.281	C	S	.	.	S	Bend	trans	-101.7	127.8	175.1	-66.2	-171.3	178.5	0	0	110	L454 L457 T464 Q465 A468 L590	L454-M460 HydrophobicContact CD2-CE 4.15Å; L454-M460 HydrophobicContact CD2-SD 4.38Å; L457-M460 HydrophobicContact CB-CB 4.38Å; L457-M460 HydrophobicContact CB-CG 4.3Å; L457-M460 HydrophobicContact CD1-CE 3.79Å; L457-M460 HydrophobicContact CD1-CG 4.32Å; L457-M460 HydrophobicContact CD1-SD 3.81Å; L457-M460 PolarHBondContact O-N 2.95Å; M460-T464 HydrophobicContact CB-CG2 4.36Å; M460-T464 HydrophobicContact CG-CG2 4.13Å; M460-T464 HydrophobicContact SD-CG2 4.21Å; M460-Q465 HydrophobicContact CB-CG 3.55Å; M460-Q465 PolarHBondContact O-NE2 3.05Å; M460-Q465 HydrophobicContact SD-CG 4.35Å; M460-A468 HydrophobicContact SD-CB 4.3Å; M460-L590 HydrophobicContact CE-CD1 3.87Å
461	N	88.6	Confident	90.4	Very high	59 Å²	59	60.4 Å²	60.4	32%	0.316	30%	0.297	S	S	.	.			trans	-73.1	168.1	168.3	74.3	-9.3	0	0	0	111.3	E463 T464 Q465 A598	N461-E463 VanDerWaalsContact C-N 3.29Å; N461-E463 PolarHBondContact O-N 3.28Å; N461-T464 PolarHBondContact O-N 3.21Å; N461-T464 VanDerWaalsContact O-N 3.17Å; N461-T464 WeakPolarHBondContact OD1-CB 3.35Å; N461-T464 PolarHBondContact OD1-N 2.85Å; N461-T464 PolarHBondContact OD1-OG1 3.37Å; N461-Q465 VanDerWaalsContact O-CG 3.27Å; N461-Q465 WeakPolarHBondContact O-CG 3.16Å; N461-Q465 PolarHBondContact O-N 2.79Å; N461-A598 VanDerWaalsContact CG-O 3.27Å; N461-A598 PolarHBondContact ND2-O 2.94Å
462	E	89.6	Confident	90.4	Very high	147 Å²	147	58.9 Å²	58.9	69%	0.687	29%	0.29	S	S	*	.	H	α-helix	trans	-56.1	-40.9	-176.3	-173.6	176.7	-174.7	0	0	113.1	Q465 N466	E462-Q465 PolarHBondContact O-N 3.1Å; E462-N466 VanDerWaalsContact O-CG 3.32Å; E462-N466 PolarHBondContact O-N 3.13Å; E462-N466 PolarHBondContact O-ND2 3.1Å
463	E	89.2	Confident	90.3	Very high	126 Å²	126	59.8 Å²	59.8	59%	0.589	30%	0.302	S	S	*	.	H	α-helix	trans	-61	-49.9	177.1	-173.2	-177.2	-177.7	0	0	111.7	N461 Q465 N466 M467	N461-E463 VanDerWaalsContact C-N 3.29Å; N461-E463 PolarHBondContact O-N 3.28Å; E463-Q465 VanDerWaalsContact C-N 3.31Å; E463-Q465 PolarHBondContact O-N 3.42Å; E463-N466 PolarHBondContact O-N 3.14Å; E463-M467 HydrophobicContact CG-CE 4.29Å; E463-M467 WeakPolarHBondContact O-CG 3.41Å; E463-M467 PolarHBondContact O-N 2.79Å
464	T	89.7	Confident	90.3	Very high	4 Å²	4	63.5 Å²	63.5	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-37.9	178.1	-54.9	0	0	0	0	111.5	M460 N461 M467 A468 L590	M460-T464 HydrophobicContact CB-CG2 4.36Å; M460-T464 HydrophobicContact CG-CG2 4.13Å; M460-T464 HydrophobicContact SD-CG2 4.21Å; N461-T464 PolarHBondContact O-N 3.21Å; N461-T464 VanDerWaalsContact O-N 3.17Å; N461-T464 WeakPolarHBondContact OD1-CB 3.35Å; N461-T464 PolarHBondContact OD1-N 2.85Å; N461-T464 PolarHBondContact OD1-OG1 3.37Å; T464-M467 PolarHBondContact O-N 2.9Å; T464-A468 VanDerWaalsContact O-CB 3.25Å; T464-A468 WeakPolarHBondContact O-CB 3.46Å; T464-A468 PolarHBondContact O-N 3.37Å; T464-L590 HydrophobicContact CG2-CD1 4.31Å
465	Q	90.8	Very high	90.4	Very high	32 Å²	32	64.3 Å²	64.3	15%	0.15	33%	0.326	C	S	.	.	H	α-helix	trans	-63.9	-40.5	176.3	-71.1	177.6	1.7	0	0	112.2	L457 M460 N461 E462 E463 A468 Q469	L457-Q465 PolarHBondContact O-NE2 3.37Å; M460-Q465 HydrophobicContact CB-CG 3.55Å; M460-Q465 PolarHBondContact O-NE2 3.05Å; M460-Q465 HydrophobicContact SD-CG 4.35Å; N461-Q465 VanDerWaalsContact O-CG 3.27Å; N461-Q465 WeakPolarHBondContact O-CG 3.16Å; N461-Q465 PolarHBondContact O-N 2.79Å; E462-Q465 PolarHBondContact O-N 3.1Å; E463-Q465 VanDerWaalsContact C-N 3.31Å; E463-Q465 PolarHBondContact O-N 3.42Å; Q465-A468 PolarHBondContact O-N 3.3Å; Q465-Q469 VanDerWaalsContact O-CG 3.31Å; Q465-Q469 WeakPolarHBondContact O-CG 3.37Å; Q465-Q469 PolarHBondContact O-N 2.04Å; Q465-Q469 PolarHBondContact O-NE2 3.41Å; Q465-Q469 VanDerWaalsContact O-NE2 3.15Å
466	N	90.4	Very high	90.5	Very high	79 Å²	79	62.6 Å²	62.6	42%	0.422	32%	0.324	S	S	.	.	H	α-helix	trans	-67.6	-46.4	176.9	-71.9	-26.5	0	0	0	110.8	E462 E463 A468 Q469 D470	E462-N466 VanDerWaalsContact O-CG 3.32Å; E462-N466 PolarHBondContact O-N 3.13Å; E462-N466 PolarHBondContact O-ND2 3.1Å; E463-N466 PolarHBondContact O-N 3.14Å; N466-A468 VanDerWaalsContact C-N 3.3Å; N466-A468 PolarHBondContact O-N 3Å; N466-Q469 PolarHBondContact O-N 3.44Å; N466-Q469 VanDerWaalsContact O-N 3.17Å; N466-D470 PolarHBondContact O-N 3.33Å
467	M	90.5	Very high	90.8	Very high	105 Å²	105	58.4 Å²	58.4	52%	0.517	30%	0.303	S	S	.	.	H	α-helix	trans	-57.7	-42.1	173.9	-70.4	-170.1	-66.7	0	0	112.5	E463 T464 D470 K471	E463-M467 HydrophobicContact CG-CE 4.29Å; E463-M467 WeakPolarHBondContact O-CG 3.41Å; E463-M467 PolarHBondContact O-N 2.79Å; T464-M467 PolarHBondContact O-N 2.9Å; M467-D470 PolarHBondContact O-N 3.43Å; M467-K471 VanDerWaalsContact O-CB 3.29Å; M467-K471 WeakPolarHBondContact O-CB 3.32Å; M467-K471 PolarHBondContact O-N 3.35Å
468	A	92.2	Very high	90.8	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.033	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-40.7	178.3	0	0	0	0	0	112.1	L454 M460 T464 Q465 N466 V472 F587	L454-A468 HydrophobicContact CD1-CB 4.17Å; L454-A468 HydrophobicContact CD2-CB 4.37Å; M460-A468 HydrophobicContact SD-CB 4.3Å; T464-A468 VanDerWaalsContact O-CB 3.25Å; T464-A468 WeakPolarHBondContact O-CB 3.46Å; T464-A468 PolarHBondContact O-N 3.37Å; Q465-A468 PolarHBondContact O-N 3.3Å; N466-A468 VanDerWaalsContact C-N 3.3Å; N466-A468 PolarHBondContact O-N 3Å; A468-V472 WeakPolarHBondContact O-CG2 3.49Å; A468-V472 PolarHBondContact O-N 3.11Å; A468-V472 VanDerWaalsContact O-N 3.11Å; A468-F587 HydrophobicContact CB-CD1 4.38Å; A468-F587 HydrophobicContact CB-CE1 3.54Å; A468-F587 HydrophobicContact CB-CZ 4.09Å
469	Q	92.1	Very high	91.2	Very high	26 Å²	26	56.6 Å²	56.6	12%	0.121	29%	0.288	C	S	.	.	H	α-helix	trans	-66.2	-45.4	175.8	-75.7	173.6	83.3	0	0	111.8	I451 L454 Q465 N466 K471 V472 A473	I451-Q469 HydrophobicContact CG2-CG 4.29Å; L454-Q469 HydrophobicContact CB-CG 4.43Å; L454-Q469 HydrophobicContact CD1-CG 4.46Å; Q465-Q469 VanDerWaalsContact O-CG 3.31Å; Q465-Q469 WeakPolarHBondContact O-CG 3.37Å; Q465-Q469 PolarHBondContact O-N 2.04Å; Q465-Q469 PolarHBondContact O-NE2 3.41Å; Q465-Q469 VanDerWaalsContact O-NE2 3.15Å; N466-Q469 PolarHBondContact O-N 3.44Å; N466-Q469 VanDerWaalsContact O-N 3.17Å; Q469-K471 VanDerWaalsContact C-N 3.3Å; Q469-K471 PolarHBondContact O-N 2.91Å; Q469-V472 PolarHBondContact O-N 2.89Å; Q469-A473 WeakPolarHBondContact O-CB 3.44Å; Q469-A473 PolarHBondContact O-N 3.41Å
470	D	91.7	Very high	91.2	Very high	95 Å²	95	56.6 Å²	56.6	51%	0.508	29%	0.287	S	S	.	.	H	α-helix	trans	-61.1	-41.8	177.7	-72.7	-18.6	0	0	0	111.2	N466 M467 V472 A473 Q474	N466-D470 PolarHBondContact O-N 3.33Å; M467-D470 PolarHBondContact O-N 3.43Å; D470-V472 VanDerWaalsContact C-N 3.35Å; D470-V472 PolarHBondContact O-N 2.55Å; D470-A473 PolarHBondContact O-N 3.43Å; D470-A473 VanDerWaalsContact O-N 3.16Å; D470-Q474 WeakPolarHBondContact O-CB 3.47Å; D470-Q474 VanDerWaalsContact O-CG 3.31Å; D470-Q474 WeakPolarHBondContact O-CG 3.3Å; D470-Q474 PolarHBondContact O-N 3.38Å
471	K	92.9	Very high	91	Very high	80 Å²	80	56.3 Å²	56.3	35%	0.348	29%	0.286	S	S	.	.	H	α-helix	trans	-61.6	-40.7	175.9	-166.3	172.7	-174.3	-165.4	0	111.8	M467 Q469 L475 H548 I586	M467-K471 VanDerWaalsContact O-CB 3.29Å; M467-K471 WeakPolarHBondContact O-CB 3.32Å; M467-K471 PolarHBondContact O-N 3.35Å; Q469-K471 VanDerWaalsContact C-N 3.3Å; Q469-K471 PolarHBondContact O-N 2.91Å; K471-L475 PolarHBondContact O-N 2.91Å; K471-H548 VanDerWaalsContact CG-CE1 3.46Å; K471-H548 WeakPolarHBondContact CG-CE1 3.41Å; K471-H548 PolarHBondContact O-CE1 3.43Å; K471-H548 PolarHBondContact O-NE2 2.89Å; K471-I586 HydrophobicContact CD-CG2 3.55Å; K471-I586 HydrophobicContact CG-CG2 3.71Å; K471-I586 PolarHBondContact NZ-O 2.94Å
472	V	95	Very high	90.6	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-71.6	-33	174.9	175.2	0	0	0	0	112.1	R447 L450 I451 L454 A468 Q469 D470 L475 I586 F587	R447-V472 HydrophobicContact CG-CG1 3.66Å; L450-V472 HydrophobicContact CD2-CG1 4.25Å; L450-V472 HydrophobicContact CD2-CG2 3.94Å; I451-V472 HydrophobicContact CD1-CG1 4.11Å; I451-V472 HydrophobicContact CG1-CB 4.36Å; I451-V472 HydrophobicContact CG1-CG1 3.84Å; L454-V472 HydrophobicContact CD1-CG2 4.18Å; A468-V472 WeakPolarHBondContact O-CG2 3.49Å; A468-V472 PolarHBondContact O-N 3.11Å; A468-V472 VanDerWaalsContact O-N 3.11Å; Q469-V472 PolarHBondContact O-N 2.89Å; D470-V472 VanDerWaalsContact C-N 3.35Å; D470-V472 PolarHBondContact O-N 2.55Å; V472-L475 VanDerWaalsContact O-CB 3.32Å; V472-L475 WeakPolarHBondContact O-CB 3.48Å; V472-L475 PolarHBondContact O-N 3.17Å; V472-I586 HydrophobicContact CG2-CD1 4.35Å; V472-F587 HydrophobicContact CG2-CE2 4.1Å; V472-F587 HydrophobicContact CG2-CZ 3.53Å
473	A	91.5	Very high	90.1	Very high	67 Å²	67	52.6 Å²	52.6	55%	0.554	27%	0.268	S	S	*	.	H	α-helix	trans	-69.9	-33.4	179.3	0	0	0	0	0	112.7	Q469 D470 L475	Q469-A473 WeakPolarHBondContact O-CB 3.44Å; Q469-A473 PolarHBondContact O-N 3.41Å; D470-A473 PolarHBondContact O-N 3.43Å; D470-A473 VanDerWaalsContact O-N 3.16Å; A473-L475 VanDerWaalsContact C-N 3.34Å
474	Q	92.3	Very high	89.4	Confident	142 Å²	142	50.5 Å²	50.5	66%	0.664	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-5	178.5	-66	174.9	23.4	0	0	113.6	D470 Q476	D470-Q474 WeakPolarHBondContact O-CB 3.47Å; D470-Q474 VanDerWaalsContact O-CG 3.31Å; D470-Q474 WeakPolarHBondContact O-CG 3.3Å; D470-Q474 PolarHBondContact O-N 3.38Å; Q474-Q476 PolarHBondContact O-N 3.24Å
475	L	93.6	Very high	88.7	Confident	17 Å²	17	50.3 Å²	50.3	9%	0.089	25%	0.254	C	S	.	.			trans	-60.2	126.4	-178.5	-178.3	71.9	0	0	0	111.9	F443 K471 V472 A473 V477 Y543 H548 V550 L583 I586	F443-L475 HydrophobicContact CZ-CD2 4.33Å; K471-L475 PolarHBondContact O-N 2.91Å; V472-L475 VanDerWaalsContact O-CB 3.32Å; V472-L475 WeakPolarHBondContact O-CB 3.48Å; V472-L475 PolarHBondContact O-N 3.17Å; A473-L475 VanDerWaalsContact C-N 3.34Å; L475-V477 HydrophobicContact CD2-CG2 4.4Å; L475-V477 HydrophobicContact CG-CG2 4.42Å; L475-Y543 HydrophobicContact CD1-CD2 4.18Å; L475-Y543 HydrophobicContact CD1-CE2 3.76Å; L475-H548 WeakPolarHBondContact CA-NE2 3.06Å; L475-V550 HydrophobicContact CD1-CB 4.47Å; L475-V550 HydrophobicContact CD1-CG1 4.48Å; L475-V550 HydrophobicContact CD2-CB 4.34Å; L475-V550 HydrophobicContact CD2-CG1 3.73Å; L475-V550 HydrophobicContact CG-CG1 4.18Å; L475-L583 HydrophobicContact CD2-CD2 3.19Å; L475-I586 HydrophobicContact CD1-CD1 3.93Å; L475-I586 HydrophobicContact CD2-CD1 3.8Å; L475-I586 HydrophobicContact CG-CD1 4.38Å
476	Q	91.5	Very high	88.1	Confident	110 Å²	110	51.5 Å²	51.5	51%	0.514	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	143.1	169.7	-57.5	-176.3	6.8	0	0	110.3	Q474 H548 V549 V550	Q474-Q476 PolarHBondContact O-N 3.24Å; Q476-H548 PolarHBondContact N-O 3.19Å; Q476-V549 HydrophobicContact CB-CB 4.3Å; Q476-V549 HydrophobicContact CB-CG1 4.25Å; Q476-V549 HydrophobicContact CB-CG2 3.75Å; Q476-V549 HydrophobicContact CG-CG2 4.4Å; Q476-V549 WeakPolarHBondContact O-CA 3.45Å; Q476-V550 PolarHBondContact O-N 3.06Å
477	V	91.9	Very high	87.6	Confident	38 Å²	38	53.4 Å²	53.4	23%	0.23	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	122	-172.2	-176	0	0	0	0	109.5	M440 F443 L475 M479 V550	M440-V477 HydrophobicContact CE-CG1 4.13Å; F443-V477 HydrophobicContact CD1-CG1 4.05Å; F443-V477 HydrophobicContact CD1-CG2 4.31Å; F443-V477 HydrophobicContact CD2-CG1 4.34Å; F443-V477 HydrophobicContact CE1-CB 4.2Å; F443-V477 HydrophobicContact CE1-CG1 3.87Å; F443-V477 HydrophobicContact CE1-CG2 3.38Å; F443-V477 HydrophobicContact CE2-CG1 4.13Å; F443-V477 HydrophobicContact CE2-CG2 4.29Å; F443-V477 HydrophobicContact CG-CG1 4.3Å; F443-V477 HydrophobicContact CZ-CB 4.28Å; F443-V477 HydrophobicContact CZ-CG1 3.89Å; F443-V477 HydrophobicContact CZ-CG2 3.34Å; L475-V477 HydrophobicContact CD2-CG2 4.4Å; L475-V477 HydrophobicContact CG-CG2 4.42Å; V477-M479 HydrophobicContact CG1-CE 4.06Å; V477-V550 HydrophobicContact CB-CG1 4.26Å; V477-V550 HydrophobicContact CG1-CG1 4.09Å; V477-V550 HydrophobicContact CG2-CG1 3.92Å
478	E	90.6	Very high	87	Confident	46 Å²	46	52.2 Å²	52.2	22%	0.215	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.8	-178.7	-77.7	-63.2	172.9	0	0	109.3	W532 V549 V550 V551 F552	E478-W532 HydrophobicContact CB-CE3 4.14Å; E478-W532 HydrophobicContact CB-CH2 4.32Å; E478-W532 HydrophobicContact CB-CZ3 3.57Å; E478-W532 HydrophobicContact CG-CE3 4.38Å; E478-W532 HydrophobicContact CG-CZ3 4.21Å; E478-V549 HydrophobicContact CB-CG1 4.19Å; E478-V549 HydrophobicContact CG-CG1 3.63Å; E478-V550 PolarHBondContact N-O 3.48Å; E478-V551 HydrophobicContact CB-CB 4.41Å; E478-V551 HydrophobicContact CB-CG1 4.36Å; E478-V551 HydrophobicContact CB-CG2 3.98Å; E478-F552 PolarHBondContact O-N 3.41Å
479	M	91.8	Very high	86.7	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.015	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	110	-167.1	-167.6	72.8	62.1	0	0	111	F431 A439 M440 F443 V477 A481 F552 L557 M579	F431-M479 WeakPolarHBondContact CE1-O 3.43Å; F431-M479 HydrophobicContact CZ-CG 4.16Å; A439-M479 HydrophobicContact CB-CG 4.16Å; A439-M479 HydrophobicContact CB-SD 3.74Å; M440-M479 HydrophobicContact CE-CB 3.94Å; M440-M479 HydrophobicContact CE-CE 4.08Å; M440-M479 HydrophobicContact CE-CG 4.43Å; M440-M479 HydrophobicContact SD-CE 4.44Å; F443-M479 HydrophobicContact CB-CE 3.75Å; F443-M479 HydrophobicContact CD2-CE 4.4Å; F443-M479 HydrophobicContact CG-CE 4.05Å; V477-M479 HydrophobicContact CG1-CE 4.06Å; M479-A481 PolarHBondContact O-N 3.02Å; M479-F552 HydrophobicContact CE-CD2 4.05Å; M479-F552 HydrophobicContact SD-CB 3.98Å; M479-F552 HydrophobicContact SD-CD2 4.35Å; M479-F552 HydrophobicContact SD-CG 4.45Å; M479-L557 HydrophobicContact CG-CD1 4.07Å; M479-L557 HydrophobicContact SD-CD1 3.57Å; M479-L557 VanDerWaalsContact SD-CD1 3.57Å; M479-M579 HydrophobicContact CE-CE 4.25Å; M479-M579 HydrophobicContact SD-CE 4.2Å
480	G	90.1	Very high	86.2	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92	-70.9	179.2	0	0	0	0	0	113	F431 F552 P553 A554	F431-G480 VanDerWaalsContact CE1-CA 3.45Å; G480-F552 WeakPolarHBondContact CA-O 3.37Å; G480-F552 PolarHBondContact N-O 3.45Å; G480-P553 CarbonylContact O-C 3.3Å; G480-P553 WeakPolarHBondContact O-CA 3.36Å; G480-A554 WeakPolarHBondContact O-CB 3.31Å; G480-A554 PolarHBondContact O-N 2.82Å
481	A	85.8	Confident	85.7	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.008	27%	0.272	C	S	.	.	S	Bend	trans	-151.7	161.1	179	0	0	0	0	0	109.3	V427 M479 A485 L486 P536	V427-A481 HydrophobicContact CG2-CB 3.48Å; V427-A481 VanDerWaalsContact CG2-CB 3.48Å; M479-A481 PolarHBondContact O-N 3.02Å; A481-A485 HydrophobicContact CB-CB 3.76Å; A481-L486 HydrophobicContact CB-CD2 4.35Å; A481-P536 HydrophobicContact CB-CB 3.97Å; A481-P536 HydrophobicContact CB-CG 3.93Å
482	S	79.6	Confident	85.3	Confident	9 Å²	9	57.2 Å²	57.2	6%	0.063	28%	0.281	C	S	.	.			trans	-57.3	154.8	173	58.7	0	0	0	0	111.3	W484 A485 L486	S482-W484 VanDerWaalsContact CB-CD1 3.48Å; S482-W484 PolarHBondContact O-N 3.48Å; S482-W484 VanDerWaalsContact O-N 3.12Å; S482-W484 VanDerWaalsContact OG-CD2 3.26Å; S482-W484 PolarHBondContact OG-NE1 2.93Å; S482-A485 PolarHBondContact O-N 3.23Å; S482-A485 WeakPolarHBondContact OG-CB 3.1Å; S482-A485 PolarHBondContact OG-N 2.87Å; S482-L486 PolarHBondContact O-N 3.34Å
483	E	78.4	Confident	84.9	Confident	119 Å²	119	60.4 Å²	60.4	56%	0.556	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.6	179	-66.3	-166.5	149.2	0	0	113.3	L486	E483-L486 PolarHBondContact O-N 3.2Å
484	W	75.4	Confident	84.7	Confident	82 Å²	82	62.8 Å²	62.8	31%	0.311	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-43.7	175.8	66.9	-107.1	0	0	0	111.1	P420 A423 S482 L486 K487 L490	P420-W484 HydrophobicContact CB-CH2 4.3Å; P420-W484 HydrophobicContact CB-CZ3 3.85Å; P420-W484 HydrophobicContact CG-CZ3 4.49Å; A423-W484 HydrophobicContact CB-CH2 3.94Å; A423-W484 HydrophobicContact CB-CZ3 3.94Å; S482-W484 VanDerWaalsContact CB-CD1 3.48Å; S482-W484 PolarHBondContact O-N 3.48Å; S482-W484 VanDerWaalsContact O-N 3.12Å; S482-W484 VanDerWaalsContact OG-CD2 3.26Å; S482-W484 PolarHBondContact OG-NE1 2.93Å; W484-L486 PolarHBondContact O-N 3.02Å; W484-K487 VanDerWaalsContact O-CB 3.29Å; W484-K487 WeakPolarHBondContact O-CB 3.28Å; W484-K487 WeakPolarHBondContact O-CG 3.19Å; W484-K487 PolarHBondContact O-N 3.4Å; W484-K487 VanDerWaalsContact O-N 3.08Å; W484-L490 HydrophobicContact CB-CD1 4.34Å; W484-L490 HydrophobicContact CD2-CD1 4.34Å; W484-L490 HydrophobicContact CE3-CD1 3.33Å; W484-L490 HydrophobicContact CZ3-CD1 3.98Å; W484-L490 WeakPolarHBondContact O-CD1 3.42Å
485	A	75.3	Confident	84.5	Confident	0 Å²	0	56 Å²	56	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-16.9	-175.9	0	0	0	0	0	113.4	A423 A424 A481 S482 K487	A423-A485 HydrophobicContact CB-CB 4.03Å; A424-A485 WeakPolarHBondContact CA-O 3.45Å; A481-A485 HydrophobicContact CB-CB 3.76Å; S482-A485 PolarHBondContact O-N 3.23Å; S482-A485 WeakPolarHBondContact OG-CB 3.1Å; S482-A485 PolarHBondContact OG-N 2.87Å; A485-K487 PolarHBondContact O-N 3.04Å
486	L	77.4	Confident	84.2	Confident	57 Å²	57	60.4 Å²	60.4	30%	0.298	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-14.6	174.2	-57.5	-178.1	0	0	0	112.9	V427 A481 S482 E483 W484 P488	V427-L486 HydrophobicContact CG1-CD2 3.71Å; A481-L486 HydrophobicContact CB-CD2 4.35Å; S482-L486 PolarHBondContact O-N 3.34Å; E483-L486 PolarHBondContact O-N 3.2Å; W484-L486 PolarHBondContact O-N 3.02Å; L486-P488 VanDerWaalsContact O-CD 3.3Å; L486-P488 WeakPolarHBondContact O-CD 3.23Å
487	K	80.9	Confident	84.1	Confident	120 Å²	120	59.1 Å²	59.1	52%	0.522	28%	0.284	S	S	.	.			trans	-77.9	113.9	-177.3	-64.6	-178.6	-177	178.5	0	110.4	W484 A485 E489 L490	W484-K487 VanDerWaalsContact O-CB 3.29Å; W484-K487 WeakPolarHBondContact O-CB 3.28Å; W484-K487 WeakPolarHBondContact O-CG 3.19Å; W484-K487 PolarHBondContact O-N 3.4Å; W484-K487 VanDerWaalsContact O-N 3.08Å; A485-K487 PolarHBondContact O-N 3.04Å; K487-E489 WeakPolarHBondContact CB-OE2 3.29Å; K487-E489 PolarHBondContact O-N 2.89Å; K487-E489 VanDerWaalsContact O-N 3.11Å; K487-L490 HydrophobicContact CB-CG 4.31Å; K487-L490 PolarHBondContact O-N 2.95Å; K487-L490 VanDerWaalsContact O-N 3.16Å
488	P	77.8	Confident	84.2	Confident	80 Å²	80	57.4 Å²	57.4	52%	0.519	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-58.9	-26.1	-179.6	-23.8	35	0	0	0	113.4	L486 L490 A491	L486-P488 VanDerWaalsContact O-CD 3.3Å; L486-P488 WeakPolarHBondContact O-CD 3.23Å; P488-L490 PolarHBondContact O-N 3.01Å; P488-A491 WeakPolarHBondContact O-CB 3.26Å; P488-A491 PolarHBondContact O-N 3.45Å
489	E	85.2	Confident	84.4	Confident	128 Å²	128	62.5 Å²	62.5	60%	0.598	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-63.6	-26	-178.6	-58.6	71.9	-151.8	0	0	112.2	K487 A491 R492 Q493	K487-E489 WeakPolarHBondContact CB-OE2 3.29Å; K487-E489 PolarHBondContact O-N 2.89Å; K487-E489 VanDerWaalsContact O-N 3.11Å; E489-A491 VanDerWaalsContact C-N 3.27Å; E489-A491 PolarHBondContact O-N 3.46Å; E489-R492 CarbonylContact O-C 2.95Å; E489-R492 WeakPolarHBondContact O-CA 3.01Å; E489-R492 PolarHBondContact O-N 3.41Å; E489-Q493 PolarHBondContact O-N 3.31Å; E489-Q493 VanDerWaalsContact O-N 3.16Å
490	L	82.5	Confident	84.4	Confident	35 Å²	35	64.6 Å²	64.6	18%	0.183	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-70.1	-23.4	178.4	-70.3	-176.4	0	0	0	113.8	T421 A424 W484 K487 P488 R492 Q493	T421-L490 PolarHBondContact OG1-O 3.48Å; A424-L490 HydrophobicContact CB-CB 4.12Å; W484-L490 HydrophobicContact CB-CD1 4.34Å; W484-L490 HydrophobicContact CD2-CD1 4.34Å; W484-L490 HydrophobicContact CE3-CD1 3.33Å; W484-L490 HydrophobicContact CZ3-CD1 3.98Å; W484-L490 WeakPolarHBondContact O-CD1 3.42Å; K487-L490 HydrophobicContact CB-CG 4.31Å; K487-L490 PolarHBondContact O-N 2.95Å; K487-L490 VanDerWaalsContact O-N 3.16Å; P488-L490 PolarHBondContact O-N 3.01Å; L490-R492 PolarHBondContact O-N 3.26Å; L490-Q493 HydrophobicContact CD2-CB 4.46Å; L490-Q493 WeakPolarHBondContact O-CB 3.17Å; L490-Q493 PolarHBondContact O-N 3.04Å
491	A	81	Confident	84.3	Confident	2 Å²	2	66.1 Å²	66.1	2%	0.017	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-58.3	-34.6	167.6	0	0	0	0	0	110.5	E145 T421 A424 L425 P488 E489	E145-A491 HydrophobicContact CG-CB 4.35Å; E145-A491 WeakPolarHBondContact CG-O 3.36Å; E145-A491 PolarHBondContact N-O 3.4Å; T421-A491 WeakPolarHBondContact CG2-O 3.19Å; A424-A491 HydrophobicContact CB-CB 4.13Å; L425-A491 HydrophobicContact CD2-CB 3.82Å; L425-A491 HydrophobicContact CG-CB 4.02Å; P488-A491 WeakPolarHBondContact O-CB 3.26Å; P488-A491 PolarHBondContact O-N 3.45Å; E489-A491 VanDerWaalsContact C-N 3.27Å; E489-A491 PolarHBondContact O-N 3.46Å
492	R	84.3	Confident	84.5	Confident	145 Å²	145	71.7 Å²	71.7	55%	0.547	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-98.1	7.2	-178.5	-62.5	178.6	-174.7	162.1	0.9	113.8	E145 E489 L490 E494	E145-R492 WeakPolarHBondContact OE2-CG 3.03Å; E489-R492 CarbonylContact O-C 2.95Å; E489-R492 WeakPolarHBondContact O-CA 3.01Å; E489-R492 PolarHBondContact O-N 3.41Å; L490-R492 PolarHBondContact O-N 3.26Å; R492-E494 PolarHBondContact O-N 3.49Å
493	Q	87	Confident	85.2	Confident	68 Å²	68	71.9 Å²	71.9	32%	0.318	36%	0.364	S	S	.	.			trans	-53.4	129.5	177.9	176.3	177.8	-8.5	0	0	110	G144 E489 L490 Y495	G144-Q493 VanDerWaalsContact CA-O 3.25Å; G144-Q493 WeakPolarHBondContact CA-O 3.29Å; G144-Q493 PolarHBondContact N-O 3.5Å; E489-Q493 PolarHBondContact O-N 3.31Å; E489-Q493 VanDerWaalsContact O-N 3.16Å; L490-Q493 HydrophobicContact CD2-CB 4.46Å; L490-Q493 WeakPolarHBondContact O-CB 3.17Å; L490-Q493 PolarHBondContact O-N 3.04Å; Q493-Y495 WeakPolarHBondContact O-CD2 3.2Å
494	E	86.3	Confident	86.1	Confident	116 Å²	116	66.6 Å²	66.6	54%	0.542	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-76.5	137.9	175.9	-66.7	-179.5	-169.6	0	0	110.9	R492 N496	R492-E494 PolarHBondContact O-N 3.49Å; E494-N496 PolarHBondContact OE2-ND2 3.22Å
495	Y	88.6	Confident	87.1	Confident	1 Å²	1	62.9 Å²	62.9	0%	0.004	33%	0.326	C	S	.	.			trans	-111	59.7	173.8	-64.5	-94.4	0	0	0	110.7	G144 K147 F418 T421 Q493 D497 I498 R518	G144-Y495 VanDerWaalsContact CA-CE2 3.45Å; K147-Y495 PolarHBondContact NZ-O 2.99Å; F418-Y495 HydrophobicContact CD1-CD1 4.41Å; F418-Y495 AromaticContact CD1-CD2 3.96Å; F418-Y495 HydrophobicContact CD1-CD2 3.96Å; F418-Y495 HydrophobicContact CD1-CE1 4.24Å; F418-Y495 AromaticContact CD1-CE2 3.76Å; F418-Y495 HydrophobicContact CD1-CE2 3.76Å; F418-Y495 HydrophobicContact CD1-CG 4.27Å; F418-Y495 AromaticContact CD1-CZ 3.9Å; F418-Y495 HydrophobicContact CE1-CD2 4.13Å; F418-Y495 HydrophobicContact CE1-CE2 4.4Å; F418-Y495 HydrophobicContact CE1-CG 4.19Å; T421-Y495 WeakPolarHBondContact OG1-CE2 3.37Å; T421-Y495 PolarHBondContact OG1-OH 3.27Å; Q493-Y495 WeakPolarHBondContact O-CD2 3.2Å; Y495-D497 PolarHBondContact O-N 3.42Å; Y495-I498 HydrophobicContact CD1-CD1 3.75Å; Y495-I498 HydrophobicContact CG-CD1 4.01Å; Y495-I498 PolarHBondContact O-N 3.1Å; Y495-R518 VanDerWaalsContact CD1-NH1 3.3Å
496	N	87.6	Confident	88	Confident	108 Å²	108	65.4 Å²	65.4	58%	0.578	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.5	-171.8	-68.8	-31.6	0	0	0	114.4	E494	E494-N496 PolarHBondContact OE2-ND2 3.22Å
497	D	89.8	Confident	89	Confident	83 Å²	83	62.7 Å²	62.7	44%	0.444	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.4	175	63.2	-40	0	0	0	114.3	Y495 S514	Y495-D497 PolarHBondContact O-N 3.42Å; D497-S514 VanDerWaalsContact CG-OG 3.23Å; D497-S514 PolarHBondContact OD1-OG 3.09Å; D497-S514 WeakPolarHBondContact OD2-CA 3.36Å; D497-S514 WeakPolarHBondContact OD2-CB 3.35Å; D497-S514 PolarHBondContact OD2-OG 3.23Å
