A0A3Q0KDM0_SCHMA Loading...

GTP cyclohydrolase 1

AlphaFold DB , UniProt , Accession A0A3Q0KDM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 459 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	30.6	Very low	31.2	Very low	247 Å²	247	170.1 Å²	170.1	100%	1.217	86%	0.855	S	S	*	*				0	140	0	-58.9	168.5	179.7	0	0	106.5
2	L	33.5	Very low	31.1	Very low	166 Å²	166	170.2 Å²	170.2	87%	0.869	85%	0.854	S	S	*	*			cis	-100.6	166	5.7	-66.2	125.9	0	0	0	112.7
3	R	26.4	Very low	31.3	Very low	237 Å²	237	167.2 Å²	167.2	89%	0.894	84%	0.842	S	S	*	*			trans	-110.8	131.3	165.1	-74.6	177.1	172.6	168.5	-4.1	107.8
4	Y	33.3	Very low	31.4	Very low	234 Å²	234	165.1 Å²	165.1	92%	0.918	83%	0.834	S	S	*	*			trans	-141.5	118.6	148.3	-98	-78.4	0	0	0	108
5	S	32.7	Very low	31.5	Very low	107 Å²	107	163.5 Å²	163.5	75%	0.748	83%	0.829	S	S	*	*			trans	-105.2	121.1	-175.9	49.3	0	0	0	0	110
6	V	29	Very low	31.7	Very low	145 Å²	145	165.6 Å²	165.6	88%	0.879	83%	0.831	S	S	*	*			trans	-82.5	127.1	160.1	179.4	0	0	0	0	107.2
7	L	32.8	Very low	31.6	Very low	148 Å²	148	163.4 Å²	163.4	78%	0.775	83%	0.828	S	S	*	*			trans	-118	107.8	179.1	-162	77.1	0	0	0	110.9
8	H	33.6	Very low	31.7	Very low	164 Å²	164	165.7 Å²	165.7	76%	0.759	83%	0.831	S	S	*	*			trans	37.7	113.8	151.6	-64.4	83	0	0	0	120.2
9	V	28	Very low	31.6	Very low	136 Å²	136	166.6 Å²	166.6	82%	0.824	83%	0.832	S	S	*	*			trans	-62.6	140.4	144.4	173.3	0	0	0	0	109.6
10	L	31	Very low	31.6	Very low	150 Å²	150	168.2 Å²	168.2	79%	0.785	84%	0.837	S	S	*	*			trans	-178.1	149.9	139.1	-101.3	171	0	0	0	112
11	N	32.6	Very low	31.5	Very low	137 Å²	137	165.7 Å²	165.7	73%	0.733	84%	0.836	S	S	*	*			trans	58.5	127.3	-177.1	-62.6	-3.1	0	0	0	115.5
12	M	29.5	Very low	31.6	Very low	171 Å²	171	162 Å²	162	84%	0.842	82%	0.82	S	S	*	*			cis	80.4	134.1	38.5	-62.4	-160.6	112.8	0	0	115.8
13	N	34	Very low	31.7	Very low	132 Å²	132	160 Å²	160	71%	0.706	82%	0.817	S	S	*	*			trans	70	98.7	170.7	-65.5	22.1	0	0	0	118.5
14	D	33.5	Very low	31.9	Very low	137 Å²	137	154.5 Å²	154.5	73%	0.733	81%	0.81	S	S	*	*				65.9	121.8	119.4	-68.8	-11.2	0	0	0	122.8
15	N	32.3	Very low	31.8	Very low	141 Å²	141	150.1 Å²	150.1	75%	0.754	80%	0.802	S	S	*	*			trans	84.2	138	138.8	-80.2	-58.4	0	0	0	121.3
16	K	35.1	Very low	31.9	Very low	197 Å²	197	150.8 Å²	150.8	86%	0.857	81%	0.807	S	S	*	*			trans	70.5	86.5	161.6	-68.9	175.9	-180	174	0	118.2
17	V	28.9	Very low	32	Very low	129 Å²	129	150.5 Å²	150.5	78%	0.782	80%	0.8	S	S	*	*			trans	-29.4	130.4	144.4	177.7	0	0	0	0	113.1
18	K	34.1	Very low	31.9	Very low	204 Å²	204	152.7 Å²	152.7	89%	0.887	81%	0.808	S	S	*	*			trans	-153.5	121.1	145.9	-112.2	175.5	-177.4	-177.2	0	109.6
19	H	29	Very low	31.7	Very low	183 Å²	183	150.2 Å²	150.2	85%	0.847	81%	0.805	S	S	*	*			trans	-73.7	139.4	172.3	-79	-97.1	0	0	0	110.6
20	Q	32.2	Very low	31.9	Very low	198 Å²	198	151.9 Å²	151.9	93%	0.925	81%	0.806	S	S	*	*			trans	-146.1	141.7	154.7	-115.3	170.9	-5.9	0	0	109.8
21	S	29.5	Very low	32	Very low	117 Å²	117	149.6 Å²	149.6	82%	0.818	80%	0.802	S	S	*	*			trans	-90.7	154.3	-172.1	46.3	0	0	0	0	112.4
22	L	33.6	Very low	31.8	Very low	169 Å²	169	149 Å²	149	89%	0.885	81%	0.806	S	S	*	*			trans	-122.1	147.1	166.3	-79.2	169	0	0	0	110.2
23	P	35.2	Very low	32	Very low	123 Å²	123	147.2 Å²	147.2	80%	0.799	81%	0.805	S	S	*	*			trans	-86.2	173.9	-164.1	34.9	-37.8	0	0	0	114.8
24	T	29.4	Very low	31.9	Very low	122 Å²	122	149.9 Å²	149.9	75%	0.748	81%	0.813	S	S	*	*			trans	-90.9	172.1	-172.9	49.1	0	0	0	0	114.7
25	N	32.8	Very low	31.9	Very low	142 Å²	142	153 Å²	153	76%	0.759	83%	0.825	S	S	*	*			trans	85.3	105.5	160.4	-58.4	-17.7	0	0	0	119.2
26	S	34.8	Very low	32.1	Very low	121 Å²	121	153.8 Å²	153.8	85%	0.846	83%	0.83	S	S	*	*				-147.5	140	117.2	-170.1	0	0	0	0	109.7
27	L	29.2	Very low	31.9	Very low	140 Å²	140	149.5 Å²	149.5	73%	0.733	82%	0.822	S	S	*	*			trans	-95.4	137.1	177.8	-91	72.3	0	0	0	110.7
28	M	32.4	Very low	32	Very low	193 Å²	193	149 Å²	149	95%	0.951	82%	0.824	S	S	*	*			trans	-137.3	145.9	144.8	-78.5	-163.3	166	0	0	109.4
29	T	28.9	Very low	31.8	Very low	112 Å²	112	150.6 Å²	150.6	69%	0.687	83%	0.827	S	S	*	*			trans	-125.9	178.5	-170	48.7	0	0	0	0	111.3
30	M	31.2	Very low	31.9	Very low	172 Å²	172	149.8 Å²	149.8	85%	0.847	83%	0.827	S	S	*	*			trans	80	134.6	-173.7	-49.9	-79	88.5	0	0	114.2
31	S	33	Very low	31.9	Very low	102 Å²	102	147.9 Å²	147.9	71%	0.713	82%	0.822	S	S	*	*			cis	-150.3	160	-11.8	55.7	0	0	0	0	110.5
32	P	29.5	Very low	32.1	Very low	123 Å²	123	150 Å²	150	80%	0.799	82%	0.823	S	S	*	*			trans	-104.5	119.5	-168.3	36.1	-29.4	0	0	0	114.8
33	T	33.8	Very low	32	Very low	134 Å²	134	150.9 Å²	150.9	82%	0.822	82%	0.82	S	S	*	*			trans	-144.3	146.4	157.5	35.3	0	0	0	0	110.3
34	E	32.1	Very low	31.7	Very low	189 Å²	189	150.8 Å²	150.8	88%	0.883	81%	0.813	S	S	*	*			trans	57.3	78.5	168.5	-60.8	-175.2	-175.1	0	0	118.3
35	M	33.3	Very low	31.9	Very low	201 Å²	201	153 Å²	153	99%	0.99	82%	0.82	S	S	*	*			trans	-149.3	140.8	143.8	-112.1	176.2	-161.6	0	0	112.3
36	N	36.2	Very low	31.8	Very low	159 Å²	159	152.1 Å²	152.1	85%	0.85	82%	0.815	S	S	*	*			trans	-97.6	138.7	-170.2	-158.2	24	0	0	0	110.6
37	P	29.9	Very low	31.6	Very low	107 Å²	107	154.6 Å²	154.6	70%	0.695	81%	0.814	S	S	*	*			trans	-91.2	134.1	-167.6	34	-32.2	0	0	0	113.7
38	S	31.5	Very low	31.8	Very low	118 Å²	118	155.2 Å²	155.2	83%	0.825	81%	0.814	S	S	*	*			trans	-165.3	57.1	165.9	-82.9	0	0	0	0	112
39	Y	31.2	Very low	31.8	Very low	238 Å²	238	152.9 Å²	152.9	93%	0.933	81%	0.806	S	S	*	*			trans	-151.9	102.4	163.5	-117.4	-79.6	0	0	0	110.4
40	L	29.8	Very low	31.8	Very low	165 Å²	165	154.9 Å²	154.9	86%	0.864	81%	0.813	S	S	*	*			trans	-150.1	161.9	175.5	-97.3	172.4	0	0	0	108.5
41	I	33.2	Very low	31.9	Very low	158 Å²	158	152.7 Å²	152.7	81%	0.81	81%	0.809	S	S	*	*			trans	71.7	119.7	-173.7	-51.2	164.5	0	0	0	112.9
42	L	32.6	Very low	31.7	Very low	162 Å²	162	153.5 Å²	153.5	85%	0.848	81%	0.81	S	S	*	*			cis	-160.3	165.5	-29.2	-121.6	167.4	0	0	0	107.1
43	K	31.3	Very low	31.7	Very low	188 Å²	188	153.3 Å²	153.3	82%	0.817	81%	0.806	S	S	*	*			trans	-100.7	163.3	172.7	-92	-170.6	174.2	-173.3	0	111.8
44	N	28.8	Very low	31.7	Very low	120 Å²	120	154 Å²	154	64%	0.642	80%	0.804	S	S	*	*			trans	-36.9	153.5	177.8	-49.2	23.7	0	0	0	115.8
45	N	34.5	Very low	31.6	Very low	168 Å²	168	152.8 Å²	152.8	90%	0.898	80%	0.799	S	S	*	*				-135.5	153.7	128.9	-84	-34.8	0	0	0	107.6
46	D	30.7	Very low	31.7	Very low	125 Å²	125	152.2 Å²	152.2	67%	0.668	79%	0.793	S	S	*	*			trans	-110	173	-169.5	-55	-83.8	0	0	0	112.3
47	E	30.6	Very low	31.3	Very low	173 Å²	173	152.5 Å²	152.5	81%	0.808	79%	0.789	S	S	*	*			trans	67.6	144.4	167.8	-48.8	-176.4	163.9	0	0	116.2
48	M	32.9	Very low	31.5	Very low	152 Å²	152	155.9 Å²	155.9	75%	0.749	80%	0.796	S	S	*	*			cis	-151.7	160.1	30.8	-82.1	-171.6	174	0	0	114.8
49	N	33.6	Very low	31.4	Very low	144 Å²	144	158 Å²	158	77%	0.77	79%	0.792	S	S	*	*			trans	68.8	119.4	147.8	-62.4	-8.7	0	0	0	122.6
50	D	27.4	Very low	31.4	Very low	155 Å²	155	156.1 Å²	156.1	83%	0.829	79%	0.792	S	S	*	*			trans	-59.5	152.8	149.3	-70.8	-72	0	0	0	113
51	T	33.6	Very low	31.3	Very low	125 Å²	125	156 Å²	156	77%	0.767	79%	0.787	S	S	*	*				-168.4	125.6	129.4	9.1	0	0	0	0	112.5
52	T	30.4	Very low	31.3	Very low	120 Å²	120	156.9 Å²	156.9	74%	0.736	79%	0.787	S	S	*	*				23.8	141.5	129.6	61.9	0	0	0	0	120.1
53	V	29.3	Very low	31.3	Very low	119 Å²	119	156.7 Å²	156.7	72%	0.721	78%	0.781	S	S	*	*			cis	-172.3	174.4	4.6	116	0	0	0	0	110.2
54	D	32	Very low	31.3	Very low	147 Å²	147	157.2 Å²	157.2	79%	0.786	79%	0.787	S	S	*	*			trans	86.1	150.7	156.9	-90.6	-32.7	0	0	0	122.7
55	H	32	Very low	31.3	Very low	165 Å²	165	159.7 Å²	159.7	76%	0.764	80%	0.795	S	S	*	*			trans	-84.7	157	178.9	-72.6	-107.3	0	0	0	112.3
56	H	34.3	Very low	31.1	Very low	188 Å²	188	160.3 Å²	160.3	87%	0.87	79%	0.792	S	S	*	*				-151.1	139.5	128.8	-115.3	-73.4	0	0	0	111.7
57	E	27.9	Very low	31.2	Very low	166 Å²	166	162 Å²	162	78%	0.776	80%	0.8	S	S	*	*			trans	-79.6	154.8	169.1	-56.7	168.1	114.2	0	0	110.2
58	H	34.4	Very low	31.3	Very low	178 Å²	178	160.7 Å²	160.7	82%	0.824	80%	0.799	S	S	*	*				-169	157.5	121	-108.5	-73.2	0	0	0	113.4
59	H	30	Very low	31.2	Very low	161 Å²	161	161 Å²	161	75%	0.745	80%	0.804	S	S	*	*			trans	-58.8	144.9	178.3	-79.3	-117.3	0	0	0	114.8
60	E	31	Very low	31.1	Very low	199 Å²	199	161.3 Å²	161.3	93%	0.93	81%	0.805	S	S	*	*			trans	-132.8	121.6	136.1	-89.5	-167.4	144.9	0	0	111
61	Q	27.6	Very low	31.3	Very low	163 Å²	163	159.9 Å²	159.9	76%	0.762	81%	0.807	S	S	*	*			trans	-146.4	120.7	162.9	-76.6	-172.6	-2.9	0	0	107.3
62	H	33.3	Very low	31.2	Very low	177 Å²	177	160.8 Å²	160.8	82%	0.819	81%	0.808	S	S	*	*			trans	177.3	166.9	140.1	-101.5	-69.3	0	0	0	111.2
63	H	32.1	Very low	31.1	Very low	157 Å²	157	165.9 Å²	165.9	73%	0.727	81%	0.813	S	S	*	*			trans	63.4	84.4	168.1	-58.9	-41.9	0	0	0	119.2
64	Q	30.6	Very low	31.2	Very low	200 Å²	200	168.8 Å²	168.8	94%	0.935	82%	0.823	S	S	*	*				-144.8	138.7	104.1	-124.2	99.2	77.7	0	0	109.2
65	Q	30.2	Very low	31	Very low	172 Å²	172	165.2 Å²	165.2	80%	0.804	82%	0.821	S	S	*	*			trans	-149.5	147.1	-176.5	-158.6	176.4	10.1	0	0	109.1
66	Q	29.3	Very low	30.7	Very low	181 Å²	181	163.3 Å²	163.3	85%	0.846	83%	0.826	S	S	*	*			trans	63	117.5	179.2	-66	169.6	-25.6	0	0	116.6
67	L	32.4	Very low	30.5	Very low	159 Å²	159	159.5 Å²	159.5	83%	0.832	82%	0.82	S	S	*	*				-162.4	139.6	120.5	-102.7	168.5	0	0	0	109.8
68	N	33.6	Very low	30.5	Very low	146 Å²	146	158.6 Å²	158.6	78%	0.781	83%	0.826	S	S	*	*			trans	67.6	85.8	164.7	-53.3	-14.2	0	0	0	118.5
69	D	30.5	Very low	30.3	Very low	160 Å²	160	153.7 Å²	153.7	86%	0.856	82%	0.824	S	S	*	*			trans	-64	133.3	139.7	-64.6	-74.8	0	0	0	109.9
70	D	30.7	Very low	30.3	Very low	150 Å²	150	154.8 Å²	154.8	80%	0.802	83%	0.834	S	S	*	*			trans	175.2	98.6	135.3	-107.7	-27.3	0	0	0	111.9
71	S	31.4	Very low	30.1	Very low	125 Å²	125	150.2 Å²	150.2	87%	0.874	82%	0.824	S	S	*	*			trans	-170.7	92.2	154.4	19	0	0	0	0	110.2
72	N	33.3	Very low	30.2	Very low	144 Å²	144	150.4 Å²	150.4	77%	0.77	83%	0.829	S	S	*	*			trans	-69.4	151.2	179.3	-104.7	-74.1	0	0	0	113.1
73	R	27.6	Very low	30.5	Very low	227 Å²	227	146 Å²	146	86%	0.857	81%	0.81	S	S	*	*			trans	-1.2	125.6	156	-66.8	168.1	158	-171.7	-5.2	117.3
74	I	31.6	Very low	30.8	Very low	180 Å²	180	145.3 Å²	145.3	92%	0.923	81%	0.812	S	S	*	*				-179.6	150.5	127.2	-95.6	152.3	0	0	0	109.7
75	G	28.3	Very low	31.8	Very low	72 Å²	72	142 Å²	142	74%	0.742	80%	0.797	S	S	*	*			trans	101.9	99.8	156.1	0	0	0	0	0	116.9
76	S	25.1	Very low	32.7	Very low	125 Å²	125	135.1 Å²	135.1	87%	0.874	77%	0.767	S	S	*	*			trans	-96.7	103.3	168.7	55.7	0	0	0	0	111.4
77	S	30	Very low	33.8	Very low	107 Å²	107	132.3 Å²	132.3	75%	0.748	76%	0.764	S	S	*	*			trans	-158.7	128.1	165.9	58.1	0	0	0	0	113.8
78	T	28.1	Very low	34.9	Very low	147 Å²	147	130.6 Å²	130.6	90%	0.902	75%	0.75	S	S	*	*			trans	-1.8	118.3	154.4	51.9	0	0	0	0	118.1
79	G	30	Very low	35.9	Very low	76 Å²	76	125.9 Å²	125.9	78%	0.784	72%	0.721	S	S	*	*			trans	-146.4	20.3	-178	0	0	0	0	0	117.4	S81	G79-S81 PolarHBondContact O-N 3.05Å
80	I	29.9	Very low	36.8	Very low	184 Å²	184	122.5 Å²	122.5	94%	0.944	71%	0.708	S	S	*	*			trans	-88	86.7	176.2	-55.6	179.6	0	0	0	109.6
81	S	27.8	Very low	37.9	Very low	103 Å²	103	120 Å²	120	72%	0.72	69%	0.694	S	S	*	*			trans	-145.7	72.7	173.5	-167.7	0	0	0	0	112.1	G79	G79-S81 PolarHBondContact O-N 3.05Å
82	L	29.1	Very low	38.6	Very low	166 Å²	166	122.6 Å²	122.6	87%	0.869	69%	0.689	S	S	*	*			trans	-132.5	52.6	164.5	-73.9	178.3	0	0	0	110.3
83	I	39.2	Very low	39.2	Very low	84 Å²	84	116.4 Å²	116.4	43%	0.431	66%	0.66	S	S	.	*			trans	-113.6	103.1	154.5	-59.2	178.2	0	0	0	105.1	E85 I399	I83-E85 PolarHBondContact O-N 2.7Å; I83-I399 HydrophobicContact CD1-CD1 4.44Å
84	N	39.4	Very low	40.2	Very low	143 Å²	143	107.9 Å²	107.9	77%	0.765	63%	0.628	S	S	*	*			trans	-64.7	107.9	169.3	-71	-11.6	0	0	0	107.3
85	E	50.1	Low	41.2	Very low	132 Å²	132	103.3 Å²	103.3	62%	0.617	60%	0.603	S	S	*	*			trans	-56.9	127.3	170.1	-80.7	-155.7	125.4	0	0	108.7	I83 K88	I83-E85 PolarHBondContact O-N 2.7Å; E85-K88 VanDerWaalsContact OE1-CE 3.3Å; E85-K88 WeakPolarHBondContact OE1-CE 3.24Å; E85-K88 IonicContact OE1-NZ 2.65Å; E85-K88 PolarHBondContact OE1-NZ 3.49Å; E85-K88 WeakPolarHBondContact OE2-CE 3.39Å; E85-K88 IonicContact OE2-NZ 2.66Å; E85-K88 PolarHBondContact OE2-NZ 2.93Å
86	P	49.8	Very low	42.3	Very low	27 Å²	27	101.3 Å²	101.3	18%	0.175	58%	0.575	C	S	.	*			trans	-63.5	142.7	173.4	27	-33.5	0	0	0	109.4	K88 Y317	P86-K88 PolarHBondContact O-N 3.24Å; P86-Y317 HydrophobicContact CB-CD1 4.42Å; P86-Y317 HydrophobicContact CB-CE1 3.65Å; P86-Y317 HydrophobicContact CG-CD1 4.18Å; P86-Y317 HydrophobicContact CG-CE1 3.63Å
87	P	52.3	Low	43.6	Very low	121 Å²	121	98.8 Å²	98.8	79%	0.786	55%	0.552	S	S	*	*			trans	-60.4	113.6	-172.2	22.8	-33.5	0	0	0	111.5	R89	P87-R89 PolarHBondContact O-N 2.83Å
88	K	54.3	Low	44.6	Very low	124 Å²	124	98 Å²	98	54%	0.539	54%	0.535	S	S	.	.			trans	-62.8	121	178.2	-70.9	162.1	178.6	159.2	0	109.6	E85 P86	E85-K88 VanDerWaalsContact OE1-CE 3.3Å; E85-K88 WeakPolarHBondContact OE1-CE 3.24Å; E85-K88 IonicContact OE1-NZ 2.65Å; E85-K88 PolarHBondContact OE1-NZ 3.49Å; E85-K88 WeakPolarHBondContact OE2-CE 3.39Å; E85-K88 IonicContact OE2-NZ 2.66Å; E85-K88 PolarHBondContact OE2-NZ 2.93Å; P86-K88 PolarHBondContact O-N 3.24Å
89	R	56	Low	45.9	Very low	46 Å²	46	97.8 Å²	97.8	17%	0.174	52%	0.521	C	S	.	.			trans	-61.3	140.7	174.2	-169	-171.2	-66.8	141.7	3.4	109	P87 I91 Q275 T314 E318	P87-R89 PolarHBondContact O-N 2.83Å; R89-I91 PolarHBondContact O-N 2.82Å; R89-Q275 VanDerWaalsContact CD-OE1 3.29Å; R89-T314 PolarHBondContact NH2-OG1 2.98Å; R89-E318 HydrophobicContact CB-CG 4.44Å; R89-E318 VanDerWaalsContact CD-OE1 3.26Å; R89-E318 WeakPolarHBondContact CD-OE1 3.43Å; R89-E318 IonicContact CZ-OE1 3.82Å; R89-E318 IonicContact CZ-OE2 3.52Å; R89-E318 IonicContact NE-OE1 2.67Å; R89-E318 IonicContact NH1-OE1 2.72Å; R89-E318 PolarHBondContact NH1-OE1 2.87Å; R89-E318 IonicContact NH1-OE2 2.73Å; R89-E318 PolarHBondContact NH1-OE2 2.88Å
90	P	48.7	Very low	46.7	Very low	89 Å²	89	100.2 Å²	100.2	58%	0.578	51%	0.51	S	S	*	.			trans	-53.5	111.4	179.7	17	-31.9	0	0	0	112.8	K92 G93	P90-K92 PolarHBondContact O-N 3.34Å; P90-G93 PolarHBondContact O-N 3.09Å
91	I	53.1	Low	47.6	Very low	98 Å²	98	96.3 Å²	96.3	50%	0.503	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.7	-160.7	-64.9	167.8	0	0	0	114.4	R89 G93 Q95	R89-I91 PolarHBondContact O-N 2.82Å; I91-G93 PolarHBondContact O-N 3.08Å; I91-Q95 HydrophobicContact CG2-CG 4.28Å; I91-Q95 VanDerWaalsContact CG2-NE2 3.31Å
92	K	46.3	Very low	48.6	Very low	179 Å²	179	96.2 Å²	96.2	78%	0.778	47%	0.474	S	S	*	.	H	α-helix	trans	-55.4	-27	-176.8	-65.5	-174.8	177.5	-178.1	0	113.3	P90	P90-K92 PolarHBondContact O-N 3.34Å
93	G	46.9	Very low	49.3	Very low	15 Å²	15	94.9 Å²	94.9	16%	0.155	46%	0.462	C	S	.	.	H	α-helix	trans	-70.3	-70.4	-167.9	0	0	0	0	0	115.4	P90 I91 Q95 L96 I272	P90-G93 PolarHBondContact O-N 3.09Å; I91-G93 PolarHBondContact O-N 3.08Å; G93-Q95 VanDerWaalsContact C-N 3.28Å; G93-Q95 PolarHBondContact O-N 3.37Å; G93-L96 WeakPolarHBondContact O-CB 3.37Å; G93-L96 PolarHBondContact O-N 3.15Å; G93-L96 VanDerWaalsContact O-N 3.16Å; G93-I272 WeakPolarHBondContact O-CD1 3.33Å
94	Y	48.6	Very low	49.7	Very low	47 Å²	47	94.3 Å²	94.3	18%	0.184	46%	0.462	C	S	.	.	H	α-helix	trans	-66.6	-26.8	-176.2	172.3	-106.6	0	0	0	113.5	L96 L97 K98 K315 E318 E319	Y94-L96 PolarHBondContact O-N 3.2Å; Y94-L97 PolarHBondContact O-N 3.02Å; Y94-L97 VanDerWaalsContact O-N 3.16Å; Y94-K98 HydrophobicContact CD1-CD 4.44Å; Y94-K98 HydrophobicContact CE1-CD 3.85Å; Y94-K98 WeakPolarHBondContact O-CB 3.2Å; Y94-K98 PolarHBondContact O-N 2.86Å; Y94-K315 HydrophobicContact CE1-CB 4.31Å; Y94-K315 HydrophobicContact CE2-CB 4.13Å; Y94-E318 WeakPolarHBondContact CB-OE1 3.28Å; Y94-E318 WeakPolarHBondContact CB-OE2 3.46Å; Y94-E318 HydrophobicContact CD1-CB 3.66Å; Y94-E318 HydrophobicContact CD1-CG 4.46Å; Y94-E318 HydrophobicContact CE1-CB 4.37Å; Y94-E318 HydrophobicContact CG-CB 4.25Å; Y94-E319 HydrophobicContact CE1-CG 4.18Å; Y94-E319 PolarHBondContact OH-OE1 3.07Å
95	Q	52.2	Low	49.8	Very low	85 Å²	85	94 Å²	94	40%	0.397	45%	0.451	S	S	.	.	H	α-helix	trans	-57.3	-34	173.2	-69.9	-168.7	-7.2	0	0	112.3	I91 G93 K99	I91-Q95 HydrophobicContact CG2-CG 4.28Å; I91-Q95 VanDerWaalsContact CG2-NE2 3.31Å; G93-Q95 VanDerWaalsContact C-N 3.28Å; G93-Q95 PolarHBondContact O-N 3.37Å; Q95-K99 WeakPolarHBondContact O-CB 3.35Å; Q95-K99 WeakPolarHBondContact O-CG 3.34Å; Q95-K99 PolarHBondContact O-N 2.92Å
96	L	51.7	Low	49.7	Very low	30 Å²	30	92.1 Å²	92.1	16%	0.157	44%	0.442	C	S	.	.	H	α-helix	trans	-72.1	-41.2	176.9	-130.6	83.1	0	0	0	112.8	G93 Y94 K99 K100 E269 I272	G93-L96 WeakPolarHBondContact O-CB 3.37Å; G93-L96 PolarHBondContact O-N 3.15Å; G93-L96 VanDerWaalsContact O-N 3.16Å; Y94-L96 PolarHBondContact O-N 3.2Å; L96-K99 PolarHBondContact O-N 3.46Å; L96-K100 WeakPolarHBondContact O-CG 3.31Å; L96-K100 PolarHBondContact O-N 3.33Å; L96-E269 WeakPolarHBondContact CD1-OE1 3.24Å; L96-E269 WeakPolarHBondContact CD1-OE2 3.23Å; L96-E269 HydrophobicContact CD2-CB 3.95Å; L96-E269 HydrophobicContact CD2-CG 3.81Å; L96-E269 WeakPolarHBondContact CD2-OE1 3.36Å; L96-I272 HydrophobicContact CB-CD1 3.74Å; L96-I272 HydrophobicContact CD2-CD1 3.97Å; L96-I272 HydrophobicContact CG-CD1 4.49Å
97	L	52.3	Low	49.9	Very low	72 Å²	72	94 Å²	94	38%	0.377	45%	0.453	S	S	.	.	H	α-helix	trans	-60.5	-49	171.8	-88.3	148.9	0	0	0	110.6	Y94 K99 K100 F101 I272	Y94-L97 PolarHBondContact O-N 3.02Å; Y94-L97 VanDerWaalsContact O-N 3.16Å; L97-K99 PolarHBondContact O-N 3.06Å; L97-K100 PolarHBondContact O-N 3.2Å; L97-K100 VanDerWaalsContact O-N 3.15Å; L97-F101 HydrophobicContact CB-CE2 4.44Å; L97-F101 HydrophobicContact CD2-CE2 4.01Å; L97-F101 WeakPolarHBondContact O-CD2 3.44Å; L97-F101 PolarHBondContact O-N 3.06Å; L97-I272 HydrophobicContact CD1-CG2 4.12Å
98	K	51.4	Low	49.6	Very low	90 Å²	90	93.5 Å²	93.5	39%	0.391	44%	0.438	S	S	.	.	H	α-helix	trans	-60.3	-41.5	178.6	-166.9	167.5	176.5	176.4	0	111.9	Y94 F101 H102 E319	Y94-K98 HydrophobicContact CD1-CD 4.44Å; Y94-K98 HydrophobicContact CE1-CD 3.85Å; Y94-K98 WeakPolarHBondContact O-CB 3.2Å; Y94-K98 PolarHBondContact O-N 2.86Å; K98-F101 PolarHBondContact O-N 2.89Å; K98-H102 PolarHBondContact O-N 2.65Å; K98-E319 IonicContact NZ-OE1 3.54Å; K98-E319 PolarHBondContact NZ-OE1 3.13Å
99	K	54.7	Low	49.5	Very low	142 Å²	142	90.8 Å²	90.8	62%	0.617	43%	0.432	S	S	*	.	H	α-helix	trans	-61.1	-46.9	170.9	-80.3	177.3	177.2	178.6	0	112.5	Q95 L96 L97 F101 H102 F103	Q95-K99 WeakPolarHBondContact O-CB 3.35Å; Q95-K99 WeakPolarHBondContact O-CG 3.34Å; Q95-K99 PolarHBondContact O-N 2.92Å; L96-K99 PolarHBondContact O-N 3.46Å; L97-K99 PolarHBondContact O-N 3.06Å; K99-F101 VanDerWaalsContact C-N 3.33Å; K99-F101 PolarHBondContact O-N 2.93Å; K99-H102 PolarHBondContact O-N 3.16Å; K99-F103 PolarHBondContact O-N 3Å
100	K	47.7	Very low	49	Very low	128 Å²	128	92.8 Å²	92.8	56%	0.557	45%	0.446	S	S	*	.	H	α-helix	trans	-61.8	-38.3	177.5	-74.4	178.5	-180	177.4	0	112.1	L96 L97 T104	L96-K100 WeakPolarHBondContact O-CG 3.31Å; L96-K100 PolarHBondContact O-N 3.33Å; L97-K100 PolarHBondContact O-N 3.2Å; L97-K100 VanDerWaalsContact O-N 3.15Å; K100-T104 PolarHBondContact O-N 2.88Å; K100-T104 PolarHBondContact O-OG1 3.4Å
101	F	47.2	Very low	48.9	Very low	102 Å²	102	91.5 Å²	91.5	45%	0.447	44%	0.44	S	S	.	.	H	α-helix	trans	-69.2	-35.7	173.1	-73.5	-62	0	0	0	113.9	L97 K98 K99 T104 R105	L97-F101 HydrophobicContact CB-CE2 4.44Å; L97-F101 HydrophobicContact CD2-CE2 4.01Å; L97-F101 WeakPolarHBondContact O-CD2 3.44Å; L97-F101 PolarHBondContact O-N 3.06Å; K98-F101 PolarHBondContact O-N 2.89Å; K99-F101 VanDerWaalsContact C-N 3.33Å; K99-F101 PolarHBondContact O-N 2.93Å; F101-T104 PolarHBondContact O-OG1 3.09Å; F101-T104 VanDerWaalsContact O-OG1 3.07Å; F101-R105 WeakPolarHBondContact O-CB 3.25Å; F101-R105 PolarHBondContact O-N 3.44Å; F101-R105 VanDerWaalsContact O-N 3.13Å
102	H	48.7	Very low	48.8	Very low	101 Å²	101	90.1 Å²	90.1	47%	0.468	44%	0.436	S	S	.	.	H	α-helix	trans	-68.9	-41.7	176.5	-132	-92.4	0	0	0	111.4	K98 K99 T104 R105 E106	K98-H102 PolarHBondContact O-N 2.65Å; K99-H102 PolarHBondContact O-N 3.16Å; H102-T104 PolarHBondContact O-N 3.05Å; H102-R105 WeakPolarHBondContact O-CB 3.39Å; H102-R105 PolarHBondContact O-N 2.97Å; H102-E106 IonicContact CE1-OE1 3.99Å; H102-E106 IonicContact CG-OE1 2.7Å; H102-E106 IonicContact ND1-OE1 3.15Å; H102-E106 PolarHBondContact ND1-OE1 3.34Å; H102-E106 WeakPolarHBondContact O-CG 3.2Å; H102-E106 PolarHBondContact O-N 2.95Å
103	F	45.1	Very low	48.9	Very low	137 Å²	137	88.4 Å²	88.4	60%	0.601	43%	0.428	S	S	*	.	H	α-helix	trans	-65	-39.2	177.8	-172.9	-99.3	0	0	0	112.9	K99 E106 T107	K99-F103 PolarHBondContact O-N 3Å; F103-E106 PolarHBondContact O-N 3.11Å; F103-T107 HydrophobicContact CD1-CG2 4.27Å; F103-T107 HydrophobicContact CE1-CG2 3.84Å; F103-T107 HydrophobicContact CE2-CG2 4.32Å; F103-T107 HydrophobicContact CZ-CG2 3.86Å; F103-T107 WeakPolarHBondContact O-CB 3.36Å; F103-T107 WeakPolarHBondContact O-CG2 3.34Å; F103-T107 PolarHBondContact O-N 2.79Å; F103-T107 PolarHBondContact O-OG1 3.27Å
104	T	47.8	Very low	49	Very low	72 Å²	72	96.7 Å²	96.7	44%	0.442	46%	0.455	S	S	.	.	H	α-helix	trans	-66.7	-38.3	172.9	48.3	0	0	0	0	112.2	K100 F101 H102 T107 F108	K100-T104 PolarHBondContact O-N 2.88Å; K100-T104 PolarHBondContact O-OG1 3.4Å; F101-T104 PolarHBondContact O-OG1 3.09Å; F101-T104 VanDerWaalsContact O-OG1 3.07Å; H102-T104 PolarHBondContact O-N 3.05Å; T104-T107 WeakPolarHBondContact CA-OG1 3.44Å; T104-T107 PolarHBondContact O-OG1 2.89Å; T104-T107 VanDerWaalsContact O-OG1 3.13Å; T104-F108 VanDerWaalsContact O-CB 3.27Å; T104-F108 WeakPolarHBondContact O-CB 3.44Å; T104-F108 PolarHBondContact O-N 3.31Å
105	R	41.3	Very low	48.9	Very low	138 Å²	138	99.2 Å²	99.2	52%	0.521	47%	0.471	S	S	.	.	H	α-helix	trans	-62.5	-43	173.6	178	180	169	87.1	-0.3	112.6	F101 H102 T109	F101-R105 WeakPolarHBondContact O-CB 3.25Å; F101-R105 PolarHBondContact O-N 3.44Å; F101-R105 VanDerWaalsContact O-N 3.13Å; H102-R105 WeakPolarHBondContact O-CB 3.39Å; H102-R105 PolarHBondContact O-N 2.97Å; R105-T109 WeakPolarHBondContact O-CB 3.46Å; R105-T109 WeakPolarHBondContact O-CG2 3.45Å; R105-T109 PolarHBondContact O-N 3.46Å; R105-T109 PolarHBondContact O-OG1 2.96Å
106	E	46.6	Very low	48.8	Very low	92 Å²	92	100.5 Å²	100.5	43%	0.43	48%	0.481	S	S	.	.	H	α-helix	trans	-70.5	-42.3	179.2	-76.4	168.3	-148.2	0	0	112.6	H102 F103 T109 N110	H102-E106 IonicContact CE1-OE1 3.99Å; H102-E106 IonicContact CG-OE1 2.7Å; H102-E106 IonicContact ND1-OE1 3.15Å; H102-E106 PolarHBondContact ND1-OE1 3.34Å; H102-E106 WeakPolarHBondContact O-CG 3.2Å; H102-E106 PolarHBondContact O-N 2.95Å; F103-E106 PolarHBondContact O-N 3.11Å; E106-T109 WeakPolarHBondContact CA-OG1 3.44Å; E106-T109 PolarHBondContact O-OG1 3.47Å; E106-N110 VanDerWaalsContact O-CB 3.29Å; E106-N110 WeakPolarHBondContact O-CB 3.49Å; E106-N110 PolarHBondContact O-N 3Å; E106-N110 PolarHBondContact O-ND2 3.1Å
107	T	55.3	Low	48.6	Very low	67 Å²	67	105.1 Å²	105.1	41%	0.411	51%	0.506	S	S	.	.	H	α-helix	trans	-65.3	-40.7	175	46.5	0	0	0	0	112	F103 T104 S111	F103-T107 HydrophobicContact CD1-CG2 4.27Å; F103-T107 HydrophobicContact CE1-CG2 3.84Å; F103-T107 HydrophobicContact CE2-CG2 4.32Å; F103-T107 HydrophobicContact CZ-CG2 3.86Å; F103-T107 WeakPolarHBondContact O-CB 3.36Å; F103-T107 WeakPolarHBondContact O-CG2 3.34Å; F103-T107 PolarHBondContact O-N 2.79Å; F103-T107 PolarHBondContact O-OG1 3.27Å; T104-T107 WeakPolarHBondContact CA-OG1 3.44Å; T104-T107 PolarHBondContact O-OG1 2.89Å; T104-T107 VanDerWaalsContact O-OG1 3.13Å; T107-S111 VanDerWaalsContact O-CB 3.31Å; T107-S111 WeakPolarHBondContact O-CB 2.9Å; T107-S111 PolarHBondContact O-N 3.04Å
108	F	45.2	Very low	48.3	Very low	109 Å²	109	107.6 Å²	107.6	48%	0.478	52%	0.519	S	S	.	.	H	α-helix	trans	-67.1	-47	177.1	-151.5	-92.6	0	0	0	112.2	T104 N110 S111 V112 P245	T104-F108 VanDerWaalsContact O-CB 3.27Å; T104-F108 WeakPolarHBondContact O-CB 3.44Å; T104-F108 PolarHBondContact O-N 3.31Å; F108-N110 PolarHBondContact O-N 2.94Å; F108-S111 PolarHBondContact O-N 2.9Å; F108-V112 HydrophobicContact CD1-CG2 4.14Å; F108-V112 HydrophobicContact CE1-CG2 4.13Å; F108-V112 WeakPolarHBondContact O-CG2 3.33Å; F108-V112 PolarHBondContact O-N 3.24Å; F108-P245 HydrophobicContact CD2-CB 4.31Å; F108-P245 HydrophobicContact CD2-CG 4.17Å; F108-P245 HydrophobicContact CE2-CB 3.7Å; F108-P245 HydrophobicContact CE2-CG 4.07Å; F108-P245 HydrophobicContact CZ-CB 4.43Å
109	T	52.4	Low	47.8	Very low	68 Å²	68	107.8 Å²	107.8	42%	0.417	53%	0.532	S	S	.	.	H	α-helix	trans	-65.4	-35.8	179	48.9	0	0	0	0	113	R105 E106 K113	R105-T109 WeakPolarHBondContact O-CB 3.46Å; R105-T109 WeakPolarHBondContact O-CG2 3.45Å; R105-T109 PolarHBondContact O-N 3.46Å; R105-T109 PolarHBondContact O-OG1 2.96Å; E106-T109 WeakPolarHBondContact CA-OG1 3.44Å; E106-T109 PolarHBondContact O-OG1 3.47Å; T109-K113 WeakPolarHBondContact O-CG 3.44Å; T109-K113 PolarHBondContact O-N 3.28Å; T109-K113 VanDerWaalsContact O-N 3.13Å
110	N	46.6	Very low	47.1	Very low	87 Å²	87	109.5 Å²	109.5	47%	0.465	54%	0.543	S	S	.	.	H	α-helix	trans	-71.6	-34.1	173.5	-74.7	-41.6	0	0	0	112.9	E106 F108 K113 R114	E106-N110 VanDerWaalsContact O-CB 3.29Å; E106-N110 WeakPolarHBondContact O-CB 3.49Å; E106-N110 PolarHBondContact O-N 3Å; E106-N110 PolarHBondContact O-ND2 3.1Å; F108-N110 PolarHBondContact O-N 2.94Å; N110-K113 PolarHBondContact O-N 3.43Å; N110-R114 WeakPolarHBondContact O-CG 3.27Å; N110-R114 PolarHBondContact O-N 2.99Å
111	S	46.1	Very low	46.5	Very low	62 Å²	62	110.8 Å²	110.8	43%	0.434	56%	0.555	S	S	.	*	H	α-helix	trans	-66.3	-43.2	174.6	-167.4	0	0	0	0	112	T107 F108 K113 R114 N115	T107-S111 VanDerWaalsContact O-CB 3.31Å; T107-S111 WeakPolarHBondContact O-CB 2.9Å; T107-S111 PolarHBondContact O-N 3.04Å; F108-S111 PolarHBondContact O-N 2.9Å; S111-K113 PolarHBondContact O-N 3.18Å; S111-R114 PolarHBondContact O-N 2.66Å; S111-N115 PolarHBondContact O-N 2.98Å
112	V	50.2	Low	45.8	Very low	70 Å²	70	111.9 Å²	111.9	42%	0.424	57%	0.571	S	S	.	*	H	α-helix	trans	-62.1	-42.9	174.8	173	0	0	0	0	111.5	F108 R114 N115 N116	F108-V112 HydrophobicContact CD1-CG2 4.14Å; F108-V112 HydrophobicContact CE1-CG2 4.13Å; F108-V112 WeakPolarHBondContact O-CG2 3.33Å; F108-V112 PolarHBondContact O-N 3.24Å; V112-R114 PolarHBondContact O-N 2.64Å; V112-N115 PolarHBondContact O-N 3.03Å; V112-N116 PolarHBondContact O-N 3.18Å; V112-N116 VanDerWaalsContact O-N 3.1Å
113	K	48.9	Very low	45	Very low	143 Å²	143	116.5 Å²	116.5	62%	0.622	59%	0.589	S	S	*	*	H	α-helix	trans	-60.7	-41.4	174.4	-77.8	-177.8	175.3	-176.4	0	112.8	T109 N110 S111 N117	T109-K113 WeakPolarHBondContact O-CG 3.44Å; T109-K113 PolarHBondContact O-N 3.28Å; T109-K113 VanDerWaalsContact O-N 3.13Å; N110-K113 PolarHBondContact O-N 3.43Å; S111-K113 PolarHBondContact O-N 3.18Å; K113-N117 PolarHBondContact O-N 2.92Å; K113-N117 PolarHBondContact O-OD1 3.13Å
114	R	48.2	Very low	44.4	Very low	189 Å²	189	118.9 Å²	118.9	71%	0.713	61%	0.605	S	S	*	*	H	α-helix	trans	-66.6	-40.7	177.9	-75.4	178.3	177.5	176.3	-0.3	112.6	N110 S111 V112 N117 N118	N110-R114 WeakPolarHBondContact O-CG 3.27Å; N110-R114 PolarHBondContact O-N 2.99Å; S111-R114 PolarHBondContact O-N 2.66Å; V112-R114 PolarHBondContact O-N 2.64Å; R114-N117 PolarHBondContact O-N 2.64Å; R114-N118 PolarHBondContact O-N 2.98Å
115	N	47.8	Very low	43.7	Very low	99 Å²	99	122.2 Å²	122.2	53%	0.529	63%	0.625	S	S	.	*	H	α-helix	trans	-70	-38.3	-179.9	-74.9	0.4	0	0	0	113	S111 V112 N118 S119	S111-N115 PolarHBondContact O-N 2.98Å; V112-N115 PolarHBondContact O-N 3.03Å; N115-N118 PolarHBondContact O-N 2.93Å; N115-S119 PolarHBondContact O-N 2.83Å; N115-S119 PolarHBondContact O-OG 3.34Å; N115-S119 VanDerWaalsContact O-OG 3.07Å
116	N	49	Very low	43.1	Very low	112 Å²	112	121.4 Å²	121.4	60%	0.599	64%	0.635	S	S	*	*	H	α-helix	trans	-64.5	-39.7	175.3	-82.6	8.3	0	0	0	112.2	V112 N118 S119	V112-N116 PolarHBondContact O-N 3.18Å; V112-N116 VanDerWaalsContact O-N 3.1Å; N116-N118 PolarHBondContact O-N 3.5Å; N116-S119 PolarHBondContact O-N 3.4Å
117	N	48.2	Very low	42.5	Very low	127 Å²	127	125.9 Å²	125.9	68%	0.679	65%	0.653	S	S	*	*	H	α-helix	trans	-70.9	-29.7	-179.9	-72.6	15.1	0	0	0	113.2	K113 R114	K113-N117 PolarHBondContact O-N 2.92Å; K113-N117 PolarHBondContact O-OD1 3.13Å; R114-N117 PolarHBondContact O-N 2.64Å
118	N	45	Very low	41.3	Very low	124 Å²	124	128.1 Å²	128.1	66%	0.663	67%	0.667	S	S	*	*	H	α-helix	trans	-79.9	-15.8	178.3	-80.7	2	0	0	0	114.1	R114 N115 N116 Q120	R114-N118 PolarHBondContact O-N 2.98Å; N115-N118 PolarHBondContact O-N 2.93Å; N116-N118 PolarHBondContact O-N 3.5Å; N118-Q120 VanDerWaalsContact C-N 3.3Å; N118-Q120 PolarHBondContact O-N 3.48Å
119	S	41.2	Very low	40.8	Very low	95 Å²	95	130.6 Å²	130.6	66%	0.664	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	2	-176.7	-61.3	0	0	0	0	114.7	N115 N116	N115-S119 PolarHBondContact O-N 2.83Å; N115-S119 PolarHBondContact O-OG 3.34Å; N115-S119 VanDerWaalsContact O-OG 3.07Å; N116-S119 PolarHBondContact O-N 3.4Å
120	Q	40.6	Very low	39.8	Very low	178 Å²	178	134.9 Å²	134.9	83%	0.832	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-1.5	179	-69.8	-168.2	-21.1	0	0	114.7	N118	N118-Q120 VanDerWaalsContact C-N 3.3Å; N118-Q120 PolarHBondContact O-N 3.48Å
121	N	35.9	Very low	39.3	Very low	154 Å²	154	135.2 Å²	135.2	82%	0.824	71%	0.713	S	S	*	*	S	Bend	trans	-123.3	35.1	-167.2	-124.5	-1.8	0	0	0	115.4
122	T	30.8	Very low	38.8	Very low	125 Å²	125	140 Å²	140	77%	0.767	73%	0.73	S	S	*	*			trans	-133.2	71.2	176.2	57.9	0	0	0	0	113.2
123	K	32.4	Very low	38	Very low	198 Å²	198	141.7 Å²	141.7	86%	0.861	74%	0.741	S	S	*	*			trans	-146.4	92.6	163.5	-83.1	-169.3	177.5	179.7	0	111.4
124	M	32.8	Very low	37.4	Very low	187 Å²	187	140.1 Å²	140.1	92%	0.921	74%	0.743	S	S	*	*			trans	173.2	167.7	136.7	-100	-176	-79.5	0	0	112.5
125	V	32.3	Very low	36.6	Very low	142 Å²	142	137 Å²	137	86%	0.861	75%	0.745	S	S	*	*			trans	68.9	108.7	173.2	-163.9	0	0	0	0	116.9
126	T	28.5	Very low	35.9	Very low	122 Å²	122	138.2 Å²	138.2	75%	0.748	76%	0.757	S	S	*	*			trans	-100.6	147.9	164.1	48.2	0	0	0	0	110.4
127	K	34.1	Very low	35.1	Very low	186 Å²	186	138.5 Å²	138.5	81%	0.809	76%	0.762	S	S	*	*				171.3	117.6	125.8	-96.3	173.1	-179.4	-177.4	0	115
128	T	30.5	Very low	34.4	Very low	114 Å²	114	137.7 Å²	137.7	70%	0.699	76%	0.762	S	S	*	*			trans	45.4	112.3	132.6	61.8	0	0	0	0	121.1
129	N	34.2	Very low	33.8	Very low	160 Å²	160	137.3 Å²	137.3	86%	0.856	76%	0.764	S	S	*	*				-175	159.3	100	-89.3	-18	0	0	0	113.4
130	N	31.9	Very low	33.3	Very low	158 Å²	158	138.4 Å²	138.4	85%	0.845	77%	0.768	S	S	*	*			trans	-153.6	-178.9	-179.2	-130.1	2.6	0	0	0	106.2
131	P	37.7	Very low	32.9	Very low	95 Å²	95	136.2 Å²	136.2	62%	0.617	77%	0.766	S	S	*	*			cis	-143.8	-160.2	12.3	43.7	-22.4	0	0	0	116
132	M	34.1	Very low	32.6	Very low	162 Å²	162	134.6 Å²	134.6	80%	0.798	76%	0.762	S	S	*	*			trans	77.1	151.4	154.9	-73.6	166	74.4	0	0	118.4