498	I	94	Very high	89.7	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	30%	0.303	C	S	.	.			trans	-90.7	118.9	174.7	-62.1	-179.7	0	0	0	109.8	K147 F418 Y495 L500 S514	K147-I498 HydrophobicContact CD-CB 4.47Å; K147-I498 PolarHBondContact NZ-O 3.08Å; F418-I498 HydrophobicContact CD1-CD1 4.41Å; F418-I498 HydrophobicContact CE1-CD1 3.6Å; F418-I498 HydrophobicContact CZ-CD1 3.83Å; F418-I498 HydrophobicContact CZ-CG2 4.29Å; Y495-I498 HydrophobicContact CD1-CD1 3.75Å; Y495-I498 HydrophobicContact CG-CD1 4.01Å; Y495-I498 PolarHBondContact O-N 3.1Å; I498-L500 HydrophobicContact CG2-CD2 3.78Å; I498-L500 HydrophobicContact CG2-CG 4.31Å; I498-S514 VanDerWaalsContact CG1-CB 3.5Å; I498-S514 WeakPolarHBondContact CG1-OG 3.33Å
499	Q	93	Very high	90.5	Very high	154 Å²	154	54.2 Å²	54.2	72%	0.72	28%	0.28	S	S	*	.			trans	-117.5	104.3	172	-64.4	-177.9	9.3	0	0	108	G501 S510	Q499-G501 PolarHBondContact O-N 3.1Å; Q499-S510 PolarHBondContact N-OG 3.46Å; Q499-S510 VanDerWaalsContact O-CB 3.24Å; Q499-S510 WeakPolarHBondContact O-CB 3.49Å; Q499-S510 PolarHBondContact O-OG 3.08Å
500	L	92.8	Very high	91	Very high	47 Å²	47	48.8 Å²	48.8	25%	0.246	26%	0.256	C	S	.	.			trans	-67.6	123.1	177.1	-58.6	-178.3	0	0	0	108.7	Q150 F151 I498	Q150-L500 HydrophobicContact CB-CD1 3.33Å; Q150-L500 HydrophobicContact CG-CD1 4.45Å; F151-L500 HydrophobicContact CB-CD1 4.41Å; F151-L500 HydrophobicContact CB-CD2 4.25Å; F151-L500 HydrophobicContact CD2-CD2 4.05Å; I498-L500 HydrophobicContact CG2-CD2 3.78Å; I498-L500 HydrophobicContact CG2-CG 4.31Å
501	G	88.3	Confident	91.6	Very high	31 Å²	31	47.1 Å²	47.1	32%	0.32	25%	0.247	S	C	.	.			trans	-84	178.6	-173.9	0	0	0	0	0	113.1	Q499 S503 S507	Q499-G501 PolarHBondContact O-N 3.1Å; G501-S503 PolarHBondContact O-N 3.14Å; G501-S507 PolarHBondContact N-OG 3.5Å
502	S	89.5	Confident	92.2	Very high	118 Å²	118	48.5 Å²	48.5	83%	0.825	26%	0.255	S	S	*	.	S	Bend	trans	-72.8	-11	179	59	0	0	0	0	113.7	Q506	S502-Q506 VanDerWaalsContact N-OE1 3.1Å; S502-Q506 PolarHBondContact OG-OE1 3.2Å; S502-Q506 VanDerWaalsContact OG-OE1 3.08Å
503	S	94.8	Very high	92.6	Very high	13 Å²	13	46.3 Å²	46.3	9%	0.091	25%	0.247	C	C	.	.	S	Bend	trans	-127.2	156.6	173.2	61.7	0	0	0	0	111.1	P168 G501 L505 Q506 S507	P168-S503 WeakPolarHBondContact CG-OG 3.41Å; G501-S503 PolarHBondContact O-N 3.14Å; S503-L505 VanDerWaalsContact C-N 3.3Å; S503-L505 PolarHBondContact O-N 3.21Å; S503-Q506 PolarHBondContact O-N 3.47Å; S503-Q506 VanDerWaalsContact OG-CG 3.32Å; S503-Q506 WeakPolarHBondContact OG-CG 3.1Å; S503-Q506 PolarHBondContact OG-N 3.48Å; S503-S507 PolarHBondContact O-N 3.4Å; S503-S507 VanDerWaalsContact O-N 3.12Å; S503-S507 PolarHBondContact O-OG 2.96Å
504	F	96.5	Very high	92.9	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.035	23%	0.233	C	C	.	.	H	α-helix	trans	-57.8	-42.3	175.6	-178.5	-124.2	0	0	0	112.1	F151 C155 I161 A376 E413 Q506 S507 V508	F151-F504 HydrophobicContact CE1-CE2 4.37Å; F151-F504 HydrophobicContact CE2-CE2 4.09Å; F151-F504 AromaticContact CZ-CE2 3.82Å; F151-F504 HydrophobicContact CZ-CE2 3.82Å; F151-F504 HydrophobicContact CZ-CZ 4.29Å; C155-F504 VanDerWaalsContact CA-CE2 3.42Å; C155-F504 HydrophobicContact CB-CD2 4.12Å; C155-F504 HydrophobicContact CB-CE2 3.38Å; C155-F504 HydrophobicContact CB-CZ 3.63Å; I161-F504 HydrophobicContact CD1-CB 3.77Å; I161-F504 HydrophobicContact CD1-CD1 3.78Å; I161-F504 HydrophobicContact CD1-CG 3.88Å; I161-F504 HydrophobicContact CG1-CB 3.65Å; I161-F504 HydrophobicContact CG1-CD1 4.42Å; I161-F504 HydrophobicContact CG1-CG 4.31Å; A376-F504 HydrophobicContact CB-CD1 4.1Å; A376-F504 HydrophobicContact CB-CE1 4.03Å; E413-F504 VanDerWaalsContact OE2-CZ 3.32Å; E413-F504 WeakPolarHBondContact OE2-CZ 3.49Å; F504-Q506 PolarHBondContact O-N 3.12Å; F504-S507 WeakPolarHBondContact O-CB 3.32Å; F504-S507 PolarHBondContact O-N 3.45Å; F504-S507 VanDerWaalsContact O-N 3.16Å; F504-V508 HydrophobicContact CD1-CG2 4.38Å; F504-V508 HydrophobicContact CD2-CG2 4.24Å; F504-V508 HydrophobicContact CE1-CG2 3.97Å; F504-V508 HydrophobicContact CE2-CG2 3.79Å; F504-V508 HydrophobicContact CZ-CG2 3.66Å; F504-V508 WeakPolarHBondContact O-CG2 3.31Å; F504-V508 PolarHBondContact O-N 3.32Å
505	L	96.5	Very high	93.1	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-56.8	-46.7	176.3	-179.4	66.4	0	0	0	112.2	P168 L169 L373 A376 L377 S503 S507 V508 L509	P168-L505 HydrophobicContact CB-CB 4.13Å; P168-L505 HydrophobicContact CB-CD2 3.7Å; P168-L505 HydrophobicContact CB-CG 4.45Å; L169-L505 HydrophobicContact CB-CD2 4.26Å; L373-L505 HydrophobicContact CB-CD1 4.09Å; L373-L505 HydrophobicContact CD1-CD1 4.28Å; L373-L505 HydrophobicContact CD2-CD1 4.18Å; L373-L505 HydrophobicContact CG-CD1 4.4Å; A376-L505 HydrophobicContact CB-CD1 3.85Å; L377-L505 HydrophobicContact CD2-CB 4.49Å; L377-L505 HydrophobicContact CD2-CD1 4.24Å; L377-L505 HydrophobicContact CD2-CD2 3.77Å; L377-L505 HydrophobicContact CD2-CG 4.38Å; S503-L505 VanDerWaalsContact C-N 3.3Å; S503-L505 PolarHBondContact O-N 3.21Å; L505-S507 VanDerWaalsContact C-N 3.31Å; L505-S507 PolarHBondContact O-N 3Å; L505-V508 PolarHBondContact O-N 2.74Å; L505-L509 HydrophobicContact CD1-CG 4.45Å; L505-L509 HydrophobicContact CG-CD1 4.19Å; L505-L509 HydrophobicContact CG-CG 4.46Å; L505-L509 VanDerWaalsContact O-CG 3.29Å; L505-L509 WeakPolarHBondContact O-CG 3.25Å; L505-L509 PolarHBondContact O-N 3.37Å
506	Q	95.2	Very high	93.1	Very high	53 Å²	53	42 Å²	42	25%	0.248	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-38.2	178.9	-74.6	172.9	-16.5	0	0	112.1	S502 S503 F504 L509 S510	S502-Q506 VanDerWaalsContact N-OE1 3.1Å; S502-Q506 PolarHBondContact OG-OE1 3.2Å; S502-Q506 VanDerWaalsContact OG-OE1 3.08Å; S503-Q506 PolarHBondContact O-N 3.47Å; S503-Q506 VanDerWaalsContact OG-CG 3.32Å; S503-Q506 WeakPolarHBondContact OG-CG 3.1Å; S503-Q506 PolarHBondContact OG-N 3.48Å; F504-Q506 PolarHBondContact O-N 3.12Å; Q506-L509 PolarHBondContact O-N 2.96Å; Q506-S510 PolarHBondContact O-N 2.82Å
507	S	96.8	Very high	93.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.007	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-46.5	173.4	-65.6	0	0	0	0	111.7	G501 S503 F504 L505 L509 S510 C511	G501-S507 PolarHBondContact N-OG 3.5Å; S503-S507 PolarHBondContact O-N 3.4Å; S503-S507 VanDerWaalsContact O-N 3.12Å; S503-S507 PolarHBondContact O-OG 2.96Å; F504-S507 WeakPolarHBondContact O-CB 3.32Å; F504-S507 PolarHBondContact O-N 3.45Å; F504-S507 VanDerWaalsContact O-N 3.16Å; L505-S507 VanDerWaalsContact C-N 3.31Å; L505-S507 PolarHBondContact O-N 3Å; S507-L509 VanDerWaalsContact C-N 3.34Å; S507-L509 PolarHBondContact O-N 3.25Å; S507-S510 PolarHBondContact O-N 2.88Å; S507-C511 PolarHBondContact O-N 3.17Å; S507-C511 PolarHBondContact O-SG 2.96Å; S507-C511 VanDerWaalsContact O-SG 3.32Å
508	V	96.3	Very high	93.1	Very high	15 Å²	15	36.4 Å²	36.4	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-57.3	-46.5	174.1	171	0	0	0	0	111	F151 A376 F417 F504 L505 S510 C511 V512	F151-V508 HydrophobicContact CE2-CG2 4.02Å; F151-V508 HydrophobicContact CZ-CG2 4.02Å; A376-V508 HydrophobicContact CB-CB 4.36Å; A376-V508 HydrophobicContact CB-CG1 4.43Å; A376-V508 HydrophobicContact CB-CG2 4Å; F417-V508 HydrophobicContact CZ-CG1 4.26Å; F504-V508 HydrophobicContact CD1-CG2 4.38Å; F504-V508 HydrophobicContact CD2-CG2 4.24Å; F504-V508 HydrophobicContact CE1-CG2 3.97Å; F504-V508 HydrophobicContact CE2-CG2 3.79Å; F504-V508 HydrophobicContact CZ-CG2 3.66Å; F504-V508 WeakPolarHBondContact O-CG2 3.31Å; F504-V508 PolarHBondContact O-N 3.32Å; L505-V508 PolarHBondContact O-N 2.74Å; V508-S510 PolarHBondContact O-N 2.85Å; V508-C511 PolarHBondContact O-N 3.29Å; V508-V512 HydrophobicContact CG1-CG2 4.28Å; V508-V512 VanDerWaalsContact O-CG2 3.31Å; V508-V512 WeakPolarHBondContact O-CG2 3.32Å; V508-V512 PolarHBondContact O-N 2.86Å
509	L	95.3	Very high	92.7	Very high	6 Å²	6	40 Å²	40	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-40.8	179.8	-68.6	176	0	0	0	112.8	V172 Y201 L373 L505 Q506 S507 V512 R513	V172-L509 HydrophobicContact CG2-CD1 3.8Å; Y201-L509 HydrophobicContact CD1-CD1 4.38Å; Y201-L509 HydrophobicContact CD1-CD2 3.51Å; Y201-L509 HydrophobicContact CE1-CD1 3.95Å; Y201-L509 HydrophobicContact CE1-CD2 3.93Å; L373-L509 HydrophobicContact CD2-CD2 3.85Å; L505-L509 HydrophobicContact CD1-CG 4.45Å; L505-L509 HydrophobicContact CG-CD1 4.19Å; L505-L509 HydrophobicContact CG-CG 4.46Å; L505-L509 VanDerWaalsContact O-CG 3.29Å; L505-L509 WeakPolarHBondContact O-CG 3.25Å; L505-L509 PolarHBondContact O-N 3.37Å; Q506-L509 PolarHBondContact O-N 2.96Å; S507-L509 VanDerWaalsContact C-N 3.34Å; S507-L509 PolarHBondContact O-N 3.25Å; L509-V512 PolarHBondContact O-N 3.34Å; L509-R513 WeakPolarHBondContact O-CG 3.22Å; L509-R513 PolarHBondContact O-N 3.06Å; L509-R513 VanDerWaalsContact O-N 3.12Å
510	S	95.5	Very high	92.5	Very high	14 Å²	14	33 Å²	33	10%	0.098	18%	0.183	C	C	.	.	H	α-helix	trans	-61.1	-46.2	174	-177.5	0	0	0	0	111	Q499 Q506 S507 V508 V512 R513 S514	Q499-S510 PolarHBondContact N-OG 3.46Å; Q499-S510 VanDerWaalsContact O-CB 3.24Å; Q499-S510 WeakPolarHBondContact O-CB 3.49Å; Q499-S510 PolarHBondContact O-OG 3.08Å; Q506-S510 PolarHBondContact O-N 2.82Å; S507-S510 PolarHBondContact O-N 2.88Å; V508-S510 PolarHBondContact O-N 2.85Å; S510-V512 PolarHBondContact O-N 3.24Å; S510-R513 PolarHBondContact O-N 2.93Å; S510-S514 WeakPolarHBondContact O-CB 3.45Å; S510-S514 PolarHBondContact O-N 3.33Å
511	C	95.3	Very high	92.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-38.3	177.3	-69.5	0	0	0	0	113	F151 F417 S507 V508 S514 L515	F151-C511 HydrophobicContact CE2-CB 4.5Å; F417-C511 HydrophobicContact CB-CB 3.85Å; F417-C511 HydrophobicContact CD1-CB 3.5Å; F417-C511 VanDerWaalsContact CD1-CB 3.5Å; F417-C511 HydrophobicContact CD2-CB 3.72Å; F417-C511 HydrophobicContact CE1-CB 3.88Å; F417-C511 HydrophobicContact CE2-CB 4.08Å; F417-C511 HydrophobicContact CG-CB 3.41Å; F417-C511 VanDerWaalsContact CG-CB 3.41Å; F417-C511 HydrophobicContact CZ-CB 4.16Å; S507-C511 PolarHBondContact O-N 3.17Å; S507-C511 PolarHBondContact O-SG 2.96Å; S507-C511 VanDerWaalsContact O-SG 3.32Å; V508-C511 PolarHBondContact O-N 3.29Å; C511-S514 PolarHBondContact O-N 3.2Å; C511-L515 VanDerWaalsContact O-CB 3.28Å; C511-L515 WeakPolarHBondContact O-CB 3.42Å; C511-L515 PolarHBondContact O-N 3.03Å
512	V	93.3	Very high	92	Very high	31 Å²	31	36.8 Å²	36.8	19%	0.188	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-47.6	175.3	166.2	0	0	0	0	111.2	F417 V508 L509 S510 S514 L515 R516	F417-V512 HydrophobicContact CE1-CG2 3.87Å; F417-V512 HydrophobicContact CZ-CG2 3.97Å; V508-V512 HydrophobicContact CG1-CG2 4.28Å; V508-V512 VanDerWaalsContact O-CG2 3.31Å; V508-V512 WeakPolarHBondContact O-CG2 3.32Å; V508-V512 PolarHBondContact O-N 2.86Å; L509-V512 PolarHBondContact O-N 3.34Å; S510-V512 PolarHBondContact O-N 3.24Å; V512-S514 PolarHBondContact O-N 2.92Å; V512-L515 PolarHBondContact O-N 2.85Å; V512-R516 VanDerWaalsContact O-CG 3.27Å; V512-R516 WeakPolarHBondContact O-CG 3.29Å; V512-R516 PolarHBondContact O-N 3.44Å
513	R	92.4	Very high	91.5	Very high	99 Å²	99	32.3 Å²	32.3	37%	0.374	16%	0.164	S	C	.	.	H	α-helix	trans	-61	-47.1	178.6	-66.2	168.5	-158.9	169.8	0.6	111.2	Q200 L509 S510 R516 A517	Q200-R513 VanDerWaalsContact OE1-CD 3.32Å; L509-R513 WeakPolarHBondContact O-CG 3.22Å; L509-R513 PolarHBondContact O-N 3.06Å; L509-R513 VanDerWaalsContact O-N 3.12Å; S510-R513 PolarHBondContact O-N 2.93Å; R513-R516 PolarHBondContact O-N 3.47Å; R513-A517 PolarHBondContact O-N 3.27Å
514	S	92.4	Very high	90.9	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.028	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-47.9	178.5	175.5	0	0	0	0	112.3	D497 I498 S510 C511 V512 R516 A517 R518	D497-S514 VanDerWaalsContact CG-OG 3.23Å; D497-S514 PolarHBondContact OD1-OG 3.09Å; D497-S514 WeakPolarHBondContact OD2-CA 3.36Å; D497-S514 WeakPolarHBondContact OD2-CB 3.35Å; D497-S514 PolarHBondContact OD2-OG 3.23Å; I498-S514 VanDerWaalsContact CG1-CB 3.5Å; I498-S514 WeakPolarHBondContact CG1-OG 3.33Å; S510-S514 WeakPolarHBondContact O-CB 3.45Å; S510-S514 PolarHBondContact O-N 3.33Å; C511-S514 PolarHBondContact O-N 3.2Å; V512-S514 PolarHBondContact O-N 2.92Å; S514-R516 VanDerWaalsContact C-N 3.35Å; S514-R516 PolarHBondContact O-N 3.32Å; S514-A517 PolarHBondContact O-N 3.4Å; S514-R518 WeakPolarHBondContact O-CG 3.31Å; S514-R518 PolarHBondContact O-N 3.18Å; S514-R518 PolarHBondContact OG-NH1 2.91Å
515	L	90.8	Very high	89.9	Confident	44 Å²	44	40.4 Å²	40.4	23%	0.23	20%	0.203	C	C	.	.	H	α-helix	trans	-59.6	-44.7	177.6	178	60.8	0	0	0	111.6	T416 F417 C511 V512 R518 I519	T416-L515 HydrophobicContact CG2-CD2 4.03Å; F417-L515 HydrophobicContact CD1-CB 4.41Å; F417-L515 HydrophobicContact CD1-CD2 4.1Å; F417-L515 HydrophobicContact CE1-CD2 4.3Å; C511-L515 VanDerWaalsContact O-CB 3.28Å; C511-L515 WeakPolarHBondContact O-CB 3.42Å; C511-L515 PolarHBondContact O-N 3.03Å; V512-L515 PolarHBondContact O-N 2.85Å; L515-R518 PolarHBondContact O-N 2.98Å; L515-I519 HydrophobicContact CD1-CD1 4.23Å; L515-I519 HydrophobicContact CD1-CG1 4.35Å; L515-I519 HydrophobicContact CG-CD1 4.03Å; L515-I519 VanDerWaalsContact O-CG1 3.31Å; L515-I519 WeakPolarHBondContact O-CG1 3.39Å; L515-I519 PolarHBondContact O-N 3.4Å
516	R	89	Confident	88.3	Confident	48 Å²	48	45.8 Å²	45.8	18%	0.181	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-45.4	177.7	-70.7	175.1	66.1	92	10.7	112.1	M198 G202 T323 V512 R513 S514 R518 I519 V520	M198-R516 PolarHBondContact O-NH1 3.32Å; M198-R516 PolarHBondContact O-NH2 2.96Å; G202-R516 VanDerWaalsContact CA-NH1 3.31Å; T323-R516 PolarHBondContact O-NH2 2.85Å; V512-R516 VanDerWaalsContact O-CG 3.27Å; V512-R516 WeakPolarHBondContact O-CG 3.29Å; V512-R516 PolarHBondContact O-N 3.44Å; R513-R516 PolarHBondContact O-N 3.47Å; S514-R516 VanDerWaalsContact C-N 3.35Å; S514-R516 PolarHBondContact O-N 3.32Å; R516-R518 VanDerWaalsContact C-N 3.35Å; R516-R518 PolarHBondContact O-N 3.5Å; R516-I519 PolarHBondContact O-N 3Å; R516-V520 WeakPolarHBondContact O-CG2 3.45Å; R516-V520 PolarHBondContact O-N 3.19Å
517	A	89.8	Confident	86.6	Confident	29 Å²	29	49 Å²	49	24%	0.24	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-43.4	176.9	0	0	0	0	0	111.7	R513 S514 V520 Q521	R513-A517 PolarHBondContact O-N 3.27Å; S514-A517 PolarHBondContact O-N 3.4Å; A517-V520 PolarHBondContact O-N 3.26Å; A517-Q521 WeakPolarHBondContact O-CB 3.31Å; A517-Q521 VanDerWaalsContact O-CG 3.28Å; A517-Q521 WeakPolarHBondContact O-CG 3.07Å; A517-Q521 PolarHBondContact O-N 3.21Å
518	R	87.9	Confident	84.3	Confident	44 Å²	44	55.3 Å²	55.3	17%	0.166	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-41.7	175.2	-73	-165.4	-59.2	-94.7	0.3	112.8	F417 Y495 S514 L515 R516 Q521 S522	F417-R518 PolarHBondContact O-NH2 3.29Å; Y495-R518 VanDerWaalsContact CD1-NH1 3.3Å; S514-R518 WeakPolarHBondContact O-CG 3.31Å; S514-R518 PolarHBondContact O-N 3.18Å; S514-R518 PolarHBondContact OG-NH1 2.91Å; L515-R518 PolarHBondContact O-N 2.98Å; R516-R518 VanDerWaalsContact C-N 3.35Å; R516-R518 PolarHBondContact O-N 3.5Å; R518-Q521 PolarHBondContact O-N 3.2Å; R518-S522 PolarHBondContact O-N 2.73Å
519	I	86.3	Confident	82.3	Confident	78 Å²	78	59.9 Å²	59.9	40%	0.4	31%	0.314	S	S	.	.	H	α-helix	trans	-56.7	-54.5	174.8	-71.9	167.7	0	0	0	108.7	L515 R516 Q521 S522 F523	L515-I519 HydrophobicContact CD1-CD1 4.23Å; L515-I519 HydrophobicContact CD1-CG1 4.35Å; L515-I519 HydrophobicContact CG-CD1 4.03Å; L515-I519 VanDerWaalsContact O-CG1 3.31Å; L515-I519 WeakPolarHBondContact O-CG1 3.39Å; L515-I519 PolarHBondContact O-N 3.4Å; R516-I519 PolarHBondContact O-N 3Å; I519-Q521 VanDerWaalsContact C-N 3.35Å; I519-Q521 PolarHBondContact O-N 3.17Å; I519-S522 WeakPolarHBondContact O-CB 3.3Å; I519-S522 PolarHBondContact O-N 2.71Å; I519-S522 VanDerWaalsContact O-N 3.11Å; I519-S522 PolarHBondContact O-OG 3.37Å; I519-F523 HydrophobicContact CG2-CD2 4.03Å; I519-F523 HydrophobicContact CG2-CE2 3.74Å; I519-F523 WeakPolarHBondContact O-CD2 3.46Å; I519-F523 PolarHBondContact O-N 3.47Å
520	V	88.9	Confident	80.6	Confident	5 Å²	5	60.6 Å²	60.6	3%	0.03	32%	0.317	C	S	.	.	H	α-helix	trans	-55.6	-47.9	177.8	174.7	0	0	0	0	111.9	L211 F324 M327 R516 A517 S522 F523 L524	L211-V520 HydrophobicContact CD1-CG2 4.21Å; F324-V520 HydrophobicContact CB-CG2 4.36Å; F324-V520 HydrophobicContact CD1-CG2 4.15Å; F324-V520 VanDerWaalsContact O-CG1 3.23Å; F324-V520 WeakPolarHBondContact O-CG1 3.24Å; M327-V520 HydrophobicContact CB-CG1 4.11Å; R516-V520 WeakPolarHBondContact O-CG2 3.45Å; R516-V520 PolarHBondContact O-N 3.19Å; A517-V520 PolarHBondContact O-N 3.26Å; V520-S522 VanDerWaalsContact C-N 3.27Å; V520-S522 PolarHBondContact O-N 3.48Å; V520-F523 WeakPolarHBondContact O-CB 3.33Å; V520-F523 PolarHBondContact O-N 2.87Å; V520-L524 HydrophobicContact CG1-CD1 4.35Å; V520-L524 PolarHBondContact O-N 3.35Å
521	Q	87.8	Confident	79.4	Confident	97 Å²	97	65.2 Å²	65.2	45%	0.453	33%	0.333	S	S	.	.	H	α-helix	trans	-58.5	-40.4	178.7	-74.4	172.3	8.3	0	0	111.7	P326 A517 R518 I519 F523 L524 Q525	P326-Q521 HydrophobicContact CG-CG 4.09Å; A517-Q521 WeakPolarHBondContact O-CB 3.31Å; A517-Q521 VanDerWaalsContact O-CG 3.28Å; A517-Q521 WeakPolarHBondContact O-CG 3.07Å; A517-Q521 PolarHBondContact O-N 3.21Å; R518-Q521 PolarHBondContact O-N 3.2Å; I519-Q521 VanDerWaalsContact C-N 3.35Å; I519-Q521 PolarHBondContact O-N 3.17Å; Q521-F523 PolarHBondContact O-N 2.89Å; Q521-L524 PolarHBondContact O-N 3.44Å; Q521-Q525 WeakPolarHBondContact O-CG 3.44Å; Q521-Q525 PolarHBondContact O-N 3.32Å
522	S	81	Confident	78.2	Confident	61 Å²	61	66.9 Å²	66.9	43%	0.427	34%	0.339	S	S	.	.	H	α-helix	trans	-59	-31.7	177.7	79	0	0	0	0	112.6	R518 I519 V520	R518-S522 PolarHBondContact O-N 2.73Å; I519-S522 WeakPolarHBondContact O-CB 3.3Å; I519-S522 PolarHBondContact O-N 2.71Å; I519-S522 VanDerWaalsContact O-N 3.11Å; I519-S522 PolarHBondContact O-OG 3.37Å; V520-S522 VanDerWaalsContact C-N 3.27Å; V520-S522 PolarHBondContact O-N 3.48Å
523	F	80	Confident	77.4	Confident	25 Å²	25	71.9 Å²	71.9	11%	0.11	36%	0.358	C	S	.	.	H	α-helix	trans	-80.7	-21.8	177.3	-78.4	-82.4	0	0	0	114	L211 P221 I519 V520 Q521 Q525	L211-F523 HydrophobicContact CB-CD1 4.19Å; L211-F523 HydrophobicContact CB-CD2 3.73Å; L211-F523 HydrophobicContact CB-CE1 3.7Å; L211-F523 HydrophobicContact CB-CE2 3.36Å; L211-F523 HydrophobicContact CB-CG 4.14Å; L211-F523 HydrophobicContact CB-CZ 3.28Å; L211-F523 HydrophobicContact CD1-CB 3.99Å; L211-F523 HydrophobicContact CD1-CD2 3.43Å; L211-F523 VanDerWaalsContact CD1-CD2 3.43Å; L211-F523 HydrophobicContact CD1-CE2 3.93Å; L211-F523 HydrophobicContact CD1-CG 3.8Å; L211-F523 HydrophobicContact CG-CD2 4.19Å; L211-F523 HydrophobicContact CG-CE2 4.28Å; L211-F523 HydrophobicContact CG-CG 4.48Å; L211-F523 HydrophobicContact CG-CZ 4.49Å; L211-F523 WeakPolarHBondContact O-CZ 3.29Å; P221-F523 HydrophobicContact CB-CB 4.37Å; P221-F523 HydrophobicContact CB-CD1 3.43Å; P221-F523 VanDerWaalsContact CB-CD1 3.43Å; P221-F523 HydrophobicContact CB-CE1 3.99Å; P221-F523 HydrophobicContact CB-CG 4.35Å; P221-F523 HydrophobicContact CG-CD1 3.53Å; P221-F523 HydrophobicContact CG-CE1 4.22Å; I519-F523 HydrophobicContact CG2-CD2 4.03Å; I519-F523 HydrophobicContact CG2-CE2 3.74Å; I519-F523 WeakPolarHBondContact O-CD2 3.46Å; I519-F523 PolarHBondContact O-N 3.47Å; V520-F523 WeakPolarHBondContact O-CB 3.33Å; V520-F523 PolarHBondContact O-N 2.87Å; Q521-F523 PolarHBondContact O-N 2.89Å; F523-Q525 VanDerWaalsContact C-N 3.33Å
524	L	82	Confident	77	Confident	81 Å²	81	68.3 Å²	68.3	42%	0.424	35%	0.347	S	S	.	.	H	α-helix	trans	-80.5	-17.3	175.5	-66.1	176.5	0	0	0	112.5	P326 M327 V520 Q521	P326-L524 HydrophobicContact CG-CD1 4.06Å; M327-L524 HydrophobicContact CB-CD2 4.24Å; M327-L524 HydrophobicContact CE-CD2 3.79Å; M327-L524 HydrophobicContact CG-CD2 4.1Å; V520-L524 HydrophobicContact CG1-CD1 4.35Å; V520-L524 PolarHBondContact O-N 3.35Å; Q521-L524 PolarHBondContact O-N 3.44Å
525	Q	75.4	Confident	76.9	Confident	110 Å²	110	69.3 Å²	69.3	51%	0.514	35%	0.354	S	S	.	.	S	Bend	trans	-79.6	138.2	177.4	-62	-61.7	-38.5	0	0	110.6	Q521 F523 H527	Q521-Q525 WeakPolarHBondContact O-CG 3.44Å; Q521-Q525 PolarHBondContact O-N 3.32Å; F523-Q525 VanDerWaalsContact C-N 3.33Å; Q525-H527 VanDerWaalsContact C-N 3.28Å; Q525-H527 VanDerWaalsContact CB-CE1 3.44Å; Q525-H527 WeakPolarHBondContact CB-CE1 3.09Å; Q525-H527 WeakPolarHBondContact CB-ND1 3.34Å; Q525-H527 PolarHBondContact O-N 2.71Å
526	P	62.4	Low	77	Confident	117 Å²	117	67.2 Å²	67.2	76%	0.76	34%	0.343	S	S	*	.			trans	-73.4	80.8	176.8	30.8	-33.8	0	0	0	109.6
527	H	60.2	Low	77.2	Confident	119 Å²	119	66 Å²	66	55%	0.551	34%	0.339	S	S	*	.			trans	-111.5	117.5	177.7	-75	80.8	0	0	0	111.6	Q525 Q529	Q525-H527 VanDerWaalsContact C-N 3.28Å; Q525-H527 VanDerWaalsContact CB-CE1 3.44Å; Q525-H527 WeakPolarHBondContact CB-CE1 3.09Å; Q525-H527 WeakPolarHBondContact CB-ND1 3.34Å; Q525-H527 PolarHBondContact O-N 2.71Å; H527-Q529 PolarHBondContact O-N 3.35Å
528	P	49	Very low	77.4	Confident	135 Å²	135	67.2 Å²	67.2	88%	0.877	34%	0.341	S	S	*	.			trans	-79.3	5.5	164.5	32.1	-32.3	0	0	0	112.8
529	Q	53.3	Low	77.6	Confident	110 Å²	110	65.7 Å²	65.7	51%	0.514	34%	0.337	S	S	.	.	S	Bend	trans	-83.6	137.2	-175.8	-72.7	-170.2	-14.8	0	0	112.2	H527 R531	H527-Q529 PolarHBondContact O-N 3.35Å; Q529-R531 PolarHBondContact O-N 2.9Å
530	H	61.1	Low	77.8	Confident	22 Å²	22	66.6 Å²	66.6	10%	0.102	34%	0.343	C	S	.	.			trans	-48.1	124.6	169.6	172.8	59.3	0	0	0	110.8	W532 Y542 D547 V549	H530-W532 PolarHBondContact O-N 3.35Å; H530-Y542 AromaticContact CE1-CE2 3.78Å; H530-Y542 PolarHBondContact CE1-OH 3.23Å; H530-Y542 AromaticContact NE2-CE2 3.58Å; H530-Y542 AromaticContact NE2-CZ 3.53Å; H530-Y542 PolarHBondContact NE2-OH 3.38Å; H530-D547 HydrophobicContact CB-CB 4Å; H530-D547 IonicContact CE1-OD2 2.9Å; H530-D547 PolarHBondContact CE1-OD2 2.76Å; H530-D547 IonicContact CG-OD2 3.28Å; H530-D547 WeakPolarHBondContact ND1-CB 3.48Å; H530-D547 IonicContact ND1-OD2 2.75Å; H530-D547 PolarHBondContact ND1-OD2 2.88Å; H530-V549 HydrophobicContact CB-CB 4.34Å; H530-V549 HydrophobicContact CB-CG2 3.74Å
531	R	68.6	Low	78	Confident	111 Å²	111	67.1 Å²	67.1	42%	0.419	35%	0.347	S	S	.	.			trans	-78.5	96.2	173.9	-76.7	-178.5	-86.4	150.9	-10.9	108.7	Q529 K533	Q529-R531 PolarHBondContact O-N 2.9Å; R531-K533 VanDerWaalsContact O-CG 3.32Å; R531-K533 WeakPolarHBondContact O-CG 3.46Å; R531-K533 PolarHBondContact O-N 3.47Å
532	W	70.4	Confident	78.2	Confident	34 Å²	34	64 Å²	64	13%	0.129	33%	0.331	C	S	.	.			trans	-46.6	124.1	175.3	-170.4	-71.5	0	0	0	110.5	E478 H530 V534 V551 P553	E478-W532 HydrophobicContact CB-CE3 4.14Å; E478-W532 HydrophobicContact CB-CH2 4.32Å; E478-W532 HydrophobicContact CB-CZ3 3.57Å; E478-W532 HydrophobicContact CG-CE3 4.38Å; E478-W532 HydrophobicContact CG-CZ3 4.21Å; H530-W532 PolarHBondContact O-N 3.35Å; W532-V534 HydrophobicContact CZ2-CG2 4.37Å; W532-V534 PolarHBondContact NE1-O 2.96Å; W532-V551 HydrophobicContact CD2-CG1 3.89Å; W532-V551 HydrophobicContact CE3-CG1 3.94Å; W532-V551 HydrophobicContact CH2-CG1 3.38Å; W532-V551 HydrophobicContact CZ2-CG1 3.3Å; W532-V551 HydrophobicContact CZ3-CG1 3.75Å; W532-P553 HydrophobicContact CZ2-CB 4.38Å
533	K	76.6	Confident	78.7	Confident	136 Å²	136	62.3 Å²	62.3	59%	0.591	32%	0.316	S	S	*	.			trans	-101	-12.5	-166.9	-62.5	-177.8	178.4	166.7	0	114.9	R531 Y542	R531-K533 VanDerWaalsContact O-CG 3.32Å; R531-K533 WeakPolarHBondContact O-CG 3.46Å; R531-K533 PolarHBondContact O-N 3.47Å; K533-Y542 HydrophobicContact CB-CE1 4.07Å; K533-Y542 HydrophobicContact CB-CE2 4.41Å; K533-Y542 HydrophobicContact CD-CE2 4.13Å; K533-Y542 HydrophobicContact CG-CE2 4.34Å; K533-Y542 PolarHBondContact N-OH 3.2Å