133	T	34.5	Very low	32.7	Very low	105 Å²	105	134 Å²	134	64%	0.644	76%	0.758	S	S	*	*			cis	-153.9	144.7	16	-17.1	0	0	0	0	115.8
134	T	34.8	Very low	32.5	Very low	110 Å²	110	130.1 Å²	130.1	68%	0.675	75%	0.752	S	S	*	*			trans	51.3	120.1	143.1	44.4	0	0	0	0	127.3
135	T	31.5	Very low	32.5	Very low	124 Å²	124	127.4 Å²	127.4	76%	0.761	75%	0.746	S	S	*	*				55.8	164.7	125.9	65.8	0	0	0	0	121.9
136	T	34.5	Very low	32.5	Very low	125 Å²	125	124.9 Å²	124.9	77%	0.767	74%	0.735	S	S	*	*			cis	-155	-171.6	21.9	-25.1	0	0	0	0	113.7
137	T	31.1	Very low	32.7	Very low	117 Å²	117	124.1 Å²	124.1	72%	0.718	73%	0.734	S	S	*	*			trans	-81.3	-167.9	-168.1	51.7	0	0	0	0	115.7
138	T	33.2	Very low	32.7	Very low	111 Å²	111	119.8 Å²	119.8	68%	0.681	73%	0.727	S	S	*	*			cis	-172.2	159.4	27.2	-19.7	0	0	0	0	115.7
139	T	32.9	Very low	32.8	Very low	115 Å²	115	120.3 Å²	120.3	71%	0.706	73%	0.73	S	S	*	*			trans	63.5	125.4	145.1	38.8	0	0	0	0	127.5
140	T	30.1	Very low	32.8	Very low	119 Å²	119	117.8 Å²	117.8	73%	0.73	72%	0.717	S	S	*	*				29.4	149.7	126.9	61.5	0	0	0	0	122.9
141	T	32.6	Very low	32.9	Very low	132 Å²	132	117.6 Å²	117.6	81%	0.81	71%	0.708	S	S	*	*				-159.3	-177.5	60.3	18.2	0	0	0	0	117.5
142	T	29.3	Very low	32.8	Very low	119 Å²	119	119.6 Å²	119.6	73%	0.73	71%	0.714	S	S	*	*			trans	-69	-175.6	-178.2	52.9	0	0	0	0	115.6
143	T	32.9	Very low	32.7	Very low	112 Å²	112	123.1 Å²	123.1	69%	0.687	72%	0.718	S	S	*	*			cis	-173	160.2	41.3	-21.8	0	0	0	0	113.5
144	T	30.1	Very low	32.6	Very low	118 Å²	118	126 Å²	126	72%	0.724	73%	0.73	S	S	*	*			trans	16.1	154.9	147.1	51.4	0	0	0	0	122.6
145	T	31.4	Very low	32.7	Very low	129 Å²	129	126.1 Å²	126.1	79%	0.791	73%	0.733	S	S	*	*			cis	-171	-174.6	14.7	7.1	0	0	0	0	108.8
146	S	33.1	Very low	32.6	Very low	90 Å²	90	128.7 Å²	128.7	63%	0.629	74%	0.738	S	S	*	*			cis	-171.6	178.1	-10.9	48.6	0	0	0	0	110.4
147	S	31.8	Very low	32.6	Very low	105 Å²	105	129.3 Å²	129.3	73%	0.734	74%	0.735	S	S	*	*			trans	64.5	151.1	149.4	41.9	0	0	0	0	120.8
148	S	34.3	Very low	32.5	Very low	95 Å²	95	129.3 Å²	129.3	66%	0.664	74%	0.737	S	S	*	*			cis	-175.1	153.7	-12.4	49	0	0	0	0	113.2
149	T	33.4	Very low	32.4	Very low	125 Å²	125	134.1 Å²	134.1	77%	0.767	75%	0.749	S	S	*	*			trans	63.9	159.2	153.5	50.2	0	0	0	0	119.3
150	D	34.3	Very low	32.1	Very low	107 Å²	107	137.8 Å²	137.8	57%	0.572	76%	0.755	S	S	*	*			cis	-154.4	142.4	5.9	-133.2	24	0	0	0	115.9
151	K	33.5	Very low	32.1	Very low	154 Å²	154	138 Å²	138	67%	0.67	76%	0.762	S	S	*	*			trans	45.6	156.1	132.9	-67.5	-176.7	-161.2	82.3	0	127
152	N	34.9	Very low	31.7	Very low	137 Å²	137	137.3 Å²	137.3	73%	0.733	76%	0.757	S	S	*	*			trans	79.6	146.2	162	-65	-48.8	0	0	0	117.6
153	R	32.7	Very low	31.8	Very low	237 Å²	237	138 Å²	138	89%	0.894	76%	0.757	S	S	*	*			cis	-152.8	174.6	-2.3	-123.9	169	-169.4	-167.2	0.6	111.8
154	N	32	Very low	31.7	Very low	164 Å²	164	139.2 Å²	139.2	88%	0.877	76%	0.758	S	S	*	*			trans	-102	168	-166.3	-116.9	-1	0	0	0	115.9
155	P	37.3	Very low	31.6	Very low	114 Å²	114	140.6 Å²	140.6	74%	0.74	76%	0.76	S	S	*	*			trans	-111.7	175.5	-169.3	42.8	-36.8	0	0	0	116.9
156	M	29.9	Very low	31.5	Very low	177 Å²	177	141.1 Å²	141.1	87%	0.872	76%	0.758	S	S	*	*			trans	-165.3	166.7	169.5	-131	-179.2	-179.7	0	0	108.7
157	I	32.6	Very low	31.1	Very low	139 Å²	139	142.9 Å²	142.9	71%	0.713	77%	0.766	S	S	*	*			cis	-145.5	145.9	3.8	-35.1	163.4	0	0	0	108.6
158	P	31	Very low	31.2	Very low	117 Å²	117	143.1 Å²	143.1	76%	0.76	77%	0.767	S	S	*	*			trans	-100.9	154	170.1	37.2	-32.7	0	0	0	114.3
159	F	30	Very low	31.1	Very low	212 Å²	212	145.4 Å²	145.4	93%	0.93	77%	0.772	S	S	*	*			trans	-103	157.4	177.1	-117.7	-93.5	0	0	0	113.6
160	K	26.2	Very low	31.1	Very low	192 Å²	192	145.4 Å²	145.4	84%	0.835	77%	0.767	S	S	*	*			trans	-117.9	151.7	174.4	-69.5	179.7	178.3	177.4	0	111.2
161	S	29.7	Very low	30.9	Very low	124 Å²	124	147 Å²	147	87%	0.867	78%	0.776	S	S	*	*			trans	-150.1	143.6	146.3	53.7	0	0	0	0	109.8
162	T	26.1	Very low	30.8	Very low	117 Å²	117	148.3 Å²	148.3	72%	0.718	79%	0.789	S	S	*	*			trans	-112.5	178.1	-176.3	52.3	0	0	0	0	111.6
163	N	31.1	Very low	30.7	Very low	133 Å²	133	146.8 Å²	146.8	71%	0.711	79%	0.789	S	S	*	*			trans	122.2	149.7	153.6	-61.8	-1.7	0	0	0	114.1
164	L	29.5	Very low	30.6	Very low	137 Å²	137	141.8 Å²	141.8	72%	0.717	79%	0.788	S	S	*	*			cis	-175.8	136.7	-40.3	-115	167.4	0	0	0	107.2
165	L	28.2	Very low	30.5	Very low	147 Å²	147	144 Å²	144	77%	0.77	78%	0.784	S	S	*	*			trans	63.8	167.2	167.2	-59.5	155.4	0	0	0	114.5
166	N	30.4	Very low	30	Very low	141 Å²	141	146 Å²	146	75%	0.754	78%	0.783	S	S	*	*			cis	-141.5	170.3	-1.1	-145.6	-7	0	0	0	111.9
167	T	24.7	Very low	29.9	Very low	127 Å²	127	149.3 Å²	149.3	78%	0.779	79%	0.786	S	S	*	*			trans	-117.5	138.8	-173.7	53.8	0	0	0	0	114.5
168	S	33.3	Very low	29.6	Very low	109 Å²	109	148.5 Å²	148.5	76%	0.762	79%	0.792	S	S	*	*			trans	-163.9	104.6	154.5	59.3	0	0	0	0	115.8
169	N	32.9	Very low	29.4	Very low	143 Å²	143	148.4 Å²	148.4	77%	0.765	79%	0.794	S	S	*	*				54.2	128.4	125.9	-65.8	1.3	0	0	0	124.7
170	N	32.5	Very low	29.3	Very low	125 Å²	125	144 Å²	144	67%	0.668	79%	0.79	S	S	*	*			trans	90.9	101.4	131.2	-65.4	-1.8	0	0	0	122.8
171	N	30.6	Very low	29.2	Very low	142 Å²	142	143.8 Å²	143.8	76%	0.759	79%	0.789	S	S	*	*				56.2	111.9	118.1	-55.4	-12.1	0	0	0	121
172	L	31.8	Very low	29.1	Very low	180 Å²	180	143.2 Å²	143.2	94%	0.942	79%	0.786	S	S	*	*			trans	-151.3	160.7	138.8	-105.5	150.5	0	0	0	109.4
173	S	32.9	Very low	29	Very low	106 Å²	106	141.9 Å²	141.9	74%	0.741	78%	0.777	S	S	*	*			trans	-91	152.6	-165.3	47.1	0	0	0	0	114.5
174	P	30.4	Very low	28.6	Very low	132 Å²	132	145 Å²	145	86%	0.857	79%	0.787	S	S	*	*			trans	-86.4	138.4	176.8	33.9	-32.9	0	0	0	112.1
175	R	29.1	Very low	28.4	Very low	211 Å²	211	148.7 Å²	148.7	80%	0.796	79%	0.793	S	S	*	*			trans	-138.5	126.3	168.8	-171.9	171.6	177.1	158	9.9	111.1
176	E	27.9	Very low	28.3	Very low	154 Å²	154	150.7 Å²	150.7	72%	0.72	80%	0.798	S	S	*	*			trans	33.2	101.2	155.2	-59.5	168.9	143.9	0	0	118.4
177	R	27.4	Very low	28.3	Very low	247 Å²	247	150.9 Å²	150.9	93%	0.932	80%	0.8	S	S	*	*			trans	-138.5	110.5	146.4	-76.9	-160.9	174.5	-161.9	-2.9	111.9
178	S	25.2	Very low	28.6	Very low	122 Å²	122	151.9 Å²	151.9	85%	0.853	80%	0.8	S	S	*	*			trans	-67.6	152.8	148.1	46.9	0	0	0	0	109.2
179	S	28.3	Very low	28.2	Very low	115 Å²	115	155.9 Å²	155.9	80%	0.804	81%	0.807	S	S	*	*			trans	-146.6	125.3	165.8	45.4	0	0	0	0	110.1
180	S	27	Very low	28	Very low	120 Å²	120	154.4 Å²	154.4	84%	0.839	81%	0.808	S	S	*	*			trans	-72.8	148.5	158.9	40.1	0	0	0	0	108.8
181	F	25.4	Very low	27.9	Very low	187 Å²	187	157.2 Å²	157.2	82%	0.82	82%	0.816	S	S	*	*			trans	-122.2	108.7	178.7	-169.4	-116.7	0	0	0	109.9	V183	F181-V183 HydrophobicContact CD1-CG2 3.8Å; F181-V183 HydrophobicContact CE1-CG2 3.51Å; F181-V183 HydrophobicContact CZ-CG2 4.36Å
182	S	25.7	Very low	27.8	Very low	113 Å²	113	157.5 Å²	157.5	79%	0.79	82%	0.817	S	S	*	*			trans	-92.8	138.4	167.5	41.2	0	0	0	0	109.4
183	V	24.3	Very low	27.5	Very low	88 Å²	88	153.7 Å²	153.7	53%	0.533	81%	0.806	S	S	.	*			trans	-108.9	127.4	-179.4	178.6	0	0	0	0	109.7	F181 Y185	F181-V183 HydrophobicContact CD1-CG2 3.8Å; F181-V183 HydrophobicContact CE1-CG2 3.51Å; F181-V183 HydrophobicContact CZ-CG2 4.36Å; V183-Y185 HydrophobicContact CG1-CD2 3.7Å; V183-Y185 HydrophobicContact CG1-CE2 3.76Å; V183-Y185 HydrophobicContact CG1-CG 4.5Å
184	Q	24.1	Very low	27.4	Very low	198 Å²	198	155.7 Å²	155.7	93%	0.925	81%	0.806	S	S	*	*			trans	-108	141.6	154.3	-70.1	-175.4	-55	0	0	108.3
185	Y	24.9	Very low	27.3	Very low	216 Å²	216	157.1 Å²	157.1	85%	0.847	80%	0.802	S	S	*	*			trans	-105.3	124.7	179.5	-92.4	-90.4	0	0	0	110	V183	V183-Y185 HydrophobicContact CG1-CD2 3.7Å; V183-Y185 HydrophobicContact CG1-CE2 3.76Å; V183-Y185 HydrophobicContact CG1-CG 4.5Å
186	E	26.4	Very low	27.5	Very low	188 Å²	188	152.7 Å²	152.7	88%	0.879	80%	0.8	S	S	*	*			trans	-134.2	171.6	152.4	-75.8	-154.5	133.5	0	0	109.9
187	N	29.6	Very low	27.6	Very low	146 Å²	146	151 Å²	151	78%	0.781	80%	0.801	S	S	*	*			trans	-93.1	159.8	-146.9	-70.9	-63.7	0	0	0	116.8
188	N	30.8	Very low	27.7	Very low	147 Å²	147	146.8 Å²	146.8	79%	0.786	80%	0.797	S	S	*	*			trans	87.5	130.4	154.9	-62.8	-34.9	0	0	0	120.7
189	Q	26.1	Very low	28.1	Very low	193 Å²	193	148.8 Å²	148.8	90%	0.902	80%	0.796	S	S	*	*			trans	58.3	85.8	155.5	-63	-175.7	-1.1	0	0	118.9
190	S	27.6	Very low	28.2	Very low	113 Å²	113	154.7 Å²	154.7	79%	0.79	80%	0.801	S	S	*	*			trans	-99.2	95.8	165.7	48.5	0	0	0	0	112.8	L192	S190-L192 PolarHBondContact O-N 3.46Å
191	H	30.8	Very low	28.3	Very low	183 Å²	183	157.5 Å²	157.5	85%	0.847	80%	0.8	S	S	*	*			trans	-80.6	102.6	169.2	-168.3	-82.6	0	0	0	109.8	S193	H191-S193 PolarHBondContact O-N 3.23Å
192	L	27.8	Very low	28.6	Very low	149 Å²	149	155.4 Å²	155.4	78%	0.78	80%	0.798	S	S	*	*			trans	-73.9	88.4	-170.8	-92.6	163.9	0	0	0	113.8	S190	S190-L192 PolarHBondContact O-N 3.46Å
193	S	25.6	Very low	28.8	Very low	100 Å²	100	155.5 Å²	155.5	70%	0.699	79%	0.789	S	S	*	*			trans	-97.3	104.9	163.9	60.1	0	0	0	0	111.1	H191	H191-S193 PolarHBondContact O-N 3.23Å
194	I	30.9	Very low	29.1	Very low	147 Å²	147	159 Å²	159	75%	0.754	80%	0.8	S	S	*	*			trans	-88.8	109.5	175.5	-59.9	177	0	0	0	109.4
195	Q	28.6	Very low	29.4	Very low	162 Å²	162	159.5 Å²	159.5	76%	0.757	80%	0.795	S	S	*	*			trans	-81.6	119.9	168.9	-78.3	-83.8	-1.6	0	0	109.7	T197	Q195-T197 PolarHBondContact O-N 2.88Å
196	P	32.4	Very low	29.6	Very low	118 Å²	118	159.6 Å²	159.6	77%	0.766	80%	0.795	S	S	*	*			trans	-83.6	102.6	-179.1	31.8	-32.9	0	0	0	111.7	N198	P196-N198 PolarHBondContact O-N 2.91Å
197	T	31.3	Very low	29.7	Very low	120 Å²	120	157.9 Å²	157.9	74%	0.736	79%	0.792	S	S	*	*			trans	-82.7	111.7	179.4	53.8	0	0	0	0	113.2	Q195	Q195-T197 PolarHBondContact O-N 2.88Å
198	N	29.3	Very low	29.7	Very low	157 Å²	157	157 Å²	157	84%	0.84	79%	0.787	S	S	*	*			trans	51.2	80.4	147.9	-63	-28.2	0	0	0	118.7	P196	P196-N198 PolarHBondContact O-N 2.91Å
199	I	32.1	Very low	29.7	Very low	164 Å²	164	158.7 Å²	158.7	84%	0.841	79%	0.787	S	S	*	*			trans	-92.7	113.1	148.2	-63.1	178.4	0	0	0	107.9
200	R	31.5	Very low	29.8	Very low	239 Å²	239	154.8 Å²	154.8	90%	0.902	78%	0.781	S	S	*	*			trans	-63.8	135	174	-85.4	-177.8	168.8	171.1	-3.8	109.9
201	H	29.4	Very low	29.8	Very low	180 Å²	180	157.7 Å²	157.7	83%	0.833	78%	0.78	S	S	*	*			trans	-63.2	152.8	173.7	-74	17.6	0	0	0	111.8
202	N	31.6	Very low	29.6	Very low	143 Å²	143	156.7 Å²	156.7	77%	0.765	78%	0.775	S	S	*	*			trans	-141.3	116.8	139.8	-131.7	-3	0	0	0	110.6
203	N	30.5	Very low	29.6	Very low	115 Å²	115	160.4 Å²	160.4	62%	0.615	78%	0.78	S	S	*	*			trans	64	114.5	152.7	-60	-17.8	0	0	0	121.9
204	H	29.4	Very low	29.6	Very low	162 Å²	162	163.1 Å²	163.1	75%	0.75	78%	0.782	S	S	*	*			trans	43.2	117.5	132.8	-53.2	-72.9	0	0	0	118.4
205	Y	30.7	Very low	29.4	Very low	208 Å²	208	162.2 Å²	162.2	82%	0.816	78%	0.779	S	S	*	*				-161.5	177.1	75.3	-115.6	-92.5	0	0	0	113.3
206	Y	29.9	Very low	29.5	Very low	218 Å²	218	163 Å²	163	86%	0.855	78%	0.78	S	S	*	*			trans	63.1	87.3	173.5	-76.9	-76.8	0	0	0	118.3
207	N	26.9	Very low	29.1	Very low	152 Å²	152	165.3 Å²	165.3	81%	0.813	79%	0.785	S	S	*	*			trans	-111.1	109.6	159	-179.1	8.1	0	0	0	109.2
208	N	30.7	Very low	29	Very low	128 Å²	128	165.7 Å²	165.7	68%	0.684	78%	0.782	S	S	*	*			trans	-170.8	125.9	158.4	-109.7	-55.2	0	0	0	115.2
209	K	30.2	Very low	28.9	Very low	181 Å²	181	162.2 Å²	162.2	79%	0.787	77%	0.77	S	S	*	*			trans	65.2	127	141.6	-71.7	166.4	-176.5	177.9	0	123
210	S	28.6	Very low	28.6	Very low	111 Å²	111	165.1 Å²	165.1	78%	0.776	78%	0.776	S	S	*	*			trans	64.3	126.9	155.1	-124	0	0	0	0	117.8
211	K	27.4	Very low	28.5	Very low	175 Å²	175	157.6 Å²	157.6	76%	0.761	76%	0.761	S	S	*	*			cis	62.7	116.8	38.7	-73.8	-161.2	171.7	-171	0	115.5
212	H	27.1	Very low	28.7	Very low	162 Å²	162	158.4 Å²	158.4	75%	0.75	76%	0.764	S	S	*	*			trans	61.6	136	-178.4	-54.6	-80	0	0	0	112.6
213	Y	27.7	Very low	28.4	Very low	226 Å²	226	159.4 Å²	159.4	89%	0.886	77%	0.769	S	S	*	*			cis	-138.1	153.8	48.6	-96.1	-97.7	0	0	0	115.1
214	E	25.7	Very low	28.2	Very low	157 Å²	157	158.4 Å²	158.4	73%	0.734	77%	0.771	S	S	*	*			trans	-80.7	170.3	155.2	-64	-172.6	133.5	0	0	111
215	N	27.2	Very low	28	Very low	128 Å²	128	158 Å²	158	68%	0.684	77%	0.773	S	S	*	*			trans	62.8	98.2	160.9	-61	-48.9	0	0	0	117.4
216	F	29.1	Very low	28	Very low	179 Å²	179	157.5 Å²	157.5	79%	0.785	78%	0.779	S	S	*	*			trans	-138	81.1	144.1	-139.3	-97.6	0	0	0	112.1	L218	F216-L218 HydrophobicContact CD1-CB 4.17Å; F216-L218 HydrophobicContact CD1-CD1 4.2Å; F216-L218 HydrophobicContact CE1-CB 3.9Å; F216-L218 HydrophobicContact CE1-CD1 3.66Å; F216-L218 HydrophobicContact CE1-CG 4.37Å; F216-L218 HydrophobicContact CE2-CD1 4.41Å; F216-L218 HydrophobicContact CZ-CD1 3.78Å; F216-L218 PolarHBondContact O-N 2.81Å
217	L	25.5	Very low	27.6	Very low	166 Å²	166	152.3 Å²	152.3	87%	0.869	77%	0.774	S	S	*	*			trans	-84.6	85.9	167.4	-85.9	168.6	0	0	0	110
218	L	27.7	Very low	27.6	Very low	129 Å²	129	150.1 Å²	150.1	68%	0.675	77%	0.771	S	S	*	*			trans	-156	143.2	166	-83.7	116.8	0	0	0	109	F216	F216-L218 HydrophobicContact CD1-CB 4.17Å; F216-L218 HydrophobicContact CD1-CD1 4.2Å; F216-L218 HydrophobicContact CE1-CB 3.9Å; F216-L218 HydrophobicContact CE1-CD1 3.66Å; F216-L218 HydrophobicContact CE1-CG 4.37Å; F216-L218 HydrophobicContact CE2-CD1 4.41Å; F216-L218 HydrophobicContact CZ-CD1 3.78Å; F216-L218 PolarHBondContact O-N 2.81Å
219	S	28.8	Very low	27.6	Very low	83 Å²	83	151.2 Å²	151.2	58%	0.58	78%	0.776	S	S	*	*			cis	-153	148.7	-19.5	56.6	0	0	0	0	109.2	S221	S219-S221 PolarHBondContact O-N 2.73Å; S219-S221 PolarHBondContact OG-OG 3.42Å
220	K	26	Very low	27.4	Very low	225 Å²	225	150 Å²	150	98%	0.978	78%	0.777	S	S	*	*	S	Bend	trans	-81.4	75	174.7	-78.5	-172.9	175.4	-179.7	0	111
221	S	28	Very low	27.4	Very low	82 Å²	82	154.8 Å²	154.8	57%	0.573	78%	0.784	S	S	*	*			trans	-153.4	32	-177.3	63.5	0	0	0	0	116.9	S219	S219-S221 PolarHBondContact O-N 2.73Å; S219-S221 PolarHBondContact OG-OG 3.42Å
222	Q	34.2	Very low	27.3	Very low	196 Å²	196	155.1 Å²	155.1	92%	0.916	79%	0.788	S	S	*	*			trans	-134.3	98.1	162.2	-75.3	-166	-21.3	0	0	112.1
223	L	25.8	Very low	27.4	Very low	165 Å²	165	153.2 Å²	153.2	86%	0.864	79%	0.793	S	S	*	*			trans	-76.2	167.7	144.2	-52.8	83.2	0	0	0	106.6
224	S	25.3	Very low	27.3	Very low	93 Å²	93	151.2 Å²	151.2	65%	0.65	79%	0.792	S	S	*	*			cis	-163	174.7	22.9	65.2	0	0	0	0	111.5
225	L	26	Very low	27.4	Very low	153 Å²	153	151.6 Å²	151.6	80%	0.801	80%	0.798	S	S	*	*			trans	52.6	100.3	151.6	-66.2	164	0	0	0	119
226	Q	29.7	Very low	27.4	Very low	199 Å²	199	150.5 Å²	150.5	93%	0.93	80%	0.801	S	S	*	*				-158.3	131.9	109.8	-111.8	179	6.6	0	0	111.8
227	S	23.1	Very low	27.2	Very low	109 Å²	109	149.1 Å²	149.1	76%	0.762	80%	0.8	S	S	*	*			trans	-135.5	109.7	-179.4	56.9	0	0	0	0	110.5
228	S	26.4	Very low	27.3	Very low	105 Å²	105	148.1 Å²	148.1	73%	0.734	80%	0.795	S	S	*	*			trans	-167	169	166.9	58.5	0	0	0	0	111.9
229	L	29.1	Very low	27.5	Very low	152 Å²	152	150.1 Å²	150.1	80%	0.796	81%	0.806	S	S	*	*			trans	68.4	64.1	165	-55.6	-178.9	0	0	0	118.6
230	L	26.4	Very low	27.6	Very low	155 Å²	155	153 Å²	153	81%	0.812	81%	0.814	S	S	*	*				24.1	120.4	114.9	-63.6	165.9	0	0	0	118.3
231	K	28.9	Very low	27.8	Very low	211 Å²	211	151 Å²	151	92%	0.917	81%	0.808	S	S	*	*				-156.7	140	116.7	-114.3	166.7	-174.7	174.4	0	112.1
232	Q	25.5	Very low	28	Very low	182 Å²	182	157.1 Å²	157.1	85%	0.85	82%	0.819	S	S	*	*			trans	-84.8	149.5	177.9	-63.6	156.9	-54.8	0	0	110.6
233	S	29.7	Very low	28	Very low	122 Å²	122	151.9 Å²	151.9	85%	0.853	80%	0.797	S	S	*	*			trans	-135.1	138.2	149.8	53.8	0	0	0	0	108.6
234	Q	26	Very low	28.3	Very low	185 Å²	185	152.3 Å²	152.3	86%	0.864	79%	0.788	S	S	*	*			trans	-95	142.7	-177.3	-63.3	175.2	-8	0	0	110.1
235	L	27.4	Very low	28.8	Very low	164 Å²	164	151.5 Å²	151.5	86%	0.859	78%	0.781	S	S	*	*			trans	-153.2	118.8	163.1	-106.3	160.8	0	0	0	109.2
236	S	27.4	Very low	29	Very low	106 Å²	106	154.1 Å²	154.1	74%	0.741	79%	0.786	S	S	*	*			trans	22.8	95.8	167.8	57.9	0	0	0	0	118.3	L238	S236-L238 PolarHBondContact O-N 3.16Å
237	L	25.1	Very low	29.1	Very low	149 Å²	149	150.1 Å²	150.1	78%	0.78	78%	0.775	S	S	*	*			trans	-89.1	76.1	170.3	-104.1	171.8	0	0	0	112
238	L	26.6	Very low	29.4	Very low	146 Å²	146	153 Å²	153	76%	0.764	78%	0.781	S	S	*	*			trans	-136.1	165	160.5	-71	177	0	0	0	109.2	S236 I240	S236-L238 PolarHBondContact O-N 3.16Å; L238-I240 VanDerWaalsContact C-N 3.26Å; L238-I240 PolarHBondContact O-N 3.48Å
239	D	31.5	Very low	29.5	Very low	170 Å²	170	155.9 Å²	155.9	91%	0.909	79%	0.785	S	S	*	*	S	Bend	trans	61.1	-0.9	177.2	-65.6	-9.2	0	0	0	120.2
240	I	31.8	Very low	29.6	Very low	144 Å²	144	155 Å²	155	74%	0.738	79%	0.786	S	S	*	*			trans	-82.5	-15	171.2	-68.3	179.2	0	0	0	112.8	L238 R242	L238-I240 VanDerWaalsContact C-N 3.26Å; L238-I240 PolarHBondContact O-N 3.48Å; I240-R242 PolarHBondContact O-N 3.14Å
241	Q	29.8	Very low	29.8	Very low	182 Å²	182	155.9 Å²	155.9	85%	0.85	79%	0.791	S	S	*	*			trans	-91.4	74.7	-176.5	-68.5	-172.8	-77.8	0	0	114
242	R	32.3	Very low	29.8	Very low	211 Å²	211	148.9 Å²	148.9	80%	0.796	78%	0.778	S	S	*	*	S	Bend	trans	-137.5	80.8	155.4	-110.5	178.3	-179.1	162.9	3.6	112.2	I240	I240-R242 PolarHBondContact O-N 3.14Å
243	D	35.2	Very low	29.9	Very low	87 Å²	87	144 Å²	144	47%	0.465	78%	0.777	S	S	.	*			trans	55.2	85.4	148.1	-52.1	-30.3	0	0	0	119.4
244	Y	31.2	Very low	29.8	Very low	174 Å²	174	142.7 Å²	142.7	68%	0.682	78%	0.782	S	S	*	*			trans	-132.6	85.2	141.4	-93.4	-86.5	0	0	0	110	K246 K308	Y244-K246 PolarHBondContact O-N 3.35Å; Y244-K308 PolarHBondContact OH-NZ 3.23Å
245	P	36.1	Very low	29.9	Very low	75 Å²	75	137.2 Å²	137.2	49%	0.487	78%	0.775	S	S	.	*			trans	-71.9	99.9	177	28.5	-33.2	0	0	0	111.3	F108 T247	F108-P245 HydrophobicContact CD2-CB 4.31Å; F108-P245 HydrophobicContact CD2-CG 4.17Å; F108-P245 HydrophobicContact CE2-CB 3.7Å; F108-P245 HydrophobicContact CE2-CG 4.07Å; F108-P245 HydrophobicContact CZ-CB 4.43Å; P245-T247 PolarHBondContact O-N 3.49Å
246	K	30.5	Very low	29.9	Very low	209 Å²	209	135.2 Å²	135.2	91%	0.909	78%	0.775	S	S	*	*			trans	-74.4	69.7	168.7	-83.5	-168.7	166.1	-166.3	0	111.6	Y244	Y244-K246 PolarHBondContact O-N 3.35Å
247	T	31.6	Very low	30	Very low	115 Å²	115	137.3 Å²	137.3	71%	0.706	78%	0.775	S	S	*	*			trans	-144.2	103.3	172.7	-39.4	0	0	0	0	113.3	P245	P245-T247 PolarHBondContact O-N 3.49Å
248	L	28.2	Very low	30.3	Very low	169 Å²	169	137.4 Å²	137.4	89%	0.885	78%	0.775	S	S	*	*			trans	-136.1	118.2	138.8	-172.9	64.2	0	0	0	106.9
249	M	30	Very low	30.3	Very low	166 Å²	166	134.3 Å²	134.3	82%	0.818	78%	0.779	S	S	*	*			trans	-81.4	121.7	174.9	-75.1	-176.4	167.7	0	0	109.1	L251	M249-L251 PolarHBondContact O-N 2.88Å; M249-L251 VanDerWaalsContact O-N 3.15Å
250	T	30.5	Very low	30.2	Very low	133 Å²	133	132.3 Å²	132.3	82%	0.816	77%	0.767	S	S	*	*			trans	-73	104.3	170.6	-50.8	0	0	0	0	109.4
251	L	31	Very low	30.2	Very low	174 Å²	174	129 Å²	129	91%	0.911	76%	0.757	S	S	*	*			trans	-79.2	113.4	169.9	-87.7	164	0	0	0	110.2	M249	M249-L251 PolarHBondContact O-N 2.88Å; M249-L251 VanDerWaalsContact O-N 3.15Å
252	G	28.2	Very low	30.3	Very low	64 Å²	64	128.2 Å²	128.2	66%	0.66	76%	0.758	S	S	*	*	S	Bend	trans	80.2	160.5	165	0	0	0	0	0	116.4
253	G	28.6	Very low	30.6	Very low	80 Å²	80	123.4 Å²	123.4	83%	0.825	75%	0.752	S	S	*	*			trans	86.8	102.8	174.3	0	0	0	0	0	114.5
254	G	26.2	Very low	30.4	Very low	93 Å²	93	122.8 Å²	122.8	96%	0.959	76%	0.76	S	S	*	*			trans	-75.8	123.7	167.6	0	0	0	0	0	110.8
255	G	28.1	Very low	30.4	Very low	70 Å²	70	119.2 Å²	119.2	72%	0.722	76%	0.76	S	S	*	*			trans	-157.2	142.9	177.3	0	0	0	0	0	111	M257	G255-M257 PolarHBondContact O-N 2.9Å
256	S	28	Very low	30.5	Very low	122 Å²	122	121 Å²	121	85%	0.853	76%	0.764	S	S	*	*			trans	-75.1	106.1	-173.9	-171.8	0	0	0	0	111.8
257	M	29.2	Very low	30.9	Very low	150 Å²	150	117 Å²	117	74%	0.739	75%	0.751	S	S	*	*			trans	-91.3	101	163.8	-89.9	-165.8	71.7	0	0	110.8	G255 I260	G255-M257 PolarHBondContact O-N 2.9Å; M257-I260 HydrophobicContact CE-CB 4.46Å; M257-I260 HydrophobicContact CE-CD1 4.17Å; M257-I260 HydrophobicContact CE-CG1 4.28Å
258	L	31	Very low	30.9	Very low	151 Å²	151	116.7 Å²	116.7	79%	0.791	75%	0.75	S	S	*	*			trans	-56.6	144.2	149.7	-81	158	0	0	0	109	I260	L258-I260 PolarHBondContact O-N 2.83Å
259	G	27.1	Very low	31.3	Very low	81 Å²	81	113.8 Å²	113.8	84%	0.835	73%	0.732	S	S	*	*			trans	-70.5	89.6	-170	0	0	0	0	0	113.3	S261	G259-S261 PolarHBondContact O-N 2.89Å
260	I	29	Very low	31.6	Very low	129 Å²	129	110.1 Å²	110.1	66%	0.662	74%	0.736	S	S	*	*			trans	-61.2	118.4	163.5	-56.1	178.7	0	0	0	107.2	M257 L258	M257-I260 HydrophobicContact CE-CB 4.46Å; M257-I260 HydrophobicContact CE-CD1 4.17Å; M257-I260 HydrophobicContact CE-CG1 4.28Å; L258-I260 PolarHBondContact O-N 2.83Å
261	S	32	Very low	32.5	Very low	75 Å²	75	105.3 Å²	105.3	52%	0.524	71%	0.713	S	S	.	*			trans	-70.1	150	-177.3	52.4	0	0	0	0	112.2	G259 T263	G259-S261 PolarHBondContact O-N 2.89Å; S261-T263 PolarHBondContact O-N 3.45Å; S261-T263 PolarHBondContact OG-OG1 3.42Å
262	D	32.4	Very low	33.6	Very low	165 Å²	165	98.7 Å²	98.7	88%	0.882	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	32.2	178.9	-71.3	-37.7	0	0	0	114.3
263	T	39.5	Very low	35.3	Very low	109 Å²	109	97.5 Å²	97.5	67%	0.669	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	-14.9	-175.9	51.3	0	0	0	0	113.2	S261	S261-T263 PolarHBondContact O-N 3.45Å; S261-T263 PolarHBondContact OG-OG1 3.42Å
264	A	31	Very low	37.8	Very low	75 Å²	75	98 Å²	98	62%	0.62	64%	0.641	S	S	*	*	S	Bend	trans	-98.6	6.9	-160.7	0	0	0	0	0	116.7
265	S	31	Very low	40.7	Very low	99 Å²	99	97.1 Å²	97.1	69%	0.692	61%	0.612	S	S	*	*			trans	-119.6	5.8	-173	60.2	0	0	0	0	116.1	I267	S265-I267 PolarHBondContact O-N 2.84Å
266	I	37.5	Very low	43.8	Very low	111 Å²	111	96 Å²	96	57%	0.569	59%	0.586	S	S	*	*			trans	-84.6	66.1	173.1	-49.8	-176	0	0	0	109.5	T268 N273	I266-T268 PolarHBondContact O-N 3.32Å; I266-N273 WeakPolarHBondContact CG2-OD1 3.14Å; I266-N273 PolarHBondContact O-ND2 3.01Å
267	I	38.6	Very low	47	Very low	125 Å²	125	93.9 Å²	93.9	64%	0.641	56%	0.564	S	S	*	*			trans	-66.5	118.9	-173.5	-62.7	177.5	0	0	0	110.9	S265	S265-I267 PolarHBondContact O-N 2.84Å
268	T	32.5	Very low	50.1	Low	110 Å²	110	90.5 Å²	90.5	68%	0.675	55%	0.549	S	S	*	.			trans	3.8	108	162	55.8	0	0	0	0	119.2	I266	I266-T268 PolarHBondContact O-N 3.32Å
269	E	36.7	Very low	53.3	Low	108 Å²	108	85.5 Å²	85.5	51%	0.505	52%	0.523	S	S	.	.				-127.2	128.1	124.2	-77.9	-169.2	-148.2	0	0	107.7	L96 G271	L96-E269 WeakPolarHBondContact CD1-OE1 3.24Å; L96-E269 WeakPolarHBondContact CD1-OE2 3.23Å; L96-E269 HydrophobicContact CD2-CB 3.95Å; L96-E269 HydrophobicContact CD2-CG 3.81Å; L96-E269 WeakPolarHBondContact CD2-OE1 3.36Å; E269-G271 PolarHBondContact O-N 3.42Å
270	G	34.9	Very low	56.7	Low	89 Å²	89	83.4 Å²	83.4	92%	0.918	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	92.1	-161.9	0	0	0	0	0	114.5
271	G	49.4	Very low	59.9	Low	32 Å²	32	82.6 Å²	82.6	33%	0.33	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	157.5	-23.9	170.8	0	0	0	0	0	114.6	E269 D274	E269-G271 PolarHBondContact O-N 3.42Å; G271-D274 WeakPolarHBondContact CA-OD2 3.41Å
272	I	55.6	Low	63.1	Low	35 Å²	35	81.1 Å²	81.1	18%	0.179	48%	0.477	C	S	.	.	H	α-helix	trans	-71.4	-48.1	173.3	-62.1	160.7	0	0	0	110.3	G93 L96 L97 D274 Q275 Y276	G93-I272 WeakPolarHBondContact O-CD1 3.33Å; L96-I272 HydrophobicContact CB-CD1 3.74Å; L96-I272 HydrophobicContact CD2-CD1 3.97Å; L96-I272 HydrophobicContact CG-CD1 4.49Å; L97-I272 HydrophobicContact CD1-CG2 4.12Å; I272-D274 VanDerWaalsContact C-N 3.29Å; I272-D274 PolarHBondContact O-N 2.98Å; I272-Q275 PolarHBondContact O-N 3.35Å; I272-Y276 PolarHBondContact O-N 3.23Å
273	N	63.3	Low	66.2	Low	39 Å²	39	76.2 Å²	76.2	21%	0.209	45%	0.446	C	S	.	.	H	α-helix	trans	-61.8	-41.7	-169.9	-73.1	-1.9	0	0	0	110.5	I266 Y276 I277	I266-N273 WeakPolarHBondContact CG2-OD1 3.14Å; I266-N273 PolarHBondContact O-ND2 3.01Å; N273-Y276 PolarHBondContact O-N 2.96Å; N273-I277 HydrophobicContact CB-CD1 4.33Å; N273-I277 VanDerWaalsContact O-CB 3.23Å; N273-I277 WeakPolarHBondContact O-CB 3.3Å; N273-I277 WeakPolarHBondContact O-CD1 3.46Å; N273-I277 WeakPolarHBondContact O-CG1 3.45Å; N273-I277 PolarHBondContact O-N 3.02Å
274	D	81.8	Confident	69	Low	90 Å²	90	74.6 Å²	74.6	48%	0.481	43%	0.431	S	S	.	.	H	α-helix	trans	-63.7	-51	-176.3	-44.1	-56.8	0	0	0	111	G271 I272 Y276 I277 D278	G271-D274 WeakPolarHBondContact CA-OD2 3.41Å; I272-D274 VanDerWaalsContact C-N 3.29Å; I272-D274 PolarHBondContact O-N 2.98Å; D274-Y276 VanDerWaalsContact C-N 3.32Å; D274-Y276 PolarHBondContact O-N 2.74Å; D274-I277 PolarHBondContact O-N 3.02Å; D274-D278 WeakPolarHBondContact O-CB 3.33Å; D274-D278 VanDerWaalsContact O-CG 3.31Å; D274-D278 PolarHBondContact O-N 3.01Å
275	Q	86.3	Confident	72.2	Confident	75 Å²	75	75.8 Å²	75.8	35%	0.35	43%	0.427	S	S	.	.	H	α-helix	trans	-59.5	-40.6	177.3	-64.2	-176.1	7	0	0	112.7	R89 I272 L279	R89-Q275 VanDerWaalsContact CD-OE1 3.29Å; I272-Q275 PolarHBondContact O-N 3.35Å; Q275-L279 WeakPolarHBondContact O-CB 3.37Å; Q275-L279 VanDerWaalsContact O-CG 3.31Å; Q275-L279 WeakPolarHBondContact O-CG 3.45Å; Q275-L279 PolarHBondContact O-N 2.94Å
276	Y	93	Very high	75.5	Confident	45 Å²	45	75.3 Å²	75.3	18%	0.176	42%	0.415	C	S	.	.	H	α-helix	trans	-71.5	-38.6	178.4	178.4	-116.1	0	0	0	112.4	I272 N273 D274 I280 Q304 A307 K308 L311	I272-Y276 PolarHBondContact O-N 3.23Å; N273-Y276 PolarHBondContact O-N 2.96Å; D274-Y276 VanDerWaalsContact C-N 3.32Å; D274-Y276 PolarHBondContact O-N 2.74Å; Y276-I280 HydrophobicContact CD1-CD1 3.94Å; Y276-I280 HydrophobicContact CD2-CD1 4.5Å; Y276-I280 HydrophobicContact CE1-CD1 3.53Å; Y276-I280 HydrophobicContact CE2-CD1 4.14Å; Y276-I280 HydrophobicContact CE2-CG1 4.49Å; Y276-I280 HydrophobicContact CG-CD1 4.4Å; Y276-I280 WeakPolarHBondContact O-CD1 3.3Å; Y276-I280 WeakPolarHBondContact O-CG1 3.39Å; Y276-I280 PolarHBondContact O-N 2.96Å; Y276-Q304 PolarHBondContact OH-O 2.76Å; Y276-A307 HydrophobicContact CD2-CB 3.89Å; Y276-A307 HydrophobicContact CE2-CB 3.67Å; Y276-K308 HydrophobicContact CE2-CG 3.77Å; Y276-K308 WeakPolarHBondContact OH-CE 3.45Å; Y276-L311 HydrophobicContact CD2-CD1 3.91Å
277	I	95	Very high	78.4	Confident	79 Å²	79	70.9 Å²	70.9	41%	0.405	39%	0.393	S	S	.	.	H	α-helix	trans	-66.2	-40	175.1	-74.1	166	0	0	0	110.8	N273 D274 I280 K281	N273-I277 HydrophobicContact CB-CD1 4.33Å; N273-I277 VanDerWaalsContact O-CB 3.23Å; N273-I277 WeakPolarHBondContact O-CB 3.3Å; N273-I277 WeakPolarHBondContact O-CD1 3.46Å; N273-I277 WeakPolarHBondContact O-CG1 3.45Å; N273-I277 PolarHBondContact O-N 3.02Å; D274-I277 PolarHBondContact O-N 3.02Å; I277-I280 WeakPolarHBondContact O-CB 3.35Å; I277-I280 PolarHBondContact O-N 3.3Å; I277-K281 WeakPolarHBondContact O-CG 3.23Å; I277-K281 PolarHBondContact O-N 2.94Å
278	D	95.8	Very high	81.2	Confident	78 Å²	78	68.8 Å²	68.8	42%	0.417	39%	0.386	S	S	.	.	H	α-helix	trans	-73.3	-35.2	179.6	-70	-21	0	0	0	112.2	D274 I280 K281 A282	D274-D278 WeakPolarHBondContact O-CB 3.33Å; D274-D278 VanDerWaalsContact O-CG 3.31Å; D274-D278 PolarHBondContact O-N 3.01Å; D278-I280 VanDerWaalsContact C-N 3.31Å; D278-I280 PolarHBondContact O-N 2.84Å; D278-K281 PolarHBondContact O-N 2.97Å; D278-K281 WeakPolarHBondContact OD1-CD 3.49Å; D278-K281 WeakPolarHBondContact OD1-CE 3.48Å; D278-K281 IonicContact OD1-NZ 3.96Å; D278-K281 PolarHBondContact OD1-NZ 3.15Å; D278-A282 WeakPolarHBondContact O-CB 3.38Å; D278-A282 PolarHBondContact O-N 2.96Å
279	L	96.9	Very high	84.3	Confident	47 Å²	47	67.7 Å²	67.7	25%	0.246	39%	0.388	C	S	.	.	H	α-helix	trans	-61.6	-38.2	166.7	-74.9	171.5	0	0	0	112	Q275 A282 Y283 A307 I310 L311	Q275-L279 WeakPolarHBondContact O-CB 3.37Å; Q275-L279 VanDerWaalsContact O-CG 3.31Å; Q275-L279 WeakPolarHBondContact O-CG 3.45Å; Q275-L279 PolarHBondContact O-N 2.94Å; L279-A282 PolarHBondContact O-N 3.06Å; L279-Y283 HydrophobicContact CD2-CE2 4.5Å; L279-Y283 WeakPolarHBondContact O-CD2 3.29Å; L279-Y283 PolarHBondContact O-N 3.08Å; L279-A307 HydrophobicContact CB-CB 3.69Å; L279-I310 HydrophobicContact CD1-CG2 4.03Å; L279-I310 HydrophobicContact CD2-CG2 4.12Å; L279-L311 HydrophobicContact CD1-CD1 4.14Å; L279-L311 HydrophobicContact CD1-CD2 3.8Å; L279-L311 HydrophobicContact CD1-CG 3.77Å
280	I	97.9	Very high	87.2	Confident	37 Å²	37	68.3 Å²	68.3	19%	0.19	39%	0.393	C	S	.	.	H	α-helix	trans	-62.5	-46.2	173.1	-74.3	162.8	0	0	0	111	Y276 I277 D278 H284 P303 Q304 A307	Y276-I280 HydrophobicContact CD1-CD1 3.94Å; Y276-I280 HydrophobicContact CD2-CD1 4.5Å; Y276-I280 HydrophobicContact CE1-CD1 3.53Å; Y276-I280 HydrophobicContact CE2-CD1 4.14Å; Y276-I280 HydrophobicContact CE2-CG1 4.49Å; Y276-I280 HydrophobicContact CG-CD1 4.4Å; Y276-I280 WeakPolarHBondContact O-CD1 3.3Å; Y276-I280 WeakPolarHBondContact O-CG1 3.39Å; Y276-I280 PolarHBondContact O-N 2.96Å; I277-I280 WeakPolarHBondContact O-CB 3.35Å; I277-I280 PolarHBondContact O-N 3.3Å; D278-I280 VanDerWaalsContact C-N 3.31Å; D278-I280 PolarHBondContact O-N 2.84Å; I280-H284 WeakPolarHBondContact O-CB 3.27Å; I280-H284 PolarHBondContact O-N 3.18Å; I280-P303 HydrophobicContact CG2-CB 4.11Å; I280-P303 WeakPolarHBondContact O-CB 3.35Å; I280-Q304 HydrophobicContact CD1-CB 4.4Å; I280-Q304 HydrophobicContact CD1-CG 3.85Å; I280-Q304 HydrophobicContact CG1-CB 4.47Å; I280-Q304 HydrophobicContact CG1-CG 4.1Å; I280-A307 HydrophobicContact CG1-CB 3.99Å
281	K	97.8	Very high	90.2	Very high	111 Å²	111	67.5 Å²	67.5	48%	0.483	39%	0.385	S	S	.	.	H	α-helix	trans	-59.4	-46.6	175.2	-66.4	169.1	-167.5	158.4	0	111	I277 D278 H284 N285	I277-K281 WeakPolarHBondContact O-CG 3.23Å; I277-K281 PolarHBondContact O-N 2.94Å; D278-K281 PolarHBondContact O-N 2.97Å; D278-K281 WeakPolarHBondContact OD1-CD 3.49Å; D278-K281 WeakPolarHBondContact OD1-CE 3.48Å; D278-K281 IonicContact OD1-NZ 3.96Å; D278-K281 PolarHBondContact OD1-NZ 3.15Å; K281-H284 PolarHBondContact O-N 2.89Å; K281-N285 WeakPolarHBondContact O-CB 3.28Å; K281-N285 PolarHBondContact O-N 3.14Å; K281-N285 PolarHBondContact O-OD1 3.33Å
282	A	98.2	Very high	92.5	Very high	45 Å²	45	69.2 Å²	69.2	37%	0.372	39%	0.385	S	S	.	.	H	α-helix	trans	-60.6	-49.6	179.9	0	0	0	0	0	112	D278 L279 H284 N285 I286	D278-A282 WeakPolarHBondContact O-CB 3.38Å; D278-A282 PolarHBondContact O-N 2.96Å; L279-A282 PolarHBondContact O-N 3.06Å; A282-H284 VanDerWaalsContact C-N 3.35Å; A282-H284 PolarHBondContact O-N 3.36Å; A282-N285 PolarHBondContact O-N 3.44Å; A282-I286 WeakPolarHBondContact O-CG1 3.5Å; A282-I286 PolarHBondContact O-N 3.39Å