534	V	84.2	Confident	79.1	Confident	25 Å²	25	61.2 Å²	61.2	15%	0.152	31%	0.311	C	S	.	.	S	Bend	trans	-118.3	155	-177.1	-61	0	0	0	0	109.9	W532 D538 Y542 V551 P553	W532-V534 HydrophobicContact CZ2-CG2 4.37Å; W532-V534 PolarHBondContact NE1-O 2.96Å; V534-D538 HydrophobicContact CB-CB 4.09Å; V534-Y542 HydrophobicContact CB-CE1 4.36Å; V534-Y542 HydrophobicContact CG1-CD1 3.84Å; V534-Y542 HydrophobicContact CG1-CE1 3.73Å; V534-Y542 HydrophobicContact CG2-CD1 4.44Å; V534-Y542 HydrophobicContact CG2-CE1 3.89Å; V534-V551 HydrophobicContact CG2-CG1 4.46Å; V534-P553 HydrophobicContact CG2-CB 4.14Å; V534-P553 HydrophobicContact CG2-CG 4.31Å
535	S	90	Very high	79.1	Confident	24 Å²	24	62.6 Å²	62.6	17%	0.168	32%	0.323	C	S	.	.			trans	-73.2	153.7	170.7	-63.6	0	0	0	0	110.7	W537 D538	S535-W537 VanDerWaalsContact CB-CZ2 3.42Å; S535-W537 PolarHBondContact O-N 2.85Å; S535-W537 VanDerWaalsContact OG-CZ2 3.31Å; S535-W537 WeakPolarHBondContact OG-CZ2 3.33Å; S535-D538 PolarHBondContact N-OD2 3.3Å; S535-D538 WeakPolarHBondContact O-CB 3.39Å; S535-D538 PolarHBondContact O-N 3.27Å
536	P	92.3	Very high	79.2	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.006	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.4	176	-30.4	38.9	0	0	0	114.7	A423 F426 V427 A481 A554 G555	A423-P536 HydrophobicContact CB-CG 3.74Å; F426-P536 HydrophobicContact CD1-CB 4.46Å; F426-P536 WeakPolarHBondContact CE1-O 3.49Å; V427-P536 HydrophobicContact CG2-CB 3.88Å; A481-P536 HydrophobicContact CB-CB 3.97Å; A481-P536 HydrophobicContact CB-CG 3.93Å; P536-A554 CarbonylContact O-C 3.59Å; P536-A554 WeakPolarHBondContact O-CB 3.17Å; P536-A554 PolarHBondContact O-N 3.5Å; P536-G555 PolarHBondContact O-N 3.06Å
537	W	94.6	Very high	80.1	Confident	21 Å²	21	57 Å²	57	8%	0.08	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-2	176.6	56.2	75.3	0	0	0	114.7	N125 L129 E419 L422 A423 F426 S535	N125-W537 HydrophobicContact CB-CB 4.28Å; N125-W537 WeakPolarHBondContact CB-O 3.35Å; N125-W537 PolarHBondContact ND2-O 2.67Å; L129-W537 HydrophobicContact CD1-CB 4.3Å; L129-W537 HydrophobicContact CD1-CD2 3.66Å; L129-W537 HydrophobicContact CD1-CE3 4.22Å; L129-W537 HydrophobicContact CD1-CG 3.7Å; L129-W537 HydrophobicContact CD2-CD2 4.48Å; L129-W537 HydrophobicContact CD2-CE3 4.24Å; E419-W537 HydrophobicContact CG-CH2 3.89Å; L422-W537 HydrophobicContact CB-CH2 3.74Å; L422-W537 HydrophobicContact CB-CZ3 3.62Å; A423-W537 HydrophobicContact CB-CZ3 4.26Å; F426-W537 HydrophobicContact CB-CE3 4.14Å; F426-W537 HydrophobicContact CD1-CB 3.83Å; F426-W537 HydrophobicContact CD2-CB 3.69Å; F426-W537 VanDerWaalsContact CE1-CA 3.47Å; F426-W537 HydrophobicContact CE1-CB 3.73Å; F426-W537 HydrophobicContact CE2-CB 3.56Å; F426-W537 HydrophobicContact CG-CB 3.81Å; F426-W537 HydrophobicContact CG-CE3 4.37Å; F426-W537 HydrophobicContact CZ-CB 3.59Å; S535-W537 VanDerWaalsContact CB-CZ2 3.42Å; S535-W537 PolarHBondContact O-N 2.85Å; S535-W537 VanDerWaalsContact OG-CZ2 3.31Å; S535-W537 WeakPolarHBondContact OG-CZ2 3.33Å
538	D	93	Very high	81.4	Confident	56 Å²	56	53.3 Å²	53.3	30%	0.299	28%	0.277	S	S	.	.			trans	-70.6	162	174	-71.1	-21.3	0	0	0	111.3	V534 S535 P553 G555 L556	V534-D538 HydrophobicContact CB-CB 4.09Å; S535-D538 PolarHBondContact N-OD2 3.3Å; S535-D538 WeakPolarHBondContact O-CB 3.39Å; S535-D538 PolarHBondContact O-N 3.27Å; D538-P553 WeakPolarHBondContact O-CB 3.43Å; D538-P553 VanDerWaalsContact O-CG 3.24Å; D538-P553 WeakPolarHBondContact O-CG 3.44Å; D538-G555 CarbonylContact O-C 3.53Å; D538-G555 WeakPolarHBondContact O-CA 3.48Å; D538-L556 PolarHBondContact O-N 2.98Å
539	V	92.8	Very high	83.4	Confident	11 Å²	11	46.9 Å²	46.9	7%	0.067	24%	0.235	C	C	.	.			trans	-111.3	2.2	-174.4	-61.5	0	0	0	0	113.2	F118 L121 A122 L556	F118-V539 HydrophobicContact CB-CG2 4.23Å; F118-V539 HydrophobicContact CD1-CB 4.16Å; F118-V539 HydrophobicContact CD1-CG2 3.96Å; L121-V539 HydrophobicContact CB-CG1 4.04Å; L121-V539 HydrophobicContact CD2-CG1 3.86Å; L121-V539 HydrophobicContact CG-CG1 3.65Å; A122-V539 HydrophobicContact CB-CG1 4.15Å; A122-V539 HydrophobicContact CB-CG2 4.13Å; V539-L556 WeakPolarHBondContact O-CD1 3.11Å
540	N	90.4	Very high	85.3	Confident	98 Å²	98	41.6 Å²	41.6	52%	0.524	21%	0.211	S	C	.	.			trans	-103.1	124.2	-177.5	-62.4	-21.7	0	0	0	109.9	P553	N540-P553 WeakPolarHBondContact O-CD 3.25Å; N540-P553 VanDerWaalsContact O-CG 3.32Å; N540-P553 WeakPolarHBondContact O-CG 3.08Å
541	A	93.4	Very high	86.9	Confident	15 Å²	15	40.6 Å²	40.6	12%	0.124	21%	0.206	C	C	.	.			trans	-81.5	164.7	166.2	0	0	0	0	0	109.9	V551 F552 L556 E582	A541-V551 VanDerWaalsContact CA-O 3.25Å; A541-V551 WeakPolarHBondContact CA-O 3.43Å; A541-V551 VanDerWaalsContact CB-O 3.32Å; A541-V551 WeakPolarHBondContact CB-O 3.4Å; A541-F552 HydrophobicContact CB-CD1 3.59Å; A541-F552 HydrophobicContact CB-CE1 3.83Å; A541-F552 HydrophobicContact CB-CG 4.47Å; A541-L556 HydrophobicContact CB-CD2 3.99Å; A541-E582 HydrophobicContact CB-CG 3.72Å
542	Y	91.8	Very high	88.1	Confident	32 Å²	32	35.4 Å²	35.4	13%	0.125	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	159.7	171.7	67.7	-87.8	0	0	0	112.3	H530 K533 V534 V551 E582	H530-Y542 AromaticContact CE1-CE2 3.78Å; H530-Y542 PolarHBondContact CE1-OH 3.23Å; H530-Y542 AromaticContact NE2-CE2 3.58Å; H530-Y542 AromaticContact NE2-CZ 3.53Å; H530-Y542 PolarHBondContact NE2-OH 3.38Å; K533-Y542 HydrophobicContact CB-CE1 4.07Å; K533-Y542 HydrophobicContact CB-CE2 4.41Å; K533-Y542 HydrophobicContact CD-CE2 4.13Å; K533-Y542 HydrophobicContact CG-CE2 4.34Å; K533-Y542 PolarHBondContact N-OH 3.2Å; V534-Y542 HydrophobicContact CB-CE1 4.36Å; V534-Y542 HydrophobicContact CG1-CD1 3.84Å; V534-Y542 HydrophobicContact CG1-CE1 3.73Å; V534-Y542 HydrophobicContact CG2-CD1 4.44Å; V534-Y542 HydrophobicContact CG2-CE1 3.89Å; Y542-V551 HydrophobicContact CD1-CB 4.09Å; Y542-V551 HydrophobicContact CE1-CB 3.65Å; Y542-V551 HydrophobicContact CE1-CG1 3.88Å; Y542-V551 HydrophobicContact CE1-CG2 3.96Å; Y542-V551 HydrophobicContact CE2-CB 4.25Å; Y542-V551 HydrophobicContact CE2-CG2 3.81Å; Y542-V551 VanDerWaalsContact CZ-CG2 3.47Å; Y542-V551 PolarHBondContact N-O 3.1Å; Y542-V551 VanDerWaalsContact N-O 3.17Å; Y542-V551 PolarHBondContact O-N 3.46Å; Y542-V551 WeakPolarHBondContact OH-CG2 3.48Å; Y542-E582 VanDerWaalsContact C-OE2 3.26Å; Y542-E582 WeakPolarHBondContact CA-OE2 3.3Å; Y542-E582 PolarHBondContact N-OE2 3.4Å
543	Y	91.9	Very high	89.3	Confident	25 Å²	25	33.8 Å²	33.8	10%	0.098	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.2	164.4	172.9	-115.1	0	0	0	111.8	L475 V545 H548 V549 E582 H585 I586	L475-Y543 HydrophobicContact CD1-CD2 4.18Å; L475-Y543 HydrophobicContact CD1-CE2 3.76Å; Y543-V545 HydrophobicContact CD1-CG2 4.11Å; Y543-V545 HydrophobicContact CE1-CB 4.41Å; Y543-V545 HydrophobicContact CE1-CG2 3.82Å; Y543-H548 AromaticContact CZ-ND1 3.89Å; Y543-H548 PolarHBondContact OH-CE1 3.25Å; Y543-H548 PolarHBondContact OH-ND1 2.92Å; Y543-V549 WeakPolarHBondContact CD2-O 3.32Å; Y543-E582 PolarHBondContact N-OE2 3.47Å; Y543-H585 HydrophobicContact CD1-CB 3.76Å; Y543-H585 HydrophobicContact CG-CB 4.11Å; Y543-I586 HydrophobicContact CD1-CG1 4.41Å; Y543-I586 HydrophobicContact CD2-CG1 4.04Å; Y543-I586 HydrophobicContact CE1-CB 4.44Å; Y543-I586 HydrophobicContact CE1-CG1 4.11Å; Y543-I586 HydrophobicContact CE2-CG1 3.73Å; Y543-I586 HydrophobicContact CG-CG1 4.37Å
544	S	87.2	Confident	90.2	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	110.3	172.7	-162.3	0	0	0	0	110.6	S546 D547 H548 V549	S544-S546 PolarHBondContact O-N 3.29Å; S544-S546 PolarHBondContact OG-OG 2.84Å; S544-D547 PolarHBondContact OG-OD2 3.48Å; S544-H548 WeakPolarHBondContact O-CA 3.34Å; S544-H548 PolarHBondContact O-N 3.29Å; S544-V549 PolarHBondContact N-O 3.19Å; S544-V549 PolarHBondContact O-N 2.97Å
545	V	83.3	Confident	90.7	Very high	111 Å²	111	26.1 Å²	26.1	67%	0.673	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-42.8	176.9	-179.7	0	0	0	0	111.6	Y543 D547	Y543-V545 HydrophobicContact CD1-CG2 4.11Å; Y543-V545 HydrophobicContact CE1-CB 4.41Å; Y543-V545 HydrophobicContact CE1-CG2 3.82Å; V545-D547 PolarHBondContact O-N 3.47Å
546	S	76.9	Confident	91	Very high	53 Å²	53	25.3 Å²	25.3	37%	0.371	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-36.4	-175.4	52	0	0	0	0	113.5	S544	S544-S546 PolarHBondContact O-N 3.29Å; S544-S546 PolarHBondContact OG-OG 2.84Å
547	D	80.7	Confident	91.2	Very high	57 Å²	57	25.4 Å²	25.4	31%	0.305	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-6.8	-174.5	-46.2	-64.7	0	0	0	112.3	H530 S544 V545 V549	H530-D547 HydrophobicContact CB-CB 4Å; H530-D547 IonicContact CE1-OD2 2.9Å; H530-D547 PolarHBondContact CE1-OD2 2.76Å; H530-D547 IonicContact CG-OD2 3.28Å; H530-D547 WeakPolarHBondContact ND1-CB 3.48Å; H530-D547 IonicContact ND1-OD2 2.75Å; H530-D547 PolarHBondContact ND1-OD2 2.88Å; S544-D547 PolarHBondContact OG-OD2 3.48Å; V545-D547 PolarHBondContact O-N 3.47Å; D547-V549 VanDerWaalsContact C-N 3.31Å; D547-V549 HydrophobicContact CB-CG2 3.84Å; D547-V549 VanDerWaalsContact O-CG2 3.22Å; D547-V549 WeakPolarHBondContact O-CG2 3.43Å; D547-V549 PolarHBondContact O-N 3.11Å
548	H	88.6	Confident	91.1	Very high	40 Å²	40	24.8 Å²	24.8	19%	0.185	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	47.3	-175.2	-162.9	62.5	0	0	0	112.9	K471 L475 Q476 Y543 S544	K471-H548 VanDerWaalsContact CG-CE1 3.46Å; K471-H548 WeakPolarHBondContact CG-CE1 3.41Å; K471-H548 PolarHBondContact O-CE1 3.43Å; K471-H548 PolarHBondContact O-NE2 2.89Å; L475-H548 WeakPolarHBondContact CA-NE2 3.06Å; Q476-H548 PolarHBondContact N-O 3.19Å; Y543-H548 AromaticContact CZ-ND1 3.89Å; Y543-H548 PolarHBondContact OH-CE1 3.25Å; Y543-H548 PolarHBondContact OH-ND1 2.92Å; S544-H548 WeakPolarHBondContact O-CA 3.34Å; S544-H548 PolarHBondContact O-N 3.29Å
549	V	89.9	Confident	91.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.6	-177.2	-176.9	0	0	0	0	110.3	Q476 E478 H530 Y543 S544 D547 V551	Q476-V549 HydrophobicContact CB-CB 4.3Å; Q476-V549 HydrophobicContact CB-CG1 4.25Å; Q476-V549 HydrophobicContact CB-CG2 3.75Å; Q476-V549 HydrophobicContact CG-CG2 4.4Å; Q476-V549 WeakPolarHBondContact O-CA 3.45Å; E478-V549 HydrophobicContact CB-CG1 4.19Å; E478-V549 HydrophobicContact CG-CG1 3.63Å; H530-V549 HydrophobicContact CB-CB 4.34Å; H530-V549 HydrophobicContact CB-CG2 3.74Å; Y543-V549 WeakPolarHBondContact CD2-O 3.32Å; S544-V549 PolarHBondContact N-O 3.19Å; S544-V549 PolarHBondContact O-N 2.97Å; D547-V549 VanDerWaalsContact C-N 3.31Å; D547-V549 HydrophobicContact CB-CG2 3.84Å; D547-V549 VanDerWaalsContact O-CG2 3.22Å; D547-V549 WeakPolarHBondContact O-CG2 3.43Å; D547-V549 PolarHBondContact O-N 3.11Å; V549-V551 HydrophobicContact CG1-CG2 4.03Å
550	V	93.7	Very high	91.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	135.9	166.8	67.9	0	0	0	0	110.4	F443 L475 Q476 V477 E478 F552 E582	F443-V550 HydrophobicContact CE2-CG1 4.07Å; F443-V550 HydrophobicContact CZ-CG1 4.21Å; L475-V550 HydrophobicContact CD1-CB 4.47Å; L475-V550 HydrophobicContact CD1-CG1 4.48Å; L475-V550 HydrophobicContact CD2-CB 4.34Å; L475-V550 HydrophobicContact CD2-CG1 3.73Å; L475-V550 HydrophobicContact CG-CG1 4.18Å; Q476-V550 PolarHBondContact O-N 3.06Å; V477-V550 HydrophobicContact CB-CG1 4.26Å; V477-V550 HydrophobicContact CG1-CG1 4.09Å; V477-V550 HydrophobicContact CG2-CG1 3.92Å; E478-V550 PolarHBondContact N-O 3.48Å; V550-F552 HydrophobicContact CB-CE2 4.4Å; V550-F552 HydrophobicContact CG1-CE2 3.96Å; V550-F552 HydrophobicContact CG2-CD2 4.41Å; V550-F552 HydrophobicContact CG2-CE2 3.57Å; V550-F552 HydrophobicContact CG2-CZ 3.67Å; V550-E582 HydrophobicContact CG2-CB 3.85Å
551	V	93.5	Very high	91.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.5	-172.9	-176.8	0	0	0	0	110.8	E478 W532 V534 A541 Y542 V549	E478-V551 HydrophobicContact CB-CB 4.41Å; E478-V551 HydrophobicContact CB-CG1 4.36Å; E478-V551 HydrophobicContact CB-CG2 3.98Å; W532-V551 HydrophobicContact CD2-CG1 3.89Å; W532-V551 HydrophobicContact CE3-CG1 3.94Å; W532-V551 HydrophobicContact CH2-CG1 3.38Å; W532-V551 HydrophobicContact CZ2-CG1 3.3Å; W532-V551 HydrophobicContact CZ3-CG1 3.75Å; V534-V551 HydrophobicContact CG2-CG1 4.46Å; A541-V551 VanDerWaalsContact CA-O 3.25Å; A541-V551 WeakPolarHBondContact CA-O 3.43Å; A541-V551 VanDerWaalsContact CB-O 3.32Å; A541-V551 WeakPolarHBondContact CB-O 3.4Å; Y542-V551 HydrophobicContact CD1-CB 4.09Å; Y542-V551 HydrophobicContact CE1-CB 3.65Å; Y542-V551 HydrophobicContact CE1-CG1 3.88Å; Y542-V551 HydrophobicContact CE1-CG2 3.96Å; Y542-V551 HydrophobicContact CE2-CB 4.25Å; Y542-V551 HydrophobicContact CE2-CG2 3.81Å; Y542-V551 VanDerWaalsContact CZ-CG2 3.47Å; Y542-V551 PolarHBondContact N-O 3.1Å; Y542-V551 VanDerWaalsContact N-O 3.17Å; Y542-V551 PolarHBondContact O-N 3.46Å; Y542-V551 WeakPolarHBondContact OH-CG2 3.48Å; V549-V551 HydrophobicContact CG1-CG2 4.03Å
552	F	95.3	Very high	91.4	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.009	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	103.8	173.2	-62.7	-79.9	0	0	0	110	F443 E478 M479 G480 A541 V550 L556 L557 M579 E582	F443-F552 AromaticContact CD2-CE2 3.77Å; F443-F552 HydrophobicContact CD2-CE2 3.77Å; F443-F552 HydrophobicContact CD2-CZ 4.37Å; F443-F552 AromaticContact CE2-CE2 3.83Å; F443-F552 HydrophobicContact CE2-CE2 3.83Å; F443-F552 HydrophobicContact CE2-CZ 4.42Å; E478-F552 PolarHBondContact O-N 3.41Å; M479-F552 HydrophobicContact CE-CD2 4.05Å; M479-F552 HydrophobicContact SD-CB 3.98Å; M479-F552 HydrophobicContact SD-CD2 4.35Å; M479-F552 HydrophobicContact SD-CG 4.45Å; G480-F552 WeakPolarHBondContact CA-O 3.37Å; G480-F552 PolarHBondContact N-O 3.45Å; A541-F552 HydrophobicContact CB-CD1 3.59Å; A541-F552 HydrophobicContact CB-CE1 3.83Å; A541-F552 HydrophobicContact CB-CG 4.47Å; V550-F552 HydrophobicContact CB-CE2 4.4Å; V550-F552 HydrophobicContact CG1-CE2 3.96Å; V550-F552 HydrophobicContact CG2-CD2 4.41Å; V550-F552 HydrophobicContact CG2-CE2 3.57Å; V550-F552 HydrophobicContact CG2-CZ 3.67Å; F552-L556 HydrophobicContact CD1-CD2 4.46Å; F552-L557 HydrophobicContact CB-CD1 4.37Å; F552-M579 HydrophobicContact CD1-CG 4.12Å; F552-M579 HydrophobicContact CE1-CB 4.13Å; F552-M579 HydrophobicContact CE1-CG 3.64Å; F552-M579 HydrophobicContact CE2-CG 4.26Å; F552-M579 HydrophobicContact CZ-CB 3.97Å; F552-M579 HydrophobicContact CZ-CG 3.73Å; F552-E582 HydrophobicContact CE1-CB 4.07Å; F552-E582 HydrophobicContact CE1-CG 3.76Å; F552-E582 HydrophobicContact CZ-CB 3.88Å; F552-E582 HydrophobicContact CZ-CG 4.1Å
553	P	95.2	Very high	91.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	153.2	-175.9	28	-35	0	0	0	112.9	G480 W532 V534 D538 N540 G555 L556 L557	G480-P553 CarbonylContact O-C 3.3Å; G480-P553 WeakPolarHBondContact O-CA 3.36Å; W532-P553 HydrophobicContact CZ2-CB 4.38Å; V534-P553 HydrophobicContact CG2-CB 4.14Å; V534-P553 HydrophobicContact CG2-CG 4.31Å; D538-P553 WeakPolarHBondContact O-CB 3.43Å; D538-P553 VanDerWaalsContact O-CG 3.24Å; D538-P553 WeakPolarHBondContact O-CG 3.44Å; N540-P553 WeakPolarHBondContact O-CD 3.25Å; N540-P553 VanDerWaalsContact O-CG 3.32Å; N540-P553 WeakPolarHBondContact O-CG 3.08Å; P553-G555 PolarHBondContact O-N 3.34Å; P553-L556 HydrophobicContact CG-CB 4.11Å; P553-L556 WeakPolarHBondContact O-CB 3.46Å; P553-L556 PolarHBondContact O-N 3.05Å; P553-L556 VanDerWaalsContact O-N 3.09Å; P553-L557 PolarHBondContact O-N 2.93Å
554	A	95.4	Very high	91.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.2	178.3	0	0	0	0	0	111.4	F426 F431 G480 P536 L556 L557 Q558	F426-A554 HydrophobicContact CE1-CB 4.11Å; F431-A554 HydrophobicContact CB-CB 3.6Å; F431-A554 HydrophobicContact CD1-CB 4.3Å; F431-A554 HydrophobicContact CD2-CB 4.02Å; F431-A554 HydrophobicContact CG-CB 3.72Å; G480-A554 WeakPolarHBondContact O-CB 3.31Å; G480-A554 PolarHBondContact O-N 2.82Å; P536-A554 CarbonylContact O-C 3.59Å; P536-A554 WeakPolarHBondContact O-CB 3.17Å; P536-A554 PolarHBondContact O-N 3.5Å; A554-L556 VanDerWaalsContact C-N 3.29Å; A554-L556 PolarHBondContact O-N 3.49Å; A554-L557 PolarHBondContact O-N 2.72Å; A554-Q558 PolarHBondContact O-NE2 3.45Å
555	G	95.6	Very high	92.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-36.2	176.4	0	0	0	0	0	113.2	L121 N125 P536 D538 P553 Q558	L121-G555 VanDerWaalsContact CD2-O 3.31Å; L121-G555 WeakPolarHBondContact CD2-O 3.1Å; N125-G555 WeakPolarHBondContact ND2-CA 3.28Å; N125-G555 PolarHBondContact ND2-O 3.25Å; P536-G555 PolarHBondContact O-N 3.06Å; D538-G555 CarbonylContact O-C 3.53Å; D538-G555 WeakPolarHBondContact O-CA 3.48Å; P553-G555 PolarHBondContact O-N 3.34Å; G555-Q558 PolarHBondContact O-NE2 3.03Å; G555-Q558 VanDerWaalsContact O-NE2 3.14Å
556	L	95.7	Very high	92.7	Very high	7 Å²	7	18 Å²	18	4%	0.037	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-34.4	175.7	175	60.5	0	0	0	112.8	F118 D538 V539 A541 F552 P553 A554 Q558 F561 I578	F118-L556 HydrophobicContact CE1-CD1 4.14Å; D538-L556 PolarHBondContact O-N 2.98Å; V539-L556 WeakPolarHBondContact O-CD1 3.11Å; A541-L556 HydrophobicContact CB-CD2 3.99Å; F552-L556 HydrophobicContact CD1-CD2 4.46Å; P553-L556 HydrophobicContact CG-CB 4.11Å; P553-L556 WeakPolarHBondContact O-CB 3.46Å; P553-L556 PolarHBondContact O-N 3.05Å; P553-L556 VanDerWaalsContact O-N 3.09Å; A554-L556 VanDerWaalsContact C-N 3.29Å; A554-L556 PolarHBondContact O-N 3.49Å; L556-Q558 PolarHBondContact O-N 3.48Å; L556-F561 HydrophobicContact CD1-CB 4.34Å; L556-F561 HydrophobicContact CD1-CD1 3.75Å; L556-F561 HydrophobicContact CD1-CE1 4.18Å; L556-F561 HydrophobicContact CD1-CG 4.03Å; L556-I578 HydrophobicContact CD1-CD1 4.29Å; L556-I578 HydrophobicContact CD2-CG2 4.21Å
557	L	95.8	Very high	93.6	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.021	9%	0.092	C	C	.	.	S	Bend	trans	-80.3	52.9	-173	-62.6	173.1	0	0	0	112.8	F431 A439 M479 F552 P553 A554 F562 M579	F431-L557 HydrophobicContact CD2-CB 4.2Å; F431-L557 HydrophobicContact CD2-CD1 4.39Å; F431-L557 HydrophobicContact CE2-CB 3.79Å; F431-L557 HydrophobicContact CE2-CD1 3.39Å; F431-L557 HydrophobicContact CE2-CG 4.24Å; F431-L557 HydrophobicContact CZ-CD1 3.72Å; A439-L557 HydrophobicContact CB-CD1 4.06Å; A439-L557 HydrophobicContact CB-CD2 4.21Å; M479-L557 HydrophobicContact CG-CD1 4.07Å; M479-L557 HydrophobicContact SD-CD1 3.57Å; M479-L557 VanDerWaalsContact SD-CD1 3.57Å; F552-L557 HydrophobicContact CB-CD1 4.37Å; P553-L557 PolarHBondContact O-N 2.93Å; A554-L557 PolarHBondContact O-N 2.72Å; L557-F562 HydrophobicContact CB-CD1 4.3Å; L557-M579 HydrophobicContact CD2-CE 3.99Å
558	Q	93.6	Very high	94.4	Very high	8 Å²	8	15.9 Å²	15.9	4%	0.037	9%	0.089	C	C	.	.	S	Bend	trans	-143	163.2	-174.5	-69	-175.4	74.7	0	0	112.2	L121 N125 A554 G555 L556 F561 F562	L121-Q558 HydrophobicContact CD1-CB 4.05Å; N125-Q558 PolarHBondContact OD1-NE2 3.12Å; A554-Q558 PolarHBondContact O-NE2 3.45Å; G555-Q558 PolarHBondContact O-NE2 3.03Å; G555-Q558 VanDerWaalsContact O-NE2 3.14Å; L556-Q558 PolarHBondContact O-N 3.48Å; Q558-F561 WeakPolarHBondContact O-CA 3.05Å; Q558-F561 WeakPolarHBondContact O-CB 3.45Å; Q558-F561 PolarHBondContact O-N 2.88Å; Q558-F562 CarbonylContact C-O 3.44Å; Q558-F562 VanDerWaalsContact CA-O 3.29Å; Q558-F562 WeakPolarHBondContact CA-O 3.41Å; Q558-F562 PolarHBondContact O-N 3.39Å
559	P	92.8	Very high	94.8	Very high	33 Å²	33	14 Å²	14	21%	0.214	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	134.9	170	-33.5	39.6	0	0	0	113.4	V81 F562 H563 Y566	V81-P559 HydrophobicContact CG1-CG 4.07Å; P559-F562 VanDerWaalsContact CD-O 3.31Å; P559-F562 WeakPolarHBondContact CD-O 3.24Å; P559-F562 VanDerWaalsContact N-O 3.1Å; P559-H563 HydrophobicContact CG-CB 4.19Å; P559-Y566 WeakPolarHBondContact CB-OH 3.38Å
560	P	91.6	Very high	95.1	Very high	26 Å²	26	14 Å²	14	17%	0.169	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.8	-4.6	5.1	34.5	-36.5	0	0	0	115.7	L85 Y566	L85-P560 HydrophobicContact CD1-CB 3.72Å; P560-Y566 WeakPolarHBondContact O-CE2 3.32Å
561	F	94.3	Very high	95.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-39.4	-173	-68.2	-104.1	0	0	0	113.1	F118 L121 L556 Q558 A574 A575 I578 V680	F118-F561 HydrophobicContact CD1-CE1 4.23Å; F118-F561 HydrophobicContact CD1-CZ 4.07Å; F118-F561 HydrophobicContact CD2-CE1 4.1Å; F118-F561 AromaticContact CD2-CZ 3.81Å; F118-F561 HydrophobicContact CD2-CZ 3.81Å; F118-F561 AromaticContact CE1-CE1 3.82Å; F118-F561 HydrophobicContact CE1-CE1 3.82Å; F118-F561 HydrophobicContact CE1-CZ 4.13Å; F118-F561 AromaticContact CE2-CE1 3.67Å; F118-F561 HydrophobicContact CE2-CE1 3.67Å; F118-F561 AromaticContact CE2-CZ 3.88Å; F118-F561 HydrophobicContact CE2-CZ 3.88Å; F118-F561 HydrophobicContact CG-CE1 4.37Å; F118-F561 AromaticContact CG-CZ 3.92Å; F118-F561 HydrophobicContact CG-CZ 3.92Å; F118-F561 AromaticContact CZ-CE1 3.52Å; F118-F561 HydrophobicContact CZ-CE1 3.52Å; F118-F561 HydrophobicContact CZ-CZ 4.05Å; L121-F561 HydrophobicContact CB-CE2 4.28Å; L121-F561 HydrophobicContact CD2-CD2 3.55Å; L121-F561 HydrophobicContact CD2-CE2 3.78Å; L121-F561 HydrophobicContact CD2-CG 4.38Å; L556-F561 HydrophobicContact CD1-CB 4.34Å; L556-F561 HydrophobicContact CD1-CD1 3.75Å; L556-F561 HydrophobicContact CD1-CE1 4.18Å; L556-F561 HydrophobicContact CD1-CG 4.03Å; Q558-F561 WeakPolarHBondContact O-CA 3.05Å; Q558-F561 WeakPolarHBondContact O-CB 3.45Å; Q558-F561 PolarHBondContact O-N 2.88Å; F561-A574 VanDerWaalsContact O-CB 3.32Å; F561-A574 WeakPolarHBondContact O-CB 3.35Å; F561-A575 WeakPolarHBondContact O-CB 3.34Å; F561-A575 PolarHBondContact O-N 2.88Å; F561-I578 HydrophobicContact CD1-CD1 3.61Å; F561-I578 HydrophobicContact CE1-CD1 3.92Å; F561-V680 HydrophobicContact CD1-CB 3.86Å; F561-V680 HydrophobicContact CD1-CG1 3.41Å; F561-V680 VanDerWaalsContact CD1-CG1 3.41Å; F561-V680 HydrophobicContact CE1-CB 3.53Å; F561-V680 HydrophobicContact CE1-CG1 3.6Å; F561-V680 HydrophobicContact CG-CG1 3.97Å; F561-V680 HydrophobicContact CZ-CB 4.21Å; F561-V680 HydrophobicContact CZ-CG1 4.27Å
562	F	96.9	Very high	95.6	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.009	9%	0.086	C	C	.	.			trans	-150.8	137.3	-177.1	-176.4	-104.3	0	0	0	112.7	T435 A438 A439 L442 L557 Q558 P559 P564 N571 A575	T435-F562 HydrophobicContact CG2-CD1 3.99Å; T435-F562 HydrophobicContact CG2-CE1 3.75Å; A438-F562 HydrophobicContact CB-CE1 4.34Å; A438-F562 HydrophobicContact CB-CZ 3.72Å; A439-F562 HydrophobicContact CB-CE1 3.96Å; A439-F562 HydrophobicContact CB-CZ 3.96Å; L442-F562 HydrophobicContact CD2-CD2 4.08Å; L442-F562 HydrophobicContact CD2-CE2 3.95Å; L557-F562 HydrophobicContact CB-CD1 4.3Å; Q558-F562 CarbonylContact C-O 3.44Å; Q558-F562 VanDerWaalsContact CA-O 3.29Å; Q558-F562 WeakPolarHBondContact CA-O 3.41Å; Q558-F562 PolarHBondContact O-N 3.39Å; P559-F562 VanDerWaalsContact CD-O 3.31Å; P559-F562 WeakPolarHBondContact CD-O 3.24Å; P559-F562 VanDerWaalsContact N-O 3.1Å; F562-P564 HydrophobicContact CE1-CG 4.23Å; F562-N571 HydrophobicContact CD2-CB 4.3Å; F562-N571 WeakPolarHBondContact CD2-OD1 3.09Å; F562-N571 HydrophobicContact CE2-CB 4.34Å; F562-A575 HydrophobicContact CB-CB 3.96Å; F562-A575 HydrophobicContact CD2-CB 4.01Å; F562-A575 HydrophobicContact CG-CB 4.39Å