283	Y	98.4	Very high	94.6	Very high	61 Å²	61	71.7 Å²	71.7	24%	0.239	40%	0.398	C	S	.	.	H	α-helix	trans	-67.4	-32.5	177.4	-77.6	-61.3	0	0	0	113.4	L279 I286 L287 A306 A307 I310	L279-Y283 HydrophobicContact CD2-CE2 4.5Å; L279-Y283 WeakPolarHBondContact O-CD2 3.29Å; L279-Y283 PolarHBondContact O-N 3.08Å; Y283-I286 HydrophobicContact CD1-CD1 4.02Å; Y283-I286 HydrophobicContact CE1-CD1 4.32Å; Y283-L287 WeakPolarHBondContact O-CG 3.49Å; Y283-L287 PolarHBondContact O-N 3.06Å; Y283-A306 HydrophobicContact CD1-CB 3.7Å; Y283-A306 HydrophobicContact CD2-CB 3.55Å; Y283-A306 HydrophobicContact CE1-CB 3.91Å; Y283-A306 VanDerWaalsContact CE2-C 3.45Å; Y283-A306 HydrophobicContact CE2-CB 3.75Å; Y283-A306 HydrophobicContact CG-CB 3.54Å; Y283-A307 HydrophobicContact CD2-CB 4.29Å; Y283-I310 HydrophobicContact CE2-CG2 3.83Å; Y283-I310 WeakPolarHBondContact OH-CB 3.5Å
284	H	98.4	Very high	96.2	Very high	76 Å²	76	70.5 Å²	70.5	35%	0.352	39%	0.393	S	S	.	.	H	α-helix	trans	-62.6	-46.3	170.7	179.1	-85.2	0	0	0	111.3	I280 K281 A282 I286 L287 V288 P303	I280-H284 WeakPolarHBondContact O-CB 3.27Å; I280-H284 PolarHBondContact O-N 3.18Å; K281-H284 PolarHBondContact O-N 2.89Å; A282-H284 VanDerWaalsContact C-N 3.35Å; A282-H284 PolarHBondContact O-N 3.36Å; H284-I286 VanDerWaalsContact C-N 3.34Å; H284-I286 PolarHBondContact O-N 3.46Å; H284-L287 WeakPolarHBondContact O-CB 3.48Å; H284-L287 PolarHBondContact O-N 3.41Å; H284-L287 VanDerWaalsContact O-N 3.16Å; H284-V288 PolarHBondContact O-N 3.23Å; H284-V288 VanDerWaalsContact O-N 3.14Å; H284-P303 HydrophobicContact CB-CB 4.34Å; H284-P303 HydrophobicContact CB-CG 4Å
285	N	98.4	Very high	96.9	Very high	100 Å²	100	72.1 Å²	72.1	54%	0.535	40%	0.401	S	S	.	.	H	α-helix	trans	-67	-33.9	180	-67.2	-3.9	0	0	0	112.2	K281 A282 V288 A289	K281-N285 WeakPolarHBondContact O-CB 3.28Å; K281-N285 PolarHBondContact O-N 3.14Å; K281-N285 PolarHBondContact O-OD1 3.33Å; A282-N285 PolarHBondContact O-N 3.44Å; N285-V288 PolarHBondContact O-N 2.88Å; N285-A289 VanDerWaalsContact O-CB 3.28Å; N285-A289 WeakPolarHBondContact O-CB 3.46Å; N285-A289 PolarHBondContact O-N 2.85Å
286	I	98.4	Very high	97.4	Very high	88 Å²	88	73.8 Å²	73.8	45%	0.451	40%	0.404	S	S	.	.	H	α-helix	trans	-59.9	-44.9	170.8	-71.7	165	0	0	0	111	A282 Y283 H284 V288 A289 I290	A282-I286 WeakPolarHBondContact O-CG1 3.5Å; A282-I286 PolarHBondContact O-N 3.39Å; Y283-I286 HydrophobicContact CD1-CD1 4.02Å; Y283-I286 HydrophobicContact CE1-CD1 4.32Å; H284-I286 VanDerWaalsContact C-N 3.34Å; H284-I286 PolarHBondContact O-N 3.46Å; I286-V288 VanDerWaalsContact C-N 3.35Å; I286-V288 PolarHBondContact O-N 3.07Å; I286-A289 PolarHBondContact O-N 2.85Å; I286-I290 WeakPolarHBondContact O-CG1 3.48Å; I286-I290 PolarHBondContact O-N 3.12Å
287	L	98.4	Very high	97.6	Very high	18 Å²	18	80.3 Å²	80.3	9%	0.094	44%	0.437	C	S	.	.	H	α-helix	trans	-61.7	-41.7	177.9	-67.3	170.9	0	0	0	112	Y283 H284 I290 E292 P294 L299 T302 P303	Y283-L287 WeakPolarHBondContact O-CG 3.49Å; Y283-L287 PolarHBondContact O-N 3.06Å; H284-L287 WeakPolarHBondContact O-CB 3.48Å; H284-L287 PolarHBondContact O-N 3.41Å; H284-L287 VanDerWaalsContact O-N 3.16Å; L287-I290 HydrophobicContact CD2-CD1 4.42Å; L287-I290 WeakPolarHBondContact O-CG1 3.46Å; L287-E292 VanDerWaalsContact O-CB 3.31Å; L287-E292 WeakPolarHBondContact O-CB 3.21Å; L287-E292 PolarHBondContact O-N 3.32Å; L287-P294 HydrophobicContact CB-CG 4.23Å; L287-L299 HydrophobicContact CD1-CB 4.35Å; L287-L299 HydrophobicContact CD1-CD1 4.21Å; L287-L299 HydrophobicContact CD1-CD2 4.16Å; L287-L299 HydrophobicContact CD1-CG 4.47Å; L287-L299 HydrophobicContact CD2-CD1 3.96Å; L287-L299 HydrophobicContact CD2-CD2 3.92Å; L287-T302 HydrophobicContact CD1-CG2 4.19Å; L287-P303 HydrophobicContact CD1-CG 3.96Å
288	V	98.3	Very high	97.7	Very high	82 Å²	82	78.4 Å²	78.4	50%	0.497	44%	0.437	S	S	.	.	H	α-helix	trans	-65	-43.6	174.7	178	0	0	0	0	111.2	H284 N285 I286 I290 G291 P294	H284-V288 PolarHBondContact O-N 3.23Å; H284-V288 VanDerWaalsContact O-N 3.14Å; N285-V288 PolarHBondContact O-N 2.88Å; I286-V288 VanDerWaalsContact C-N 3.35Å; I286-V288 PolarHBondContact O-N 3.07Å; V288-I290 VanDerWaalsContact C-N 3.32Å; V288-I290 PolarHBondContact O-N 2.89Å; V288-G291 PolarHBondContact O-N 2.72Å; V288-G291 VanDerWaalsContact O-N 3.08Å; V288-P294 HydrophobicContact CG2-CG 3.67Å
289	A	98.2	Very high	97.9	Very high	87 Å²	87	75.2 Å²	75.2	72%	0.719	42%	0.419	S	S	*	.	H	α-helix	trans	-66.7	-28.1	-176.9	0	0	0	0	0	114	N285 I286 G291	N285-A289 VanDerWaalsContact O-CB 3.28Å; N285-A289 WeakPolarHBondContact O-CB 3.46Å; N285-A289 PolarHBondContact O-N 2.85Å; I286-A289 PolarHBondContact O-N 2.85Å; A289-G291 VanDerWaalsContact C-N 3.3Å
290	I	97.8	Very high	97.9	Very high	120 Å²	120	77.5 Å²	77.5	62%	0.615	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	6.4	173.8	69.1	179.3	0	0	0	113.7	I286 L287 V288 E292	I286-I290 WeakPolarHBondContact O-CG1 3.48Å; I286-I290 PolarHBondContact O-N 3.12Å; L287-I290 HydrophobicContact CD2-CD1 4.42Å; L287-I290 WeakPolarHBondContact O-CG1 3.46Å; V288-I290 VanDerWaalsContact C-N 3.32Å; V288-I290 PolarHBondContact O-N 2.89Å; I290-E292 VanDerWaalsContact C-N 3.33Å; I290-E292 HydrophobicContact CD1-CB 4.42Å; I290-E292 HydrophobicContact CD1-CG 4.29Å; I290-E292 HydrophobicContact CG1-CB 4.07Å; I290-E292 HydrophobicContact CG1-CG 4.31Å; I290-E292 PolarHBondContact O-N 2.86Å
291	G	97.8	Very high	97.9	Very high	73 Å²	73	82.4 Å²	82.4	75%	0.753	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	14.1	179.4	0	0	0	0	0	115	V288 A289	V288-G291 PolarHBondContact O-N 2.72Å; V288-G291 VanDerWaalsContact O-N 3.08Å; A289-G291 VanDerWaalsContact C-N 3.3Å
292	E	97.9	Very high	97.9	Very high	67 Å²	67	78.8 Å²	78.8	31%	0.313	44%	0.438	S	S	.	.			trans	-80.3	161.1	173.8	-99.8	-84.2	-146.2	0	0	111.9	L287 I290 P294 R296 L299	L287-E292 VanDerWaalsContact O-CB 3.31Å; L287-E292 WeakPolarHBondContact O-CB 3.21Å; L287-E292 PolarHBondContact O-N 3.32Å; I290-E292 VanDerWaalsContact C-N 3.33Å; I290-E292 HydrophobicContact CD1-CB 4.42Å; I290-E292 HydrophobicContact CD1-CG 4.29Å; I290-E292 HydrophobicContact CG1-CB 4.07Å; I290-E292 HydrophobicContact CG1-CG 4.31Å; I290-E292 PolarHBondContact O-N 2.86Å; E292-P294 WeakPolarHBondContact O-CD 3.26Å; E292-R296 VanDerWaalsContact CD-NE 3.28Å; E292-R296 IonicContact OE1-CZ 2.84Å; E292-R296 IonicContact OE1-NE 3.16Å; E292-R296 PolarHBondContact OE1-NE 2.87Å; E292-R296 IonicContact OE1-NH2 3.74Å; E292-R296 PolarHBondContact OE1-NH2 2.86Å; E292-R296 WeakPolarHBondContact OE2-CD 3.45Å; E292-R296 IonicContact OE2-CZ 2.64Å; E292-R296 IonicContact OE2-NE 2.93Å; E292-R296 PolarHBondContact OE2-NE 2.67Å; E292-L299 HydrophobicContact CB-CD1 3.97Å; E292-L299 HydrophobicContact CG-CD1 4.16Å; E292-L299 WeakPolarHBondContact OE2-CD1 3.48Å
293	N	97.7	Very high	97.9	Very high	87 Å²	87	76.9 Å²	76.9	47%	0.465	42%	0.422	S	S	.	.			trans	-102.6	103.6	176.9	179.2	-2	0	0	0	110.2	N295 R296	N293-N295 PolarHBondContact O-N 2.98Å; N293-N295 WeakPolarHBondContact OD1-CB 3.06Å; N293-N295 PolarHBondContact OD1-N 3.39Å; N293-R296 WeakPolarHBondContact O-CG 3.35Å; N293-R296 PolarHBondContact O-N 2.91Å
294	P	97.2	Very high	97.9	Very high	15 Å²	15	77.2 Å²	77.2	10%	0.097	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24	-178.3	-23.5	34.1	0	0	0	113.9	L287 V288 E292 R296 L299 L300	L287-P294 HydrophobicContact CB-CG 4.23Å; V288-P294 HydrophobicContact CG2-CG 3.67Å; E292-P294 WeakPolarHBondContact O-CD 3.26Å; P294-R296 VanDerWaalsContact C-N 3.32Å; P294-R296 PolarHBondContact O-N 3.36Å; P294-L299 CarbonylContact O-C 3.5Å; P294-L300 PolarHBondContact O-N 2.86Å
295	N	97.1	Very high	97.8	Very high	123 Å²	123	79.9 Å²	79.9	66%	0.658	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-8	-179.9	-57.2	-62.7	0	0	0	113.7	N293	N293-N295 PolarHBondContact O-N 2.98Å; N293-N295 WeakPolarHBondContact OD1-CB 3.06Å; N293-N295 PolarHBondContact OD1-N 3.39Å
296	R	97.5	Very high	97.8	Very high	110 Å²	110	76.2 Å²	76.2	42%	0.415	42%	0.417	S	S	.	.	S	Bend	trans	-64.5	141.3	175.1	80.3	-178.6	176.4	79.5	-2.6	109.8	E292 N293 P294 G298 L299 L300	E292-R296 VanDerWaalsContact CD-NE 3.28Å; E292-R296 IonicContact OE1-CZ 2.84Å; E292-R296 IonicContact OE1-NE 3.16Å; E292-R296 PolarHBondContact OE1-NE 2.87Å; E292-R296 IonicContact OE1-NH2 3.74Å; E292-R296 PolarHBondContact OE1-NH2 2.86Å; E292-R296 WeakPolarHBondContact OE2-CD 3.45Å; E292-R296 IonicContact OE2-CZ 2.64Å; E292-R296 IonicContact OE2-NE 2.93Å; E292-R296 PolarHBondContact OE2-NE 2.67Å; N293-R296 WeakPolarHBondContact O-CG 3.35Å; N293-R296 PolarHBondContact O-N 2.91Å; P294-R296 VanDerWaalsContact C-N 3.32Å; P294-R296 PolarHBondContact O-N 3.36Å; R296-G298 PolarHBondContact O-N 2.71Å; R296-L299 HydrophobicContact CG-CB 3.98Å; R296-L299 HydrophobicContact CG-CD1 3.97Å; R296-L299 HydrophobicContact CG-CG 3.79Å; R296-L299 PolarHBondContact O-N 2.73Å; R296-L300 PolarHBondContact O-N 2.93Å
297	Q	97.3	Very high	97.8	Very high	183 Å²	183	72 Å²	72	86%	0.855	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-39.6	-173.1	-172.6	-171.3	6.3	0	0	114
298	G	97.5	Very high	97.7	Very high	39 Å²	39	76.1 Å²	76.1	40%	0.402	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-23.9	178.4	0	0	0	0	0	115.6	R296 T302 R305	R296-G298 PolarHBondContact O-N 2.71Å; G298-T302 PolarHBondContact O-OG1 2.85Å; G298-R305 PolarHBondContact O-NH2 2.84Å
299	L	98.1	Very high	97.6	Very high	10 Å²	10	74.8 Å²	74.8	5%	0.052	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-17.5	-176.2	-68.4	-175.9	0	0	0	115.2	L287 E292 P294 R296 K301 T302 P303	L287-L299 HydrophobicContact CD1-CB 4.35Å; L287-L299 HydrophobicContact CD1-CD1 4.21Å; L287-L299 HydrophobicContact CD1-CD2 4.16Å; L287-L299 HydrophobicContact CD1-CG 4.47Å; L287-L299 HydrophobicContact CD2-CD1 3.96Å; L287-L299 HydrophobicContact CD2-CD2 3.92Å; E292-L299 HydrophobicContact CB-CD1 3.97Å; E292-L299 HydrophobicContact CG-CD1 4.16Å; E292-L299 WeakPolarHBondContact OE2-CD1 3.48Å; P294-L299 CarbonylContact O-C 3.5Å; R296-L299 HydrophobicContact CG-CB 3.98Å; R296-L299 HydrophobicContact CG-CD1 3.97Å; R296-L299 HydrophobicContact CG-CG 3.79Å; R296-L299 PolarHBondContact O-N 2.73Å; L299-K301 PolarHBondContact O-N 3.08Å; L299-T302 HydrophobicContact CD2-CG2 3.93Å; L299-T302 WeakPolarHBondContact CD2-OG1 3.24Å; L299-T302 WeakPolarHBondContact O-CB 3.38Å; L299-T302 PolarHBondContact O-N 2.9Å; L299-P303 WeakPolarHBondContact O-CD 3.39Å
300	L	97.7	Very high	97.6	Very high	95 Å²	95	71.7 Å²	71.7	50%	0.497	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-28.8	-180	-70.1	172.5	0	0	0	115	P294 R296	P294-L300 PolarHBondContact O-N 2.86Å; R296-L300 PolarHBondContact O-N 2.93Å
301	K	97.5	Very high	97.5	Very high	141 Å²	141	67.8 Å²	67.8	61%	0.613	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	12.5	175.9	-62.9	-167.4	176.7	-172	0	113.8	L299 Q304 R305	L299-K301 PolarHBondContact O-N 3.08Å; K301-Q304 PolarHBondContact O-OE1 3.33Å; K301-R305 WeakPolarHBondContact O-CB 3Å; K301-R305 VanDerWaalsContact O-CG 3.23Å; K301-R305 WeakPolarHBondContact O-CG 3.39Å; K301-R305 PolarHBondContact O-N 2.67Å; K301-R305 VanDerWaalsContact O-N 3.15Å; K301-R305 PolarHBondContact O-NE 2.86Å
302	T	98.3	Very high	97.5	Very high	34 Å²	34	69.2 Å²	69.2	21%	0.209	34%	0.341	C	S	.	.	H	α-helix	trans	-72	-46.6	-179.4	-70.8	0	0	0	0	113.1	L287 G298 L299 Q304 R305 A306	L287-T302 HydrophobicContact CD1-CG2 4.19Å; G298-T302 PolarHBondContact O-OG1 2.85Å; L299-T302 HydrophobicContact CD2-CG2 3.93Å; L299-T302 WeakPolarHBondContact CD2-OG1 3.24Å; L299-T302 WeakPolarHBondContact O-CB 3.38Å; L299-T302 PolarHBondContact O-N 2.9Å; T302-Q304 VanDerWaalsContact C-N 3.27Å; T302-Q304 PolarHBondContact O-N 3.03Å; T302-R305 PolarHBondContact O-N 2.81Å; T302-R305 VanDerWaalsContact O-N 3.09Å; T302-R305 PolarHBondContact OG1-NH2 3.29Å; T302-A306 WeakPolarHBondContact O-CB 3.46Å; T302-A306 PolarHBondContact O-N 3.06Å
303	P	98.4	Very high	97.5	Very high	6 Å²	6	69.4 Å²	69.4	4%	0.039	34%	0.341	C	S	.	.	H	α-helix	trans	-55.4	-41.4	177.3	-28.9	37.2	0	0	0	113.5	I280 H284 L287 L299 A307	I280-P303 HydrophobicContact CG2-CB 4.11Å; I280-P303 WeakPolarHBondContact O-CB 3.35Å; H284-P303 HydrophobicContact CB-CB 4.34Å; H284-P303 HydrophobicContact CB-CG 4Å; L287-P303 HydrophobicContact CD1-CG 3.96Å; L299-P303 WeakPolarHBondContact O-CD 3.39Å; P303-A307 VanDerWaalsContact O-CB 3.24Å; P303-A307 WeakPolarHBondContact O-CB 3.35Å; P303-A307 PolarHBondContact O-N 3.21Å
304	Q	97.5	Very high	97.4	Very high	67 Å²	67	65.7 Å²	65.7	31%	0.313	32%	0.322	S	S	.	.	H	α-helix	trans	-69.8	-37	177.5	-55.7	83.5	-9.5	0	0	112.2	Y276 I280 K301 T302 K308	Y276-Q304 PolarHBondContact OH-O 2.76Å; I280-Q304 HydrophobicContact CD1-CB 4.4Å; I280-Q304 HydrophobicContact CD1-CG 3.85Å; I280-Q304 HydrophobicContact CG1-CB 4.47Å; I280-Q304 HydrophobicContact CG1-CG 4.1Å; K301-Q304 PolarHBondContact O-OE1 3.33Å; T302-Q304 VanDerWaalsContact C-N 3.27Å; T302-Q304 PolarHBondContact O-N 3.03Å; Q304-K308 WeakPolarHBondContact O-CG 3.25Å; Q304-K308 PolarHBondContact O-N 3.46Å
305	R	97.9	Very high	97.4	Very high	132 Å²	132	65.8 Å²	65.8	50%	0.498	32%	0.32	S	S	.	.	H	α-helix	trans	-68.6	-47.6	174.1	-76.6	175.6	-65.4	-173.5	5	111.3	G298 K301 T302 A307 K308 S309	G298-R305 PolarHBondContact O-NH2 2.84Å; K301-R305 WeakPolarHBondContact O-CB 3Å; K301-R305 VanDerWaalsContact O-CG 3.23Å; K301-R305 WeakPolarHBondContact O-CG 3.39Å; K301-R305 PolarHBondContact O-N 2.67Å; K301-R305 VanDerWaalsContact O-N 3.15Å; K301-R305 PolarHBondContact O-NE 2.86Å; T302-R305 PolarHBondContact O-N 2.81Å; T302-R305 VanDerWaalsContact O-N 3.09Å; T302-R305 PolarHBondContact OG1-NH2 3.29Å; R305-A307 PolarHBondContact O-N 3.42Å; R305-K308 PolarHBondContact O-N 3.38Å; R305-S309 PolarHBondContact O-N 2.82Å; R305-S309 PolarHBondContact O-OG 3.46Å
306	A	98	Very high	97.4	Very high	23 Å²	23	60 Å²	60	19%	0.19	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-43.3	179.2	0	0	0	0	0	112	Y283 T302 K308 S309 I310	Y283-A306 HydrophobicContact CD1-CB 3.7Å; Y283-A306 HydrophobicContact CD2-CB 3.55Å; Y283-A306 HydrophobicContact CE1-CB 3.91Å; Y283-A306 VanDerWaalsContact CE2-C 3.45Å; Y283-A306 HydrophobicContact CE2-CB 3.75Å; Y283-A306 HydrophobicContact CG-CB 3.54Å; T302-A306 WeakPolarHBondContact O-CB 3.46Å; T302-A306 PolarHBondContact O-N 3.06Å; A306-K308 PolarHBondContact O-N 3.14Å; A306-S309 PolarHBondContact O-N 2.83Å; A306-S309 VanDerWaalsContact O-N 3.17Å; A306-I310 PolarHBondContact O-N 3.48Å
307	A	97.3	Very high	97.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-43.6	172.6	0	0	0	0	0	112.3	Y276 L279 I280 Y283 P303 R305 L311	Y276-A307 HydrophobicContact CD2-CB 3.89Å; Y276-A307 HydrophobicContact CE2-CB 3.67Å; L279-A307 HydrophobicContact CB-CB 3.69Å; I280-A307 HydrophobicContact CG1-CB 3.99Å; Y283-A307 HydrophobicContact CD2-CB 4.29Å; P303-A307 VanDerWaalsContact O-CB 3.24Å; P303-A307 WeakPolarHBondContact O-CB 3.35Å; P303-A307 PolarHBondContact O-N 3.21Å; R305-A307 PolarHBondContact O-N 3.42Å; A307-L311 WeakPolarHBondContact O-CB 3.4Å; A307-L311 WeakPolarHBondContact O-CD1 3.37Å; A307-L311 VanDerWaalsContact O-CG 3.23Å; A307-L311 WeakPolarHBondContact O-CG 3.41Å; A307-L311 PolarHBondContact O-N 2.98Å
308	K	96.4	Very high	97.1	Very high	105 Å²	105	48.8 Å²	48.8	46%	0.457	24%	0.24	S	C	.	.	H	α-helix	trans	-65.1	-41	173.7	-72.5	-175	-179.5	-168.8	0	112.7	Y244 Y276 Q304 R305 A306 Y312	Y244-K308 PolarHBondContact OH-NZ 3.23Å; Y276-K308 HydrophobicContact CE2-CG 3.77Å; Y276-K308 WeakPolarHBondContact OH-CE 3.45Å; Q304-K308 WeakPolarHBondContact O-CG 3.25Å; Q304-K308 PolarHBondContact O-N 3.46Å; R305-K308 PolarHBondContact O-N 3.38Å; A306-K308 PolarHBondContact O-N 3.14Å; K308-Y312 PolarHBondContact O-N 3.06Å
309	S	97.4	Very high	96.8	Very high	53 Å²	53	48.3 Å²	48.3	37%	0.371	23%	0.227	S	C	.	.	H	α-helix	trans	-63.9	-48	179.6	-62.7	0	0	0	0	112.4	R305 A306 L311 Y312 F313	R305-S309 PolarHBondContact O-N 2.82Å; R305-S309 PolarHBondContact O-OG 3.46Å; A306-S309 PolarHBondContact O-N 2.83Å; A306-S309 VanDerWaalsContact O-N 3.17Å; S309-L311 VanDerWaalsContact C-N 3.34Å; S309-L311 PolarHBondContact O-N 3.08Å; S309-Y312 PolarHBondContact O-N 2.92Å; S309-Y312 VanDerWaalsContact O-N 3.14Å; S309-F313 VanDerWaalsContact O-CD2 3.27Å; S309-F313 WeakPolarHBondContact O-CD2 3.17Å; S309-F313 WeakPolarHBondContact O-CG 3.32Å; S309-F313 PolarHBondContact O-N 3.33Å
310	I	97.1	Very high	96.4	Very high	22 Å²	22	50.5 Å²	50.5	11%	0.113	24%	0.243	C	C	.	.	H	α-helix	trans	-67.8	-34.7	-179.1	-164.9	61.6	0	0	0	112.1	L279 Y283 A306 Y312 F313 T314 M348	L279-I310 HydrophobicContact CD1-CG2 4.03Å; L279-I310 HydrophobicContact CD2-CG2 4.12Å; Y283-I310 HydrophobicContact CE2-CG2 3.83Å; Y283-I310 WeakPolarHBondContact OH-CB 3.5Å; A306-I310 PolarHBondContact O-N 3.48Å; I310-Y312 VanDerWaalsContact C-N 3.35Å; I310-F313 HydrophobicContact CD1-CD2 4.49Å; I310-F313 PolarHBondContact O-N 3.09Å; I310-T314 HydrophobicContact CD1-CG2 4.41Å; I310-T314 WeakPolarHBondContact O-CB 3.5Å; I310-T314 WeakPolarHBondContact O-CG2 3.3Å; I310-T314 PolarHBondContact O-N 3.5Å; I310-T314 PolarHBondContact O-OG1 3.23Å; I310-M348 HydrophobicContact CD1-CE 4.22Å
311	L	96	Very high	96	Very high	38 Å²	38	46.6 Å²	46.6	20%	0.199	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-41.9	170.9	-70.9	171.8	0	0	0	111.3	Y276 L279 A307 S309 T314 K315	Y276-L311 HydrophobicContact CD2-CD1 3.91Å; L279-L311 HydrophobicContact CD1-CD1 4.14Å; L279-L311 HydrophobicContact CD1-CD2 3.8Å; L279-L311 HydrophobicContact CD1-CG 3.77Å; A307-L311 WeakPolarHBondContact O-CB 3.4Å; A307-L311 WeakPolarHBondContact O-CD1 3.37Å; A307-L311 VanDerWaalsContact O-CG 3.23Å; A307-L311 WeakPolarHBondContact O-CG 3.41Å; A307-L311 PolarHBondContact O-N 2.98Å; S309-L311 VanDerWaalsContact C-N 3.34Å; S309-L311 PolarHBondContact O-N 3.08Å; L311-T314 CarbonylContact O-C 3.56Å; L311-T314 PolarHBondContact O-N 3.18Å; L311-T314 PolarHBondContact O-OG1 3.33Å; L311-K315 PolarHBondContact O-N 3.25Å; L311-K315 VanDerWaalsContact O-N 3.09Å
312	Y	96.9	Very high	95.5	Very high	104 Å²	104	45 Å²	45	41%	0.408	22%	0.222	S	C	.	.	H	α-helix	trans	-66.4	-40.8	175	-178.1	-96.5	0	0	0	113	K308 S309 I310 T314 K315	K308-Y312 PolarHBondContact O-N 3.06Å; S309-Y312 PolarHBondContact O-N 2.92Å; S309-Y312 VanDerWaalsContact O-N 3.14Å; I310-Y312 VanDerWaalsContact C-N 3.35Å; Y312-T314 PolarHBondContact O-N 3.11Å; Y312-K315 HydrophobicContact CD2-CD 4.12Å; Y312-K315 HydrophobicContact CE2-CD 3.9Å; Y312-K315 VanDerWaalsContact O-CG 3.31Å; Y312-K315 WeakPolarHBondContact O-CG 3.46Å; Y312-K315 PolarHBondContact O-N 3.08Å; Y312-K315 PolarHBondContact OH-NZ 2.84Å; Y312-K315 VanDerWaalsContact OH-NZ 3.12Å
313	F	97.9	Very high	95	Very high	71 Å²	71	48.1 Å²	48.1	31%	0.311	24%	0.237	S	C	.	.	H	α-helix	trans	-69.3	-14.5	176.7	-57.2	-31.3	0	0	0	113.4	S309 I310 M348 R385 R386	S309-F313 VanDerWaalsContact O-CD2 3.27Å; S309-F313 WeakPolarHBondContact O-CD2 3.17Å; S309-F313 WeakPolarHBondContact O-CG 3.32Å; S309-F313 PolarHBondContact O-N 3.33Å; I310-F313 HydrophobicContact CD1-CD2 4.49Å; I310-F313 PolarHBondContact O-N 3.09Å; F313-M348 HydrophobicContact CB-CG 4Å; F313-M348 HydrophobicContact CD2-CE 4.34Å; F313-M348 HydrophobicContact CD2-SD 4.12Å; F313-M348 HydrophobicContact CG-SD 4.48Å; F313-R385 CarbonylContact O-C 3.45Å; F313-R385 VanDerWaalsContact O-CA 3.28Å; F313-R385 WeakPolarHBondContact O-CA 3.46Å; F313-R386 PolarHBondContact O-N 2.99Å
314	T	97.4	Very high	94.4	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.055	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	12.2	-179.7	56.6	0	0	0	0	113.9	R89 I310 L311 Y312 G316 Y317 R385 L387	R89-T314 PolarHBondContact NH2-OG1 2.98Å; I310-T314 HydrophobicContact CD1-CG2 4.41Å; I310-T314 WeakPolarHBondContact O-CB 3.5Å; I310-T314 WeakPolarHBondContact O-CG2 3.3Å; I310-T314 PolarHBondContact O-N 3.5Å; I310-T314 PolarHBondContact O-OG1 3.23Å; L311-T314 CarbonylContact O-C 3.56Å; L311-T314 PolarHBondContact O-N 3.18Å; L311-T314 PolarHBondContact O-OG1 3.33Å; Y312-T314 PolarHBondContact O-N 3.11Å; T314-G316 PolarHBondContact O-N 2.65Å; T314-G316 VanDerWaalsContact O-N 3.14Å; T314-Y317 HydrophobicContact CG2-CE2 4.18Å; T314-Y317 VanDerWaalsContact O-CD2 3.23Å; T314-Y317 WeakPolarHBondContact O-CD2 3.49Å; T314-Y317 PolarHBondContact O-N 2.89Å; T314-R385 CarbonylContact C-O 3.56Å; T314-R385 WeakPolarHBondContact CA-O 3.44Å; T314-L387 HydrophobicContact CG2-CD2 4.21Å; T314-L387 HydrophobicContact CG2-CG 4.4Å
315	K	96.2	Very high	93.8	Very high	17 Å²	17	46 Å²	46	7%	0.074	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-60.2	-21.9	180	70.6	-177.4	177	171.2	0	114.1	Y94 L311 Y312 Y317 E318 E381 R385	Y94-K315 HydrophobicContact CE1-CB 4.31Å; Y94-K315 HydrophobicContact CE2-CB 4.13Å; L311-K315 PolarHBondContact O-N 3.25Å; L311-K315 VanDerWaalsContact O-N 3.09Å; Y312-K315 HydrophobicContact CD2-CD 4.12Å; Y312-K315 HydrophobicContact CE2-CD 3.9Å; Y312-K315 VanDerWaalsContact O-CG 3.31Å; Y312-K315 WeakPolarHBondContact O-CG 3.46Å; Y312-K315 PolarHBondContact O-N 3.08Å; Y312-K315 PolarHBondContact OH-NZ 2.84Å; Y312-K315 VanDerWaalsContact OH-NZ 3.12Å; K315-Y317 PolarHBondContact O-N 3.23Å; K315-E318 WeakPolarHBondContact O-CB 3.34Å; K315-E318 PolarHBondContact O-N 3.27Å; K315-E381 VanDerWaalsContact CE-OE2 3.25Å; K315-E381 WeakPolarHBondContact CE-OE2 3.42Å; K315-E381 IonicContact NZ-OE2 2.65Å; K315-E381 PolarHBondContact NZ-OE2 2.96Å; K315-R385 VanDerWaalsContact CE-CG 3.5Å; K315-R385 HydrophobicContact CG-CB 3.86Å; K315-R385 HydrophobicContact CG-CG 4.35Å; K315-R385 PolarHBondContact N-O 2.74Å
316	G	96.8	Very high	92.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-69.9	-9.1	-177.1	0	0	0	0	0	114.6	T314 E318 I382 R385 R386	T314-G316 PolarHBondContact O-N 2.65Å; T314-G316 VanDerWaalsContact O-N 3.14Å; G316-E318 VanDerWaalsContact C-N 3.26Å; G316-I382 CarbonylContact C-O 3.6Å; G316-I382 WeakPolarHBondContact CA-O 3.35Å; G316-R385 VanDerWaalsContact CA-O 3.28Å; G316-R385 WeakPolarHBondContact CA-O 3.38Å; G316-R385 PolarHBondContact N-O 3Å; G316-R386 PolarHBondContact O-NE 3.18Å; G316-R386 PolarHBondContact O-NH2 3.13Å
317	Y	95.9	Very high	91.8	Very high	39 Å²	39	51 Å²	51	15%	0.153	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-77.1	-11.8	166.1	-60.9	-56.9	0	0	0	113.3	P86 T314 K315 R386 L387	P86-Y317 HydrophobicContact CB-CD1 4.42Å; P86-Y317 HydrophobicContact CB-CE1 3.65Å; P86-Y317 HydrophobicContact CG-CD1 4.18Å; P86-Y317 HydrophobicContact CG-CE1 3.63Å; T314-Y317 HydrophobicContact CG2-CE2 4.18Å; T314-Y317 VanDerWaalsContact O-CD2 3.23Å; T314-Y317 WeakPolarHBondContact O-CD2 3.49Å; T314-Y317 PolarHBondContact O-N 2.89Å; K315-Y317 PolarHBondContact O-N 3.23Å; Y317-R386 HydrophobicContact CD1-CB 4.39Å; Y317-R386 HydrophobicContact CD1-CG 3.8Å; Y317-R386 HydrophobicContact CE1-CB 3.71Å; Y317-R386 HydrophobicContact CE1-CG 3.6Å; Y317-R386 HydrophobicContact CE2-CB 4.23Å; Y317-R386 HydrophobicContact CE2-CG 4.44Å; Y317-R386 HydrophobicContact CG-CG 4.3Å; Y317-L387 WeakPolarHBondContact OH-CB 3.44Å; Y317-L387 PolarHBondContact OH-N 3.13Å; Y317-L387 PolarHBondContact OH-O 3.5Å
318	E	92.5	Very high	91.3	Very high	20 Å²	20	51.8 Å²	51.8	9%	0.093	27%	0.267	C	S	.	.	S	Bend	trans	-116.7	8.2	-171.5	-57.9	162.7	126.4	0	0	112.3	R89 Y94 K315 G316	R89-E318 HydrophobicContact CB-CG 4.44Å; R89-E318 VanDerWaalsContact CD-OE1 3.26Å; R89-E318 WeakPolarHBondContact CD-OE1 3.43Å; R89-E318 IonicContact CZ-OE1 3.82Å; R89-E318 IonicContact CZ-OE2 3.52Å; R89-E318 IonicContact NE-OE1 2.67Å; R89-E318 IonicContact NH1-OE1 2.72Å; R89-E318 PolarHBondContact NH1-OE1 2.87Å; R89-E318 IonicContact NH1-OE2 2.73Å; R89-E318 PolarHBondContact NH1-OE2 2.88Å; Y94-E318 WeakPolarHBondContact CB-OE1 3.28Å; Y94-E318 WeakPolarHBondContact CB-OE2 3.46Å; Y94-E318 HydrophobicContact CD1-CB 3.66Å; Y94-E318 HydrophobicContact CD1-CG 4.46Å; Y94-E318 HydrophobicContact CE1-CB 4.37Å; Y94-E318 HydrophobicContact CG-CB 4.25Å; K315-E318 WeakPolarHBondContact O-CB 3.34Å; K315-E318 PolarHBondContact O-N 3.27Å; G316-E318 VanDerWaalsContact C-N 3.26Å
319	E	91.4	Very high	90.8	Very high	28 Å²	28	49 Å²	49	13%	0.131	26%	0.257	C	S	.	.			trans	-123.8	128.3	179.5	-57.6	-165.7	144.1	0	0	109.8	Y94 K98 I324 I382	Y94-E319 HydrophobicContact CE1-CG 4.18Å; Y94-E319 PolarHBondContact OH-OE1 3.07Å; K98-E319 IonicContact NZ-OE1 3.54Å; K98-E319 PolarHBondContact NZ-OE1 3.13Å; E319-I324 HydrophobicContact CB-CD1 4.29Å; E319-I382 HydrophobicContact CB-CG1 4.37Å
320	C	90.7	Very high	90.5	Very high	57 Å²	57	51.3 Å²	51.3	39%	0.385	26%	0.26	S	S	.	.			trans	-93.3	150.7	174.7	-169.8	0	0	0	0	110.7	N322 D323	C320-N322 VanDerWaalsContact C-N 3.33Å; C320-D323 HydrophobicContact CB-CB 4.37Å; C320-D323 WeakPolarHBondContact CB-OD2 3.34Å
321	V	89.1	Confident	90.1	Very high	13 Å²	13	55.5 Å²	55.5	8%	0.079	28%	0.282	C	S	.	.	S	Bend	trans	-61.2	-44.3	173.5	179.4	0	0	0	0	110.4	D323 I324 L325 I379 I382 Y383 A400 S404	V321-D323 PolarHBondContact O-N 3.48Å; V321-I324 CarbonylContact O-C 3.51Å; V321-I324 WeakPolarHBondContact O-CA 3.49Å; V321-I324 WeakPolarHBondContact O-CB 3.46Å; V321-I324 PolarHBondContact O-N 2.84Å; V321-L325 HydrophobicContact CG1-CD1 4.36Å; V321-L325 HydrophobicContact CG1-CD2 4.46Å; V321-L325 HydrophobicContact CG1-CG 4.21Å; V321-L325 WeakPolarHBondContact O-CG 3.47Å; V321-L325 PolarHBondContact O-N 2.74Å; V321-I379 HydrophobicContact CG1-CD1 4.17Å; V321-I379 HydrophobicContact CG1-CG1 4.19Å; V321-I382 HydrophobicContact CB-CD1 4.26Å; V321-I382 HydrophobicContact CG2-CD1 3.78Å; V321-Y383 HydrophobicContact CG2-CE2 3.99Å; V321-Y383 WeakPolarHBondContact CG2-OH 3.4Å; V321-A400 HydrophobicContact CG2-CB 4.18Å; V321-S404 WeakPolarHBondContact CG1-OG 3.46Å
322	N	87.5	Confident	89.5	Confident	108 Å²	108	58.7 Å²	58.7	58%	0.578	30%	0.296	S	S	*	.	H	α-helix	trans	-59.4	-47.7	-177.3	-61.4	-10.1	0	0	0	112.2	C320 I324 L325	C320-N322 VanDerWaalsContact C-N 3.33Å; N322-I324 PolarHBondContact O-N 2.83Å; N322-L325 PolarHBondContact O-N 3.1Å; N322-L325 VanDerWaalsContact O-N 3.1Å
323	D	87.7	Confident	89	Confident	98 Å²	98	62.2 Å²	62.2	52%	0.524	32%	0.316	S	S	.	.	H	α-helix	trans	-60.6	-14.6	175.1	-52.8	-12.2	0	0	0	113.9	C320 V321 N326	C320-D323 HydrophobicContact CB-CB 4.37Å; C320-D323 WeakPolarHBondContact CB-OD2 3.34Å; V321-D323 PolarHBondContact O-N 3.48Å; D323-N326 PolarHBondContact O-ND2 2.73Å; D323-N326 PolarHBondContact O-OD1 2.79Å
324	I	85.1	Confident	88.6	Confident	14 Å²	14	62 Å²	62	7%	0.072	32%	0.316	C	S	.	.	H	α-helix	trans	-100.6	-31.7	178.9	-89.1	165.6	0	0	0	111.3	E319 V321 N322 K375 R378 I382	E319-I324 HydrophobicContact CB-CD1 4.29Å; V321-I324 CarbonylContact O-C 3.51Å; V321-I324 WeakPolarHBondContact O-CA 3.49Å; V321-I324 WeakPolarHBondContact O-CB 3.46Å; V321-I324 PolarHBondContact O-N 2.84Å; N322-I324 PolarHBondContact O-N 2.83Å; I324-K375 VanDerWaalsContact O-CD 3.24Å; I324-K375 WeakPolarHBondContact O-CD 3.49Å; I324-K375 WeakPolarHBondContact O-CE 3.39Å; I324-K375 PolarHBondContact O-NZ 2.9Å; I324-R378 HydrophobicContact CG2-CB 3.59Å; I324-R378 HydrophobicContact CG2-CG 4.43Å; I324-I382 HydrophobicContact CB-CD1 4.34Å; I324-I382 HydrophobicContact CD1-CD1 3.56Å; I324-I382 HydrophobicContact CD1-CG1 3.58Å; I324-I382 HydrophobicContact CG2-CD1 4.37Å
325	L	84.5	Confident	88.3	Confident	16 Å²	16	65.8 Å²	65.8	8%	0.084	34%	0.336	C	S	.	.	H	α-helix	trans	-59.5	-50.1	175.8	-66.6	175.4	0	0	0	111.6	V321 N322 D327 A328 I329 L371 K375	V321-L325 HydrophobicContact CG1-CD1 4.36Å; V321-L325 HydrophobicContact CG1-CD2 4.46Å; V321-L325 HydrophobicContact CG1-CG 4.21Å; V321-L325 WeakPolarHBondContact O-CG 3.47Å; V321-L325 PolarHBondContact O-N 2.74Å; N322-L325 PolarHBondContact O-N 3.1Å; N322-L325 VanDerWaalsContact O-N 3.1Å; L325-D327 PolarHBondContact O-N 2.97Å; L325-A328 PolarHBondContact O-N 3.49Å; L325-I329 HydrophobicContact CD1-CD1 4.49Å; L325-L371 HydrophobicContact CD2-CD1 3.63Å; L325-L371 HydrophobicContact CD2-CD2 4.41Å; L325-K375 WeakPolarHBondContact O-CE 3.32Å; L325-K375 PolarHBondContact O-NZ 3.11Å
326	N	77.7	Confident	88.2	Confident	102 Å²	102	71.3 Å²	71.3	55%	0.545	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	35.4	64.6	178	-62.8	-13.8	0	0	0	112.7	D323 A328	D323-N326 PolarHBondContact O-ND2 2.73Å; D323-N326 PolarHBondContact O-OD1 2.79Å; N326-A328 PolarHBondContact O-N 2.82Å
327	D	76.9	Confident	88.2	Confident	158 Å²	158	72.8 Å²	72.8	85%	0.845	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	11.9	173.7	-46.9	-40.5	0	0	0	117	L325 I329	L325-D327 PolarHBondContact O-N 2.97Å; D327-I329 PolarHBondContact O-N 2.72Å
328	A	85.3	Confident	88.3	Confident	15 Å²	15	72.1 Å²	72.1	12%	0.124	37%	0.37	C	S	.	.			trans	-83.5	40.7	176.2	0	0	0	0	0	113	L325 N326 F330 G372 K375	L325-A328 PolarHBondContact O-N 3.49Å; N326-A328 PolarHBondContact O-N 2.82Å; A328-F330 HydrophobicContact CB-CE2 3.95Å; A328-F330 HydrophobicContact CB-CZ 4Å; A328-F330 WeakPolarHBondContact O-CE2 3.45Å; A328-G372 PolarHBondContact O-N 3.48Å; A328-K375 HydrophobicContact CB-CD 4.44Å; A328-K375 HydrophobicContact CB-CG 4.29Å
329	I	87.3	Confident	88.5	Confident	48 Å²	48	73.4 Å²	73.4	25%	0.246	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115.4	167.7	-60.3	172.9	0	0	0	105.5	L325 D327 K369 I370 L371 I405	L325-I329 HydrophobicContact CD1-CD1 4.49Å; D327-I329 PolarHBondContact O-N 2.72Å; I329-K369 HydrophobicContact CG2-CB 3.9Å; I329-K369 HydrophobicContact CG2-CD 4.06Å; I329-K369 HydrophobicContact CG2-CG 4.17Å; I329-I370 WeakPolarHBondContact CA-O 3.35Å; I329-L371 HydrophobicContact CG1-CD1 3.98Å; I329-I405 HydrophobicContact CD1-CG2 4.06Å; I329-I405 HydrophobicContact CG1-CG2 4.15Å
330	F	90.7	Very high	88.7	Confident	101 Å²	101	73.8 Å²	73.8	44%	0.443	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.4	-173.9	-52.1	-85.9	0	0	0	109.2	A328 E332 K369 I370	A328-F330 HydrophobicContact CB-CE2 3.95Å; A328-F330 HydrophobicContact CB-CZ 4Å; A328-F330 WeakPolarHBondContact O-CE2 3.45Å; F330-E332 HydrophobicContact CB-CG 4.19Å; F330-E332 PolarHBondContact O-N 2.99Å; F330-E332 VanDerWaalsContact O-N 3.16Å; F330-K369 WeakPolarHBondContact O-CA 3.31Å; F330-I370 HydrophobicContact CB-CD1 4.49Å; F330-I370 HydrophobicContact CB-CG1 3.91Å; F330-I370 HydrophobicContact CD2-CG1 4.38Å; F330-I370 PolarHBondContact N-O 3.04Å; F330-I370 PolarHBondContact O-N 3.24Å
331	D	88.1	Confident	89	Confident	109 Å²	109	75.4 Å²	75.4	58%	0.583	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	96.6	173	-76.2	-66.4	0	0	0	109.1	K368 K369	D331-K368 CarbonylContact C-O 3.6Å; D331-K368 WeakPolarHBondContact CA-O 3.12Å; D331-K369 VanDerWaalsContact OD1-CE 3.24Å; D331-K369 WeakPolarHBondContact OD1-CE 3.46Å; D331-K369 VanDerWaalsContact OD1-CG 3.25Å; D331-K369 WeakPolarHBondContact OD1-CG 3.4Å; D331-K369 IonicContact OD1-NZ 2.89Å; D331-K369 PolarHBondContact OD1-NZ 3.22Å; D331-K369 IonicContact OD2-NZ 2.7Å; D331-K369 PolarHBondContact OD2-NZ 2.97Å