563	H	96.4	Very high	95.7	Very high	54 Å²	54	15.1 Å²	15.1	25%	0.25	9%	0.086	C	C	.	.			trans	-154.9	137.5	163.7	-169.4	-100	0	0	0	110.3	V81 P559 G565 Y566 N571	V81-H563 HydrophobicContact CG1-CB 3.93Å; V81-H563 VanDerWaalsContact CG1-CG 3.48Å; V81-H563 WeakPolarHBondContact CG1-ND1 3.33Å; P559-H563 HydrophobicContact CG-CB 4.19Å; H563-G565 PolarHBondContact ND1-N 3.29Å; H563-G565 PolarHBondContact O-N 3.26Å; H563-G565 VanDerWaalsContact O-N 3.08Å; H563-Y566 HydrophobicContact CB-CD1 3.89Å; H563-Y566 HydrophobicContact CB-CD2 3.63Å; H563-Y566 HydrophobicContact CB-CE1 3.94Å; H563-Y566 HydrophobicContact CB-CE2 3.67Å; H563-Y566 HydrophobicContact CB-CG 3.73Å; H563-Y566 WeakPolarHBondContact O-CB 3.38Å; H563-Y566 PolarHBondContact O-N 3.42Å; H563-N571 PolarHBondContact N-OD1 3.11Å; H563-N571 VanDerWaalsContact N-OD1 3.15Å; H563-N571 PolarHBondContact O-ND2 3.5Å; H563-N571 PolarHBondContact O-OD1 3.27Å
564	P	95.1	Very high	95.8	Very high	51 Å²	51	15.1 Å²	15.1	33%	0.331	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.6	179.5	-26.7	35.6	0	0	0	114.2	A438 F562	A438-P564 HydrophobicContact CB-CB 3.93Å; A438-P564 HydrophobicContact CB-CG 3.91Å; F562-P564 HydrophobicContact CE1-CG 4.23Å
565	G	94.1	Very high	95.9	Very high	31 Å²	31	15.4 Å²	15.4	32%	0.32	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.2	178.4	0	0	0	0	0	115.7	C82 H563	C82-G565 PolarHBondContact SG-O 2.73Å; H563-G565 PolarHBondContact ND1-N 3.29Å; H563-G565 PolarHBondContact O-N 3.26Å; H563-G565 VanDerWaalsContact O-N 3.08Å
566	Y	96.3	Very high	96	Very high	11 Å²	11	15.4 Å²	15.4	4%	0.043	9%	0.088	C	C	.	.	S	Bend	trans	-69.9	154.5	177.3	-74.4	-20.2	0	0	0	112.8	V81 L85 P559 P560 H563 R568 V570	V81-Y566 HydrophobicContact CB-CE1 4.37Å; V81-Y566 HydrophobicContact CG1-CD1 3.96Å; V81-Y566 HydrophobicContact CG1-CE1 3.28Å; V81-Y566 WeakPolarHBondContact O-CE1 3.4Å; L85-Y566 HydrophobicContact CB-CE1 3.73Å; L85-Y566 HydrophobicContact CD2-CD1 3.85Å; L85-Y566 HydrophobicContact CD2-CD2 4.13Å; L85-Y566 HydrophobicContact CD2-CE1 3.61Å; L85-Y566 HydrophobicContact CD2-CE2 3.92Å; L85-Y566 HydrophobicContact CD2-CG 4.11Å; L85-Y566 HydrophobicContact CG-CE1 4.19Å; P559-Y566 WeakPolarHBondContact CB-OH 3.38Å; P560-Y566 WeakPolarHBondContact O-CE2 3.32Å; H563-Y566 HydrophobicContact CB-CD1 3.89Å; H563-Y566 HydrophobicContact CB-CD2 3.63Å; H563-Y566 HydrophobicContact CB-CE1 3.94Å; H563-Y566 HydrophobicContact CB-CE2 3.67Å; H563-Y566 HydrophobicContact CB-CG 3.73Å; H563-Y566 WeakPolarHBondContact O-CB 3.38Å; H563-Y566 PolarHBondContact O-N 3.42Å; Y566-R568 PolarHBondContact O-N 3.05Å; Y566-V570 HydrophobicContact CD2-CG1 3.66Å; Y566-V570 HydrophobicContact CE2-CG1 4.23Å; Y566-V570 HydrophobicContact CG-CG1 4.11Å
567	P	96	Very high	96.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.088	C	C	.	.			trans	-49.2	140	163.5	-27.6	36.6	0	0	0	111.1	C77 A569 V570 N571 T660 L662	C77-P567 HydrophobicContact CB-CG 4.32Å; P567-A569 PolarHBondContact O-N 3.24Å; P567-V570 HydrophobicContact CB-CG2 4.14Å; P567-V570 HydrophobicContact CG-CG2 4.28Å; P567-V570 WeakPolarHBondContact O-CB 3.46Å; P567-V570 PolarHBondContact O-N 2.78Å; P567-N571 PolarHBondContact O-N 3.43Å; P567-T660 WeakPolarHBondContact CA-OG1 3.44Å; P567-T660 WeakPolarHBondContact CB-O 3.44Å; P567-L662 HydrophobicContact CG-CD2 4.11Å; P567-L662 HydrophobicContact CG-CG 4.27Å
568	R	96	Very high	96.2	Very high	64 Å²	64	15.9 Å²	15.9	24%	0.242	9%	0.091	C	C	.	.	H	α-helix	trans	-56.8	-41.1	-179.3	-70.7	-172.6	-73.8	-107.1	6.8	111.3	Y566 V570 N571 F572 Y649 H657 E659	Y566-R568 PolarHBondContact O-N 3.05Å; R568-V570 PolarHBondContact O-N 2.98Å; R568-N571 PolarHBondContact O-N 2.94Å; R568-N571 VanDerWaalsContact O-N 3.17Å; R568-F572 HydrophobicContact CB-CD2 4.35Å; R568-F572 VanDerWaalsContact O-CD2 3.3Å; R568-F572 WeakPolarHBondContact O-CD2 3.36Å; R568-F572 PolarHBondContact O-N 2.85Å; R568-Y649 HydrophobicContact CB-CE2 4.02Å; R568-H657 PolarHBondContact NH2-O 2.93Å; R568-E659 IonicContact CZ-OE1 3.28Å; R568-E659 IonicContact NE-OE1 2.65Å; R568-E659 PolarHBondContact NE-OE1 3.22Å; R568-E659 IonicContact NH2-OE1 3.86Å; R568-E659 PolarHBondContact NH2-OE1 3.44Å
569	A	96.9	Very high	96.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-47.2	-44.8	172.8	0	0	0	0	0	113.5	P567 G573 Y649 P669 I672 F673 S676	P567-A569 PolarHBondContact O-N 3.24Å; A569-G573 PolarHBondContact O-N 3.22Å; A569-Y649 HydrophobicContact CB-CE1 4.3Å; A569-Y649 HydrophobicContact CB-CE2 4.31Å; A569-P669 HydrophobicContact CB-CB 4.37Å; A569-P669 WeakPolarHBondContact CB-O 3.32Å; A569-I672 HydrophobicContact CB-CB 4.22Å; A569-I672 HydrophobicContact CB-CG2 3.98Å; A569-F673 HydrophobicContact CB-CB 4.28Å; A569-F673 WeakPolarHBondContact O-CA 3.46Å; A569-S676 PolarHBondContact O-OG 3.41Å
570	V	97.8	Very high	96.7	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.3	-53.2	179.4	174.1	0	0	0	0	110.6	L85 Y566 P567 R568 F572 G573 A574 L662 I672 S676	L85-V570 HydrophobicContact CD2-CB 4.36Å; L85-V570 HydrophobicContact CD2-CG1 3.58Å; L85-V570 HydrophobicContact CD2-CG2 3.98Å; Y566-V570 HydrophobicContact CD2-CG1 3.66Å; Y566-V570 HydrophobicContact CE2-CG1 4.23Å; Y566-V570 HydrophobicContact CG-CG1 4.11Å; P567-V570 HydrophobicContact CB-CG2 4.14Å; P567-V570 HydrophobicContact CG-CG2 4.28Å; P567-V570 WeakPolarHBondContact O-CB 3.46Å; P567-V570 PolarHBondContact O-N 2.78Å; R568-V570 PolarHBondContact O-N 2.98Å; V570-F572 VanDerWaalsContact C-N 3.29Å; V570-F572 PolarHBondContact O-N 3.22Å; V570-G573 PolarHBondContact O-N 3.46Å; V570-A574 WeakPolarHBondContact O-CB 3.24Å; V570-A574 PolarHBondContact O-N 2.81Å; V570-L662 HydrophobicContact CG2-CD1 4.24Å; V570-I672 HydrophobicContact CG2-CG2 3.47Å; V570-I672 VanDerWaalsContact CG2-CG2 3.47Å; V570-S676 PolarHBondContact O-OG 3.47Å
571	N	98.1	Very high	96.9	Very high	16 Å²	16	13.4 Å²	13.4	9%	0.086	7%	0.074	C	C	.	.	H	α-helix	trans	-61.4	-38.7	-177.1	-79.3	-29.7	0	0	0	112.1	L442 F562 H563 P567 R568 A575 G576	L442-N571 HydrophobicContact CD2-CB 4.35Å; L442-N571 WeakPolarHBondContact CD2-O 3.48Å; F562-N571 HydrophobicContact CD2-CB 4.3Å; F562-N571 WeakPolarHBondContact CD2-OD1 3.09Å; F562-N571 HydrophobicContact CE2-CB 4.34Å; H563-N571 PolarHBondContact N-OD1 3.11Å; H563-N571 VanDerWaalsContact N-OD1 3.15Å; H563-N571 PolarHBondContact O-ND2 3.5Å; H563-N571 PolarHBondContact O-OD1 3.27Å; P567-N571 PolarHBondContact O-N 3.43Å; R568-N571 PolarHBondContact O-N 2.94Å; R568-N571 VanDerWaalsContact O-N 3.17Å; N571-A575 PolarHBondContact O-N 3.34Å; N571-G576 PolarHBondContact O-N 3.27Å
572	F	98.3	Very high	97	Very high	10 Å²	10	14.2 Å²	14.2	4%	0.044	8%	0.078	C	C	.	.	H	α-helix	trans	-71.3	-38.6	176	-84	-92.9	0	0	0	112.6	L442 A445 I446 R568 V570 G576 S577 A648 Y649 R652 F673	L442-F572 HydrophobicContact CD1-CD1 3.68Å; L442-F572 HydrophobicContact CD1-CD2 3.82Å; L442-F572 HydrophobicContact CD1-CE1 3.69Å; L442-F572 HydrophobicContact CD1-CE2 3.85Å; L442-F572 HydrophobicContact CD1-CG 3.75Å; L442-F572 HydrophobicContact CD1-CZ 3.78Å; A445-F572 HydrophobicContact CB-CE1 4.02Å; A445-F572 HydrophobicContact CB-CZ 4.02Å; I446-F572 HydrophobicContact CD1-CD1 4.11Å; I446-F572 HydrophobicContact CD1-CE1 4.38Å; R568-F572 HydrophobicContact CB-CD2 4.35Å; R568-F572 VanDerWaalsContact O-CD2 3.3Å; R568-F572 WeakPolarHBondContact O-CD2 3.36Å; R568-F572 PolarHBondContact O-N 2.85Å; V570-F572 VanDerWaalsContact C-N 3.29Å; V570-F572 PolarHBondContact O-N 3.22Å; F572-G576 CarbonylContact O-C 3.45Å; F572-G576 VanDerWaalsContact O-CA 3.25Å; F572-G576 WeakPolarHBondContact O-CA 3.42Å; F572-S577 PolarHBondContact O-N 2.93Å; F572-A648 HydrophobicContact CD1-CB 3.98Å; F572-A648 HydrophobicContact CE1-CB 3.63Å; F572-Y649 HydrophobicContact CB-CD2 4.2Å; F572-Y649 HydrophobicContact CB-CG 4.21Å; F572-Y649 AromaticContact CD2-CD2 3.92Å; F572-Y649 HydrophobicContact CD2-CD2 3.92Å; F572-Y649 HydrophobicContact CE2-CD2 4.5Å; F572-Y649 HydrophobicContact CG-CD2 4.04Å; F572-Y649 HydrophobicContact CG-CG 4.3Å; F572-R652 HydrophobicContact CE2-CB 4.42Å; F572-R652 HydrophobicContact CE2-CG 4.18Å; F572-R652 HydrophobicContact CZ-CB 4.13Å; F572-R652 HydrophobicContact CZ-CG 4.17Å; F572-F673 HydrophobicContact CB-CD2 4.02Å; F572-F673 HydrophobicContact CB-CE2 3.93Å
573	G	98	Very high	97	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-76.9	-31.7	-178.8	0	0	0	0	0	114	A569 V570 S577 F673 S676 Y677	A569-G573 PolarHBondContact O-N 3.22Å; V570-G573 PolarHBondContact O-N 3.46Å; G573-S577 PolarHBondContact O-OG 3.32Å; G573-F673 VanDerWaalsContact CA-CD2 3.48Å; G573-F673 VanDerWaalsContact CA-CE2 3.46Å; G573-S676 WeakPolarHBondContact CA-OG 3.23Å; G573-Y677 WeakPolarHBondContact O-CA 3.47Å; G573-Y677 VanDerWaalsContact O-CB 3.31Å; G573-Y677 WeakPolarHBondContact O-CB 3.48Å; G573-Y677 PolarHBondContact O-N 2.99Å
574	A	97	Very high	97	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-90.4	176.8	0	0	0	0	0	111.3	F561 V570 G576 S577 I578 V680	F561-A574 VanDerWaalsContact O-CB 3.32Å; F561-A574 WeakPolarHBondContact O-CB 3.35Å; V570-A574 WeakPolarHBondContact O-CB 3.24Å; V570-A574 PolarHBondContact O-N 2.81Å; A574-G576 PolarHBondContact O-N 3.23Å; A574-S577 PolarHBondContact O-N 3.2Å; A574-S577 PolarHBondContact O-OG 3.23Å; A574-I578 PolarHBondContact O-N 3.22Å; A574-V680 HydrophobicContact CB-CG1 3.6Å
575	A	97.9	Very high	97	Very high	6 Å²	6	10.6 Å²	10.6	5%	0.05	6%	0.057	C	C	.	.	H	α-helix	trans	-59	-33.7	-178.4	0	0	0	0	0	113.7	L442 F561 F562 N571 S577 I578 M579	L442-A575 HydrophobicContact CD2-CB 3.98Å; F561-A575 WeakPolarHBondContact O-CB 3.34Å; F561-A575 PolarHBondContact O-N 2.88Å; F562-A575 HydrophobicContact CB-CB 3.96Å; F562-A575 HydrophobicContact CD2-CB 4.01Å; F562-A575 HydrophobicContact CG-CB 4.39Å; N571-A575 PolarHBondContact O-N 3.34Å; A575-S577 PolarHBondContact O-N 3.01Å; A575-I578 PolarHBondContact O-N 3.01Å; A575-M579 WeakPolarHBondContact O-CB 3.43Å; A575-M579 VanDerWaalsContact O-CG 3.28Å; A575-M579 WeakPolarHBondContact O-CG 3.41Å; A575-M579 PolarHBondContact O-N 2.9Å
576	G	98.3	Very high	97	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.6	-36.8	-179.8	0	0	0	0	0	113.7	I446 N571 F572 A574 A580	I446-G576 WeakPolarHBondContact CD1-O 3.36Å; N571-G576 PolarHBondContact O-N 3.27Å; F572-G576 CarbonylContact O-C 3.45Å; F572-G576 VanDerWaalsContact O-CA 3.25Å; F572-G576 WeakPolarHBondContact O-CA 3.42Å; A574-G576 PolarHBondContact O-N 3.23Å; G576-A580 WeakPolarHBondContact O-CB 3.29Å; G576-A580 PolarHBondContact O-N 3.31Å
577	S	97.9	Very high	96.9	Very high	4 Å²	4	8.9 Å²	8.9	3%	0.028	4%	0.041	C	C	.	.	H	α-helix	trans	-71	-37.4	175.4	65.8	0	0	0	0	111.7	F572 G573 A574 A575 A580 H581 Y677	F572-S577 PolarHBondContact O-N 2.93Å; G573-S577 PolarHBondContact O-OG 3.32Å; A574-S577 PolarHBondContact O-N 3.2Å; A574-S577 PolarHBondContact O-OG 3.23Å; A575-S577 PolarHBondContact O-N 3.01Å; S577-A580 PolarHBondContact O-N 3.39Å; S577-H581 WeakPolarHBondContact O-CB 3.49Å; S577-H581 PolarHBondContact O-N 2.95Å; S577-Y677 WeakPolarHBondContact OG-CD2 3.49Å
578	I	97.1	Very high	96.7	Very high	18 Å²	18	10.6 Å²	10.6	9%	0.092	5%	0.048	C	C	.	.	H	α-helix	trans	-63.6	-46.8	173.7	-62.2	170.6	0	0	0	109.6	F118 L556 F561 A574 A575 A580 H581 E582	F118-I578 HydrophobicContact CZ-CD1 4.12Å; L556-I578 HydrophobicContact CD1-CD1 4.29Å; L556-I578 HydrophobicContact CD2-CG2 4.21Å; F561-I578 HydrophobicContact CD1-CD1 3.61Å; F561-I578 HydrophobicContact CE1-CD1 3.92Å; A574-I578 PolarHBondContact O-N 3.22Å; A575-I578 PolarHBondContact O-N 3.01Å; I578-A580 PolarHBondContact O-N 2.96Å; I578-H581 WeakPolarHBondContact O-CB 3.38Å; I578-H581 PolarHBondContact O-N 2.85Å; I578-E582 HydrophobicContact CG2-CG 4.46Å; I578-E582 WeakPolarHBondContact O-CG 3.49Å; I578-E582 PolarHBondContact O-N 3.41Å
579	M	98.3	Very high	96.3	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-57.2	-39.8	175.3	-73.2	174.4	178.3	0	0	112.5	A439 L442 F443 I446 M479 F552 L557 A575 L583	A439-M579 HydrophobicContact CB-CE 4.37Å; L442-M579 HydrophobicContact CB-SD 4.36Å; L442-M579 HydrophobicContact CD2-CE 4.26Å; L442-M579 HydrophobicContact CD2-SD 3.92Å; L442-M579 HydrophobicContact CG-SD 3.84Å; F443-M579 HydrophobicContact CB-CE 4.37Å; F443-M579 HydrophobicContact CB-SD 3.81Å; F443-M579 HydrophobicContact CD2-CB 4.45Å; F443-M579 HydrophobicContact CD2-CG 4.42Å; F443-M579 HydrophobicContact CD2-SD 4.4Å; I446-M579 HydrophobicContact CG1-CB 4.41Å; I446-M579 HydrophobicContact CG2-CB 4.3Å; M479-M579 HydrophobicContact CE-CE 4.25Å; M479-M579 HydrophobicContact SD-CE 4.2Å; F552-M579 HydrophobicContact CD1-CG 4.12Å; F552-M579 HydrophobicContact CE1-CB 4.13Å; F552-M579 HydrophobicContact CE1-CG 3.64Å; F552-M579 HydrophobicContact CE2-CG 4.26Å; F552-M579 HydrophobicContact CZ-CB 3.97Å; F552-M579 HydrophobicContact CZ-CG 3.73Å; L557-M579 HydrophobicContact CD2-CE 3.99Å; A575-M579 WeakPolarHBondContact O-CB 3.43Å; A575-M579 VanDerWaalsContact O-CG 3.28Å; A575-M579 WeakPolarHBondContact O-CG 3.41Å; A575-M579 PolarHBondContact O-N 2.9Å; M579-L583 WeakPolarHBondContact O-CG 3.44Å; M579-L583 PolarHBondContact O-N 3.43Å
580	A	98.1	Very high	95.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-71.8	-40.7	178.4	0	0	0	0	0	112.3	I446 G576 S577 I578 L583 L584 G641 I644	I446-A580 HydrophobicContact CG2-CB 3.59Å; G576-A580 WeakPolarHBondContact O-CB 3.29Å; G576-A580 PolarHBondContact O-N 3.31Å; S577-A580 PolarHBondContact O-N 3.39Å; I578-A580 PolarHBondContact O-N 2.96Å; A580-L583 PolarHBondContact O-N 2.95Å; A580-L584 WeakPolarHBondContact O-CG 3.46Å; A580-L584 PolarHBondContact O-N 3.47Å; A580-G641 VanDerWaalsContact CB-O 3.29Å; A580-G641 WeakPolarHBondContact CB-O 3.49Å; A580-I644 HydrophobicContact CB-CB 3.99Å; A580-I644 HydrophobicContact CB-CG2 3.93Å
581	H	97	Very high	95.5	Very high	13 Å²	13	15.9 Å²	15.9	6%	0.06	8%	0.076	C	C	.	.	H	α-helix	trans	-55.4	-51.1	174	174.2	114.5	0	0	0	110.3	S577 I578 L583 L584 H585 E634 D638	S577-H581 WeakPolarHBondContact O-CB 3.49Å; S577-H581 PolarHBondContact O-N 2.95Å; I578-H581 WeakPolarHBondContact O-CB 3.38Å; I578-H581 PolarHBondContact O-N 2.85Å; H581-L583 VanDerWaalsContact C-N 3.27Å; H581-L583 PolarHBondContact O-N 3.47Å; H581-L584 WeakPolarHBondContact O-CB 3.18Å; H581-L584 PolarHBondContact O-N 3.33Å; H581-H585 AromaticContact CD2-CE1 3.96Å; H581-H585 AromaticContact CD2-NE2 3.54Å; H581-H585 AromaticContact NE2-CE1 3.45Å; H581-H585 PolarHBondContact NE2-CE1 3.02Å; H581-H585 AromaticContact NE2-NE2 3.4Å; H581-H585 PolarHBondContact NE2-NE2 3.44Å; H581-E634 IonicContact CE1-OE2 3.03Å; H581-E634 PolarHBondContact CE1-OE2 3.25Å; H581-E634 IonicContact NE2-OE2 3.23Å; H581-E634 PolarHBondContact NE2-OE2 2.98Å; H581-D638 IonicContact CE1-OD1 2.71Å; H581-D638 PolarHBondContact CE1-OD1 3.5Å; H581-D638 IonicContact CG-OD1 2.73Å; H581-D638 IonicContact ND1-OD1 3.98Å; H581-D638 PolarHBondContact ND1-OD1 3.32Å
582	E	96.2	Very high	94.9	Very high	17 Å²	17	18.9 Å²	18.9	8%	0.079	9%	0.092	C	C	.	.	H	α-helix	trans	-61.5	-34.6	-178.6	-67.3	-63.5	159.6	0	0	113.2	A541 Y542 Y543 V550 F552 I578 L584 H585	A541-E582 HydrophobicContact CB-CG 3.72Å; Y542-E582 VanDerWaalsContact C-OE2 3.26Å; Y542-E582 WeakPolarHBondContact CA-OE2 3.3Å; Y542-E582 PolarHBondContact N-OE2 3.4Å; Y543-E582 PolarHBondContact N-OE2 3.47Å; V550-E582 HydrophobicContact CG2-CB 3.85Å; F552-E582 HydrophobicContact CE1-CB 4.07Å; F552-E582 HydrophobicContact CE1-CG 3.76Å; F552-E582 HydrophobicContact CZ-CB 3.88Å; F552-E582 HydrophobicContact CZ-CG 4.1Å; I578-E582 HydrophobicContact CG2-CG 4.46Å; I578-E582 WeakPolarHBondContact O-CG 3.49Å; I578-E582 PolarHBondContact O-N 3.41Å; E582-L584 VanDerWaalsContact C-N 3.25Å; E582-L584 PolarHBondContact O-N 3.08Å; E582-H585 WeakPolarHBondContact O-CB 3.47Å; E582-H585 PolarHBondContact O-N 2.7Å; E582-H585 IonicContact OE2-CD2 2.62Å; E582-H585 PolarHBondContact OE2-CD2 3.32Å; E582-H585 VanDerWaalsContact OE2-CD2 3.23Å; E582-H585 IonicContact OE2-NE2 3.77Å
583	L	97.3	Very high	94	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-67.6	-25.6	174.9	-70.5	175.3	0	0	0	112.8	F443 I446 R447 L450 L475 M579 A580 H581 H585 I586	F443-L583 HydrophobicContact CE2-CD1 4.17Å; F443-L583 HydrophobicContact CE2-CD2 3.92Å; F443-L583 HydrophobicContact CE2-CG 4.22Å; F443-L583 HydrophobicContact CZ-CD1 4.48Å; F443-L583 HydrophobicContact CZ-CD2 3.96Å; I446-L583 HydrophobicContact CG2-CD1 4Å; R447-L583 HydrophobicContact CB-CD1 4.33Å; L450-L583 HydrophobicContact CD2-CB 3.66Å; L450-L583 HydrophobicContact CD2-CD1 3.98Å; L450-L583 HydrophobicContact CD2-CG 4.36Å; L475-L583 HydrophobicContact CD2-CD2 3.19Å; M579-L583 WeakPolarHBondContact O-CG 3.44Å; M579-L583 PolarHBondContact O-N 3.43Å; A580-L583 PolarHBondContact O-N 2.95Å; H581-L583 VanDerWaalsContact C-N 3.27Å; H581-L583 PolarHBondContact O-N 3.47Å; L583-H585 VanDerWaalsContact C-N 3.34Å; L583-I586 HydrophobicContact CD2-CD1 4.09Å; L583-I586 VanDerWaalsContact O-CB 3.27Å; L583-I586 WeakPolarHBondContact O-CB 3.26Å; L583-I586 VanDerWaalsContact O-CD1 3.29Å; L583-I586 WeakPolarHBondContact O-CD1 3.28Å; L583-I586 WeakPolarHBondContact O-CG1 3.45Å; L583-I586 PolarHBondContact O-N 3.21Å
584	L	96.4	Very high	93	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-77	-20.4	179.7	-67.9	172.7	0	0	0	112.8	L450 A580 H581 E582 I586 F587 A637 I644 W732	L450-L584 HydrophobicContact CD1-CD2 4.01Å; A580-L584 WeakPolarHBondContact O-CG 3.46Å; A580-L584 PolarHBondContact O-N 3.47Å; H581-L584 WeakPolarHBondContact O-CB 3.18Å; H581-L584 PolarHBondContact O-N 3.33Å; E582-L584 VanDerWaalsContact C-N 3.25Å; E582-L584 PolarHBondContact O-N 3.08Å; L584-I586 PolarHBondContact O-N 3.43Å; L584-I586 VanDerWaalsContact O-N 3.13Å; L584-F587 HydrophobicContact CD2-CD2 4.25Å; L584-F587 PolarHBondContact O-N 3.17Å; L584-A637 HydrophobicContact CB-CB 4.14Å; L584-A637 WeakPolarHBondContact CD1-O 3.05Å; L584-I644 HydrophobicContact CD1-CD1 4.08Å; L584-I644 HydrophobicContact CD2-CD1 3.89Å; L584-I644 HydrophobicContact CG-CD1 4.17Å; L584-W732 HydrophobicContact CB-CZ2 4.29Å; L584-W732 HydrophobicContact CD1-CD2 4.39Å; L584-W732 HydrophobicContact CD1-CG 4.47Å; L584-W732 HydrophobicContact CD2-CD2 3.81Å; L584-W732 HydrophobicContact CD2-CE3 3.78Å; L584-W732 HydrophobicContact CD2-CH2 3.85Å; L584-W732 HydrophobicContact CD2-CZ2 3.81Å; L584-W732 HydrophobicContact CD2-CZ3 3.81Å; L584-W732 HydrophobicContact CG-CZ2 4.43Å
585	H	94.8	Very high	92.3	Very high	31 Å²	31	27.7 Å²	27.7	14%	0.144	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-56.3	-27.4	170.3	-67	-51.3	0	0	0	112.9	Y543 H581 E582 L583 F587 Y588 E634	Y543-H585 HydrophobicContact CD1-CB 3.76Å; Y543-H585 HydrophobicContact CG-CB 4.11Å; H581-H585 AromaticContact CD2-CE1 3.96Å; H581-H585 AromaticContact CD2-NE2 3.54Å; H581-H585 AromaticContact NE2-CE1 3.45Å; H581-H585 PolarHBondContact NE2-CE1 3.02Å; H581-H585 AromaticContact NE2-NE2 3.4Å; H581-H585 PolarHBondContact NE2-NE2 3.44Å; E582-H585 WeakPolarHBondContact O-CB 3.47Å; E582-H585 PolarHBondContact O-N 2.7Å; E582-H585 IonicContact OE2-CD2 2.62Å; E582-H585 PolarHBondContact OE2-CD2 3.32Å; E582-H585 VanDerWaalsContact OE2-CD2 3.23Å; E582-H585 IonicContact OE2-NE2 3.77Å; L583-H585 VanDerWaalsContact C-N 3.34Å; H585-F587 PolarHBondContact O-N 3.4Å; H585-Y588 AromaticContact CE1-CE2 3.82Å; H585-Y588 AromaticContact CE1-CZ 3.55Å; H585-Y588 PolarHBondContact CE1-OH 3.03Å; H585-Y588 AromaticContact ND1-CD2 3.9Å; H585-Y588 AromaticContact ND1-CE1 3.55Å; H585-Y588 AromaticContact ND1-CE2 3.09Å; H585-Y588 WeakPolarHBondContact ND1-CE2 3.45Å; H585-Y588 AromaticContact ND1-CZ 2.9Å; H585-Y588 PolarHBondContact ND1-OH 2.66Å; H585-Y588 PolarHBondContact O-N 3.01Å; H585-E634 IonicContact CE1-OE1 2.66Å; H585-E634 IonicContact CE1-OE2 3.54Å; H585-E634 PolarHBondContact CE1-OE2 3.48Å
586	I	94.4	Very high	91.6	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-54.1	-29.3	175.8	-61.7	173.3	0	0	0	112.1	K471 V472 L475 Y543 L583 L584	K471-I586 HydrophobicContact CD-CG2 3.55Å; K471-I586 HydrophobicContact CG-CG2 3.71Å; K471-I586 PolarHBondContact NZ-O 2.94Å; V472-I586 HydrophobicContact CG2-CD1 4.35Å; L475-I586 HydrophobicContact CD1-CD1 3.93Å; L475-I586 HydrophobicContact CD2-CD1 3.8Å; L475-I586 HydrophobicContact CG-CD1 4.38Å; Y543-I586 HydrophobicContact CD1-CG1 4.41Å; Y543-I586 HydrophobicContact CD2-CG1 4.04Å; Y543-I586 HydrophobicContact CE1-CB 4.44Å; Y543-I586 HydrophobicContact CE1-CG1 4.11Å; Y543-I586 HydrophobicContact CE2-CG1 3.73Å; Y543-I586 HydrophobicContact CG-CG1 4.37Å; L583-I586 HydrophobicContact CD2-CD1 4.09Å; L583-I586 VanDerWaalsContact O-CB 3.27Å; L583-I586 WeakPolarHBondContact O-CB 3.26Å; L583-I586 VanDerWaalsContact O-CD1 3.29Å; L583-I586 WeakPolarHBondContact O-CD1 3.28Å; L583-I586 WeakPolarHBondContact O-CG1 3.45Å; L583-I586 PolarHBondContact O-N 3.21Å; L584-I586 PolarHBondContact O-N 3.43Å; L584-I586 VanDerWaalsContact O-N 3.13Å
587	F	93.4	Very high	90.8	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-108	4.8	-171.1	-56.5	-60.2	0	0	0	114.1	L450 L454 A468 V472 L584 H585 Q589 L590 L591 W732	L450-F587 HydrophobicContact CD1-CE2 4.22Å; L450-F587 HydrophobicContact CD2-CE2 4.23Å; L454-F587 HydrophobicContact CD1-CE2 4.23Å; L454-F587 HydrophobicContact CD1-CZ 3.73Å; L454-F587 HydrophobicContact CD2-CE2 4.07Å; L454-F587 HydrophobicContact CD2-CZ 4.01Å; A468-F587 HydrophobicContact CB-CD1 4.38Å; A468-F587 HydrophobicContact CB-CE1 3.54Å; A468-F587 HydrophobicContact CB-CZ 4.09Å; V472-F587 HydrophobicContact CG2-CE2 4.1Å; V472-F587 HydrophobicContact CG2-CZ 3.53Å; L584-F587 HydrophobicContact CD2-CD2 4.25Å; L584-F587 PolarHBondContact O-N 3.17Å; H585-F587 PolarHBondContact O-N 3.4Å; F587-Q589 PolarHBondContact O-N 3.24Å; F587-L590 HydrophobicContact CB-CD1 4.34Å; F587-L590 HydrophobicContact CD1-CD1 3.83Å; F587-L590 WeakPolarHBondContact O-CB 3.41Å; F587-L590 PolarHBondContact O-N 3.47Å; F587-L591 PolarHBondContact O-N 3.46Å; F587-W732 HydrophobicContact CB-CH2 3.74Å; F587-W732 HydrophobicContact CB-CZ3 4.4Å; F587-W732 HydrophobicContact CD2-CH2 4.12Å; F587-W732 HydrophobicContact CD2-CZ3 4.19Å; F587-W732 HydrophobicContact CG-CH2 4.27Å
588	Y	91.6	Very high	90.1	Very high	37 Å²	37	37.2 Å²	37.2	15%	0.145	22%	0.22	C	C	.	.	H	α-helix	trans	-53.3	-40.6	-179.4	-83.4	12	0	0	0	113	H585 L590 L591 L592 L633 E634 A637	H585-Y588 AromaticContact CE1-CE2 3.82Å; H585-Y588 AromaticContact CE1-CZ 3.55Å; H585-Y588 PolarHBondContact CE1-OH 3.03Å; H585-Y588 AromaticContact ND1-CD2 3.9Å; H585-Y588 AromaticContact ND1-CE1 3.55Å; H585-Y588 AromaticContact ND1-CE2 3.09Å; H585-Y588 WeakPolarHBondContact ND1-CE2 3.45Å; H585-Y588 AromaticContact ND1-CZ 2.9Å; H585-Y588 PolarHBondContact ND1-OH 2.66Å; H585-Y588 PolarHBondContact O-N 3.01Å; Y588-L590 PolarHBondContact O-N 2.83Å; Y588-L591 PolarHBondContact O-N 2.89Å; Y588-L591 VanDerWaalsContact O-N 3.12Å; Y588-L592 PolarHBondContact O-N 2.73Å; Y588-L633 HydrophobicContact CD1-CB 4.34Å; Y588-L633 HydrophobicContact CD1-CD2 4.43Å; Y588-L633 HydrophobicContact CD2-CB 4.12Å; Y588-L633 HydrophobicContact CD2-CD1 3.85Å; Y588-L633 HydrophobicContact CD2-CG 4.48Å; Y588-L633 HydrophobicContact CE1-CB 4Å; Y588-L633 HydrophobicContact CE2-CB 3.73Å; Y588-L633 HydrophobicContact CE2-CD1 4.22Å; Y588-L633 HydrophobicContact CG-CB 4.37Å; Y588-L633 HydrophobicContact CG-CD1 4.14Å; Y588-L633 HydrophobicContact CG-CD2 4.4Å; Y588-L633 VanDerWaalsContact OH-C 3.29Å; Y588-L633 PolarHBondContact OH-O 3.02Å; Y588-L633 VanDerWaalsContact OH-O 3.12Å; Y588-E634 PolarHBondContact OH-N 3.32Å; Y588-E634 PolarHBondContact OH-OE1 2.93Å; Y588-E634 VanDerWaalsContact OH-OE1 3.14Å; Y588-E634 PolarHBondContact OH-OE2 3.5Å; Y588-E634 VanDerWaalsContact OH-OE2 3.1Å; Y588-A637 HydrophobicContact CE1-CB 4.22Å
589	Q	87.4	Confident	89.6	Confident	136 Å²	136	36.9 Å²	36.9	64%	0.636	22%	0.22	S	C	*	.	H	α-helix	trans	-55.5	-40.7	175.8	-164.7	90.6	13	0	0	111.8	F587 L591 L592 G595	F587-Q589 PolarHBondContact O-N 3.24Å; Q589-L591 VanDerWaalsContact C-N 3.27Å; Q589-L591 PolarHBondContact O-N 3.45Å; Q589-L592 PolarHBondContact O-N 2.86Å; Q589-G595 VanDerWaalsContact O-CA 3.26Å; Q589-G595 WeakPolarHBondContact O-CA 3.34Å