332	E	84.6	Confident	89.3	Confident	105 Å²	105	77.6 Å²	77.6	49%	0.491	39%	0.393	S	S	.	.			trans	-126.1	137.4	-176.4	-76.3	-71.3	-178.9	0	0	109.4	F330 H334 K368 I370	F330-E332 HydrophobicContact CB-CG 4.19Å; F330-E332 PolarHBondContact O-N 2.99Å; F330-E332 VanDerWaalsContact O-N 3.16Å; E332-H334 PolarHBondContact O-N 3.49Å; E332-K368 PolarHBondContact N-O 3.35Å; E332-K368 CarbonylContact O-C 3.59Å; E332-K368 VanDerWaalsContact O-C 3.24Å; E332-K368 WeakPolarHBondContact O-CA 3.22Å; E332-K368 VanDerWaalsContact O-O 3.09Å; E332-I370 HydrophobicContact CB-CD1 4.14Å; E332-I370 HydrophobicContact CB-CG1 4.05Å; E332-I370 HydrophobicContact CB-CG2 4.23Å; E332-I370 HydrophobicContact CG-CD1 3.76Å; E332-I370 HydrophobicContact CG-CG1 3.93Å
333	H	84.7	Confident	89.8	Confident	178 Å²	178	73.2 Å²	73.2	82%	0.824	37%	0.369	S	S	*	.			trans	-81.9	41.9	-177.3	-64.5	-31.8	0	0	0	113.2
334	H	90.5	Very high	90.3	Very high	67 Å²	67	74.6 Å²	74.6	31%	0.31	37%	0.372	S	S	.	.			trans	-103.2	135	172.7	-173.9	60.6	0	0	0	109.7	E332 E336 V338 P366	E332-H334 PolarHBondContact O-N 3.49Å; H334-E336 IonicContact CE1-OE2 2.64Å; H334-E336 PolarHBondContact CE1-OE2 3.22Å; H334-E336 IonicContact ND1-OE2 3.4Å; H334-V338 VanDerWaalsContact CD2-CG2 3.48Å; H334-V338 WeakPolarHBondContact CD2-CG2 3.33Å; H334-P366 WeakPolarHBondContact O-CB 3.36Å
335	D	91.3	Very high	90.9	Very high	89 Å²	89	74 Å²	74	48%	0.476	37%	0.369	S	S	.	.			trans	-143.8	17.7	-175.8	83	-48.4	0	0	0	114.3	I365 K408	D335-I365 VanDerWaalsContact O-CG2 3.24Å; D335-I365 WeakPolarHBondContact O-CG2 3.3Å; D335-K408 PolarHBondContact O-NZ 3.44Å; D335-K408 IonicContact OD2-NZ 2.74Å; D335-K408 PolarHBondContact OD2-NZ 3.16Å
336	E	94.4	Very high	91.6	Very high	133 Å²	133	77.6 Å²	77.6	62%	0.621	39%	0.385	S	S	*	.	S	Bend	trans	-92.3	-177.8	170.6	-53.4	178.3	114.9	0	0	111.6	H334 V338 P366	H334-E336 IonicContact CE1-OE2 2.64Å; H334-E336 PolarHBondContact CE1-OE2 3.22Å; H334-E336 IonicContact ND1-OE2 3.4Å; E336-V338 PolarHBondContact O-N 3.15Å; E336-P366 WeakPolarHBondContact O-CD 3.44Å
337	L	96.3	Very high	92.6	Very high	30 Å²	30	72.9 Å²	72.9	16%	0.157	36%	0.359	C	S	.	.			trans	-79.4	109.6	-173.4	179.8	59.5	0	0	0	113.3	I339 I365 L442 E451 F452	L337-I339 HydrophobicContact CD1-CG1 4.32Å; L337-I339 HydrophobicContact CD2-CD1 3.95Å; L337-I339 HydrophobicContact CD2-CG1 4.27Å; L337-I339 HydrophobicContact CG-CD1 4.11Å; L337-I339 HydrophobicContact CG-CG1 3.88Å; L337-I365 HydrophobicContact CB-CG1 4.46Å; L337-I365 HydrophobicContact CD1-CG1 3.95Å; L337-L442 HydrophobicContact CD1-CD1 4.05Å; L337-L442 HydrophobicContact CD1-CD2 4.34Å; L337-E451 HydrophobicContact CD2-CG 4.24Å; L337-F452 HydrophobicContact CD2-CB 3.91Å
338	V	96.8	Very high	93.6	Very high	25 Å²	25	66 Å²	66	15%	0.152	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.8	172.8	-178.8	0	0	0	0	110.1	H334 E336 G363 Y364 P366 L373	H334-V338 VanDerWaalsContact CD2-CG2 3.48Å; H334-V338 WeakPolarHBondContact CD2-CG2 3.33Å; E336-V338 PolarHBondContact O-N 3.15Å; V338-G363 CarbonylContact O-C 2.97Å; V338-G363 VanDerWaalsContact O-CA 3.28Å; V338-G363 WeakPolarHBondContact O-CA 3.48Å; V338-Y364 HydrophobicContact CB-CD1 4.13Å; V338-Y364 HydrophobicContact CB-CE1 3.75Å; V338-Y364 HydrophobicContact CG1-CD1 4.39Å; V338-Y364 HydrophobicContact CG1-CE1 3.66Å; V338-Y364 PolarHBondContact N-O 2.7Å; V338-Y364 PolarHBondContact O-N 2.67Å; V338-P366 HydrophobicContact CG2-CG 3.77Å; V338-L373 HydrophobicContact CG1-CD2 4.41Å
339	I	97	Very high	94.2	Very high	47 Å²	47	65.7 Å²	65.7	24%	0.241	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.7	178.5	-54.2	177.9	0	0	0	111	L337 K341 I362 F452 L455 A456	L337-I339 HydrophobicContact CD1-CG1 4.32Å; L337-I339 HydrophobicContact CD2-CD1 3.95Å; L337-I339 HydrophobicContact CD2-CG1 4.27Å; L337-I339 HydrophobicContact CG-CD1 4.11Å; L337-I339 HydrophobicContact CG-CG1 3.88Å; I339-K341 HydrophobicContact CG2-CB 4.22Å; I339-I362 CarbonylContact C-O 3.24Å; I339-I362 WeakPolarHBondContact CA-O 3.28Å; I339-F452 HydrophobicContact CD1-CD2 4.03Å; I339-F452 HydrophobicContact CG1-CD2 4.24Å; I339-L455 HydrophobicContact CD1-CB 3.47Å; I339-L455 VanDerWaalsContact CD1-CB 3.47Å; I339-L455 HydrophobicContact CD1-CD1 3.94Å; I339-L455 HydrophobicContact CD1-CG 4.37Å; I339-A456 HydrophobicContact CG2-CB 4.21Å
340	V	97.4	Very high	94.7	Very high	36 Å²	36	66.5 Å²	66.5	22%	0.218	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	112.7	159	-180	0	0	0	0	107.9	I343 I362 L373 L376	V340-I343 HydrophobicContact CB-CD1 4.48Å; V340-I343 HydrophobicContact CG1-CD1 3.89Å; V340-I343 HydrophobicContact CG1-CG1 3.88Å; V340-I362 PolarHBondContact N-O 3.18Å; V340-I362 PolarHBondContact O-N 3.42Å; V340-L373 HydrophobicContact CG2-CB 4.38Å; V340-L373 HydrophobicContact CG2-CD2 3.85Å; V340-L376 HydrophobicContact CB-CD1 3.89Å; V340-L376 HydrophobicContact CG2-CD1 3.51Å
341	K	95.7	Very high	95.1	Very high	92 Å²	92	68 Å²	68	40%	0.4	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	173.7	179.6	65.2	168.3	-175.5	-173	0	112.9	I339 I343 S361 L455	I339-K341 HydrophobicContact CG2-CB 4.22Å; K341-I343 PolarHBondContact O-N 2.97Å; K341-S361 VanDerWaalsContact CB-OG 3.31Å; K341-S361 WeakPolarHBondContact CB-OG 3.06Å; K341-L455 PolarHBondContact NZ-O 3.18Å
342	D	95.5	Very high	95.5	Very high	58 Å²	58	66.5 Å²	66.5	31%	0.31	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	63.3	20.8	175	-60.4	-58.8	0	0	0	115	E344 V360 R458	D342-E344 PolarHBondContact O-N 3.44Å; D342-V360 PolarHBondContact N-O 3.37Å; D342-R458 IonicContact OD1-CZ 3.18Å; D342-R458 IonicContact OD1-NE 2.67Å; D342-R458 PolarHBondContact OD1-NE 3.21Å; D342-R458 IonicContact OD1-NH2 2.79Å; D342-R458 PolarHBondContact OD1-NH2 2.92Å
343	I	97.7	Very high	96.2	Very high	16 Å²	16	66.3 Å²	66.3	8%	0.082	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	115.3	177.1	-53.1	172	0	0	0	109.3	V340 K341 H359 V360 I362 A377 V380	V340-I343 HydrophobicContact CB-CD1 4.48Å; V340-I343 HydrophobicContact CG1-CD1 3.89Å; V340-I343 HydrophobicContact CG1-CG1 3.88Å; K341-I343 PolarHBondContact O-N 2.97Å; I343-H359 CarbonylContact O-C 3.47Å; I343-H359 VanDerWaalsContact O-CA 3.25Å; I343-H359 WeakPolarHBondContact O-CA 3.19Å; I343-V360 HydrophobicContact CB-CB 4.37Å; I343-V360 WeakPolarHBondContact CB-O 3.39Å; I343-V360 PolarHBondContact N-O 3.28Å; I343-V360 VanDerWaalsContact N-O 3.1Å; I343-V360 PolarHBondContact O-N 3.07Å; I343-I362 HydrophobicContact CD1-CD1 3.87Å; I343-I362 HydrophobicContact CD1-CG1 4.28Å; I343-A377 HydrophobicContact CG2-CB 3.88Å; I343-V380 HydrophobicContact CD1-CG2 4.29Å; I343-V380 HydrophobicContact CG2-CB 4.43Å; I343-V380 HydrophobicContact CG2-CG1 4.46Å; I343-V380 HydrophobicContact CG2-CG2 4.31Å
344	E	98.1	Very high	96.8	Very high	128 Å²	128	59.4 Å²	59.4	60%	0.598	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	134.9	-179.9	-53	92.9	149.7	0	0	111.9	D342 F346	D342-E344 PolarHBondContact O-N 3.44Å; E344-F346 HydrophobicContact CB-CE2 4.06Å
345	M	98.3	Very high	97.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.2	-172.1	-176.7	-75.7	-63.4	0	0	111.3	S347 F356 I357 G358 V360 V380 L393 I414 A416	M345-S347 VanDerWaalsContact SD-CB 3.58Å; M345-F356 HydrophobicContact CE-CD2 4.03Å; M345-F356 HydrophobicContact CE-CE2 3.96Å; M345-F356 HydrophobicContact SD-CE2 4.42Å; M345-I357 WeakPolarHBondContact O-CA 3.43Å; M345-G358 PolarHBondContact N-O 3.14Å; M345-G358 PolarHBondContact O-N 2.65Å; M345-V360 HydrophobicContact CB-CG2 3.78Å; M345-V360 HydrophobicContact CG-CG2 3.93Å; M345-V380 HydrophobicContact CB-CG1 4.07Å; M345-V380 HydrophobicContact CG-CG1 3.79Å; M345-L393 HydrophobicContact CE-CD2 4.1Å; M345-L393 HydrophobicContact CG-CD2 4.45Å; M345-L393 HydrophobicContact SD-CD2 3.78Å; M345-I414 HydrophobicContact CE-CG2 3.74Å; M345-A416 HydrophobicContact CE-CB 4.01Å
346	F	98.6	Very high	97.6	Very high	93 Å²	93	54.3 Å²	54.3	41%	0.408	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	108.5	-176.9	-58.8	-97.7	0	0	0	109.4	E344 I357 R385	E344-F346 HydrophobicContact CB-CE2 4.06Å; F346-I357 HydrophobicContact CD1-CB 4.42Å; F346-I357 HydrophobicContact CD1-CD1 4.05Å; F346-I357 HydrophobicContact CD1-CG1 4.01Å; F346-I357 HydrophobicContact CD1-CG2 3.65Å; F346-I357 HydrophobicContact CE1-CD1 4.37Å; F346-I357 HydrophobicContact CE1-CG2 3.68Å; F346-I357 HydrophobicContact CG-CG2 4.4Å; F346-I357 HydrophobicContact CZ-CG2 4.45Å; F346-R385 PolarHBondContact O-NH1 3.26Å
347	S	98.7	Very high	97.8	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	171.1	-175.6	-173.7	0	0	0	0	111.9	M345 P355 F356 S384 Q388	M345-S347 VanDerWaalsContact SD-CB 3.58Å; S347-P355 CarbonylContact O-C 3.49Å; S347-P355 VanDerWaalsContact O-CA 3.26Å; S347-P355 WeakPolarHBondContact O-CA 3.26Å; S347-F356 VanDerWaalsContact CB-CZ 3.45Å; S347-F356 PolarHBondContact N-O 3.4Å; S347-F356 PolarHBondContact O-N 3.41Å; S347-F356 VanDerWaalsContact OG-CE1 3.31Å; S347-F356 WeakPolarHBondContact OG-CE1 3.47Å; S347-F356 WeakPolarHBondContact OG-CZ 3.23Å; S347-S384 VanDerWaalsContact CA-O 3.3Å; S347-S384 WeakPolarHBondContact CA-O 3.33Å; S347-S384 WeakPolarHBondContact CB-O 3.1Å; S347-S384 PolarHBondContact OG-O 3.46Å; S347-S384 VanDerWaalsContact OG-O 3.11Å; S347-Q388 WeakPolarHBondContact OG-CB 3.44Å
348	M	98.6	Very high	97.8	Very high	14 Å²	14	50 Å²	50	7%	0.069	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.1	-177.3	-65.3	-67	-73.6	0	0	110.6	I310 F313 E350 L353 P355 L387 Q388	I310-M348 HydrophobicContact CD1-CE 4.22Å; F313-M348 HydrophobicContact CB-CG 4Å; F313-M348 HydrophobicContact CD2-CE 4.34Å; F313-M348 HydrophobicContact CD2-SD 4.12Å; F313-M348 HydrophobicContact CG-SD 4.48Å; M348-E350 PolarHBondContact O-N 3.16Å; M348-L353 WeakPolarHBondContact CE-O 3.02Å; M348-P355 HydrophobicContact SD-CB 4.32Å; M348-P355 HydrophobicContact SD-CG 3.88Å; M348-L387 HydrophobicContact CB-CD2 3.83Å; M348-Q388 PolarHBondContact O-N 3.07Å
349	C	98.5	Very high	97.9	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	116.2	176.8	-179.8	0	0	0	0	109.9	H351 H352 L353 I354 F356	C349-H351 VanDerWaalsContact C-N 3.26Å; C349-H351 PolarHBondContact O-N 3.37Å; C349-H352 PolarHBondContact O-N 3.18Å; C349-H352 VanDerWaalsContact O-N 3.13Å; C349-L353 PolarHBondContact O-N 3.48Å; C349-I354 WeakPolarHBondContact CB-O 3.43Å; C349-I354 PolarHBondContact N-O 2.94Å; C349-F356 HydrophobicContact CB-CD1 4.14Å
350	E	98.2	Very high	98	Very high	64 Å²	64	49.3 Å²	49.3	30%	0.299	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-31.4	-174	66.6	-168.4	-152.2	0	0	113.7	M348 H352 L387 Q388 V389 R392	M348-E350 PolarHBondContact O-N 3.16Å; E350-H352 PolarHBondContact O-N 3.32Å; E350-L387 HydrophobicContact CB-CB 3.8Å; E350-Q388 PolarHBondContact N-O 2.82Å; E350-Q388 VanDerWaalsContact N-O 3.08Å; E350-V389 HydrophobicContact CG-CG2 4.06Å; E350-V389 WeakPolarHBondContact OE1-CG2 3.37Å; E350-R392 IonicContact OE1-CZ 3.5Å; E350-R392 IonicContact OE1-NH1 2.67Å; E350-R392 IonicContact OE1-NH2 3.42Å; E350-R392 PolarHBondContact OE1-NH2 2.94Å; E350-R392 IonicContact OE2-CZ 3.84Å; E350-R392 IonicContact OE2-NH1 3.15Å; E350-R392 PolarHBondContact OE2-NH1 3.47Å; E350-R392 IonicContact OE2-NH2 3.59Å; E350-R392 PolarHBondContact OE2-NH2 2.94Å
351	H	97.7	Very high	98	Very high	133 Å²	133	48 Å²	48	62%	0.616	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.7	177.3	-52.4	119	0	0	0	114.5	C349	C349-H351 VanDerWaalsContact C-N 3.26Å; C349-H351 PolarHBondContact O-N 3.37Å
352	H	97.7	Very high	98.1	Very high	78 Å²	78	43.6 Å²	43.6	36%	0.361	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.8	-11.9	-166.4	-65	121.9	0	0	0	115.2	C349 E350 I354 C420 R424	C349-H352 PolarHBondContact O-N 3.18Å; C349-H352 VanDerWaalsContact O-N 3.13Å; E350-H352 PolarHBondContact O-N 3.32Å; H352-I354 HydrophobicContact CB-CB 4.14Å; H352-I354 HydrophobicContact CB-CD1 4.22Å; H352-I354 HydrophobicContact CB-CG1 4.3Å; H352-I354 PolarHBondContact O-N 3.22Å; H352-C420 HydrophobicContact CB-CB 4.24Å; H352-R424 PolarHBondContact CD2-NH1 3.02Å; H352-R424 PolarHBondContact CE1-NH1 2.81Å; H352-R424 PolarHBondContact NE2-NH1 3.39Å
353	L	98	Very high	98.2	Very high	101 Å²	101	40.8 Å²	40.8	53%	0.529	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	35.8	-170.3	-51.2	-177.3	0	0	0	113	M348 C349 L387	M348-L353 WeakPolarHBondContact CE-O 3.02Å; C349-L353 PolarHBondContact O-N 3.48Å; L353-L387 HydrophobicContact CD2-CD1 3.73Å; L353-L387 HydrophobicContact CD2-CD2 3.63Å; L353-L387 HydrophobicContact CD2-CG 4.33Å
354	I	98.2	Very high	98.2	Very high	32 Å²	32	40.2 Å²	40.2	16%	0.164	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	141	-179.7	-76.5	172.8	0	0	0	108.8	C349 H352 M419 C420 M423	C349-I354 WeakPolarHBondContact CB-O 3.43Å; C349-I354 PolarHBondContact N-O 2.94Å; H352-I354 HydrophobicContact CB-CB 4.14Å; H352-I354 HydrophobicContact CB-CD1 4.22Å; H352-I354 HydrophobicContact CB-CG1 4.3Å; H352-I354 PolarHBondContact O-N 3.22Å; I354-M419 HydrophobicContact CG2-CB 3.57Å; I354-C420 HydrophobicContact CB-CB 4.32Å; I354-C420 HydrophobicContact CD1-CB 4.48Å; I354-C420 HydrophobicContact CG2-CB 4.01Å; I354-M423 HydrophobicContact CD1-SD 4.38Å; I354-M423 HydrophobicContact CG2-SD 4.22Å
355	P	98.6	Very high	98.1	Very high	49 Å²	49	34.3 Å²	34.3	32%	0.318	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	147.1	-178.6	-25.2	34.2	0	0	0	114.7	S347 M348 I357 M419	S347-P355 CarbonylContact O-C 3.49Å; S347-P355 VanDerWaalsContact O-CA 3.26Å; S347-P355 WeakPolarHBondContact O-CA 3.26Å; M348-P355 HydrophobicContact SD-CB 4.32Å; M348-P355 HydrophobicContact SD-CG 3.88Å; P355-I357 HydrophobicContact CB-CD1 4.34Å; P355-I357 HydrophobicContact CB-CG1 4.16Å; P355-M419 VanDerWaalsContact O-CB 3.27Å; P355-M419 WeakPolarHBondContact O-CB 3.43Å; P355-M419 WeakPolarHBondContact O-CG 3.37Å; P355-M419 PolarHBondContact O-N 3.45Å; P355-M419 VanDerWaalsContact O-N 3.12Å
356	F	98.7	Very high	98	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.9	152.6	65.8	-85.7	0	0	0	108.9	M345 S347 C349 Q388 Q390 L393 A416 T417 H418	M345-F356 HydrophobicContact CE-CD2 4.03Å; M345-F356 HydrophobicContact CE-CE2 3.96Å; M345-F356 HydrophobicContact SD-CE2 4.42Å; S347-F356 VanDerWaalsContact CB-CZ 3.45Å; S347-F356 PolarHBondContact N-O 3.4Å; S347-F356 PolarHBondContact O-N 3.41Å; S347-F356 VanDerWaalsContact OG-CE1 3.31Å; S347-F356 WeakPolarHBondContact OG-CE1 3.47Å; S347-F356 WeakPolarHBondContact OG-CZ 3.23Å; C349-F356 HydrophobicContact CB-CD1 4.14Å; F356-Q388 HydrophobicContact CE1-CB 4Å; F356-Q388 HydrophobicContact CZ-CB 3.87Å; F356-Q390 HydrophobicContact CE2-CB 4.01Å; F356-Q390 HydrophobicContact CE2-CG 4.09Å; F356-Q390 HydrophobicContact CZ-CB 4.38Å; F356-L393 HydrophobicContact CE2-CD2 3.94Å; F356-L393 HydrophobicContact CZ-CD2 4.07Å; F356-A416 HydrophobicContact CD2-CB 4.03Å; F356-T417 WeakPolarHBondContact CA-O 3.4Å; F356-H418 HydrophobicContact CB-CB 4.42Å; F356-H418 WeakPolarHBondContact CB-ND1 3.33Å; F356-H418 AromaticContact CD1-CE1 3.98Å; F356-H418 AromaticContact CD2-CE1 3.75Å; F356-H418 AromaticContact CG-CE1 3.54Å; F356-H418 AromaticContact CG-ND1 3.73Å
357	I	98.4	Very high	97.8	Very high	66 Å²	66	34 Å²	34	34%	0.338	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.7	-167.3	-54	177.2	0	0	0	107.7	M345 F346 P355 A416 T417	M345-I357 WeakPolarHBondContact O-CA 3.43Å; F346-I357 HydrophobicContact CD1-CB 4.42Å; F346-I357 HydrophobicContact CD1-CD1 4.05Å; F346-I357 HydrophobicContact CD1-CG1 4.01Å; F346-I357 HydrophobicContact CD1-CG2 3.65Å; F346-I357 HydrophobicContact CE1-CD1 4.37Å; F346-I357 HydrophobicContact CE1-CG2 3.68Å; F346-I357 HydrophobicContact CG-CG2 4.4Å; F346-I357 HydrophobicContact CZ-CG2 4.45Å; P355-I357 HydrophobicContact CB-CD1 4.34Å; P355-I357 HydrophobicContact CB-CG1 4.16Å; I357-A416 WeakPolarHBondContact O-CA 3.34Å; I357-T417 PolarHBondContact N-O 2.91Å; I357-T417 VanDerWaalsContact N-O 3.11Å; I357-T417 PolarHBondContact O-N 3.36Å