590	L	89	Confident	89.2	Confident	35 Å²	35	40.6 Å²	40.6	18%	0.183	24%	0.239	C	C	.	.	H	α-helix	trans	-69	-26.6	-177.8	-57.7	180	0	0	0	112.8	W459 M460 T464 F587 Y588 C596	W459-L590 HydrophobicContact CH2-CB 4.25Å; W459-L590 HydrophobicContact CZ3-CB 4.28Å; M460-L590 HydrophobicContact CE-CD1 3.87Å; T464-L590 HydrophobicContact CG2-CD1 4.31Å; F587-L590 HydrophobicContact CB-CD1 4.34Å; F587-L590 HydrophobicContact CD1-CD1 3.83Å; F587-L590 WeakPolarHBondContact O-CB 3.41Å; F587-L590 PolarHBondContact O-N 3.47Å; Y588-L590 PolarHBondContact O-N 2.83Å; L590-C596 HydrophobicContact CB-CB 4.36Å; L590-C596 HydrophobicContact CD2-CB 3.98Å
591	L	88.4	Confident	88.6	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-82.9	-14.4	178.5	-57.6	-174	0	0	0	112.8	W459 F587 Y588 Q589 L604 H608 F632 L633 A636 L731 W732	W459-L591 HydrophobicContact CH2-CD2 3.92Å; W459-L591 HydrophobicContact CZ2-CD2 4.07Å; F587-L591 PolarHBondContact O-N 3.46Å; Y588-L591 PolarHBondContact O-N 2.89Å; Y588-L591 VanDerWaalsContact O-N 3.12Å; Q589-L591 VanDerWaalsContact C-N 3.27Å; Q589-L591 PolarHBondContact O-N 3.45Å; L591-L604 HydrophobicContact CD2-CD1 3.84Å; L591-H608 PolarHBondContact O-CE1 2.93Å; L591-F632 HydrophobicContact CB-CE1 4.42Å; L591-L633 HydrophobicContact CB-CD2 3.85Å; L591-L633 HydrophobicContact CD1-CD2 4.05Å; L591-A636 HydrophobicContact CD1-CB 4.08Å; L591-L731 HydrophobicContact CD2-CD1 3.97Å; L591-W732 HydrophobicContact CD1-CH2 4.33Å; L591-W732 HydrophobicContact CD1-CZ2 3.79Å; L591-W732 HydrophobicContact CD2-CH2 4.36Å; L591-W732 HydrophobicContact CD2-CZ2 4.41Å; L591-W732 HydrophobicContact CG-CZ2 4.46Å
592	L	85.8	Confident	88.1	Confident	79 Å²	79	50.1 Å²	50.1	41%	0.414	29%	0.286	S	S	.	.	S	Bend	trans	-81.5	149.2	179.2	-69.7	174.1	0	0	0	111.3	Y588 Q589 G594 G595 L633	Y588-L592 PolarHBondContact O-N 2.73Å; Q589-L592 PolarHBondContact O-N 2.86Å; L592-G594 PolarHBondContact O-N 2.91Å; L592-G595 PolarHBondContact O-N 3.38Å; L592-L633 HydrophobicContact CD2-CD1 4.2Å; L592-L633 HydrophobicContact CD2-CD2 4.5Å
593	P	79.3	Confident	87.7	Confident	113 Å²	113	50.6 Å²	50.6	73%	0.734	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	126.6	176.1	-26.3	34.6	0	0	0	112.2	G595	P593-G595 PolarHBondContact O-N 3.01Å
594	G	77.6	Confident	87.2	Confident	58 Å²	58	50.8 Å²	50.8	60%	0.598	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	1	-178.1	0	0	0	0	0	115	L592	L592-G594 PolarHBondContact O-N 2.91Å
595	G	81.6	Confident	86.8	Confident	24 Å²	24	55 Å²	55	25%	0.247	31%	0.314	C	S	.	.	S	Bend	trans	-79.2	-14.4	-178.1	0	0	0	0	0	115.3	Q589 L592 P593	Q589-G595 VanDerWaalsContact O-CA 3.26Å; Q589-G595 WeakPolarHBondContact O-CA 3.34Å; L592-G595 PolarHBondContact O-N 3.38Å; P593-G595 PolarHBondContact O-N 3.01Å
596	C	83.1	Confident	86.5	Confident	9 Å²	9	57.8 Å²	57.8	6%	0.061	33%	0.327	C	S	.	.			trans	-138.5	94.2	170.6	-171.2	0	0	0	0	111.1	L590 A598 C599	L590-C596 HydrophobicContact CB-CB 4.36Å; L590-C596 HydrophobicContact CD2-CB 3.98Å; C596-A598 VanDerWaalsContact C-N 3.29Å; C596-A598 PolarHBondContact O-N 3.32Å; C596-C599 HydrophobicContact CB-CB 3.62Å; C596-C599 WeakPolarHBondContact CB-SG 3.32Å; C596-C599 PolarHBondContact O-N 2.81Å; C596-C599 WeakPolarHBondContact SG-CB 3.24Å; C596-C599 PolarHBondContact SG-N 3.39Å; C596-C599 CovalentContact SG-SG 2.02Å; C596-C599 PolarHBondContact SG-SG 3.39Å
597	L	81.3	Confident	86.2	Confident	157 Å²	157	57.9 Å²	57.9	82%	0.822	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-28.1	-180	-64.4	174.7	0	0	0	113
598	A	84.4	Confident	86	Confident	44 Å²	44	59 Å²	59	36%	0.364	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-4.2	-178.3	0	0	0	0	0	113.6	N461 C596	N461-A598 VanDerWaalsContact CG-O 3.27Å; N461-A598 PolarHBondContact ND2-O 2.94Å; C596-A598 VanDerWaalsContact C-N 3.29Å; C596-A598 PolarHBondContact O-N 3.32Å
599	C	86.9	Confident	85.9	Confident	12 Å²	12	60.5 Å²	60.5	8%	0.081	34%	0.343	C	S	.	.	S	Bend	trans	-82.2	159.9	178.7	-70.6	0	0	0	0	112	W459 C596 N601	W459-C599 HydrophobicContact CE3-CB 4.19Å; W459-C599 WeakPolarHBondContact O-CA 3.47Å; W459-C599 VanDerWaalsContact O-CB 3.31Å; W459-C599 WeakPolarHBondContact O-CB 3.36Å; C596-C599 HydrophobicContact CB-CB 3.62Å; C596-C599 WeakPolarHBondContact CB-SG 3.32Å; C596-C599 PolarHBondContact O-N 2.81Å; C596-C599 WeakPolarHBondContact SG-CB 3.24Å; C596-C599 PolarHBondContact SG-N 3.39Å; C596-C599 CovalentContact SG-SG 2.02Å; C596-C599 PolarHBondContact SG-SG 3.39Å; C599-N601 PolarHBondContact O-N 2.93Å
600	D	88.8	Confident	86	Confident	78 Å²	78	55.1 Å²	55.1	42%	0.417	32%	0.32	S	S	.	.			trans	-73	93.1	166.5	-175.4	-15.4	0	0	0	109.5	W459 H602 A603 L604	W459-D600 PolarHBondContact O-N 3.34Å; D600-H602 PolarHBondContact O-N 3.47Å; D600-H602 WeakPolarHBondContact OD1-CA 3.16Å; D600-H602 WeakPolarHBondContact OD1-CB 3.39Å; D600-H602 PolarHBondContact OD1-N 3.23Å; D600-A603 HydrophobicContact CB-CB 3.96Å; D600-A603 PolarHBondContact O-N 2.96Å; D600-A603 PolarHBondContact OD1-N 3.43Å; D600-L604 WeakPolarHBondContact O-CB 3.31Å; D600-L604 PolarHBondContact O-N 2.94Å
601	N	85	Confident	86	Confident	77 Å²	77	53.6 Å²	53.6	41%	0.412	31%	0.313	S	S	.	.	H	α-helix	trans	-59.8	-30.6	178.1	-80.4	-38.5	0	0	0	112.7	C599 Q605	C599-N601 PolarHBondContact O-N 2.93Å; N601-Q605 WeakPolarHBondContact O-CB 3.48Å; N601-Q605 WeakPolarHBondContact O-CG 3.41Å; N601-Q605 PolarHBondContact O-N 2.97Å
602	H	87.3	Confident	86	Confident	137 Å²	137	58.5 Å²	58.5	63%	0.634	33%	0.334	S	S	*	.	H	α-helix	trans	-70.4	-48.5	179	179.4	-84.6	0	0	0	110.3	D600 L604 Q605 E606	D600-H602 PolarHBondContact O-N 3.47Å; D600-H602 WeakPolarHBondContact OD1-CA 3.16Å; D600-H602 WeakPolarHBondContact OD1-CB 3.39Å; D600-H602 PolarHBondContact OD1-N 3.23Å; H602-L604 VanDerWaalsContact C-N 3.29Å; H602-L604 PolarHBondContact O-N 3.47Å; H602-Q605 PolarHBondContact O-N 3.45Å; H602-E606 WeakPolarHBondContact O-CB 3.38Å; H602-E606 WeakPolarHBondContact O-CG 3.29Å; H602-E606 PolarHBondContact O-N 2.84Å
603	A	88.1	Confident	86.1	Confident	26 Å²	26	62.5 Å²	62.5	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-59	-41	175.7	0	0	0	0	0	112.2	W459 D600 E606 A607	W459-A603 HydrophobicContact CB-CB 3.87Å; D600-A603 HydrophobicContact CB-CB 3.96Å; D600-A603 PolarHBondContact O-N 2.96Å; D600-A603 PolarHBondContact OD1-N 3.43Å; A603-E606 PolarHBondContact O-N 3.31Å; A603-A607 WeakPolarHBondContact O-CB 3.47Å; A603-A607 PolarHBondContact O-N 3.4Å
604	L	87.3	Confident	86.5	Confident	5 Å²	5	58 Å²	58	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-45.9	178	-172.9	62.7	0	0	0	112.1	W459 L591 D600 H602 E606 A607 H608 L731	W459-L604 HydrophobicContact CD2-CD1 4.06Å; W459-L604 HydrophobicContact CE3-CD1 4.11Å; W459-L604 HydrophobicContact CG-CD1 4.44Å; W459-L604 HydrophobicContact CZ3-CD1 4.39Å; L591-L604 HydrophobicContact CD2-CD1 3.84Å; D600-L604 WeakPolarHBondContact O-CB 3.31Å; D600-L604 PolarHBondContact O-N 2.94Å; H602-L604 VanDerWaalsContact C-N 3.29Å; H602-L604 PolarHBondContact O-N 3.47Å; L604-E606 PolarHBondContact O-N 3.31Å; L604-A607 PolarHBondContact O-N 3.42Å; L604-H608 VanDerWaalsContact CD1-NE2 3.34Å; L604-H608 WeakPolarHBondContact CD1-NE2 3.44Å; L604-H608 WeakPolarHBondContact CG-NE2 3.22Å; L604-H608 PolarHBondContact O-CD2 2.77Å; L604-H608 PolarHBondContact O-N 3.41Å; L604-L731 HydrophobicContact CD1-CD1 3.69Å
605	Q	86.9	Confident	87.1	Confident	89 Å²	89	55.5 Å²	55.5	42%	0.416	29%	0.285	S	S	.	.	H	α-helix	trans	-63.4	-40.3	176.6	-71.6	-64.7	-29.7	0	0	112.2	N601 H602 H608 L609	N601-Q605 WeakPolarHBondContact O-CB 3.48Å; N601-Q605 WeakPolarHBondContact O-CG 3.41Å; N601-Q605 PolarHBondContact O-N 2.97Å; H602-Q605 PolarHBondContact O-N 3.45Å; Q605-H608 WeakPolarHBondContact O-CB 3.45Å; Q605-H608 PolarHBondContact O-N 2.86Å; Q605-L609 WeakPolarHBondContact O-CG 3.32Å; Q605-L609 PolarHBondContact O-N 3.24Å
606	E	89.2	Confident	87.4	Confident	89 Å²	89	57.5 Å²	57.5	42%	0.416	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-41.5	174.4	-78.1	-61.4	119.1	0	0	111.8	H602 A603 L604 H608 L609 C610	H602-E606 WeakPolarHBondContact O-CB 3.38Å; H602-E606 WeakPolarHBondContact O-CG 3.29Å; H602-E606 PolarHBondContact O-N 2.84Å; A603-E606 PolarHBondContact O-N 3.31Å; L604-E606 PolarHBondContact O-N 3.31Å; E606-H608 VanDerWaalsContact C-N 3.34Å; E606-H608 PolarHBondContact O-N 3.48Å; E606-L609 PolarHBondContact O-N 3.29Å; E606-C610 VanDerWaalsContact O-CB 3.31Å; E606-C610 WeakPolarHBondContact O-CB 3.41Å; E606-C610 PolarHBondContact O-N 3.12Å
607	A	88.4	Confident	87.6	Confident	5 Å²	5	59.8 Å²	59.8	4%	0.041	32%	0.319	C	S	.	.	H	α-helix	trans	-62.4	-40.4	174.5	0	0	0	0	0	111.9	A603 L604 C610 L611 L731	A603-A607 WeakPolarHBondContact O-CB 3.47Å; A603-A607 PolarHBondContact O-N 3.4Å; L604-A607 PolarHBondContact O-N 3.42Å; A607-C610 PolarHBondContact O-N 3.4Å; A607-L611 PolarHBondContact O-N 3.14Å; A607-L731 HydrophobicContact CB-CB 4.14Å; A607-L731 HydrophobicContact CB-CD1 3.97Å
608	H	88.1	Confident	87.9	Confident	25 Å²	25	53 Å²	53	12%	0.116	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-49.7	175.8	-66	-178.6	0	0	0	112	L591 L604 Q605 E606 C610 L611 K612 F632	L591-H608 PolarHBondContact O-CE1 2.93Å; L604-H608 VanDerWaalsContact CD1-NE2 3.34Å; L604-H608 WeakPolarHBondContact CD1-NE2 3.44Å; L604-H608 WeakPolarHBondContact CG-NE2 3.22Å; L604-H608 PolarHBondContact O-CD2 2.77Å; L604-H608 PolarHBondContact O-N 3.41Å; Q605-H608 WeakPolarHBondContact O-CB 3.45Å; Q605-H608 PolarHBondContact O-N 2.86Å; E606-H608 VanDerWaalsContact C-N 3.34Å; E606-H608 PolarHBondContact O-N 3.48Å; H608-C610 VanDerWaalsContact C-N 3.29Å; H608-C610 PolarHBondContact O-N 3.32Å; H608-L611 PolarHBondContact O-N 3.27Å; H608-K612 WeakPolarHBondContact O-CB 3.33Å; H608-K612 PolarHBondContact O-N 2.81Å; H608-F632 HydrophobicContact CB-CE2 4.07Å; H608-F632 HydrophobicContact CB-CZ 4.22Å; H608-F632 AromaticContact CD2-CE2 3.82Å; H608-F632 AromaticContact CD2-CZ 3.18Å; H608-F632 WeakPolarHBondContact CD2-CZ 3.41Å; H608-F632 AromaticContact CE1-CZ 3.87Å; H608-F632 AromaticContact CG-CE2 3.93Å; H608-F632 AromaticContact CG-CZ 3.56Å; H608-F632 AromaticContact ND1-CZ 3.98Å; H608-F632 AromaticContact NE2-CE1 3.84Å; H608-F632 AromaticContact NE2-CZ 3.38Å; H608-F632 WeakPolarHBondContact NE2-CZ 3.48Å
609	L	89.2	Confident	87.8	Confident	69 Å²	69	55.5 Å²	55.5	36%	0.361	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-38.8	178.4	-72.2	173.6	0	0	0	111.4	Q605 E606 R613	Q605-L609 WeakPolarHBondContact O-CG 3.32Å; Q605-L609 PolarHBondContact O-N 3.24Å; E606-L609 PolarHBondContact O-N 3.29Å; L609-R613 WeakPolarHBondContact O-CB 3.45Å; L609-R613 VanDerWaalsContact O-CG 3.26Å; L609-R613 WeakPolarHBondContact O-CG 3.4Å; L609-R613 PolarHBondContact O-N 3.28Å
610	C	89.8	Confident	87.2	Confident	23 Å²	23	58.2 Å²	58.2	16%	0.155	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-51.2	173.8	-179.1	0	0	0	0	111.4	E606 A607 H608 K612 R613 H614 C729	E606-C610 VanDerWaalsContact O-CB 3.31Å; E606-C610 WeakPolarHBondContact O-CB 3.41Å; E606-C610 PolarHBondContact O-N 3.12Å; A607-C610 PolarHBondContact O-N 3.4Å; H608-C610 VanDerWaalsContact C-N 3.29Å; H608-C610 PolarHBondContact O-N 3.32Å; C610-K612 VanDerWaalsContact C-N 3.31Å; C610-K612 PolarHBondContact O-N 2.95Å; C610-R613 PolarHBondContact O-N 3.02Å; C610-H614 PolarHBondContact O-CD2 3.06Å; C610-H614 VanDerWaalsContact O-CD2 3.31Å; C610-H614 PolarHBondContact O-N 3.03Å; C610-C729 HydrophobicContact CB-CB 3.75Å; C610-C729 WeakPolarHBondContact CB-SG 3.29Å; C610-C729 PolarHBondContact O-SG 3.34Å; C610-C729 VanDerWaalsContact O-SG 3.39Å; C610-C729 WeakPolarHBondContact SG-CA 3.26Å; C610-C729 WeakPolarHBondContact SG-CB 3.44Å; C610-C729 PolarHBondContact SG-N 3.3Å; C610-C729 VanDerWaalsContact SG-N 3.36Å; C610-C729 CovalentContact SG-SG 2.05Å; C610-C729 PolarHBondContact SG-SG 3.5Å
611	L	89.8	Confident	86.1	Confident	4 Å²	4	57 Å²	57	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-44.7	-177.5	-169.8	66.4	0	0	0	110.8	A607 H608 R613 H614 Y615 F632 N635 A636 V639 C729	A607-L611 PolarHBondContact O-N 3.14Å; H608-L611 PolarHBondContact O-N 3.27Å; L611-R613 PolarHBondContact O-N 3.07Å; L611-H614 PolarHBondContact O-N 3.14Å; L611-Y615 HydrophobicContact CD1-CD2 3.94Å; L611-Y615 HydrophobicContact CD1-CE2 3.53Å; L611-Y615 HydrophobicContact CG-CD2 4.12Å; L611-Y615 HydrophobicContact CG-CE2 4.03Å; L611-Y615 WeakPolarHBondContact O-CD2 3.43Å; L611-Y615 PolarHBondContact O-N 2.9Å; L611-F632 HydrophobicContact CD2-CD2 4.26Å; L611-F632 HydrophobicContact CD2-CE2 3.9Å; L611-N635 HydrophobicContact CD2-CB 4.26Å; L611-A636 HydrophobicContact CD2-CB 4.13Å; L611-V639 HydrophobicContact CD1-CG2 3.73Å; L611-C729 PolarHBondContact N-SG 3.35Å
612	K	88.4	Confident	84.6	Confident	105 Å²	105	59 Å²	59	46%	0.457	33%	0.325	S	S	.	.	H	α-helix	trans	-56.9	-49.1	175.6	-172.6	175	-178.3	172.9	0	112	H608 C610 H614 Y615 A616 D628	H608-K612 WeakPolarHBondContact O-CB 3.33Å; H608-K612 PolarHBondContact O-N 2.81Å; C610-K612 VanDerWaalsContact C-N 3.31Å; C610-K612 PolarHBondContact O-N 2.95Å; K612-H614 VanDerWaalsContact C-N 3.32Å; K612-H614 PolarHBondContact O-N 3.18Å; K612-Y615 PolarHBondContact O-N 3.37Å; K612-A616 VanDerWaalsContact O-CB 3.31Å; K612-A616 WeakPolarHBondContact O-CB 3.22Å; K612-A616 PolarHBondContact O-N 3.25Å; K612-D628 WeakPolarHBondContact CE-OD2 3.27Å; K612-D628 HydrophobicContact CG-CB 4.31Å; K612-D628 VanDerWaalsContact CG-OD2 3.31Å; K612-D628 WeakPolarHBondContact CG-OD2 3.29Å
613	R	87.8	Confident	83.1	Confident	164 Å²	164	64.3 Å²	64.3	62%	0.619	34%	0.34	S	S	*	.	H	α-helix	trans	-61.3	-39.8	177.8	-73.5	172.8	-174	156.7	4.6	112.2	L609 C610 L611 A617	L609-R613 WeakPolarHBondContact O-CB 3.45Å; L609-R613 VanDerWaalsContact O-CG 3.26Å; L609-R613 WeakPolarHBondContact O-CG 3.4Å; L609-R613 PolarHBondContact O-N 3.28Å; C610-R613 PolarHBondContact O-N 3.02Å; L611-R613 PolarHBondContact O-N 3.07Å; R613-A617 PolarHBondContact O-N 3.17Å
614	H	87.5	Confident	81.7	Confident	19 Å²	19	64.2 Å²	64.2	9%	0.088	34%	0.336	C	S	.	.	H	α-helix	trans	-64.5	-46.8	178.7	-83.8	-141.1	0	0	0	111.9	C610 L611 K612 A617 F618 P725 S727	C610-H614 PolarHBondContact O-CD2 3.06Å; C610-H614 VanDerWaalsContact O-CD2 3.31Å; C610-H614 PolarHBondContact O-N 3.03Å; L611-H614 PolarHBondContact O-N 3.14Å; K612-H614 VanDerWaalsContact C-N 3.32Å; K612-H614 PolarHBondContact O-N 3.18Å; H614-A617 PolarHBondContact O-N 3.13Å; H614-F618 WeakPolarHBondContact O-CD2 3.35Å; H614-F618 VanDerWaalsContact O-CE2 3.29Å; H614-F618 WeakPolarHBondContact O-CE2 2.96Å; H614-P725 VanDerWaalsContact CE1-CG 3.49Å; H614-P725 WeakPolarHBondContact CE1-CG 3.27Å; H614-S727 PolarHBondContact CE1-O 3.24Å; H614-S727 VanDerWaalsContact CE1-O 3.22Å; H614-S727 PolarHBondContact NE2-O 2.93Å
615	Y	89.8	Confident	80.5	Confident	4 Å²	4	67.3 Å²	67.3	2%	0.016	36%	0.358	C	S	.	.	H	α-helix	trans	-66.9	-41.2	178.9	-84.5	-112	0	0	0	111.7	L611 K612 A617 F618 F626 N635 V639 L699 P704	L611-Y615 HydrophobicContact CD1-CD2 3.94Å; L611-Y615 HydrophobicContact CD1-CE2 3.53Å; L611-Y615 HydrophobicContact CG-CD2 4.12Å; L611-Y615 HydrophobicContact CG-CE2 4.03Å; L611-Y615 WeakPolarHBondContact O-CD2 3.43Å; L611-Y615 PolarHBondContact O-N 2.9Å; K612-Y615 PolarHBondContact O-N 3.37Å; Y615-A617 PolarHBondContact O-N 3.12Å; Y615-F618 PolarHBondContact O-N 3.27Å; Y615-F626 HydrophobicContact CD1-CZ 4.08Å; Y615-N635 HydrophobicContact CD1-CB 4.42Å; Y615-N635 HydrophobicContact CE1-CB 3.78Å; Y615-N635 WeakPolarHBondContact CE1-OD1 3.36Å; Y615-N635 HydrophobicContact CE2-CB 4.11Å; Y615-N635 PolarHBondContact OH-O 3.45Å; Y615-V639 HydrophobicContact CE2-CG2 4.2Å; Y615-L699 HydrophobicContact CD1-CB 4.19Å; Y615-L699 HydrophobicContact CD1-CD1 4.34Å; Y615-L699 HydrophobicContact CE1-CB 4.3Å; Y615-P704 WeakPolarHBondContact OH-CD 3.02Å
616	A	87.7	Confident	79.5	Confident	66 Å²	66	64.8 Å²	64.8	55%	0.545	35%	0.346	S	S	.	.	H	α-helix	trans	-65.6	-17.6	177.7	0	0	0	0	0	114.2	K612 F618	K612-A616 VanDerWaalsContact O-CB 3.31Å; K612-A616 WeakPolarHBondContact O-CB 3.22Å; K612-A616 PolarHBondContact O-N 3.25Å; A616-F618 VanDerWaalsContact C-N 3.32Å
617	A	87.9	Confident	78.7	Confident	58 Å²	58	64.3 Å²	64.3	48%	0.479	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.4	179.1	0	0	0	0	0	113.6	R613 H614 Y615 L722	R613-A617 PolarHBondContact O-N 3.17Å; H614-A617 PolarHBondContact O-N 3.13Å; Y615-A617 PolarHBondContact O-N 3.12Å; A617-L722 HydrophobicContact CB-CD2 4.28Å
618	F	87.7	Confident	78	Confident	13 Å²	13	65.9 Å²	65.9	6%	0.057	35%	0.354	C	S	.	.	S	Bend	trans	-83.2	135.2	-179.7	-70.5	-74.3	0	0	0	111.4	H614 Y615 A616 L620 L699 H702 L722 L723	H614-F618 WeakPolarHBondContact O-CD2 3.35Å; H614-F618 VanDerWaalsContact O-CE2 3.29Å; H614-F618 WeakPolarHBondContact O-CE2 2.96Å; Y615-F618 PolarHBondContact O-N 3.27Å; A616-F618 VanDerWaalsContact C-N 3.32Å; F618-L620 PolarHBondContact O-N 3.34Å; F618-L699 HydrophobicContact CB-CD2 3.39Å; F618-L699 HydrophobicContact CD2-CD2 4.08Å; F618-L699 HydrophobicContact CG-CD2 3.95Å; F618-H702 HydrophobicContact CD1-CB 3.8Å; F618-H702 AromaticContact CD1-ND1 3.75Å; F618-H702 HydrophobicContact CD2-CB 4.4Å; F618-H702 HydrophobicContact CE1-CB 3.52Å; F618-H702 HydrophobicContact CE2-CB 4.14Å; F618-H702 HydrophobicContact CG-CB 4.25Å; F618-H702 HydrophobicContact CZ-CB 3.71Å; F618-L722 HydrophobicContact CD1-CB 4.41Å; F618-L722 HydrophobicContact CD1-CD1 4.42Å; F618-L722 HydrophobicContact CE1-CB 3.81Å; F618-L722 HydrophobicContact CZ-CB 4.49Å; F618-L723 HydrophobicContact CE1-CD2 3.99Å; F618-L723 HydrophobicContact CZ-CD2 4.18Å
619	P	81.7	Confident	77.4	Confident	97 Å²	97	69.5 Å²	69.5	63%	0.63	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-68.3	126.6	178.1	28.1	-33	0	0	0	110.5
620	L	74	Confident	76.8	Confident	70 Å²	70	69.8 Å²	69.8	37%	0.366	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-83.3	139.9	173	-68	173.6	0	0	0	110.5	F618 F626 L699	F618-L620 PolarHBondContact O-N 3.34Å; L620-F626 HydrophobicContact CD1-CB 3.75Å; L620-F626 HydrophobicContact CD2-CB 4.25Å; L620-L699 HydrophobicContact CD2-CD1 3.97Å; L620-L699 HydrophobicContact CD2-CG 4.39Å
621	P	67.2	Low	76.7	Confident	52 Å²	52	68.8 Å²	68.8	34%	0.338	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-58.1	142.5	169.2	-19.2	29.7	0	0	0	110.9	R623 T624 P685	P621-R623 PolarHBondContact O-N 3.45Å; P621-T624 WeakPolarHBondContact O-CB 3.35Å; P621-T624 PolarHBondContact O-N 2.89Å; P621-T624 PolarHBondContact O-OG1 3.36Å; P621-P685 HydrophobicContact CG-CG 4.16Å
622	S	53.6	Low	76.7	Confident	118 Å²	118	70.4 Å²	70.4	83%	0.825	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	127.6	177	46.8	0	0	0	0	111.5
623	R	55	Low	76.9	Confident	250 Å²	250	67.2 Å²	67.2	94%	0.943	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	9.2	-173.7	-51.4	-179.5	175.2	-172.8	-2.6	117	P621	P621-R623 PolarHBondContact O-N 3.45Å
624	T	59.2	Low	77.2	Confident	24 Å²	24	60.5 Å²	60.5	15%	0.147	35%	0.347	C	S	.	.			trans	-99.2	122	170.3	-36.6	0	0	0	0	109	P621 P696	P621-T624 WeakPolarHBondContact O-CB 3.35Å; P621-T624 PolarHBondContact O-N 2.89Å; P621-T624 PolarHBondContact O-OG1 3.36Å; T624-P696 HydrophobicContact CG2-CB 4.39Å; T624-P696 HydrophobicContact CG2-CG 3.93Å
625	S	60.7	Low	77.5	Confident	70 Å²	70	59.9 Å²	59.9	49%	0.49	35%	0.345	S	S	.	.			trans	-101.8	145.5	166.7	55.6	0	0	0	0	109.5	S690	S625-S690 WeakPolarHBondContact O-CA 3.38Å; S625-S690 WeakPolarHBondContact OG-CB 3.31Å
626	F	66.4	Low	77.7	Confident	36 Å²	36	59.7 Å²	59.7	16%	0.158	34%	0.344	C	S	.	.			trans	-123.2	130.5	-178.4	173.9	-118.6	0	0	0	108.2	Y615 L620 D628 T631 S695 L699	Y615-F626 HydrophobicContact CD1-CZ 4.08Å; L620-F626 HydrophobicContact CD1-CB 3.75Å; L620-F626 HydrophobicContact CD2-CB 4.25Å; F626-D628 WeakPolarHBondContact CD1-OD1 3.25Å; F626-D628 HydrophobicContact CE1-CB 4.24Å; F626-D628 WeakPolarHBondContact CE1-OD1 3.4Å; F626-T631 HydrophobicContact CD2-CG2 4.37Å; F626-T631 HydrophobicContact CE2-CG2 3.85Å; F626-T631 WeakPolarHBondContact CE2-OG1 3.29Å; F626-T631 WeakPolarHBondContact CZ-OG1 3.35Å; F626-S695 WeakPolarHBondContact CE2-OG 3.4Å; F626-L699 HydrophobicContact CD1-CD1 4.14Å; F626-L699 HydrophobicContact CD2-CD1 3.9Å; F626-L699 HydrophobicContact CE1-CD1 4.22Å; F626-L699 HydrophobicContact CE2-CD1 4Å; F626-L699 HydrophobicContact CG-CD1 3.98Å; F626-L699 HydrophobicContact CZ-CD1 4.16Å
627	N	72.3	Confident	78.1	Confident	78 Å²	78	56.6 Å²	56.6	42%	0.417	32%	0.318	S	S	.	.			trans	-108.5	97.1	176.6	-174.3	-19.3	0	0	0	109.4	S629 L630 T631	N627-S629 PolarHBondContact O-N 3.37Å; N627-S629 PolarHBondContact OD1-N 3.14Å; N627-L630 HydrophobicContact CB-CB 3.92Å; N627-L630 PolarHBondContact O-N 2.05Å; N627-L630 PolarHBondContact OD1-N 3.09Å; N627-T631 WeakPolarHBondContact O-CG2 3.19Å; N627-T631 PolarHBondContact O-N 3.39Å; N627-T631 VanDerWaalsContact O-N 3.11Å; N627-T631 PolarHBondContact O-OG1 3.45Å
628	D	73.5	Confident	78.5	Confident	39 Å²	39	54 Å²	54	21%	0.209	30%	0.296	C	S	.	.	H	α-helix	trans	-54.5	-40.7	-178.8	-56.4	10.8	0	0	0	112.2	K612 F626 T631 F632	K612-D628 WeakPolarHBondContact CE-OD2 3.27Å; K612-D628 HydrophobicContact CG-CB 4.31Å; K612-D628 VanDerWaalsContact CG-OD2 3.31Å; K612-D628 WeakPolarHBondContact CG-OD2 3.29Å; F626-D628 WeakPolarHBondContact CD1-OD1 3.25Å; F626-D628 HydrophobicContact CE1-CB 4.24Å; F626-D628 WeakPolarHBondContact CE1-OD1 3.4Å; D628-T631 PolarHBondContact O-N 3.24Å; D628-F632 WeakPolarHBondContact O-CB 3.45Å; D628-F632 PolarHBondContact O-N 2.91Å
629	S	75.3	Confident	78.9	Confident	101 Å²	101	54.1 Å²	54.1	71%	0.706	30%	0.298	S	S	*	.	H	α-helix	trans	-69.4	-36.3	-176.9	-59.5	0	0	0	0	111.9	N627	N627-S629 PolarHBondContact O-N 3.37Å; N627-S629 PolarHBondContact OD1-N 3.14Å
630	L	78.6	Confident	79.5	Confident	75 Å²	75	49.5 Å²	49.5	39%	0.393	27%	0.268	S	S	.	.	H	α-helix	trans	-72	-35.3	178.3	-178.4	61.6	0	0	0	111.9	N627 D692 T693	N627-L630 HydrophobicContact CB-CB 3.92Å; N627-L630 PolarHBondContact O-N 2.05Å; N627-L630 PolarHBondContact OD1-N 3.09Å; L630-D692 VanDerWaalsContact CD2-O 3.31Å; L630-D692 WeakPolarHBondContact CD2-O 3.49Å; L630-T693 HydrophobicContact CD1-CG2 4.21Å
631	T	87	Confident	80.6	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.012	25%	0.25	C	S	.	.	H	α-helix	trans	-98.7	-7.2	-171.1	60.3	0	0	0	0	114.8	F626 N627 D628 L633 E634 N635 T693	F626-T631 HydrophobicContact CD2-CG2 4.37Å; F626-T631 HydrophobicContact CE2-CG2 3.85Å; F626-T631 WeakPolarHBondContact CE2-OG1 3.29Å; F626-T631 WeakPolarHBondContact CZ-OG1 3.35Å; N627-T631 WeakPolarHBondContact O-CG2 3.19Å; N627-T631 PolarHBondContact O-N 3.39Å; N627-T631 VanDerWaalsContact O-N 3.11Å; N627-T631 PolarHBondContact O-OG1 3.45Å; D628-T631 PolarHBondContact O-N 3.24Å; T631-L633 PolarHBondContact O-N 2.91Å; T631-E634 PolarHBondContact O-N 2.89Å; T631-E634 VanDerWaalsContact O-N 3.17Å; T631-N635 WeakPolarHBondContact O-CB 3.42Å; T631-N635 PolarHBondContact O-N 2.95Å; T631-N635 PolarHBondContact O-ND2 3.43Å; T631-N635 PolarHBondContact O-OD1 3.2Å; T631-N635 PolarHBondContact OG1-ND2 2.7Å; T631-T693 VanDerWaalsContact CA-O 3.25Å; T631-T693 WeakPolarHBondContact CA-O 3.49Å; T631-T693 WeakPolarHBondContact CG2-O 3.48Å
632	F	89.9	Confident	82.1	Confident	38 Å²	38	43.7 Å²	43.7	17%	0.167	23%	0.234	C	C	.	.	H	α-helix	trans	-51.8	-48.1	-171.4	170	-101.4	0	0	0	114.1	L591 H608 L611 D628 N635 A636	L591-F632 HydrophobicContact CB-CE1 4.42Å; H608-F632 HydrophobicContact CB-CE2 4.07Å; H608-F632 HydrophobicContact CB-CZ 4.22Å; H608-F632 AromaticContact CD2-CE2 3.82Å; H608-F632 AromaticContact CD2-CZ 3.18Å; H608-F632 WeakPolarHBondContact CD2-CZ 3.41Å; H608-F632 AromaticContact CE1-CZ 3.87Å; H608-F632 AromaticContact CG-CE2 3.93Å; H608-F632 AromaticContact CG-CZ 3.56Å; H608-F632 AromaticContact ND1-CZ 3.98Å; H608-F632 AromaticContact NE2-CE1 3.84Å; H608-F632 AromaticContact NE2-CZ 3.38Å; H608-F632 WeakPolarHBondContact NE2-CZ 3.48Å; L611-F632 HydrophobicContact CD2-CD2 4.26Å; L611-F632 HydrophobicContact CD2-CE2 3.9Å; D628-F632 WeakPolarHBondContact O-CB 3.45Å; D628-F632 PolarHBondContact O-N 2.91Å; F632-N635 PolarHBondContact O-N 3.45Å; F632-A636 WeakPolarHBondContact O-CB 3.42Å; F632-A636 PolarHBondContact O-N 2.89Å
633	L	91.9	Very high	84.1	Confident	37 Å²	37	38.9 Å²	38.9	19%	0.194	20%	0.201	C	C	.	.	H	α-helix	trans	-67.2	-38.5	-176.7	-66.6	176.2	0	0	0	112.1	Y588 L591 L592 T631 A636 A637	Y588-L633 HydrophobicContact CD1-CB 4.34Å; Y588-L633 HydrophobicContact CD1-CD2 4.43Å; Y588-L633 HydrophobicContact CD2-CB 4.12Å; Y588-L633 HydrophobicContact CD2-CD1 3.85Å; Y588-L633 HydrophobicContact CD2-CG 4.48Å; Y588-L633 HydrophobicContact CE1-CB 4Å; Y588-L633 HydrophobicContact CE2-CB 3.73Å; Y588-L633 HydrophobicContact CE2-CD1 4.22Å; Y588-L633 HydrophobicContact CG-CB 4.37Å; Y588-L633 HydrophobicContact CG-CD1 4.14Å; Y588-L633 HydrophobicContact CG-CD2 4.4Å; Y588-L633 VanDerWaalsContact OH-C 3.29Å; Y588-L633 PolarHBondContact OH-O 3.02Å; Y588-L633 VanDerWaalsContact OH-O 3.12Å; L591-L633 HydrophobicContact CB-CD2 3.85Å; L591-L633 HydrophobicContact CD1-CD2 4.05Å; L592-L633 HydrophobicContact CD2-CD1 4.2Å; L592-L633 HydrophobicContact CD2-CD2 4.5Å; T631-L633 PolarHBondContact O-N 2.91Å; L633-A636 WeakPolarHBondContact O-CB 3.26Å; L633-A636 PolarHBondContact O-N 2.79Å; L633-A637 PolarHBondContact O-N 2.84Å
634	E	93.9	Very high	86.1	Confident	24 Å²	24	27 Å²	27	11%	0.112	16%	0.156	C	C	.	.	H	α-helix	trans	-68	-42.9	175.5	-61.3	-54.7	153.8	0	0	111.2	H581 H585 Y588 T631 A636 A637 D638 T693 H694	H581-E634 IonicContact CE1-OE2 3.03Å; H581-E634 PolarHBondContact CE1-OE2 3.25Å; H581-E634 IonicContact NE2-OE2 3.23Å; H581-E634 PolarHBondContact NE2-OE2 2.98Å; H585-E634 IonicContact CE1-OE1 2.66Å; H585-E634 IonicContact CE1-OE2 3.54Å; H585-E634 PolarHBondContact CE1-OE2 3.48Å; Y588-E634 PolarHBondContact OH-N 3.32Å; Y588-E634 PolarHBondContact OH-OE1 2.93Å; Y588-E634 VanDerWaalsContact OH-OE1 3.14Å; Y588-E634 PolarHBondContact OH-OE2 3.5Å; Y588-E634 VanDerWaalsContact OH-OE2 3.1Å; T631-E634 PolarHBondContact O-N 2.89Å; T631-E634 VanDerWaalsContact O-N 3.17Å; E634-A636 VanDerWaalsContact C-N 3.29Å; E634-A636 PolarHBondContact O-N 3.47Å; E634-A637 CarbonylContact O-C 3.56Å; E634-A637 WeakPolarHBondContact O-CA 3.38Å; E634-A637 WeakPolarHBondContact O-CB 3.08Å; E634-A637 PolarHBondContact O-N 3.25Å; E634-D638 PolarHBondContact O-N 3.34Å; E634-T693 VanDerWaalsContact CG-O 3.23Å; E634-T693 WeakPolarHBondContact CG-O 3.46Å; E634-H694 IonicContact OE2-CD2 3.2Å; E634-H694 IonicContact OE2-NE2 3.69Å
635	N	94.1	Very high	88	Confident	6 Å²	6	25.8 Å²	25.8	3%	0.032	15%	0.149	C	C	.	.	H	α-helix	trans	-60.7	-39.9	175.8	-64	-20.7	0	0	0	111.9	L611 Y615 T631 F632 D638 V639 S695	L611-N635 HydrophobicContact CD2-CB 4.26Å; Y615-N635 HydrophobicContact CD1-CB 4.42Å; Y615-N635 HydrophobicContact CE1-CB 3.78Å; Y615-N635 WeakPolarHBondContact CE1-OD1 3.36Å; Y615-N635 HydrophobicContact CE2-CB 4.11Å; Y615-N635 PolarHBondContact OH-O 3.45Å; T631-N635 WeakPolarHBondContact O-CB 3.42Å; T631-N635 PolarHBondContact O-N 2.95Å; T631-N635 PolarHBondContact O-ND2 3.43Å; T631-N635 PolarHBondContact O-OD1 3.2Å; T631-N635 PolarHBondContact OG1-ND2 2.7Å; F632-N635 PolarHBondContact O-N 3.45Å; N635-D638 PolarHBondContact O-N 2.8Å; N635-V639 VanDerWaalsContact O-CG2 3.29Å; N635-V639 WeakPolarHBondContact O-CG2 3.2Å; N635-V639 PolarHBondContact O-N 2.77Å; N635-V639 VanDerWaalsContact O-N 3.1Å; N635-S695 PolarHBondContact ND2-OG 3.46Å; N635-S695 WeakPolarHBondContact OD1-CB 3.37Å; N635-S695 PolarHBondContact OD1-OG 3.03Å
636	A	94.6	Very high	89.8	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.8	-45.8	173.4	0	0	0	0	0	110.8	L591 L611 F632 L633 E634 D638 V639 G640 L731 W732	L591-A636 HydrophobicContact CD1-CB 4.08Å; L611-A636 HydrophobicContact CD2-CB 4.13Å; F632-A636 WeakPolarHBondContact O-CB 3.42Å; F632-A636 PolarHBondContact O-N 2.89Å; L633-A636 WeakPolarHBondContact O-CB 3.26Å; L633-A636 PolarHBondContact O-N 2.79Å; E634-A636 VanDerWaalsContact C-N 3.29Å; E634-A636 PolarHBondContact O-N 3.47Å; A636-D638 PolarHBondContact O-N 3.38Å; A636-V639 PolarHBondContact O-N 3.22Å; A636-G640 PolarHBondContact O-N 2.95Å; A636-L731 HydrophobicContact CB-CD2 3.48Å; A636-L731 VanDerWaalsContact CB-CD2 3.48Å; A636-W732 PolarHBondContact O-NE1 3.44Å
637	A	95.8	Very high	91.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.7	-38.7	177.2	0	0	0	0	0	112.4	L584 Y588 L633 E634 G641	L584-A637 HydrophobicContact CB-CB 4.14Å; L584-A637 WeakPolarHBondContact CD1-O 3.05Å; Y588-A637 HydrophobicContact CE1-CB 4.22Å; L633-A637 PolarHBondContact O-N 2.84Å; E634-A637 CarbonylContact O-C 3.56Å; E634-A637 WeakPolarHBondContact O-CA 3.38Å; E634-A637 WeakPolarHBondContact O-CB 3.08Å; E634-A637 PolarHBondContact O-N 3.25Å; A637-G641 WeakPolarHBondContact O-CA 3.34Å; A637-G641 PolarHBondContact O-N 3.43Å
638	D	96.1	Very high	92.4	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.027	12%	0.115	C	C	.	.	H	α-helix	trans	-65.9	-45.3	176.9	-77.1	-25.2	0	0	0	112.8	H581 E634 N635 A636 G641 L642 P704	H581-D638 IonicContact CE1-OD1 2.71Å; H581-D638 PolarHBondContact CE1-OD1 3.5Å; H581-D638 IonicContact CG-OD1 2.73Å; H581-D638 IonicContact ND1-OD1 3.98Å; H581-D638 PolarHBondContact ND1-OD1 3.32Å; E634-D638 PolarHBondContact O-N 3.34Å; N635-D638 PolarHBondContact O-N 2.8Å; A636-D638 PolarHBondContact O-N 3.38Å; D638-G641 PolarHBondContact O-N 2.83Å; D638-L642 PolarHBondContact O-N 2.65Å; D638-P704 HydrophobicContact CB-CG 3.64Å
639	V	95.5	Very high	93.6	Very high	15 Å²	15	18.5 Å²	18.5	9%	0.091	11%	0.105	C	C	.	.	H	α-helix	trans	-61.5	-47.8	176.9	171.1	0	0	0	0	110.8	L611 Y615 N635 A636 A643 P704	L611-V639 HydrophobicContact CD1-CG2 3.73Å; Y615-V639 HydrophobicContact CE2-CG2 4.2Å; N635-V639 VanDerWaalsContact O-CG2 3.29Å; N635-V639 WeakPolarHBondContact O-CG2 3.2Å; N635-V639 PolarHBondContact O-N 2.77Å; N635-V639 VanDerWaalsContact O-N 3.1Å; A636-V639 PolarHBondContact O-N 3.22Å; V639-A643 WeakPolarHBondContact O-CB 3.31Å; V639-A643 PolarHBondContact O-N 3.36Å; V639-P704 HydrophobicContact CG2-CB 4.37Å; V639-P704 HydrophobicContact CG2-CG 4.13Å
640	G	95.8	Very high	94.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.5	-40.9	178.3	0	0	0	0	0	112.3	A636 L642 A643 I644	A636-G640 PolarHBondContact O-N 2.95Å; G640-L642 PolarHBondContact O-N 3.2Å; G640-A643 PolarHBondContact O-N 3.34Å; G640-I644 WeakPolarHBondContact O-CB 3.37Å; G640-I644 WeakPolarHBondContact O-CD1 3.43Å; G640-I644 VanDerWaalsContact O-CG1 3.23Å; G640-I644 WeakPolarHBondContact O-CG1 3.16Å; G640-I644 PolarHBondContact O-N 2.84Å
641	G	97.3	Very high	95.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.3	-47.7	-177.9	0	0	0	0	0	111.9	A580 A637 D638 A645	A580-G641 VanDerWaalsContact CB-O 3.29Å; A580-G641 WeakPolarHBondContact CB-O 3.49Å; A637-G641 WeakPolarHBondContact O-CA 3.34Å; A637-G641 PolarHBondContact O-N 3.43Å; D638-G641 PolarHBondContact O-N 2.83Å; G641-A645 VanDerWaalsContact O-CB 3.25Å; G641-A645 WeakPolarHBondContact O-CB 3.36Å; G641-A645 PolarHBondContact O-N 2.75Å
642	L	97.5	Very high	95.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.2	-44	174.5	-178.2	64	0	0	0	112.1	D638 G640 A645 L646 F673 F674 Y677 P704 L705	D638-L642 PolarHBondContact O-N 2.65Å; G640-L642 PolarHBondContact O-N 3.2Å; L642-A645 PolarHBondContact O-N 3.36Å; L642-L646 WeakPolarHBondContact O-CB 3.32Å; L642-L646 PolarHBondContact O-N 3.09Å; L642-F673 HydrophobicContact CD1-CE1 3.58Å; L642-F673 HydrophobicContact CD1-CZ 3.91Å; L642-F674 HydrophobicContact CD1-CD1 4.45Å; L642-F674 HydrophobicContact CD2-CE1 4.5Å; L642-Y677 HydrophobicContact CB-CE2 4.4Å; L642-Y677 HydrophobicContact CD1-CD1 3.91Å; L642-Y677 HydrophobicContact CD1-CD2 3.83Å; L642-Y677 HydrophobicContact CD1-CE1 4.31Å; L642-Y677 HydrophobicContact CD1-CE2 4.25Å; L642-Y677 HydrophobicContact CD1-CG 3.63Å; L642-Y677 HydrophobicContact CD2-CD1 4.15Å; L642-Y677 HydrophobicContact CD2-CE1 3.99Å; L642-P704 HydrophobicContact CB-CB 4.13Å; L642-P704 HydrophobicContact CD2-CB 3.69Å; L642-L705 HydrophobicContact CD2-CD2 3.8Å; L642-L705 HydrophobicContact CD2-CG 4.41Å
643	A	96.1	Very high	95.5	Very high	16 Å²	16	20 Å²	20	13%	0.132	10%	0.101	C	C	.	.	H	α-helix	trans	-64.9	-44.2	-178.7	0	0	0	0	0	112.4	V639 G640 L646 Q647	V639-A643 WeakPolarHBondContact O-CB 3.31Å; V639-A643 PolarHBondContact O-N 3.36Å; G640-A643 PolarHBondContact O-N 3.34Å; A643-L646 PolarHBondContact O-N 3.1Å; A643-Q647 WeakPolarHBondContact O-CB 3.46Å; A643-Q647 PolarHBondContact O-N 2.86Å
644	I	97.8	Very high	95.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.4	-45	177.1	-69	161.5	0	0	0	110.4	I446 A449 L450 A580 L584 G640 L646 Q647 A648	I446-I644 HydrophobicContact CG2-CG2 4.1Å; A449-I644 HydrophobicContact CB-CG2 4.04Å; L450-I644 HydrophobicContact CB-CD1 4.29Å; L450-I644 HydrophobicContact CB-CG2 4.15Å; L450-I644 HydrophobicContact CD1-CD1 3.67Å; A580-I644 HydrophobicContact CB-CB 3.99Å; A580-I644 HydrophobicContact CB-CG2 3.93Å; L584-I644 HydrophobicContact CD1-CD1 4.08Å; L584-I644 HydrophobicContact CD2-CD1 3.89Å; L584-I644 HydrophobicContact CG-CD1 4.17Å; G640-I644 WeakPolarHBondContact O-CB 3.37Å; G640-I644 WeakPolarHBondContact O-CD1 3.43Å; G640-I644 VanDerWaalsContact O-CG1 3.23Å; G640-I644 WeakPolarHBondContact O-CG1 3.16Å; G640-I644 PolarHBondContact O-N 2.84Å; I644-L646 VanDerWaalsContact C-N 3.32Å; I644-L646 PolarHBondContact O-N 3.34Å; I644-Q647 WeakPolarHBondContact O-CB 3.41Å; I644-Q647 PolarHBondContact O-N 3.2Å; I644-A648 WeakPolarHBondContact O-CB 3.22Å; I644-A648 PolarHBondContact O-N 2.73Å
645	A	98.4	Very high	94.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-40.8	177.9	0	0	0	0	0	112.3	I446 G641 L642 A648 Y649 F673	I446-A645 HydrophobicContact CD1-CB 3.93Å; G641-A645 VanDerWaalsContact O-CB 3.25Å; G641-A645 WeakPolarHBondContact O-CB 3.36Å; G641-A645 PolarHBondContact O-N 2.75Å; L642-A645 PolarHBondContact O-N 3.36Å; A645-A648 PolarHBondContact O-N 3.3Å; A645-Y649 WeakPolarHBondContact O-CB 3.25Å; A645-Y649 PolarHBondContact O-N 2.98Å; A645-F673 HydrophobicContact CB-CE2 4.23Å; A645-F673 HydrophobicContact CB-CZ 4.09Å
646	L	97.8	Very high	94.3	Very high	17 Å²	17	35.5 Å²	35.5	9%	0.089	17%	0.169	C	C	.	.	H	α-helix	trans	-66.1	-40.2	175.1	-179.6	66	0	0	0	112.1	L642 A643 I644 Y649 S650 F673 F674 T708 A710	L642-L646 WeakPolarHBondContact O-CB 3.32Å; L642-L646 PolarHBondContact O-N 3.09Å; A643-L646 PolarHBondContact O-N 3.1Å; I644-L646 VanDerWaalsContact C-N 3.32Å; I644-L646 PolarHBondContact O-N 3.34Å; L646-Y649 PolarHBondContact O-N 2.87Å; L646-S650 WeakPolarHBondContact O-CB 3.41Å; L646-S650 PolarHBondContact O-N 3.38Å; L646-S650 PolarHBondContact O-OG 3.42Å; L646-F673 HydrophobicContact CB-CE1 3.83Å; L646-F673 HydrophobicContact CB-CE2 4.47Å; L646-F673 HydrophobicContact CB-CZ 3.66Å; L646-F673 HydrophobicContact CD1-CD1 3.92Å; L646-F673 HydrophobicContact CD1-CE1 3.79Å; L646-F673 HydrophobicContact CD1-CG 4.42Å; L646-F673 HydrophobicContact CD1-CZ 4.17Å; L646-F673 HydrophobicContact CG-CE1 4.33Å; L646-F674 HydrophobicContact CD1-CZ 4.17Å; L646-F674 HydrophobicContact CD2-CE1 4.44Å; L646-F674 HydrophobicContact CD2-CZ 3.93Å; L646-T708 HydrophobicContact CD2-CG2 3.72Å; L646-A710 HydrophobicContact CD2-CB 3.48Å; L646-A710 VanDerWaalsContact CD2-CB 3.48Å
647	Q	96.9	Very high	93.5	Very high	49 Å²	49	43.8 Å²	43.8	23%	0.229	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-44.7	175.3	178.4	179.5	-24.8	0	0	110.9	A449 R453 A643 I644 S650 K651	A449-Q647 HydrophobicContact CB-CB 4.48Å; A449-Q647 HydrophobicContact CB-CG 4.28Å; A449-Q647 PolarHBondContact O-NE2 3.32Å; R453-Q647 VanDerWaalsContact NH1-OE1 3.07Å; A643-Q647 WeakPolarHBondContact O-CB 3.46Å; A643-Q647 PolarHBondContact O-N 2.86Å; I644-Q647 WeakPolarHBondContact O-CB 3.41Å; I644-Q647 PolarHBondContact O-N 3.2Å; Q647-S650 PolarHBondContact O-N 3.42Å; Q647-K651 WeakPolarHBondContact O-CB 3.02Å; Q647-K651 PolarHBondContact O-N 3.39Å
648	A	97.9	Very high	92.9	Very high	3 Å²	3	46.9 Å²	46.9	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-44.7	176.1	0	0	0	0	0	111.7	A445 I446 A449 F572 I644 A645 K651 R652	A445-A648 WeakPolarHBondContact O-CB 3.45Å; I446-A648 HydrophobicContact CD1-CB 3.82Å; A449-A648 HydrophobicContact CB-CB 3.62Å; F572-A648 HydrophobicContact CD1-CB 3.98Å; F572-A648 HydrophobicContact CE1-CB 3.63Å; I644-A648 WeakPolarHBondContact O-CB 3.22Å; I644-A648 PolarHBondContact O-N 2.73Å; A645-A648 PolarHBondContact O-N 3.3Å; A648-K651 PolarHBondContact O-N 2.97Å; A648-R652 WeakPolarHBondContact O-CB 3.31Å; A648-R652 PolarHBondContact O-N 2.86Å
649	Y	97.5	Very high	92.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-45.5	176.1	-180	-126.4	0	0	0	111.8	R568 A569 F572 A645 L646 K651 R652 L653 E659 P669 F673	R568-Y649 HydrophobicContact CB-CE2 4.02Å; A569-Y649 HydrophobicContact CB-CE1 4.3Å; A569-Y649 HydrophobicContact CB-CE2 4.31Å; F572-Y649 HydrophobicContact CB-CD2 4.2Å; F572-Y649 HydrophobicContact CB-CG 4.21Å; F572-Y649 AromaticContact CD2-CD2 3.92Å; F572-Y649 HydrophobicContact CD2-CD2 3.92Å; F572-Y649 HydrophobicContact CE2-CD2 4.5Å; F572-Y649 HydrophobicContact CG-CD2 4.04Å; F572-Y649 HydrophobicContact CG-CG 4.3Å; A645-Y649 WeakPolarHBondContact O-CB 3.25Å; A645-Y649 PolarHBondContact O-N 2.98Å; L646-Y649 PolarHBondContact O-N 2.87Å; Y649-K651 VanDerWaalsContact C-N 3.35Å; Y649-K651 PolarHBondContact O-N 3.38Å; Y649-R652 WeakPolarHBondContact O-CA 3.32Å; Y649-R652 VanDerWaalsContact O-CB 3.28Å; Y649-R652 WeakPolarHBondContact O-CB 3.24Å; Y649-R652 PolarHBondContact O-N 3.39Å; Y649-L653 HydrophobicContact CD1-CD1 4.26Å; Y649-L653 HydrophobicContact CD2-CG 4.47Å; Y649-L653 HydrophobicContact CE1-CD1 3.78Å; Y649-L653 HydrophobicContact CE1-CG 4.34Å; Y649-L653 HydrophobicContact CE2-CD1 4.38Å; Y649-L653 HydrophobicContact CE2-CD2 3.97Å; Y649-L653 HydrophobicContact CE2-CG 4.04Å; Y649-L653 WeakPolarHBondContact O-CG 3.28Å; Y649-L653 PolarHBondContact O-N 3.39Å; Y649-E659 WeakPolarHBondContact CE2-OE2 3.48Å; Y649-E659 PolarHBondContact OH-OE2 3.39Å; Y649-P669 VanDerWaalsContact OH-CB 3.22Å; Y649-P669 WeakPolarHBondContact OH-CB 3.43Å; Y649-F673 HydrophobicContact CD1-CB 4.48Å; Y649-F673 HydrophobicContact CD1-CD2 4.07Å; Y649-F673 HydrophobicContact CD1-CG 4.42Å; Y649-F673 HydrophobicContact CE1-CB 4.47Å; Y649-F673 HydrophobicContact CG-CD2 4.3Å
650	S	95.2	Very high	92.3	Very high	49 Å²	49	49 Å²	49	34%	0.343	25%	0.251	S	S	.	.	H	α-helix	trans	-61	-43.2	178.3	-58.2	0	0	0	0	111.5	L646 Q647 R652 L653 L654	L646-S650 WeakPolarHBondContact O-CB 3.41Å; L646-S650 PolarHBondContact O-N 3.38Å; L646-S650 PolarHBondContact O-OG 3.42Å; Q647-S650 PolarHBondContact O-N 3.42Å; S650-R652 VanDerWaalsContact C-N 3.29Å; S650-R652 PolarHBondContact O-N 3.06Å; S650-L653 PolarHBondContact O-N 2.97Å; S650-L654 PolarHBondContact O-N 2.95Å
651	K	94.3	Very high	92.2	Very high	70 Å²	70	50 Å²	50	30%	0.304	26%	0.257	S	S	.	.	H	α-helix	trans	-63.4	-35.1	174.2	-171.8	177	-176.9	179.2	0	112	Q647 A648 Y649 L654	Q647-K651 WeakPolarHBondContact O-CB 3.02Å; Q647-K651 PolarHBondContact O-N 3.39Å; A648-K651 PolarHBondContact O-N 2.97Å; Y649-K651 VanDerWaalsContact C-N 3.35Å; Y649-K651 PolarHBondContact O-N 3.38Å; K651-L654 PolarHBondContact O-N 2.96Å
652	R	91.8	Very high	92	Very high	85 Å²	85	50.2 Å²	50.2	32%	0.321	26%	0.258	S	S	.	.	H	α-helix	trans	-65.7	-41.9	176.3	-168	73.3	-179.4	179.6	4	111.7	F572 A648 Y649 S650 L654 R655 H656	F572-R652 HydrophobicContact CE2-CB 4.42Å; F572-R652 HydrophobicContact CE2-CG 4.18Å; F572-R652 HydrophobicContact CZ-CB 4.13Å; F572-R652 HydrophobicContact CZ-CG 4.17Å; A648-R652 WeakPolarHBondContact O-CB 3.31Å; A648-R652 PolarHBondContact O-N 2.86Å; Y649-R652 WeakPolarHBondContact O-CA 3.32Å; Y649-R652 VanDerWaalsContact O-CB 3.28Å; Y649-R652 WeakPolarHBondContact O-CB 3.24Å; Y649-R652 PolarHBondContact O-N 3.39Å; S650-R652 VanDerWaalsContact C-N 3.29Å; S650-R652 PolarHBondContact O-N 3.06Å; R652-L654 VanDerWaalsContact C-N 3.25Å; R652-L654 PolarHBondContact O-N 3.14Å; R652-R655 PolarHBondContact O-N 3.38Å; R652-R655 VanDerWaalsContact O-N 3.1Å; R652-H656 VanDerWaalsContact CZ-CD2 3.43Å; R652-H656 PolarHBondContact NE-CD2 3.43Å; R652-H656 PolarHBondContact NE-NE2 2.83Å; R652-H656 PolarHBondContact NH1-NE2 3.44Å; R652-H656 PolarHBondContact NH2-NE2 3.08Å; R652-H656 PolarHBondContact O-N 3.1Å; R652-H656 VanDerWaalsContact O-N 3.09Å
653	L	89.1	Confident	91.6	Very high	44 Å²	44	51.1 Å²	51.1	23%	0.23	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-32.1	177.5	-70.4	176.3	0	0	0	113.1	Y649 S650 R655 E659	Y649-L653 HydrophobicContact CD1-CD1 4.26Å; Y649-L653 HydrophobicContact CD2-CG 4.47Å; Y649-L653 HydrophobicContact CE1-CD1 3.78Å; Y649-L653 HydrophobicContact CE1-CG 4.34Å; Y649-L653 HydrophobicContact CE2-CD1 4.38Å; Y649-L653 HydrophobicContact CE2-CD2 3.97Å; Y649-L653 HydrophobicContact CE2-CG 4.04Å; Y649-L653 WeakPolarHBondContact O-CG 3.28Å; Y649-L653 PolarHBondContact O-N 3.39Å; S650-L653 PolarHBondContact O-N 2.97Å; L653-R655 VanDerWaalsContact C-N 3.27Å; L653-R655 PolarHBondContact O-N 3.22Å; L653-E659 HydrophobicContact CD2-CG 3.4Å; L653-E659 VanDerWaalsContact CD2-OE1 3.32Å; L653-E659 WeakPolarHBondContact CD2-OE1 3.39Å
654	L	88.3	Confident	91.2	Very high	151 Å²	151	54.7 Å²	54.7	79%	0.791	29%	0.288	S	S	*	.	H	α-helix	trans	-70	-24.3	176.6	-64.9	174.5	0	0	0	113.2	S650 K651 R652	S650-L654 PolarHBondContact O-N 2.95Å; K651-L654 PolarHBondContact O-N 2.96Å; R652-L654 VanDerWaalsContact C-N 3.25Å; R652-L654 PolarHBondContact O-N 3.14Å
655	R	84.3	Confident	90.6	Very high	171 Å²	171	55.4 Å²	55.4	65%	0.645	29%	0.292	S	S	*	.	H	α-helix	trans	-104.8	-15.1	-173.8	-65.9	-179.2	178.1	-179.4	-4.9	113.7	R652 L653	R652-R655 PolarHBondContact O-N 3.38Å; R652-R655 VanDerWaalsContact O-N 3.1Å; L653-R655 VanDerWaalsContact C-N 3.27Å; L653-R655 PolarHBondContact O-N 3.22Å
656	H	82	Confident	90.1	Very high	71 Å²	71	63 Å²	63	33%	0.329	33%	0.332	S	S	.	.			trans	-139.1	132	-174.4	-62.6	-78.5	0	0	0	111.3	R652	R652-H656 VanDerWaalsContact CZ-CD2 3.43Å; R652-H656 PolarHBondContact NE-CD2 3.43Å; R652-H656 PolarHBondContact NE-NE2 2.83Å; R652-H656 PolarHBondContact NH1-NE2 3.44Å; R652-H656 PolarHBondContact NH2-NE2 3.08Å; R652-H656 PolarHBondContact O-N 3.1Å; R652-H656 VanDerWaalsContact O-N 3.09Å
657	H	79.6	Confident	89.9	Confident	174 Å²	174	63.4 Å²	63.4	81%	0.806	34%	0.335	S	S	*	.			trans	-94.4	-179.6	172.1	-56.6	-60.3	0	0	0	111.4	R568	R568-H657 PolarHBondContact NH2-O 2.93Å
658	G	81.9	Confident	89.7	Confident	64 Å²	64	62.9 Å²	62.9	66%	0.66	34%	0.336	S	S	*	.			trans	71.1	49.8	176.3	0	0	0	0	0	113.6
659	E	88	Confident	89.5	Confident	21 Å²	21	63.4 Å²	63.4	10%	0.098	34%	0.34	C	S	.	.			trans	-61.2	144.4	166.2	-70.6	-64.2	115.5	0	0	109.9	P74 R75 R568 Y649 L653 P669	P74-E659 CarbonylContact C-O 3.49Å; P74-E659 WeakPolarHBondContact CA-O 3.46Å; P74-E659 HydrophobicContact CB-CB 4.11Å; P74-E659 VanDerWaalsContact CB-O 3.24Å; P74-E659 WeakPolarHBondContact CB-O 3.47Å; R75-E659 PolarHBondContact N-O 3.34Å; R75-E659 VanDerWaalsContact N-O 3.17Å; R568-E659 IonicContact CZ-OE1 3.28Å; R568-E659 IonicContact NE-OE1 2.65Å; R568-E659 PolarHBondContact NE-OE1 3.22Å; R568-E659 IonicContact NH2-OE1 3.86Å; R568-E659 PolarHBondContact NH2-OE1 3.44Å; Y649-E659 WeakPolarHBondContact CE2-OE2 3.48Å; Y649-E659 PolarHBondContact OH-OE2 3.39Å; L653-E659 HydrophobicContact CD2-CG 3.4Å; L653-E659 VanDerWaalsContact CD2-OE1 3.32Å; L653-E659 WeakPolarHBondContact CD2-OE1 3.39Å; E659-P669 HydrophobicContact CB-CG 4.32Å
660	T	91.4	Very high	89.4	Confident	44 Å²	44	65.6 Å²	65.6	27%	0.27	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	159.9	166.5	55	0	0	0	0	110.1	R75 P567	R75-T660 CarbonylContact O-C 2.98Å; R75-T660 WeakPolarHBondContact O-CA 3.46Å; R75-T660 WeakPolarHBondContact O-CB 3.45Å; P567-T660 WeakPolarHBondContact CA-OG1 3.44Å; P567-T660 WeakPolarHBondContact CB-O 3.44Å
661	V	93.2	Very high	89.5	Confident	21 Å²	21	65.2 Å²	65.2	13%	0.127	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	157.3	173.4	-73.4	0	0	0	0	110.1	P74 R75 C77 P669 I672	P74-V661 HydrophobicContact CB-CG1 3.73Å; P74-V661 HydrophobicContact CB-CG2 4.27Å; P74-V661 HydrophobicContact CG-CB 4.46Å; P74-V661 HydrophobicContact CG-CG1 3.53Å; P74-V661 HydrophobicContact CG-CG2 4.11Å; R75-V661 PolarHBondContact O-N 3.22Å; C77-V661 PolarHBondContact N-O 3.45Å; V661-P669 HydrophobicContact CG1-CG 3.73Å; V661-I672 HydrophobicContact CB-CD1 3.85Å; V661-I672 HydrophobicContact CG1-CD1 3.88Å
662	L	93	Very high	89.6	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.021	33%	0.328	C	S	.	.			trans	-71.7	126.6	169.1	-65.1	175.6	0	0	0	108.5	C82 L85 Y89 P567 V570 L665 I672	C82-L662 HydrophobicContact CB-CD2 4.12Å; L85-L662 HydrophobicContact CD2-CD1 3.97Å; L85-L662 HydrophobicContact CD2-CD2 4.15Å; L85-L662 HydrophobicContact CG-CD1 4.17Å; Y89-L662 HydrophobicContact CD2-CD1 3.67Å; Y89-L662 HydrophobicContact CE2-CD1 3.62Å; P567-L662 HydrophobicContact CG-CD2 4.11Å; P567-L662 HydrophobicContact CG-CG 4.27Å; V570-L662 HydrophobicContact CG2-CD1 4.24Å; L662-L665 HydrophobicContact CB-CD1 3.64Å; L662-L665 HydrophobicContact CB-CG 4.14Å; L662-L665 HydrophobicContact CD1-CD1 3.72Å; L662-L665 HydrophobicContact CG-CD1 4.33Å; L662-I672 HydrophobicContact CB-CD1 4.39Å
663	P	90.1	Very high	89.9	Confident	20 Å²	20	57.9 Å²	57.9	13%	0.13	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	151.9	-177.7	23.6	-29.1	0	0	0	111.3	P76 C77 L83 R86 L665	P76-P663 HydrophobicContact CB-CB 4.11Å; C77-P663 WeakPolarHBondContact O-CD 3.49Å; L83-P663 HydrophobicContact CD2-CG 3.92Å; R86-P663 WeakPolarHBondContact CD-O 3.4Å; R86-P663 VanDerWaalsContact CG-O 3.31Å; R86-P663 WeakPolarHBondContact CG-O 3.46Å; P663-L665 VanDerWaalsContact C-N 3.25Å; P663-L665 PolarHBondContact O-N 2.78Å; P663-L665 VanDerWaalsContact O-N 3.16Å
664	S	86.6	Confident	90.3	Very high	90 Å²	90	55.8 Å²	55.8	63%	0.629	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	23.1	171.5	-46.2	0	0	0	0	116.3
665	L	86.4	Confident	90.7	Very high	15 Å²	15	48.9 Å²	48.9	8%	0.079	27%	0.265	C	S	.	.	S	Bend	trans	-101.9	-14.2	171.1	-65.9	-170.4	0	0	0	113.9	R86 Y89 L90 L662 P663 L667	R86-L665 HydrophobicContact CG-CD2 4.14Å; R86-L665 HydrophobicContact CG-CG 4.31Å; Y89-L665 HydrophobicContact CD2-CD1 3.91Å; L90-L665 HydrophobicContact CD2-CD2 3.57Å; L90-L665 HydrophobicContact CG-CD2 3.77Å; L662-L665 HydrophobicContact CB-CD1 3.64Å; L662-L665 HydrophobicContact CB-CG 4.14Å; L662-L665 HydrophobicContact CD1-CD1 3.72Å; L662-L665 HydrophobicContact CG-CD1 4.33Å; P663-L665 VanDerWaalsContact C-N 3.25Å; P663-L665 PolarHBondContact O-N 2.78Å; P663-L665 VanDerWaalsContact O-N 3.16Å; L665-L667 HydrophobicContact CB-CG 4.41Å; L665-L667 WeakPolarHBondContact O-CG 3.44Å; L665-L667 PolarHBondContact O-N 2.87Å
666	D	87.6	Confident	91.3	Very high	160 Å²	160	40.8 Å²	40.8	86%	0.856	24%	0.235	S	C	*	.			trans	52	35.6	-175	-56.1	-32.8	0	0	0	114.3
667	L	92.6	Very high	92	Very high	26 Å²	26	37.5 Å²	37.5	14%	0.136	22%	0.219	C	C	.	.			trans	-116	140.2	178	-65	-178	0	0	0	111.6	L665 Q671 I672 R675	L665-L667 HydrophobicContact CB-CG 4.41Å; L665-L667 WeakPolarHBondContact O-CG 3.44Å; L665-L667 PolarHBondContact O-N 2.87Å; L667-Q671 HydrophobicContact CB-CB 3.96Å; L667-Q671 HydrophobicContact CD2-CB 4.04Å; L667-Q671 HydrophobicContact CG-CB 4.4Å; L667-I672 HydrophobicContact CB-CG1 3.8Å; L667-R675 HydrophobicContact CD1-CB 4.27Å; L667-R675 VanDerWaalsContact CD1-CD 3.43Å; L667-R675 HydrophobicContact CD1-CG 4.49Å
668	S	93.2	Very high	92.8	Very high	37 Å²	37	29.2 Å²	29.2	26%	0.259	18%	0.181	S	C	.	.			trans	-67.8	162	170.2	83.4	0	0	0	0	111.5	Q670 Q671 I672	S668-Q670 PolarHBondContact O-N 2.67Å; S668-Q670 PolarHBondContact OG-N 2.62Å; S668-Q670 PolarHBondContact OG-OE1 3.41Å; S668-Q670 VanDerWaalsContact OG-OE1 3.09Å; S668-Q671 PolarHBondContact O-N 3.21Å; S668-Q671 PolarHBondContact OG-N 3.37Å; S668-I672 WeakPolarHBondContact O-CG1 3.35Å; S668-I672 PolarHBondContact O-N 2.87Å
669	P	93.8	Very high	93.3	Very high	15 Å²	15	26.3 Å²	26.3	10%	0.097	15%	0.151	C	C	.	.	H	α-helix	trans	-52.7	-39.5	174.1	-26	33.7	0	0	0	113.1	P74 A569 Y649 E659 V661 I672 F673	P74-P669 HydrophobicContact CB-CG 4.19Å; P74-P669 HydrophobicContact CG-CG 4.05Å; A569-P669 HydrophobicContact CB-CB 4.37Å; A569-P669 WeakPolarHBondContact CB-O 3.32Å; Y649-P669 VanDerWaalsContact OH-CB 3.22Å; Y649-P669 WeakPolarHBondContact OH-CB 3.43Å; E659-P669 HydrophobicContact CB-CG 4.32Å; V661-P669 HydrophobicContact CG1-CG 3.73Å; P669-I672 PolarHBondContact O-N 2.7Å; P669-F673 PolarHBondContact O-N 3.32Å
670	Q	95	Very high	93.4	Very high	46 Å²	46	25.5 Å²	25.5	22%	0.215	15%	0.147	C	C	.	.	H	α-helix	trans	-70.5	-34.9	178.7	-57.4	86.4	-5	0	0	112.4	S668 F673 F674 Y714	S668-Q670 PolarHBondContact O-N 2.67Å; S668-Q670 PolarHBondContact OG-N 2.62Å; S668-Q670 PolarHBondContact OG-OE1 3.41Å; S668-Q670 VanDerWaalsContact OG-OE1 3.09Å; Q670-F673 WeakPolarHBondContact O-CB 3.23Å; Q670-F673 PolarHBondContact O-N 3.32Å; Q670-F674 WeakPolarHBondContact O-CD2 3.41Å; Q670-F674 PolarHBondContact O-N 2.94Å; Q670-Y714 HydrophobicContact CB-CD1 3.91Å; Q670-Y714 HydrophobicContact CB-CD2 3.73Å; Q670-Y714 HydrophobicContact CB-CE1 3.86Å; Q670-Y714 HydrophobicContact CB-CE2 3.65Å; Q670-Y714 HydrophobicContact CB-CG 3.86Å; Q670-Y714 HydrophobicContact CG-CD1 4.35Å; Q670-Y714 HydrophobicContact CG-CD2 4.44Å; Q670-Y714 HydrophobicContact CG-CE1 3.8Å; Q670-Y714 HydrophobicContact CG-CE2 3.87Å
671	Q	96.5	Very high	93.3	Very high	41 Å²	41	24.3 Å²	24.3	19%	0.192	14%	0.138	C	C	.	.	H	α-helix	trans	-70.4	-36.5	173	-68.9	172.3	-34	0	0	111.6	L667 S668 F673 F674 R675 Y714 F715	L667-Q671 HydrophobicContact CB-CB 3.96Å; L667-Q671 HydrophobicContact CD2-CB 4.04Å; L667-Q671 HydrophobicContact CG-CB 4.4Å; S668-Q671 PolarHBondContact O-N 3.21Å; S668-Q671 PolarHBondContact OG-N 3.37Å; Q671-F673 VanDerWaalsContact C-N 3.31Å; Q671-F673 PolarHBondContact O-N 2.97Å; Q671-F674 PolarHBondContact O-N 3.41Å; Q671-R675 PolarHBondContact O-N 3.28Å; Q671-Y714 PolarHBondContact NE2-O 2.89Å; Q671-F715 HydrophobicContact CB-CE1 4.17Å; Q671-F715 HydrophobicContact CB-CE2 4.12Å; Q671-F715 HydrophobicContact CB-CZ 3.61Å; Q671-F715 HydrophobicContact CG-CD1 4.47Å; Q671-F715 HydrophobicContact CG-CD2 4.45Å; Q671-F715 HydrophobicContact CG-CE1 3.98Å; Q671-F715 HydrophobicContact CG-CE2 3.94Å; Q671-F715 HydrophobicContact CG-CZ 3.69Å
672	I	96.6	Very high	93.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.2	-39.7	173.1	-70.4	174	0	0	0	110.8	A569 V570 V661 L662 L667 S668 P669 F674 R675 S676	A569-I672 HydrophobicContact CB-CB 4.22Å; A569-I672 HydrophobicContact CB-CG2 3.98Å; V570-I672 HydrophobicContact CG2-CG2 3.47Å; V570-I672 VanDerWaalsContact CG2-CG2 3.47Å; V661-I672 HydrophobicContact CB-CD1 3.85Å; V661-I672 HydrophobicContact CG1-CD1 3.88Å; L662-I672 HydrophobicContact CB-CD1 4.39Å; L667-I672 HydrophobicContact CB-CG1 3.8Å; S668-I672 WeakPolarHBondContact O-CG1 3.35Å; S668-I672 PolarHBondContact O-N 2.87Å; P669-I672 PolarHBondContact O-N 2.7Å; I672-F674 PolarHBondContact O-N 3.32Å; I672-R675 PolarHBondContact O-N 3.37Å; I672-S676 WeakPolarHBondContact O-CB 3.42Å; I672-S676 PolarHBondContact O-N 3.03Å; I672-S676 PolarHBondContact O-OG 2.99Å; I672-S676 VanDerWaalsContact O-OG 3.09Å
673	F	98	Very high	92.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-54.2	-53.6	174.7	170.3	-84.7	0	0	0	111.4	A569 F572 G573 L642 A645 L646 Y649 P669 Q670 Q671 R675 S676 Y677	A569-F673 HydrophobicContact CB-CB 4.28Å; A569-F673 WeakPolarHBondContact O-CA 3.46Å; F572-F673 HydrophobicContact CB-CD2 4.02Å; F572-F673 HydrophobicContact CB-CE2 3.93Å; G573-F673 VanDerWaalsContact CA-CD2 3.48Å; G573-F673 VanDerWaalsContact CA-CE2 3.46Å; L642-F673 HydrophobicContact CD1-CE1 3.58Å; L642-F673 HydrophobicContact CD1-CZ 3.91Å; A645-F673 HydrophobicContact CB-CE2 4.23Å; A645-F673 HydrophobicContact CB-CZ 4.09Å; L646-F673 HydrophobicContact CB-CE1 3.83Å; L646-F673 HydrophobicContact CB-CE2 4.47Å; L646-F673 HydrophobicContact CB-CZ 3.66Å; L646-F673 HydrophobicContact CD1-CD1 3.92Å; L646-F673 HydrophobicContact CD1-CE1 3.79Å; L646-F673 HydrophobicContact CD1-CG 4.42Å; L646-F673 HydrophobicContact CD1-CZ 4.17Å; L646-F673 HydrophobicContact CG-CE1 4.33Å; Y649-F673 HydrophobicContact CD1-CB 4.48Å; Y649-F673 HydrophobicContact CD1-CD2 4.07Å; Y649-F673 HydrophobicContact CD1-CG 4.42Å; Y649-F673 HydrophobicContact CE1-CB 4.47Å; Y649-F673 HydrophobicContact CG-CD2 4.3Å; P669-F673 PolarHBondContact O-N 3.32Å; Q670-F673 WeakPolarHBondContact O-CB 3.23Å; Q670-F673 PolarHBondContact O-N 3.32Å; Q671-F673 VanDerWaalsContact C-N 3.31Å; Q671-F673 PolarHBondContact O-N 2.97Å; F673-R675 PolarHBondContact O-N 2.9Å; F673-S676 PolarHBondContact O-N 3.29Å; F673-S676 PolarHBondContact O-OG 3.36Å; F673-Y677 PolarHBondContact O-N 2.9Å
674	F	98.2	Very high	92	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67	-37.1	179.1	-64.2	-70	0	0	0	112.4	F103 L642 L646 Q670 Q671 I672 Y677 A678 L705 T708 A710 F711 Y714 F715	F103-F674 HydrophobicContact CE1-CB 4.19Å; F103-F674 WeakPolarHBondContact CE1-O 3.4Å; F103-F674 HydrophobicContact CZ-CB 3.99Å; L642-F674 HydrophobicContact CD1-CD1 4.45Å; L642-F674 HydrophobicContact CD2-CE1 4.5Å; L646-F674 HydrophobicContact CD1-CZ 4.17Å; L646-F674 HydrophobicContact CD2-CE1 4.44Å; L646-F674 HydrophobicContact CD2-CZ 3.93Å; Q670-F674 WeakPolarHBondContact O-CD2 3.41Å; Q670-F674 PolarHBondContact O-N 2.94Å; Q671-F674 PolarHBondContact O-N 3.41Å; I672-F674 PolarHBondContact O-N 3.32Å; F674-Y677 WeakPolarHBondContact O-CB 3.06Å; F674-Y677 PolarHBondContact O-N 3.41Å; F674-A678 PolarHBondContact O-N 3.47Å; F674-L705 HydrophobicContact CB-CD2 4.3Å; F674-L705 HydrophobicContact CD1-CD2 3.43Å; F674-L705 VanDerWaalsContact CD1-CD2 3.43Å; F674-L705 HydrophobicContact CE1-CD2 4.14Å; F674-L705 HydrophobicContact CG-CD2 4.19Å; F674-T708 HydrophobicContact CE1-CG2 4Å; F674-T708 HydrophobicContact CZ-CG2 4.22Å; F674-A710 HydrophobicContact CZ-CB 4.17Å; F674-F711 HydrophobicContact CB-CD2 4.07Å; F674-F711 HydrophobicContact CB-CE2 4.45Å; F674-F711 HydrophobicContact CD1-CB 4.16Å; F674-F711 AromaticContact CD1-CD2 3.97Å; F674-F711 HydrophobicContact CD1-CD2 3.97Å; F674-F711 HydrophobicContact CD2-CD2 4.12Å; F674-F711 HydrophobicContact CE1-CB 3.82Å; F674-F711 HydrophobicContact CE1-CD2 4.46Å; F674-F711 HydrophobicContact CE2-CB 4.34Å; F674-F711 AromaticContact CG-CD2 3.77Å; F674-F711 HydrophobicContact CG-CD2 3.77Å; F674-F711 HydrophobicContact CZ-CB 3.92Å; F674-Y714 AromaticContact CE2-CD2 3.83Å; F674-Y714 HydrophobicContact CE2-CD2 3.83Å; F674-F715 HydrophobicContact CB-CE2 3.99Å; F674-F715 AromaticContact CD2-CE2 3.96Å; F674-F715 HydrophobicContact CD2-CE2 3.96Å; F674-F715 HydrophobicContact CG-CE2 4.3Å
675	R	96.5	Very high	91.2	Very high	7 Å²	7	27.3 Å²	27.3	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-44.2	174.5	-175.8	170.9	-178.7	166.3	3.7	111	Y89 L667 Q671 I672 F673 Y677 A678 Q679	Y89-R675 VanDerWaalsContact C-NH2 3.34Å; Y89-R675 HydrophobicContact CD2-CG 4.25Å; Y89-R675 HydrophobicContact CE2-CG 4.37Å; Y89-R675 PolarHBondContact O-NH2 2.9Å; L667-R675 HydrophobicContact CD1-CB 4.27Å; L667-R675 VanDerWaalsContact CD1-CD 3.43Å; L667-R675 HydrophobicContact CD1-CG 4.49Å; Q671-R675 PolarHBondContact O-N 3.28Å; I672-R675 PolarHBondContact O-N 3.37Å; F673-R675 PolarHBondContact O-N 2.9Å; R675-Y677 VanDerWaalsContact C-N 3.32Å; R675-Y677 PolarHBondContact O-N 2.83Å; R675-A678 PolarHBondContact O-N 3.43Å; R675-Q679 HydrophobicContact CG-CG 4.1Å; R675-Q679 WeakPolarHBondContact O-CB 3.49Å; R675-Q679 WeakPolarHBondContact O-CG 3.28Å; R675-Q679 PolarHBondContact O-N 3.46Å
676	S	97	Very high	90.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-37	178.1	56.4	0	0	0	0	113.1	Y89 A569 V570 G573 I672 F673 Q679 V680	Y89-S676 WeakPolarHBondContact OH-CA 3.46Å; Y89-S676 VanDerWaalsContact OH-CB 3.24Å; Y89-S676 WeakPolarHBondContact OH-CB 3.27Å; A569-S676 PolarHBondContact O-OG 3.41Å; V570-S676 PolarHBondContact O-OG 3.47Å; G573-S676 WeakPolarHBondContact CA-OG 3.23Å; I672-S676 WeakPolarHBondContact O-CB 3.42Å; I672-S676 PolarHBondContact O-N 3.03Å; I672-S676 PolarHBondContact O-OG 2.99Å; I672-S676 VanDerWaalsContact O-OG 3.09Å; F673-S676 PolarHBondContact O-N 3.29Å; F673-S676 PolarHBondContact O-OG 3.36Å; S676-Q679 PolarHBondContact O-N 2.84Å; S676-V680 PolarHBondContact O-N 2.95Å
677	Y	97.1	Very high	89.2	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-60.3	-49.3	171.9	173.3	-107.7	0	0	0	112	G573 S577 L642 F673 F674 R675 Q679 V680 M681 Q700 P704 L705	G573-Y677 WeakPolarHBondContact O-CA 3.47Å; G573-Y677 VanDerWaalsContact O-CB 3.31Å; G573-Y677 WeakPolarHBondContact O-CB 3.48Å; G573-Y677 PolarHBondContact O-N 2.99Å; S577-Y677 WeakPolarHBondContact OG-CD2 3.49Å; L642-Y677 HydrophobicContact CB-CE2 4.4Å; L642-Y677 HydrophobicContact CD1-CD1 3.91Å; L642-Y677 HydrophobicContact CD1-CD2 3.83Å; L642-Y677 HydrophobicContact CD1-CE1 4.31Å; L642-Y677 HydrophobicContact CD1-CE2 4.25Å; L642-Y677 HydrophobicContact CD1-CG 3.63Å; L642-Y677 HydrophobicContact CD2-CD1 4.15Å; L642-Y677 HydrophobicContact CD2-CE1 3.99Å; F673-Y677 PolarHBondContact O-N 2.9Å; F674-Y677 WeakPolarHBondContact O-CB 3.06Å; F674-Y677 PolarHBondContact O-N 3.41Å; R675-Y677 VanDerWaalsContact C-N 3.32Å; R675-Y677 PolarHBondContact O-N 2.83Å; Y677-Q679 VanDerWaalsContact C-N 3.29Å; Y677-Q679 PolarHBondContact O-N 2.88Å; Y677-V680 WeakPolarHBondContact O-CG2 3.23Å; Y677-M681 HydrophobicContact CE2-CE 3.96Å; Y677-Q700 PolarHBondContact OH-O 3.48Å; Y677-P704 HydrophobicContact CE1-CB 4.22Å; Y677-P704 VanDerWaalsContact OH-CG 3.26Å; Y677-P704 WeakPolarHBondContact OH-CG 3.01Å; Y677-L705 HydrophobicContact CD1-CD2 4.41Å
678	A	95.6	Very high	87.7	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.1	-32.7	178.5	0	0	0	0	0	112.8	F103 A107 F674 R675 V680 M681 C682 V701	F103-A678 HydrophobicContact CD1-CB 3.82Å; F103-A678 HydrophobicContact CE1-CB 3.66Å; A107-A678 HydrophobicContact CB-CB 3.59Å; F674-A678 PolarHBondContact O-N 3.47Å; R675-A678 PolarHBondContact O-N 3.43Å; A678-V680 PolarHBondContact O-N 3.2Å; A678-M681 CarbonylContact O-C 3.54Å; A678-M681 PolarHBondContact O-N 2.87Å; A678-M681 VanDerWaalsContact O-N 3.14Å; A678-C682 PolarHBondContact O-N 3.44Å; A678-V701 HydrophobicContact CB-CG1 3.82Å; A678-V701 HydrophobicContact CB-CG2 4.12Å
679	Q	92.3	Very high	86.3	Confident	4 Å²	4	26 Å²	26	2%	0.019	14%	0.135	C	C	.	.	H	α-helix	trans	-65.6	-37.3	-177.9	-72.2	-83.8	-11.3	0	0	113.1	Y89 S92 A107 S117 R675 S676 Y677 M681 C682	Y89-Q679 HydrophobicContact CD1-CB 4.22Å; Y89-Q679 HydrophobicContact CD1-CG 3.6Å; Y89-Q679 HydrophobicContact CE1-CB 3.6Å; Y89-Q679 HydrophobicContact CE1-CG 3.39Å; Y89-Q679 HydrophobicContact CE2-CG 4.39Å; Y89-Q679 HydrophobicContact CG-CG 4.22Å; S92-Q679 VanDerWaalsContact OG-CD 3.3Å; S92-Q679 PolarHBondContact OG-NE2 3.32Å; S92-Q679 PolarHBondContact OG-OE1 2.88Å; A107-Q679 PolarHBondContact O-NE2 3.16Å; S117-Q679 PolarHBondContact OG-O 2.9Å; R675-Q679 HydrophobicContact CG-CG 4.1Å; R675-Q679 WeakPolarHBondContact O-CB 3.49Å; R675-Q679 WeakPolarHBondContact O-CG 3.28Å; R675-Q679 PolarHBondContact O-N 3.46Å; S676-Q679 PolarHBondContact O-N 2.84Å; Y677-Q679 VanDerWaalsContact C-N 3.29Å; Y677-Q679 PolarHBondContact O-N 2.88Å; Q679-M681 PolarHBondContact O-N 3.44Å; Q679-C682 VanDerWaalsContact CA-SG 3.59Å; Q679-C682 WeakPolarHBondContact O-CB 3.48Å; Q679-C682 PolarHBondContact O-N 3.44Å; Q679-C682 PolarHBondContact O-SG 2.87Å
680	V	90.6	Very high	84.6	Confident	3 Å²	3	26.3 Å²	26.3	2%	0.018	14%	0.138	C	C	.	.	H	α-helix	trans	-69.6	-21.5	175.7	-64.6	0	0	0	0	112.8	F118 F561 A574 S676 Y677 A678	F118-V680 WeakPolarHBondContact CE2-O 3.26Å; F561-V680 HydrophobicContact CD1-CB 3.86Å; F561-V680 HydrophobicContact CD1-CG1 3.41Å; F561-V680 VanDerWaalsContact CD1-CG1 3.41Å; F561-V680 HydrophobicContact CE1-CB 3.53Å; F561-V680 HydrophobicContact CE1-CG1 3.6Å; F561-V680 HydrophobicContact CG-CG1 3.97Å; F561-V680 HydrophobicContact CZ-CB 4.21Å; F561-V680 HydrophobicContact CZ-CG1 4.27Å; A574-V680 HydrophobicContact CB-CG1 3.6Å; S676-V680 PolarHBondContact O-N 2.95Å; Y677-V680 WeakPolarHBondContact O-CG2 3.23Å; A678-V680 PolarHBondContact O-N 3.2Å
681	M	89.7	Confident	83	Confident	19 Å²	19	30.8 Å²	30.8	9%	0.094	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	1.5	175.1	-54.5	-49.7	-168.2	0	0	113.3	Y677 A678 Q679 R683 V701	Y677-M681 HydrophobicContact CE2-CE 3.96Å; A678-M681 CarbonylContact O-C 3.54Å; A678-M681 PolarHBondContact O-N 2.87Å; A678-M681 VanDerWaalsContact O-N 3.14Å; Q679-M681 PolarHBondContact O-N 3.44Å; M681-R683 PolarHBondContact O-N 2.94Å; M681-V701 HydrophobicContact CB-CG2 3.55Å; M681-V701 HydrophobicContact CG-CG2 3.99Å
682	C	89.1	Confident	81.8	Confident	3 Å²	3	31.6 Å²	31.6	2%	0.02	16%	0.164	C	C	.	.			trans	-64.1	109.5	179.8	-68.4	0	0	0	0	111	C108 N116 S117 A678 Q679	C108-C682 HydrophobicContact CB-CB 3.8Å; C108-C682 WeakPolarHBondContact CB-SG 3.45Å; C108-C682 WeakPolarHBondContact SG-CA 3.31Å; C108-C682 WeakPolarHBondContact SG-CB 3.32Å; C108-C682 CovalentContact SG-SG 2.03Å; C108-C682 PolarHBondContact SG-SG 2.76Å; N116-C682 WeakPolarHBondContact CA-O 3.32Å; S117-C682 PolarHBondContact N-O 3.28Å; S117-C682 VanDerWaalsContact N-O 3.16Å; A678-C682 PolarHBondContact O-N 3.44Å; Q679-C682 VanDerWaalsContact CA-SG 3.59Å; Q679-C682 WeakPolarHBondContact O-CB 3.48Å; Q679-C682 PolarHBondContact O-N 3.44Å; Q679-C682 PolarHBondContact O-SG 2.87Å
683	R	83.7	Confident	81	Confident	50 Å²	50	34.8 Å²	34.8	19%	0.189	18%	0.183	C	C	.	.			trans	-156.7	141.1	172.5	175.2	173.6	75.8	85.9	-16.5	109.6	F104 N115 N116 M681 D689 P697	F104-R683 WeakPolarHBondContact CZ-O 3.44Å; N115-R683 WeakPolarHBondContact O-CA 3.33Å; N116-R683 HydrophobicContact CB-CB 4.16Å; N116-R683 HydrophobicContact CB-CG 3.88Å; N116-R683 WeakPolarHBondContact ND2-CD 3.49Å; M681-R683 PolarHBondContact O-N 2.94Å; R683-D689 IonicContact CZ-OD1 3.53Å; R683-D689 IonicContact CZ-OD2 3.44Å; R683-D689 IonicContact NH1-OD1 3.42Å; R683-D689 PolarHBondContact NH1-OD1 3.11Å; R683-D689 IonicContact NH1-OD2 3.81Å; R683-D689 PolarHBondContact NH1-OD2 3.3Å; R683-D689 IonicContact NH2-OD1 3.75Å; R683-D689 PolarHBondContact NH2-OD1 3.44Å; R683-D689 IonicContact NH2-OD2 3.3Å; R683-P697 HydrophobicContact CB-CB 4.27Å; R683-P697 HydrophobicContact CB-CG 3.82Å; R683-P697 HydrophobicContact CG-CG 4.13Å; R683-P697 WeakPolarHBondContact O-CB 3.45Å
684	K	75.6	Confident	80.4	Confident	91 Å²	91	37.6 Å²	37.6	40%	0.396	20%	0.196	S	C	.	.			trans	-67.1	140.1	171.5	-74.3	-158.5	173.3	-169.2	0	111.2	E113	E113-K684 HydrophobicContact CB-CD 4.32Å; E113-K684 VanDerWaalsContact CG-NZ 3.33Å; E113-K684 IonicContact OE1-NZ 3.78Å; E113-K684 PolarHBondContact OE1-NZ 3.08Å
685	P	70.5	Confident	79.9	Confident	55 Å²	55	37.6 Å²	37.6	36%	0.357	20%	0.196	S	C	.	.			trans	-54.7	140.7	172.2	-23.9	33.2	0	0	0	111.6	P621 D689	P621-P685 HydrophobicContact CG-CG 4.16Å; P685-D689 WeakPolarHBondContact CA-OD2 3.46Å
686	S	68.6	Low	79.5	Confident	26 Å²	26	37.3 Å²	37.3	18%	0.182	20%	0.195	C	C	.	.			trans	-125.8	147.6	179.6	176.1	0	0	0	0	109.9	Q688 D689	S686-Q688 PolarHBondContact O-N 3.39Å; S686-Q688 PolarHBondContact OG-N 2.95Å; S686-D689 PolarHBondContact N-OD2 3.28Å; S686-D689 VanDerWaalsContact O-CB 3.26Å; S686-D689 WeakPolarHBondContact O-CB 3.41Å; S686-D689 PolarHBondContact O-N 2.9Å
687	P	63.7	Low	79	Confident	84 Å²	84	37.4 Å²	37.4	55%	0.545	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-54.5	-26.7	171.3	-25	34.2	0	0	0	113.5	D689 S690	P687-D689 PolarHBondContact O-N 3.18Å; P687-S690 PolarHBondContact O-OG 3.42Å
688	Q	61.2	Low	78.6	Confident	92 Å²	92	38 Å²	38	43%	0.43	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-67.1	-19.6	177.3	-67.6	-179.1	-13.1	0	0	113.6	P399 S686 S690 H691 D692	P399-Q688 HydrophobicContact CG-CG 4.17Å; S686-Q688 PolarHBondContact O-N 3.39Å; S686-Q688 PolarHBondContact OG-N 2.95Å; Q688-S690 PolarHBondContact O-N 2.95Å; Q688-S690 VanDerWaalsContact O-N 3.1Å; Q688-H691 PolarHBondContact O-N 2.9Å; Q688-D692 PolarHBondContact O-N 3.07Å
689	D	62.3	Low	78.4	Confident	7 Å²	7	38 Å²	38	4%	0.037	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-62.2	-21.4	-178.7	-60.3	-15	0	0	0	112.1	R683 P685 S686 P687 H691 D692 P696	R683-D689 IonicContact CZ-OD1 3.53Å; R683-D689 IonicContact CZ-OD2 3.44Å; R683-D689 IonicContact NH1-OD1 3.42Å; R683-D689 PolarHBondContact NH1-OD1 3.11Å; R683-D689 IonicContact NH1-OD2 3.81Å; R683-D689 PolarHBondContact NH1-OD2 3.3Å; R683-D689 IonicContact NH2-OD1 3.75Å; R683-D689 PolarHBondContact NH2-OD1 3.44Å; R683-D689 IonicContact NH2-OD2 3.3Å; P685-D689 WeakPolarHBondContact CA-OD2 3.46Å; S686-D689 PolarHBondContact N-OD2 3.28Å; S686-D689 VanDerWaalsContact O-CB 3.26Å; S686-D689 WeakPolarHBondContact O-CB 3.41Å; S686-D689 PolarHBondContact O-N 2.9Å; P687-D689 PolarHBondContact O-N 3.18Å; D689-H691 PolarHBondContact O-N 3.45Å; D689-D692 PolarHBondContact O-N 3.2Å; D689-P696 HydrophobicContact CB-CB 4.37Å; D689-P696 HydrophobicContact CB-CG 4.13Å
690	S	59.4	Low	78.5	Confident	23 Å²	23	38.9 Å²	38.9	16%	0.161	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-69	-16.7	176.1	62.5	0	0	0	0	114.6	S625 P687 Q688	S625-S690 WeakPolarHBondContact O-CA 3.38Å; S625-S690 WeakPolarHBondContact OG-CB 3.31Å; P687-S690 PolarHBondContact O-OG 3.42Å; Q688-S690 PolarHBondContact O-N 2.95Å; Q688-S690 VanDerWaalsContact O-N 3.1Å
691	H	60.3	Low	78.7	Confident	140 Å²	140	38.8 Å²	38.8	65%	0.648	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-117.1	2.6	-179.7	-61.5	-43.8	0	0	0	112.8	Q688 D689	Q688-H691 PolarHBondContact O-N 2.9Å; D689-H691 PolarHBondContact O-N 3.45Å
692	D	71	Confident	78.9	Confident	58 Å²	58	38.5 Å²	38.5	31%	0.31	20%	0.201	S	C	.	.	S	Bend	trans	-79.6	147.6	175.6	-159.3	-39.1	0	0	0	109.8	L630 Q688 D689 H694	L630-D692 VanDerWaalsContact CD2-O 3.31Å; L630-D692 WeakPolarHBondContact CD2-O 3.49Å; Q688-D692 PolarHBondContact O-N 3.07Å; D689-D692 PolarHBondContact O-N 3.2Å; D692-H694 IonicContact OD1-CG 3.99Å; D692-H694 PolarHBondContact OD1-N 2.98Å; D692-H694 IonicContact OD1-ND1 2.88Å; D692-H694 PolarHBondContact OD1-ND1 3.14Å; D692-H694 VanDerWaalsContact OD1-ND1 3.12Å
693	T	80	Confident	79.1	Confident	67 Å²	67	38.3 Å²	38.3	41%	0.411	20%	0.2	S	C	.	.	S	Bend	trans	-73	-19.7	171	53.7	0	0	0	0	111.6	L630 T631 E634	L630-T693 HydrophobicContact CD1-CG2 4.21Å; T631-T693 VanDerWaalsContact CA-O 3.25Å; T631-T693 WeakPolarHBondContact CA-O 3.49Å; T631-T693 WeakPolarHBondContact CG2-O 3.48Å; E634-T693 VanDerWaalsContact CG-O 3.23Å; E634-T693 WeakPolarHBondContact CG-O 3.46Å
694	H	86.1	Confident	79.6	Confident	59 Å²	59	36 Å²	36	27%	0.273	19%	0.191	S	C	.	.	S	Bend	trans	-92.2	149.3	173.5	-56.1	81.6	0	0	0	111.3	E634 D692	E634-H694 IonicContact OE2-CD2 3.2Å; E634-H694 IonicContact OE2-NE2 3.69Å; D692-H694 IonicContact OD1-CG 3.99Å; D692-H694 PolarHBondContact OD1-N 2.98Å; D692-H694 IonicContact OD1-ND1 2.88Å; D692-H694 PolarHBondContact OD1-ND1 3.14Å; D692-H694 VanDerWaalsContact OD1-ND1 3.12Å
695	S	87.9	Confident	80.6	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-56	156.4	168.6	-86.7	0	0	0	0	112.7	F626 N635 Q700	F626-S695 WeakPolarHBondContact CE2-OG 3.4Å; N635-S695 PolarHBondContact ND2-OG 3.46Å; N635-S695 WeakPolarHBondContact OD1-CB 3.37Å; N635-S695 PolarHBondContact OD1-OG 3.03Å; S695-Q700 WeakPolarHBondContact O-CG 3.18Å; S695-Q700 PolarHBondContact O-NE2 2.7Å
696	P	87.4	Confident	81.6	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-53.2	150.2	165.2	-25.6	32.9	0	0	0	112.3	T624 D689 H698 L699 Q700	T624-P696 HydrophobicContact CG2-CB 4.39Å; T624-P696 HydrophobicContact CG2-CG 3.93Å; D689-P696 HydrophobicContact CB-CB 4.37Å; D689-P696 HydrophobicContact CB-CG 4.13Å; P696-H698 VanDerWaalsContact C-N 3.29Å; P696-H698 PolarHBondContact O-N 3.48Å; P696-H698 VanDerWaalsContact O-N 3.09Å; P696-L699 PolarHBondContact O-N 3.24Å; P696-Q700 PolarHBondContact O-N 3.35Å; P696-Q700 VanDerWaalsContact O-N 3.11Å
697	P	87.1	Confident	82.7	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.013	15%	0.151	C	C	.	.	H	α-helix	trans	-54	-37.8	-170.9	-30.2	36.1	0	0	0	115.7	F104 R683 Q700 V701	F104-P697 HydrophobicContact CE2-CB 3.88Å; F104-P697 HydrophobicContact CZ-CB 4.23Å; R683-P697 HydrophobicContact CB-CB 4.27Å; R683-P697 HydrophobicContact CB-CG 3.82Å; R683-P697 HydrophobicContact CG-CG 4.13Å; R683-P697 WeakPolarHBondContact O-CB 3.45Å; P697-Q700 PolarHBondContact O-N 3.17Å; P697-V701 PolarHBondContact O-N 3.33Å
698	H	89.4	Confident	84.1	Confident	14 Å²	14	24.8 Å²	24.8	7%	0.065	13%	0.127	C	C	.	.	H	α-helix	trans	-66.3	-36.9	178.4	71.8	-75.6	0	0	0	112.6	F104 P696 V701 H702	F104-H698 HydrophobicContact CB-CB 4.32Å; F104-H698 HydrophobicContact CD1-CB 4.17Å; F104-H698 HydrophobicContact CD2-CB 4.33Å; F104-H698 HydrophobicContact CG-CB 4Å; P696-H698 VanDerWaalsContact C-N 3.29Å; P696-H698 PolarHBondContact O-N 3.48Å; P696-H698 VanDerWaalsContact O-N 3.09Å; H698-V701 PolarHBondContact O-N 2.02Å; H698-H702 WeakPolarHBondContact O-CB 3.4Å; H698-H702 PolarHBondContact O-N 2.87Å
699	L	91.6	Very high	85.6	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-73.2	-36.7	176.4	-67.3	-168.8	0	0	0	111.8	Y615 F618 L620 F626 P696 V701 H702 G703	Y615-L699 HydrophobicContact CD1-CB 4.19Å; Y615-L699 HydrophobicContact CD1-CD1 4.34Å; Y615-L699 HydrophobicContact CE1-CB 4.3Å; F618-L699 HydrophobicContact CB-CD2 3.39Å; F618-L699 HydrophobicContact CD2-CD2 4.08Å; F618-L699 HydrophobicContact CG-CD2 3.95Å; L620-L699 HydrophobicContact CD2-CD1 3.97Å; L620-L699 HydrophobicContact CD2-CG 4.39Å; F626-L699 HydrophobicContact CD1-CD1 4.14Å; F626-L699 HydrophobicContact CD2-CD1 3.9Å; F626-L699 HydrophobicContact CE1-CD1 4.22Å; F626-L699 HydrophobicContact CE2-CD1 4Å; F626-L699 HydrophobicContact CG-CD1 3.98Å; F626-L699 HydrophobicContact CZ-CD1 4.16Å; P696-L699 PolarHBondContact O-N 3.24Å; L699-V701 PolarHBondContact O-N 2.94Å; L699-H702 PolarHBondContact O-N 3.45Å; L699-G703 PolarHBondContact O-N 3.19Å
700	Q	92.8	Very high	87.2	Confident	22 Å²	22	24 Å²	24	10%	0.103	13%	0.131	C	C	.	.	H	α-helix	trans	-58.6	-27.8	171.2	-67.4	-173.6	42.7	0	0	111.7	Y677 S695 P696 P697 P704	Y677-Q700 PolarHBondContact OH-O 3.48Å; S695-Q700 WeakPolarHBondContact O-CG 3.18Å; S695-Q700 PolarHBondContact O-NE2 2.7Å; P696-Q700 PolarHBondContact O-N 3.35Å; P696-Q700 VanDerWaalsContact O-N 3.11Å; P697-Q700 PolarHBondContact O-N 3.17Å; Q700-P704 WeakPolarHBondContact O-CD 3.25Å; Q700-P704 VanDerWaalsContact O-CG 3.28Å; Q700-P704 WeakPolarHBondContact O-CG 3.29Å
701	V	94.6	Very high	89	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-86.4	-54.1	173.5	175.1	0	0	0	0	111.9	F103 F104 A678 M681 P697 H698 L699 L705	F103-V701 HydrophobicContact CD1-CG1 4.02Å; F104-V701 HydrophobicContact CB-CB 4.36Å; F104-V701 HydrophobicContact CB-CG1 4.32Å; F104-V701 HydrophobicContact CD2-CB 4.25Å; F104-V701 HydrophobicContact CD2-CG2 3.87Å; A678-V701 HydrophobicContact CB-CG1 3.82Å; A678-V701 HydrophobicContact CB-CG2 4.12Å; M681-V701 HydrophobicContact CB-CG2 3.55Å; M681-V701 HydrophobicContact CG-CG2 3.99Å; P697-V701 PolarHBondContact O-N 3.33Å; H698-V701 PolarHBondContact O-N 2.02Å; L699-V701 PolarHBondContact O-N 2.94Å; V701-L705 HydrophobicContact CG1-CD1 3.56Å; V701-L705 WeakPolarHBondContact O-CB 3.46Å; V701-L705 WeakPolarHBondContact O-CD1 3.37Å; V701-L705 WeakPolarHBondContact O-CG 3.47Å; V701-L705 PolarHBondContact O-N 3.33Å
702	H	94.3	Very high	90.7	Very high	13 Å²	13	16.5 Å²	16.5	6%	0.06	10%	0.095	C	C	.	.	H	α-helix	trans	-70.9	-37.8	-170.8	-66	165.1	0	0	0	113.5	D102 F104 F618 H698 L699 L705 S706 L723	D102-H702 IonicContact OD1-CE1 3.37Å; D102-H702 PolarHBondContact OD1-CE1 2.9Å; D102-H702 IonicContact OD1-NE2 3.89Å; D102-H702 PolarHBondContact OD1-NE2 3.28Å; F104-H702 PolarHBondContact N-NE2 3.03Å; F618-H702 HydrophobicContact CD1-CB 3.8Å; F618-H702 AromaticContact CD1-ND1 3.75Å; F618-H702 HydrophobicContact CD2-CB 4.4Å; F618-H702 HydrophobicContact CE1-CB 3.52Å; F618-H702 HydrophobicContact CE2-CB 4.14Å; F618-H702 HydrophobicContact CG-CB 4.25Å; F618-H702 HydrophobicContact CZ-CB 3.71Å; H698-H702 WeakPolarHBondContact O-CB 3.4Å; H698-H702 PolarHBondContact O-N 2.87Å; L699-H702 PolarHBondContact O-N 3.45Å; H702-L705 PolarHBondContact O-N 3.44Å; H702-S706 WeakPolarHBondContact O-CB 3.31Å; H702-S706 PolarHBondContact O-N 2.98Å; H702-S706 PolarHBondContact O-OG 3.39Å; H702-L723 HydrophobicContact CB-CD2 3.83Å
703	G	93.3	Very high	91.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.2	-56.8	-179.3	0	0	0	0	0	112.6	L699 L705 S706 S707	L699-G703 PolarHBondContact O-N 3.19Å; G703-L705 PolarHBondContact O-N 3.47Å; G703-S706 PolarHBondContact O-N 2.89Å; G703-S706 PolarHBondContact O-OG 2.9Å; G703-S707 PolarHBondContact O-N 3.49Å; G703-S707 PolarHBondContact O-OG 3.41Å; G703-S707 VanDerWaalsContact O-OG 3.11Å
704	P	95.1	Very high	92.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.3	-39.2	176.4	-29.1	41	0	0	0	113.7	Y615 D638 V639 L642 Y677 Q700 S707 T708	Y615-P704 WeakPolarHBondContact OH-CD 3.02Å; D638-P704 HydrophobicContact CB-CG 3.64Å; V639-P704 HydrophobicContact CG2-CB 4.37Å; V639-P704 HydrophobicContact CG2-CG 4.13Å; L642-P704 HydrophobicContact CB-CB 4.13Å; L642-P704 HydrophobicContact CD2-CB 3.69Å; Y677-P704 HydrophobicContact CE1-CB 4.22Å; Y677-P704 VanDerWaalsContact OH-CG 3.26Å; Y677-P704 WeakPolarHBondContact OH-CG 3.01Å; Q700-P704 WeakPolarHBondContact O-CD 3.25Å; Q700-P704 VanDerWaalsContact O-CG 3.28Å; Q700-P704 WeakPolarHBondContact O-CG 3.29Å; P704-S707 PolarHBondContact O-N 3.35Å; P704-T708 WeakPolarHBondContact O-CB 3.43Å; P704-T708 PolarHBondContact O-N 2.86Å; P704-T708 PolarHBondContact O-OG1 3.4Å
705	L	95.3	Very high	93.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.7	-42.9	178.6	-67.1	175.8	0	0	0	112.5	F103 L642 F674 Y677 V701 H702 G703 S707 T708 F711 L723	F103-L705 HydrophobicContact CB-CD1 3.82Å; F103-L705 HydrophobicContact CD1-CD1 3.27Å; F103-L705 HydrophobicContact CE1-CD1 4Å; F103-L705 HydrophobicContact CG-CD1 3.7Å; L642-L705 HydrophobicContact CD2-CD2 3.8Å; L642-L705 HydrophobicContact CD2-CG 4.41Å; F674-L705 HydrophobicContact CB-CD2 4.3Å; F674-L705 HydrophobicContact CD1-CD2 3.43Å; F674-L705 VanDerWaalsContact CD1-CD2 3.43Å; F674-L705 HydrophobicContact CE1-CD2 4.14Å; F674-L705 HydrophobicContact CG-CD2 4.19Å; Y677-L705 HydrophobicContact CD1-CD2 4.41Å; V701-L705 HydrophobicContact CG1-CD1 3.56Å; V701-L705 WeakPolarHBondContact O-CB 3.46Å; V701-L705 WeakPolarHBondContact O-CD1 3.37Å; V701-L705 WeakPolarHBondContact O-CG 3.47Å; V701-L705 PolarHBondContact O-N 3.33Å; H702-L705 PolarHBondContact O-N 3.44Å; G703-L705 PolarHBondContact O-N 3.47Å; L705-S707 PolarHBondContact O-N 2.94Å; L705-T708 PolarHBondContact O-N 3.21Å; L705-F711 HydrophobicContact CB-CD1 4.08Å; L705-F711 HydrophobicContact CB-CD2 4.49Å; L705-F711 HydrophobicContact CB-CE1 4.38Å; L705-F711 HydrophobicContact CB-CG 4.15Å; L705-F711 HydrophobicContact CD1-CD2 4.39Å; L705-F711 HydrophobicContact CD1-CE2 4.06Å; L705-F711 HydrophobicContact CD1-CZ 4.25Å; L705-F711 HydrophobicContact CD2-CB 4.26Å; L705-F711 HydrophobicContact CD2-CD2 3.63Å; L705-F711 HydrophobicContact CD2-CE2 4.11Å; L705-F711 HydrophobicContact CD2-CG 3.92Å; L705-F711 HydrophobicContact CG-CD2 4.39Å; L705-L723 HydrophobicContact CB-CD2 4.38Å
706	S	93	Very high	93.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-30.4	176.3	72.9	0	0	0	0	112.4	H702 G703 T708 L722 P725	H702-S706 WeakPolarHBondContact O-CB 3.31Å; H702-S706 PolarHBondContact O-N 2.98Å; H702-S706 PolarHBondContact O-OG 3.39Å; G703-S706 PolarHBondContact O-N 2.89Å; G703-S706 PolarHBondContact O-OG 2.9Å; S706-T708 VanDerWaalsContact C-N 3.33Å; S706-L722 WeakPolarHBondContact CB-O 3.32Å; S706-P725 WeakPolarHBondContact O-CD 3.4Å
707	S	91.5	Very high	94	Very high	14 Å²	14	31 Å²	31	10%	0.098	14%	0.138	C	C	.	.	H	α-helix	trans	-82.2	-9.3	178.3	-57.7	0	0	0	0	113.1	G703 P704 L705 P709	G703-S707 PolarHBondContact O-N 3.49Å; G703-S707 PolarHBondContact O-OG 3.41Å; G703-S707 VanDerWaalsContact O-OG 3.11Å; P704-S707 PolarHBondContact O-N 3.35Å; L705-S707 PolarHBondContact O-N 2.94Å; S707-P709 WeakPolarHBondContact O-CD 3.35Å
708	T	93.2	Very high	94.4	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.037	17%	0.166	C	C	.	.			trans	-108.4	103.7	-173.7	-59.9	0	0	0	0	112.3	L646 F674 P704 L705 S706 A710 F711	L646-T708 HydrophobicContact CD2-CG2 3.72Å; F674-T708 HydrophobicContact CE1-CG2 4Å; F674-T708 HydrophobicContact CZ-CG2 4.22Å; P704-T708 WeakPolarHBondContact O-CB 3.43Å; P704-T708 PolarHBondContact O-N 2.86Å; P704-T708 PolarHBondContact O-OG1 3.4Å; L705-T708 PolarHBondContact O-N 3.21Å; S706-T708 VanDerWaalsContact C-N 3.33Å; T708-A710 HydrophobicContact CG2-CB 4.25Å; T708-A710 PolarHBondContact O-N 2.92Å; T708-A710 VanDerWaalsContact O-N 3.14Å; T708-F711 WeakPolarHBondContact O-CB 3.43Å; T708-F711 PolarHBondContact O-N 3.48Å
709	P	93.2	Very high	94.6	Very high	70 Å²	70	43.3 Å²	43.3	46%	0.455	20%	0.199	S	C	.	.	H	α-helix	trans	-59.6	-32.7	-175	-17.4	22.4	0	0	0	115	S707 F711 A712 R713 R728	S707-P709 WeakPolarHBondContact O-CD 3.35Å; P709-F711 VanDerWaalsContact C-N 3.25Å; P709-F711 PolarHBondContact O-N 2.93Å; P709-A712 PolarHBondContact O-N 2.92Å; P709-R713 PolarHBondContact O-N 3.15Å; P709-R713 VanDerWaalsContact O-N 3.14Å; P709-R728 VanDerWaalsContact CA-CZ 3.43Å; P709-R728 VanDerWaalsContact CB-CZ 3.47Å
710	A	95.3	Very high	94.5	Very high	13 Å²	13	45.6 Å²	45.6	11%	0.107	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-36.6	178.9	0	0	0	0	0	112	L646 F674 T708 R713 Y714	L646-A710 HydrophobicContact CD2-CB 3.48Å; L646-A710 VanDerWaalsContact CD2-CB 3.48Å; F674-A710 HydrophobicContact CZ-CB 4.17Å; T708-A710 HydrophobicContact CG2-CB 4.25Å; T708-A710 PolarHBondContact O-N 2.92Å; T708-A710 VanDerWaalsContact O-N 3.14Å; A710-R713 PolarHBondContact O-N 2.95Å; A710-Y714 HydrophobicContact CB-CD2 4.21Å; A710-Y714 HydrophobicContact CB-CE2 3.95Å; A710-Y714 WeakPolarHBondContact O-CD2 3.35Å; A710-Y714 PolarHBondContact O-N 3.27Å
711	F	96.8	Very high	94.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.3	-57.1	177.3	170.6	-101.2	0	0	0	110.8	F103 F674 L705 T708 P709 R713 Y714 F715 L723	F103-F711 HydrophobicContact CB-CZ 4.1Å; F103-F711 HydrophobicContact CD1-CE2 4.24Å; F103-F711 AromaticContact CD2-CE2 3.5Å; F103-F711 HydrophobicContact CD2-CE2 3.5Å; F103-F711 VanDerWaalsContact CD2-CE2 3.5Å; F103-F711 AromaticContact CD2-CZ 3.53Å; F103-F711 HydrophobicContact CD2-CZ 3.53Å; F103-F711 HydrophobicContact CE1-CE2 4.28Å; F103-F711 AromaticContact CE2-CE2 3.58Å; F103-F711 HydrophobicContact CE2-CE2 3.58Å; F103-F711 HydrophobicContact CE2-CZ 4.08Å; F103-F711 AromaticContact CG-CE2 3.84Å; F103-F711 HydrophobicContact CG-CE2 3.84Å; F103-F711 AromaticContact CG-CZ 3.81Å; F103-F711 HydrophobicContact CG-CZ 3.81Å; F103-F711 AromaticContact CZ-CE2 3.97Å; F103-F711 HydrophobicContact CZ-CE2 3.97Å; F674-F711 HydrophobicContact CB-CD2 4.07Å; F674-F711 HydrophobicContact CB-CE2 4.45Å; F674-F711 HydrophobicContact CD1-CB 4.16Å; F674-F711 AromaticContact CD1-CD2 3.97Å; F674-F711 HydrophobicContact CD1-CD2 3.97Å; F674-F711 HydrophobicContact CD2-CD2 4.12Å; F674-F711 HydrophobicContact CE1-CB 3.82Å; F674-F711 HydrophobicContact CE1-CD2 4.46Å; F674-F711 HydrophobicContact CE2-CB 4.34Å; F674-F711 AromaticContact CG-CD2 3.77Å; F674-F711 HydrophobicContact CG-CD2 3.77Å; F674-F711 HydrophobicContact CZ-CB 3.92Å; L705-F711 HydrophobicContact CB-CD1 4.08Å; L705-F711 HydrophobicContact CB-CD2 4.49Å; L705-F711 HydrophobicContact CB-CE1 4.38Å; L705-F711 HydrophobicContact CB-CG 4.15Å; L705-F711 HydrophobicContact CD1-CD2 4.39Å; L705-F711 HydrophobicContact CD1-CE2 4.06Å; L705-F711 HydrophobicContact CD1-CZ 4.25Å; L705-F711 HydrophobicContact CD2-CB 4.26Å; L705-F711 HydrophobicContact CD2-CD2 3.63Å; L705-F711 HydrophobicContact CD2-CE2 4.11Å; L705-F711 HydrophobicContact CD2-CG 3.92Å; L705-F711 HydrophobicContact CG-CD2 4.39Å; T708-F711 WeakPolarHBondContact O-CB 3.43Å; T708-F711 PolarHBondContact O-N 3.48Å; P709-F711 VanDerWaalsContact C-N 3.25Å; P709-F711 PolarHBondContact O-N 2.93Å; F711-R713 PolarHBondContact O-N 3.41Å; F711-Y714 PolarHBondContact O-N 2.81Å; F711-Y714 VanDerWaalsContact O-N 3.11Å; F711-F715 AromaticContact CD2-CD2 3.48Å; F711-F715 HydrophobicContact CD2-CD2 3.48Å; F711-F715 VanDerWaalsContact CD2-CD2 3.48Å; F711-F715 AromaticContact CD2-CE2 3.78Å; F711-F715 HydrophobicContact CD2-CE2 3.78Å; F711-F715 HydrophobicContact CD2-CG 4.48Å; F711-F715 AromaticContact CE2-CD2 3.31Å; F711-F715 HydrophobicContact CE2-CD2 3.31Å; F711-F715 AromaticContact CE2-CE2 3.58Å; F711-F715 HydrophobicContact CE2-CE2 3.58Å; F711-F715 AromaticContact CE2-CG 4Å; F711-F715 HydrophobicContact CE2-CG 4Å; F711-F715 HydrophobicContact CE2-CZ 4.46Å; F711-F715 HydrophobicContact CG-CD2 4.36Å; F711-F715 HydrophobicContact CZ-CB 4.47Å; F711-F715 HydrophobicContact CZ-CD2 4.04Å; F711-F715 HydrophobicContact CZ-CG 4.32Å; F711-F715 PolarHBondContact O-N 3Å; F711-L723 HydrophobicContact CE1-CB 3.88Å; F711-L723 HydrophobicContact CE1-CD1 4.03Å; F711-L723 HydrophobicContact CE1-CG 4.47Å; F711-L723 HydrophobicContact CZ-CD1 4.26Å
712	A	96.1	Very high	94.2	Very high	6 Å²	6	50.2 Å²	50.2	5%	0.05	25%	0.253	C	S	.	.	H	α-helix	trans	-57.8	-35	179.9	0	0	0	0	0	112.4	P709 R716 C717 N724	P709-A712 PolarHBondContact O-N 2.92Å; A712-R716 CarbonylContact O-C 3.51Å; A712-R716 VanDerWaalsContact O-CA 3.24Å; A712-R716 WeakPolarHBondContact O-CA 3.49Å; A712-R716 PolarHBondContact O-N 3.35Å; A712-C717 HydrophobicContact CB-CB 4.07Å; A712-C717 PolarHBondContact O-N 3.43Å; A712-N724 HydrophobicContact CB-CB 3.67Å; A712-N724 WeakPolarHBondContact CB-OD1 3.32Å
713	R	96.6	Very high	94.1	Very high	165 Å²	165	49.6 Å²	49.6	62%	0.623	25%	0.25	S	C	*	.	H	α-helix	trans	-67.3	-47.6	175.4	-178.7	177.9	58.5	-178.1	-4.2	112.5	P709 A710 F711 R716	P709-R713 PolarHBondContact O-N 3.15Å; P709-R713 VanDerWaalsContact O-N 3.14Å; A710-R713 PolarHBondContact O-N 2.95Å; F711-R713 PolarHBondContact O-N 3.41Å; R713-R716 PolarHBondContact O-N 2.9Å
714	Y	96.4	Very high	94.2	Very high	66 Å²	66	50.6 Å²	50.6	26%	0.259	26%	0.255	S	S	.	.	H	α-helix	trans	-74.5	-25.4	-176.8	-67.8	-59.8	0	0	0	113.5	Q670 Q671 F674 A710 F711	Q670-Y714 HydrophobicContact CB-CD1 3.91Å; Q670-Y714 HydrophobicContact CB-CD2 3.73Å; Q670-Y714 HydrophobicContact CB-CE1 3.86Å; Q670-Y714 HydrophobicContact CB-CE2 3.65Å; Q670-Y714 HydrophobicContact CB-CG 3.86Å; Q670-Y714 HydrophobicContact CG-CD1 4.35Å; Q670-Y714 HydrophobicContact CG-CD2 4.44Å; Q670-Y714 HydrophobicContact CG-CE1 3.8Å; Q670-Y714 HydrophobicContact CG-CE2 3.87Å; Q671-Y714 PolarHBondContact NE2-O 2.89Å; F674-Y714 AromaticContact CE2-CD2 3.83Å; F674-Y714 HydrophobicContact CE2-CD2 3.83Å; A710-Y714 HydrophobicContact CB-CD2 4.21Å; A710-Y714 HydrophobicContact CB-CE2 3.95Å; A710-Y714 WeakPolarHBondContact O-CD2 3.35Å; A710-Y714 PolarHBondContact O-N 3.27Å; F711-Y714 PolarHBondContact O-N 2.81Å; F711-Y714 VanDerWaalsContact O-N 3.11Å
715	F	96.4	Very high	94	Very high	20 Å²	20	51.7 Å²	51.7	9%	0.088	26%	0.262	C	S	.	.	H	α-helix	trans	-100	0.5	173.9	-72.2	-83.8	0	0	0	113.9	P99 C100 F103 F106 Q671 F674 F711 C717	P99-F715 HydrophobicContact CB-CD1 3.56Å; P99-F715 HydrophobicContact CB-CE1 3.97Å; P99-F715 HydrophobicContact CB-CG 4.25Å; P99-F715 HydrophobicContact CG-CD1 3.57Å; P99-F715 HydrophobicContact CG-CE1 4.22Å; P99-F715 HydrophobicContact CG-CG 4.42Å; C100-F715 PolarHBondContact SG-O 3.45Å; F103-F715 HydrophobicContact CE2-CD1 4.3Å; F103-F715 HydrophobicContact CE2-CD2 4.41Å; F103-F715 AromaticContact CE2-CE1 3.72Å; F103-F715 HydrophobicContact CE2-CE1 3.72Å; F103-F715 AromaticContact CE2-CE2 3.85Å; F103-F715 HydrophobicContact CE2-CE2 3.85Å; F103-F715 AromaticContact CE2-CZ 3.47Å; F103-F715 HydrophobicContact CE2-CZ 3.47Å; F103-F715 VanDerWaalsContact CE2-CZ 3.47Å; F103-F715 HydrophobicContact CZ-CE1 4.44Å; F103-F715 HydrophobicContact CZ-CE2 4.1Å; F103-F715 AromaticContact CZ-CZ 3.78Å; F103-F715 HydrophobicContact CZ-CZ 3.78Å; F106-F715 HydrophobicContact CE1-CE1 4.49Å; Q671-F715 HydrophobicContact CB-CE1 4.17Å; Q671-F715 HydrophobicContact CB-CE2 4.12Å; Q671-F715 HydrophobicContact CB-CZ 3.61Å; Q671-F715 HydrophobicContact CG-CD1 4.47Å; Q671-F715 HydrophobicContact CG-CD2 4.45Å; Q671-F715 HydrophobicContact CG-CE1 3.98Å; Q671-F715 HydrophobicContact CG-CE2 3.94Å; Q671-F715 HydrophobicContact CG-CZ 3.69Å; F674-F715 HydrophobicContact CB-CE2 3.99Å; F674-F715 AromaticContact CD2-CE2 3.96Å; F674-F715 HydrophobicContact CD2-CE2 3.96Å; F674-F715 HydrophobicContact CG-CE2 4.3Å; F711-F715 AromaticContact CD2-CD2 3.48Å; F711-F715 HydrophobicContact CD2-CD2 3.48Å; F711-F715 VanDerWaalsContact CD2-CD2 3.48Å; F711-F715 AromaticContact CD2-CE2 3.78Å; F711-F715 HydrophobicContact CD2-CE2 3.78Å; F711-F715 HydrophobicContact CD2-CG 4.48Å; F711-F715 AromaticContact CE2-CD2 3.31Å; F711-F715 HydrophobicContact CE2-CD2 3.31Å; F711-F715 AromaticContact CE2-CE2 3.58Å; F711-F715 HydrophobicContact CE2-CE2 3.58Å; F711-F715 AromaticContact CE2-CG 4Å; F711-F715 HydrophobicContact CE2-CG 4Å; F711-F715 HydrophobicContact CE2-CZ 4.46Å; F711-F715 HydrophobicContact CG-CD2 4.36Å; F711-F715 HydrophobicContact CZ-CB 4.47Å; F711-F715 HydrophobicContact CZ-CD2 4.04Å; F711-F715 HydrophobicContact CZ-CG 4.32Å; F711-F715 PolarHBondContact O-N 3Å; F715-C717 PolarHBondContact O-N 2.96Å
716	R	96.4	Very high	93.7	Very high	227 Å²	227	55.6 Å²	55.6	86%	0.857	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	44.7	178.3	-55.1	179.4	-177.9	169.7	0.4	113.4	A712 R713	A712-R716 CarbonylContact O-C 3.51Å; A712-R716 VanDerWaalsContact O-CA 3.24Å; A712-R716 WeakPolarHBondContact O-CA 3.49Å; A712-R716 PolarHBondContact O-N 3.35Å; R713-R716 PolarHBondContact O-N 2.9Å
717	C	96.4	Very high	93.3	Very high	10 Å²	10	59.3 Å²	59.3	7%	0.068	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-74.6	133.9	179.9	-53.7	0	0	0	0	111.6	C100 A712 F715 N724	C100-C717 VanDerWaalsContact CA-SG 3.53Å; C100-C717 HydrophobicContact CB-CB 3.64Å; C100-C717 WeakPolarHBondContact CB-SG 3.22Å; C100-C717 WeakPolarHBondContact SG-CA 3.43Å; C100-C717 WeakPolarHBondContact SG-CB 3.48Å; C100-C717 PolarHBondContact SG-N 3.37Å; C100-C717 VanDerWaalsContact SG-N 3.44Å; C100-C717 CovalentContact SG-SG 2.04Å; C100-C717 PolarHBondContact SG-SG 3.17Å; A712-C717 HydrophobicContact CB-CB 4.07Å; A712-C717 PolarHBondContact O-N 3.43Å; F715-C717 PolarHBondContact O-N 2.96Å; C717-N724 HydrophobicContact CB-CB 4Å; C717-N724 PolarHBondContact O-ND2 3.26Å
718	A	95.3	Very high	92.9	Very high	72 Å²	72	62.4 Å²	62.4	60%	0.595	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-60.9	141.9	178.5	0	0	0	0	0	111.6	G720 A721 N724	A718-G720 PolarHBondContact O-N 2.88Å; A718-A721 VanDerWaalsContact O-CB 3.31Å; A718-A721 WeakPolarHBondContact O-CB 3.47Å; A718-A721 PolarHBondContact O-N 3.18Å; A718-N724 WeakPolarHBondContact O-CB 3.43Å; A718-N724 PolarHBondContact O-ND2 3.47Å
719	R	94.1	Very high	92.6	Very high	202 Å²	202	63 Å²	63	76%	0.762	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	135.1	175.5	-174.9	179.5	-179.2	177.1	1.8	109.8	A721	R719-A721 VanDerWaalsContact C-N 3.34Å
720	G	89.1	Confident	92	Very high	50 Å²	50	66.3 Å²	66.3	52%	0.515	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	-5.7	-177.5	0	0	0	0	0	114.3	A718 N724	A718-G720 PolarHBondContact O-N 2.88Å; G720-N724 PolarHBondContact N-O 2.93Å
721	A	91	Very high	91.6	Very high	33 Å²	33	65.9 Å²	65.9	27%	0.273	34%	0.335	S	S	.	.	S	Bend	trans	-66.5	158.2	167.5	0	0	0	0	0	111	A718 R719 L723 N724 P725	A718-A721 VanDerWaalsContact O-CB 3.31Å; A718-A721 WeakPolarHBondContact O-CB 3.47Å; A718-A721 PolarHBondContact O-N 3.18Å; R719-A721 VanDerWaalsContact C-N 3.34Å; A721-L723 VanDerWaalsContact C-N 3.25Å; A721-L723 PolarHBondContact O-N 3.45Å; A721-N724 CarbonylContact O-C 3.42Å; A721-N724 WeakPolarHBondContact O-CA 3.31Å; A721-N724 PolarHBondContact O-N 2.92Å; A721-P725 VanDerWaalsContact O-N 3.16Å
722	L	89.7	Confident	91.3	Very high	86 Å²	86	67.1 Å²	67.1	45%	0.45	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-38.8	179.1	-70.4	174.5	0	0	0	112.9	A617 F618 S706 N724	A617-L722 HydrophobicContact CB-CD2 4.28Å; F618-L722 HydrophobicContact CD1-CB 4.41Å; F618-L722 HydrophobicContact CD1-CD1 4.42Å; F618-L722 HydrophobicContact CE1-CB 3.81Å; F618-L722 HydrophobicContact CZ-CB 4.49Å; S706-L722 WeakPolarHBondContact CB-O 3.32Å; L722-N724 VanDerWaalsContact C-N 3.32Å
723	L	93	Very high	91	Very high	1 Å²	1	70.2 Å²	70.2	1%	0.005	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	5.9	176.3	-62.3	176.9	0	0	0	114	P99 F103 F618 H702 L705 F711 A721	P99-L723 WeakPolarHBondContact O-CD1 3.32Å; F103-L723 HydrophobicContact CB-CD1 3.96Å; F618-L723 HydrophobicContact CE1-CD2 3.99Å; F618-L723 HydrophobicContact CZ-CD2 4.18Å; H702-L723 HydrophobicContact CB-CD2 3.83Å; L705-L723 HydrophobicContact CB-CD2 4.38Å; F711-L723 HydrophobicContact CE1-CB 3.88Å; F711-L723 HydrophobicContact CE1-CD1 4.03Å; F711-L723 HydrophobicContact CE1-CG 4.47Å; F711-L723 HydrophobicContact CZ-CD1 4.26Å; A721-L723 VanDerWaalsContact C-N 3.25Å; A721-L723 PolarHBondContact O-N 3.45Å
724	N	94.6	Very high	90.7	Very high	20 Å²	20	65.2 Å²	65.2	11%	0.107	34%	0.339	C	S	.	.	S	Bend	trans	-147.3	62.2	171.8	-171.6	25.6	0	0	0	111	A712 C717 A718 G720 A721 L722 R728	A712-N724 HydrophobicContact CB-CB 3.67Å; A712-N724 WeakPolarHBondContact CB-OD1 3.32Å; C717-N724 HydrophobicContact CB-CB 4Å; C717-N724 PolarHBondContact O-ND2 3.26Å; A718-N724 WeakPolarHBondContact O-CB 3.43Å; A718-N724 PolarHBondContact O-ND2 3.47Å; G720-N724 PolarHBondContact N-O 2.93Å; A721-N724 CarbonylContact O-C 3.42Å; A721-N724 WeakPolarHBondContact O-CA 3.31Å; A721-N724 PolarHBondContact O-N 2.92Å; L722-N724 VanDerWaalsContact C-N 3.32Å; N724-R728 PolarHBondContact OD1-NH2 3.06Å
725	P	91.6	Very high	90.4	Very high	23 Å²	23	65.1 Å²	65.1	15%	0.149	34%	0.344	C	S	.	.			trans	-63.4	152.8	-177.3	27.3	-34.3	0	0	0	111.3	H614 S706 A721 S727	H614-P725 VanDerWaalsContact CE1-CG 3.49Å; H614-P725 WeakPolarHBondContact CE1-CG 3.27Å; S706-P725 WeakPolarHBondContact O-CD 3.4Å; A721-P725 VanDerWaalsContact O-N 3.16Å; P725-S727 VanDerWaalsContact C-N 3.3Å; P725-S727 WeakPolarHBondContact CG-O 3.32Å; P725-S727 PolarHBondContact O-N 3.48Å
726	S	87.9	Confident	90.1	Very high	83 Å²	83	67.8 Å²	67.8	58%	0.58	36%	0.359	S	S	*	.	S	Bend	trans	-68.4	-29.5	-178.3	-69.6	0	0	0	0	113.2
727	S	85.8	Confident	89.7	Confident	79 Å²	79	57.8 Å²	57.8	55%	0.552	33%	0.328	S	S	*	.	S	Bend	trans	-108.9	151.5	172.4	53.3	0	0	0	0	109.9	H614 P725	H614-S727 PolarHBondContact CE1-O 3.24Å; H614-S727 VanDerWaalsContact CE1-O 3.22Å; H614-S727 PolarHBondContact NE2-O 2.93Å; P725-S727 VanDerWaalsContact C-N 3.3Å; P725-S727 WeakPolarHBondContact CG-O 3.32Å; P725-S727 PolarHBondContact O-N 3.48Å
728	R	83	Confident	89.2	Confident	79 Å²	79	61 Å²	61	30%	0.298	35%	0.345	S	S	.	.			trans	-133.4	145.5	179.6	-61.4	175.1	-173	-91.6	-2.2	110.1	P709 N724	P709-R728 VanDerWaalsContact CA-CZ 3.43Å; P709-R728 VanDerWaalsContact CB-CZ 3.47Å; N724-R728 PolarHBondContact OD1-NH2 3.06Å
729	C	85.1	Confident	88.8	Confident	18 Å²	18	60.2 Å²	60.2	12%	0.122	33%	0.327	C	S	.	.			trans	-80.4	133.4	-179.4	-48.3	0	0	0	0	110.5	C610 L611	C610-C729 HydrophobicContact CB-CB 3.75Å; C610-C729 WeakPolarHBondContact CB-SG 3.29Å; C610-C729 PolarHBondContact O-SG 3.34Å; C610-C729 VanDerWaalsContact O-SG 3.39Å; C610-C729 WeakPolarHBondContact SG-CA 3.26Å; C610-C729 WeakPolarHBondContact SG-CB 3.44Å; C610-C729 PolarHBondContact SG-N 3.3Å; C610-C729 VanDerWaalsContact SG-N 3.36Å; C610-C729 CovalentContact SG-SG 2.05Å; C610-C729 PolarHBondContact SG-SG 3.5Å; L611-C729 PolarHBondContact N-SG 3.35Å
730	Q	81.3	Confident	88.4	Confident	140 Å²	140	49.3 Å²	49.3	65%	0.654	29%	0.294	S	S	*	.			trans	-110.1	73.4	179.6	-64.4	-173.2	4	0	0	109.5
731	L	87.6	Confident	88.3	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	28%	0.276	C	S	.	.			trans	-98.7	-53.9	174.3	-174.7	63.1	0	0	0	111.6	W459 L591 L604 A607 A636	W459-L731 PolarHBondContact NE1-O 3.49Å; L591-L731 HydrophobicContact CD2-CD1 3.97Å; L604-L731 HydrophobicContact CD1-CD1 3.69Å; A607-L731 HydrophobicContact CB-CB 4.14Å; A607-L731 HydrophobicContact CB-CD1 3.97Å; A636-L731 HydrophobicContact CB-CD2 3.48Å; A636-L731 VanDerWaalsContact CB-CD2 3.48Å
732	W	89.3	Confident	88.1	Confident	25 Å²	25	50.7 Å²	50.7	10%	0.095	28%	0.276	C	S	.	.			trans	-108.3	0	179.4	-61.5	114.5	0	0	0	111.7	R453 L457 W459 L584 F587 L591 A636	R453-W732 VanDerWaalsContact CD-OXT 3.27Å; R453-W732 WeakPolarHBondContact CD-OXT 3.25Å; R453-W732 VanDerWaalsContact CG-OXT 3.23Å; R453-W732 WeakPolarHBondContact CG-OXT 3.32Å; R453-W732 VanDerWaalsContact CZ-OXT 3.32Å; R453-W732 PolarHBondContact NE-O 2.88Å; R453-W732 PolarHBondContact NE-OXT 3.48Å; R453-W732 VanDerWaalsContact NH2-C 3.33Å; R453-W732 PolarHBondContact NH2-O 2.8Å; R453-W732 PolarHBondContact NH2-OXT 2.91Å; L457-W732 HydrophobicContact CD1-CE3 4.22Å; L457-W732 HydrophobicContact CD1-CZ3 4.41Å; L457-W732 WeakPolarHBondContact CD2-OXT 3.28Å; W459-W732 HydrophobicContact CZ2-CH2 4.48Å; W459-W732 HydrophobicContact CZ2-CZ3 4.04Å; L584-W732 HydrophobicContact CB-CZ2 4.29Å; L584-W732 HydrophobicContact CD1-CD2 4.39Å; L584-W732 HydrophobicContact CD1-CG 4.47Å; L584-W732 HydrophobicContact CD2-CD2 3.81Å; L584-W732 HydrophobicContact CD2-CE3 3.78Å; L584-W732 HydrophobicContact CD2-CH2 3.85Å; L584-W732 HydrophobicContact CD2-CZ2 3.81Å; L584-W732 HydrophobicContact CD2-CZ3 3.81Å; L584-W732 HydrophobicContact CG-CZ2 4.43Å; F587-W732 HydrophobicContact CB-CH2 3.74Å; F587-W732 HydrophobicContact CB-CZ3 4.4Å; F587-W732 HydrophobicContact CD2-CH2 4.12Å; F587-W732 HydrophobicContact CD2-CZ3 4.19Å; F587-W732 HydrophobicContact CG-CH2 4.27Å; L591-W732 HydrophobicContact CD1-CH2 4.33Å; L591-W732 HydrophobicContact CD1-CZ2 3.79Å; L591-W732 HydrophobicContact CD2-CH2 4.36Å; L591-W732 HydrophobicContact CD2-CZ2 4.41Å; L591-W732 HydrophobicContact CG-CZ2 4.46Å; A636-W732 PolarHBondContact O-NE1 3.44Å

Retrieved 732 of 732 residues in 784.6 ms (Link to these results)

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