358	G	97.9	Very high	97.3	Very high	6 Å²	6	40.4 Å²	40.4	6%	0.062	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	-162.3	-170.6	0	0	0	0	0	113	M345 E415	M345-G358 PolarHBondContact N-O 3.14Å; M345-G358 PolarHBondContact O-N 2.65Å; G358-E415 CarbonylContact C-O 3.59Å; G358-E415 WeakPolarHBondContact CA-O 3.18Å
359	H	98.1	Very high	96.9	Very high	58 Å²	58	43.4 Å²	43.4	27%	0.269	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.8	178.8	-55.6	77.7	0	0	0	110	I343 I414 E415 R458	I343-H359 CarbonylContact O-C 3.47Å; I343-H359 VanDerWaalsContact O-CA 3.25Å; I343-H359 WeakPolarHBondContact O-CA 3.19Å; H359-I414 WeakPolarHBondContact O-CA 3.28Å; H359-E415 PolarHBondContact N-O 3.02Å; H359-E415 PolarHBondContact O-N 3.3Å; H359-R458 PolarHBondContact CD2-NH2 3.44Å; H359-R458 PolarHBondContact CE1-NH1 3.06Å; H359-R458 VanDerWaalsContact CG-CZ 3.45Å; H359-R458 VanDerWaalsContact CG-NH2 3.31Å; H359-R458 PolarHBondContact ND1-NH1 3.19Å; H359-R458 PolarHBondContact NE2-NH2 3.26Å
360	V	98.4	Very high	96.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.8	176.8	-172.4	0	0	0	0	109.3	D342 I343 M345 I362 V380 V412 I413 I414	D342-V360 PolarHBondContact N-O 3.37Å; I343-V360 HydrophobicContact CB-CB 4.37Å; I343-V360 WeakPolarHBondContact CB-O 3.39Å; I343-V360 PolarHBondContact N-O 3.28Å; I343-V360 VanDerWaalsContact N-O 3.1Å; I343-V360 PolarHBondContact O-N 3.07Å; M345-V360 HydrophobicContact CB-CG2 3.78Å; M345-V360 HydrophobicContact CG-CG2 3.93Å; V360-I362 HydrophobicContact CG1-CD1 4.18Å; V360-I362 HydrophobicContact CG1-CG1 3.76Å; V360-V380 HydrophobicContact CB-CG1 4.45Å; V360-V380 HydrophobicContact CB-CG2 4.16Å; V360-V380 HydrophobicContact CG1-CG2 4.08Å; V360-V380 HydrophobicContact CG2-CG1 3.78Å; V360-V380 HydrophobicContact CG2-CG2 4.27Å; V360-V412 HydrophobicContact CG1-CG1 3.83Å; V360-I413 CarbonylContact C-O 3.53Å; V360-I413 WeakPolarHBondContact CA-O 3.46Å; V360-I414 HydrophobicContact CB-CG1 4.49Å; V360-I414 HydrophobicContact CG1-CG1 4.12Å; V360-I414 HydrophobicContact CG2-CD1 4.02Å; V360-I414 HydrophobicContact CG2-CG1 3.93Å; V360-I414 HydrophobicContact CG2-CG2 4.39Å
361	S	98.2	Very high	96.3	Very high	7 Å²	7	42 Å²	42	5%	0.049	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.3	166.6	-55.1	0	0	0	0	110.1	K341 V412 I413 A456	K341-S361 VanDerWaalsContact CB-OG 3.31Å; K341-S361 WeakPolarHBondContact CB-OG 3.06Å; S361-V412 WeakPolarHBondContact O-CA 3.49Å; S361-I413 PolarHBondContact N-O 3.25Å; S361-I413 PolarHBondContact O-N 3.15Å; S361-A456 WeakPolarHBondContact CB-O 3.17Å; S361-A456 PolarHBondContact OG-O 2.86Å
362	I	98	Very high	96.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.5	-177.3	-57	176.2	0	0	0	108.4	I339 V340 I343 V360 L376 V380 I397 L401 G411	I339-I362 CarbonylContact C-O 3.24Å; I339-I362 WeakPolarHBondContact CA-O 3.28Å; V340-I362 PolarHBondContact N-O 3.18Å; V340-I362 PolarHBondContact O-N 3.42Å; I343-I362 HydrophobicContact CD1-CD1 3.87Å; I343-I362 HydrophobicContact CD1-CG1 4.28Å; V360-I362 HydrophobicContact CG1-CD1 4.18Å; V360-I362 HydrophobicContact CG1-CG1 3.76Å; I362-L376 HydrophobicContact CD1-CB 4.24Å; I362-L376 HydrophobicContact CG2-CD2 4.27Å; I362-V380 HydrophobicContact CD1-CG2 3.76Å; I362-I397 HydrophobicContact CD1-CG2 4Å; I362-L401 HydrophobicContact CD1-CD1 4.3Å; I362-L401 HydrophobicContact CG2-CD1 3.47Å; I362-L401 VanDerWaalsContact CG2-CD1 3.47Å; I362-G411 WeakPolarHBondContact CA-O 3.46Å
363	G	97.4	Very high	95.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.2	168.6	0	0	0	0	0	110.6	V338 V410 G411 F452	V338-G363 CarbonylContact O-C 2.97Å; V338-G363 VanDerWaalsContact O-CA 3.28Å; V338-G363 WeakPolarHBondContact O-CA 3.48Å; G363-V410 WeakPolarHBondContact O-CA 3.36Å; G363-G411 PolarHBondContact N-O 2.95Å; G363-G411 PolarHBondContact O-N 2.79Å; G363-F452 VanDerWaalsContact CA-CE2 3.42Å; G363-F452 VanDerWaalsContact N-CE2 3.26Å
364	Y	97.6	Very high	95.7	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	152.8	167.7	72	-78.3	0	0	0	111.1	V338 P366 L371 L376 I405 P407 G409	V338-Y364 HydrophobicContact CB-CD1 4.13Å; V338-Y364 HydrophobicContact CB-CE1 3.75Å; V338-Y364 HydrophobicContact CG1-CD1 4.39Å; V338-Y364 HydrophobicContact CG1-CE1 3.66Å; V338-Y364 PolarHBondContact N-O 2.7Å; V338-Y364 PolarHBondContact O-N 2.67Å; Y364-P366 HydrophobicContact CD2-CB 4.41Å; Y364-P366 HydrophobicContact CD2-CG 4.09Å; Y364-P366 HydrophobicContact CE2-CB 4.03Å; Y364-P366 HydrophobicContact CE2-CG 3.71Å; Y364-L371 PolarHBondContact OH-N 2.89Å; Y364-L376 HydrophobicContact CE1-CD1 4.39Å; Y364-I405 HydrophobicContact CD2-CD1 3.55Å; Y364-I405 HydrophobicContact CE2-CD1 3.46Å; Y364-I405 VanDerWaalsContact CE2-CD1 3.46Å; Y364-I405 HydrophobicContact CG-CD1 4.22Å; Y364-P407 HydrophobicContact CD2-CB 4.11Å; Y364-G409 VanDerWaalsContact CA-O 3.27Å; Y364-G409 WeakPolarHBondContact CA-O 3.43Å; Y364-G409 WeakPolarHBondContact CB-O 3.42Å
365	I	96.9	Very high	95.5	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	106.5	176.2	-57.3	179.5	0	0	0	107	D335 L337 P407 K408 G409 D441 L442 L448	D335-I365 VanDerWaalsContact O-CG2 3.24Å; D335-I365 WeakPolarHBondContact O-CG2 3.3Å; L337-I365 HydrophobicContact CB-CG1 4.46Å; L337-I365 HydrophobicContact CD1-CG1 3.95Å; I365-P407 CarbonylContact O-C 3.57Å; I365-P407 WeakPolarHBondContact O-CB 3.38Å; I365-K408 HydrophobicContact CB-CB 4.25Å; I365-K408 HydrophobicContact CG2-CB 4.12Å; I365-K408 HydrophobicContact CG2-CD 3.75Å; I365-K408 HydrophobicContact CG2-CG 4.14Å; I365-K408 PolarHBondContact O-N 2.98Å; I365-G409 PolarHBondContact N-O 3.49Å; I365-D441 HydrophobicContact CD1-CB 4.05Å; I365-L442 HydrophobicContact CD1-CD2 4.21Å; I365-L442 HydrophobicContact CD1-CG 4.08Å; I365-L442 HydrophobicContact CG1-CD1 4.4Å; I365-L442 HydrophobicContact CG1-CG 4.35Å; I365-L448 HydrophobicContact CD1-CB 4.39Å; I365-L448 HydrophobicContact CD1-CD1 3.78Å; I365-L448 HydrophobicContact CD1-CD2 4.3Å; I365-L448 HydrophobicContact CD1-CG 4.39Å
366	P	96	Very high	95.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.			trans	-64.1	155.5	-172.1	-14.3	25.6	0	0	0	112.7	H334 E336 V338 Y364 I370 K408	H334-P366 WeakPolarHBondContact O-CB 3.36Å; E336-P366 WeakPolarHBondContact O-CD 3.44Å; V338-P366 HydrophobicContact CG2-CG 3.77Å; Y364-P366 HydrophobicContact CD2-CB 4.41Å; Y364-P366 HydrophobicContact CD2-CG 4.09Å; Y364-P366 HydrophobicContact CE2-CB 4.03Å; Y364-P366 HydrophobicContact CE2-CG 3.71Å; P366-I370 HydrophobicContact CB-CG2 4.06Å; P366-I370 HydrophobicContact CG-CG2 3.96Å; P366-K408 WeakPolarHBondContact O-CE 3.24Å
367	N	93.5	Very high	95.3	Very high	86 Å²	86	35.8 Å²	35.8	46%	0.46	19%	0.194	S	C	.	.	S	Bend	trans	-117.6	70.1	172.9	-172.3	7.2	0	0	0	109	K369 K406 K408	N367-K369 PolarHBondContact O-N 3.12Å; N367-K406 WeakPolarHBondContact CB-O 3.35Å; N367-K408 HydrophobicContact CB-CG 4.37Å
368	K	89	Confident	95.2	Very high	137 Å²	137	38.5 Å²	38.5	60%	0.596	20%	0.2	S	C	*	.	S	Bend	trans	62	4.1	-172.9	-46.5	176.4	-174.9	179.8	0	115.5	D331 E332	D331-K368 CarbonylContact C-O 3.6Å; D331-K368 WeakPolarHBondContact CA-O 3.12Å; E332-K368 PolarHBondContact N-O 3.35Å; E332-K368 CarbonylContact O-C 3.59Å; E332-K368 VanDerWaalsContact O-C 3.24Å; E332-K368 WeakPolarHBondContact O-CA 3.22Å; E332-K368 VanDerWaalsContact O-O 3.09Å
369	K	89.9	Confident	95.1	Very high	76 Å²	76	38.2 Å²	38.2	33%	0.33	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	117.8	-176.8	-75.8	-177.2	179.2	-67.9	0	110	I329 F330 D331 N367	I329-K369 HydrophobicContact CG2-CB 3.9Å; I329-K369 HydrophobicContact CG2-CD 4.06Å; I329-K369 HydrophobicContact CG2-CG 4.17Å; F330-K369 WeakPolarHBondContact O-CA 3.31Å; D331-K369 VanDerWaalsContact OD1-CE 3.24Å; D331-K369 WeakPolarHBondContact OD1-CE 3.46Å; D331-K369 VanDerWaalsContact OD1-CG 3.25Å; D331-K369 WeakPolarHBondContact OD1-CG 3.4Å; D331-K369 IonicContact OD1-NZ 2.89Å; D331-K369 PolarHBondContact OD1-NZ 3.22Å; D331-K369 IonicContact OD2-NZ 2.7Å; D331-K369 PolarHBondContact OD2-NZ 2.97Å; N367-K369 PolarHBondContact O-N 3.12Å
370	I	92.3	Very high	95.1	Very high	44 Å²	44	35.6 Å²	35.6	23%	0.226	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	148.8	174.3	67	167.4	0	0	0	110.8	I329 F330 E332 P366	I329-I370 WeakPolarHBondContact CA-O 3.35Å; F330-I370 HydrophobicContact CB-CD1 4.49Å; F330-I370 HydrophobicContact CB-CG1 3.91Å; F330-I370 HydrophobicContact CD2-CG1 4.38Å; F330-I370 PolarHBondContact N-O 3.04Å; F330-I370 PolarHBondContact O-N 3.24Å; E332-I370 HydrophobicContact CB-CD1 4.14Å; E332-I370 HydrophobicContact CB-CG1 4.05Å; E332-I370 HydrophobicContact CB-CG2 4.23Å; E332-I370 HydrophobicContact CG-CD1 3.76Å; E332-I370 HydrophobicContact CG-CG1 3.93Å; P366-I370 HydrophobicContact CB-CG2 4.06Å; P366-I370 HydrophobicContact CG-CG2 3.96Å
371	L	92.4	Very high	95.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.6	172.1	-171.9	62	0	0	0	110.1	L325 I329 Y364 L373 K375 L376 I379 L401 I405	L325-L371 HydrophobicContact CD2-CD1 3.63Å; L325-L371 HydrophobicContact CD2-CD2 4.41Å; I329-L371 HydrophobicContact CG1-CD1 3.98Å; Y364-L371 PolarHBondContact OH-N 2.89Å; L371-L373 PolarHBondContact O-N 2.84Å; L371-K375 HydrophobicContact CD1-CB 3.98Å; L371-K375 HydrophobicContact CD1-CG 4.06Å; L371-K375 HydrophobicContact CD2-CB 3.92Å; L371-K375 HydrophobicContact CG-CB 3.85Å; L371-K375 HydrophobicContact CG-CG 4.3Å; L371-L376 HydrophobicContact CD2-CD2 3.83Å; L371-L376 HydrophobicContact CD2-CG 4.38Å; L371-I379 HydrophobicContact CD2-CD1 4.1Å; L371-L401 HydrophobicContact CD2-CD2 4.11Å; L371-I405 HydrophobicContact CB-CD1 4.18Å; L371-I405 HydrophobicContact CB-CG2 4.09Å; L371-I405 HydrophobicContact CD1-CG2 4.19Å; L371-I405 HydrophobicContact CG-CG2 4.5Å
372	G	92.9	Very high	95	Very high	16 Å²	16	37.4 Å²	37.4	17%	0.165	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-56.1	121.5	174.7	0	0	0	0	0	111.7	A328 S374 K375	A328-G372 PolarHBondContact O-N 3.48Å; G372-S374 VanDerWaalsContact C-N 3.25Å; G372-S374 PolarHBondContact O-N 2.95Å; G372-K375 VanDerWaalsContact O-CB 3.32Å; G372-K375 WeakPolarHBondContact O-CB 3.25Å; G372-K375 VanDerWaalsContact O-CG 3.25Å; G372-K375 WeakPolarHBondContact O-CG 3.31Å; G372-K375 PolarHBondContact O-N 3.29Å
373	L	93.6	Very high	95.1	Very high	105 Å²	105	38.9 Å²	38.9	55%	0.55	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-38.9	-163.3	-53.9	179	0	0	0	114.7	V338 V340 L371 K375 L376	V338-L373 HydrophobicContact CG1-CD2 4.41Å; V340-L373 HydrophobicContact CG2-CB 4.38Å; V340-L373 HydrophobicContact CG2-CD2 3.85Å; L371-L373 PolarHBondContact O-N 2.84Å; L373-K375 PolarHBondContact O-N 3.04Å; L373-K375 VanDerWaalsContact O-N 3.08Å; L373-L376 HydrophobicContact CD2-CD1 4.48Å; L373-L376 WeakPolarHBondContact O-CB 3.35Å; L373-L376 PolarHBondContact O-N 2.81Å
374	S	94	Very high	95.1	Very high	80 Å²	80	38.9 Å²	38.9	56%	0.559	20%	0.198	S	C	*	.	H	α-helix	trans	-61.3	-16.9	178.2	71	0	0	0	0	115	G372 R378	G372-S374 VanDerWaalsContact C-N 3.25Å; G372-S374 PolarHBondContact O-N 2.95Å; S374-R378 WeakPolarHBondContact O-CG 3.09Å; S374-R378 PolarHBondContact O-N 2.93Å
375	K	94.7	Very high	95.1	Very high	21 Å²	21	39.8 Å²	39.8	9%	0.091	20%	0.202	C	C	.	.	H	α-helix	trans	-76.9	-30.4	175.6	-52.7	-58.8	-165.5	163.3	0	112.1	I324 L325 A328 L371 G372 L373 R378 I379	I324-K375 VanDerWaalsContact O-CD 3.24Å; I324-K375 WeakPolarHBondContact O-CD 3.49Å; I324-K375 WeakPolarHBondContact O-CE 3.39Å; I324-K375 PolarHBondContact O-NZ 2.9Å; L325-K375 WeakPolarHBondContact O-CE 3.32Å; L325-K375 PolarHBondContact O-NZ 3.11Å; A328-K375 HydrophobicContact CB-CD 4.44Å; A328-K375 HydrophobicContact CB-CG 4.29Å; L371-K375 HydrophobicContact CD1-CB 3.98Å; L371-K375 HydrophobicContact CD1-CG 4.06Å; L371-K375 HydrophobicContact CD2-CB 3.92Å; L371-K375 HydrophobicContact CG-CB 3.85Å; L371-K375 HydrophobicContact CG-CG 4.3Å; G372-K375 VanDerWaalsContact O-CB 3.32Å; G372-K375 WeakPolarHBondContact O-CB 3.25Å; G372-K375 VanDerWaalsContact O-CG 3.25Å; G372-K375 WeakPolarHBondContact O-CG 3.31Å; G372-K375 PolarHBondContact O-N 3.29Å; L373-K375 PolarHBondContact O-N 3.04Å; L373-K375 VanDerWaalsContact O-N 3.08Å; K375-R378 WeakPolarHBondContact O-CB 3.49Å; K375-R378 PolarHBondContact O-N 3.12Å; K375-R378 VanDerWaalsContact O-N 3.12Å; K375-I379 WeakPolarHBondContact O-CG1 3.47Å; K375-I379 PolarHBondContact O-N 3.09Å
376	L	96	Very high	95.2	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-58.9	-51.1	176.8	-61.7	170.8	0	0	0	110.3	V340 I362 Y364 L371 L373 R378 I379 V380 L401	V340-L376 HydrophobicContact CB-CD1 3.89Å; V340-L376 HydrophobicContact CG2-CD1 3.51Å; I362-L376 HydrophobicContact CD1-CB 4.24Å; I362-L376 HydrophobicContact CG2-CD2 4.27Å; Y364-L376 HydrophobicContact CE1-CD1 4.39Å; L371-L376 HydrophobicContact CD2-CD2 3.83Å; L371-L376 HydrophobicContact CD2-CG 4.38Å; L373-L376 HydrophobicContact CD2-CD1 4.48Å; L373-L376 WeakPolarHBondContact O-CB 3.35Å; L373-L376 PolarHBondContact O-N 2.81Å; L376-R378 VanDerWaalsContact C-N 3.29Å; L376-R378 PolarHBondContact O-N 3.2Å; L376-I379 PolarHBondContact O-N 3.14Å; L376-I379 VanDerWaalsContact O-N 3.14Å; L376-V380 PolarHBondContact O-N 3.24Å; L376-L401 HydrophobicContact CD2-CD1 4.49Å; L376-L401 HydrophobicContact CD2-CD2 3.43Å; L376-L401 VanDerWaalsContact CD2-CD2 3.43Å
377	A	96.7	Very high	95.3	Very high	40 Å²	40	43.2 Å²	43.2	33%	0.331	22%	0.218	S	C	.	.	H	α-helix	trans	-62.8	-31.4	174.8	0	0	0	0	0	113.4	I343 V380 E381	I343-A377 HydrophobicContact CG2-CB 3.88Å; A377-V380 PolarHBondContact O-N 3.13Å; A377-E381 PolarHBondContact O-N 3.35Å
378	R	96.1	Very high	95.6	Very high	123 Å²	123	39.3 Å²	39.3	46%	0.464	20%	0.197	S	C	.	.	H	α-helix	trans	-70.1	-37.3	173.2	-70.1	175.2	-176.7	-137.8	2	112.5	I324 S374 K375 L376 V380 E381 I382	I324-R378 HydrophobicContact CG2-CB 3.59Å; I324-R378 HydrophobicContact CG2-CG 4.43Å; S374-R378 WeakPolarHBondContact O-CG 3.09Å; S374-R378 PolarHBondContact O-N 2.93Å; K375-R378 WeakPolarHBondContact O-CB 3.49Å; K375-R378 PolarHBondContact O-N 3.12Å; K375-R378 VanDerWaalsContact O-N 3.12Å; L376-R378 VanDerWaalsContact C-N 3.29Å; L376-R378 PolarHBondContact O-N 3.2Å; R378-V380 VanDerWaalsContact C-N 3.32Å; R378-E381 WeakPolarHBondContact O-CB 3.42Å; R378-E381 PolarHBondContact O-N 3.36Å; R378-I382 WeakPolarHBondContact O-CG1 3.47Å; R378-I382 PolarHBondContact O-N 3.01Å
379	I	96.5	Very high	96	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-41.5	174.1	-69.9	168.4	0	0	0	109.8	V321 L371 K375 L376 E381 I382 Y383 I397 A400 L401	V321-I379 HydrophobicContact CG1-CD1 4.17Å; V321-I379 HydrophobicContact CG1-CG1 4.19Å; L371-I379 HydrophobicContact CD2-CD1 4.1Å; K375-I379 WeakPolarHBondContact O-CG1 3.47Å; K375-I379 PolarHBondContact O-N 3.09Å; L376-I379 PolarHBondContact O-N 3.14Å; L376-I379 VanDerWaalsContact O-N 3.14Å; I379-E381 VanDerWaalsContact C-N 3.34Å; I379-E381 PolarHBondContact O-N 2.91Å; I379-I382 PolarHBondContact O-N 2.92Å; I379-Y383 HydrophobicContact CG2-CD2 4.15Å; I379-Y383 HydrophobicContact CG2-CE2 4.09Å; I379-Y383 VanDerWaalsContact O-CD2 3.3Å; I379-Y383 WeakPolarHBondContact O-CD2 3.34Å; I379-Y383 PolarHBondContact O-N 3.49Å; I379-I397 HydrophobicContact CG2-CG2 4.3Å; I379-A400 HydrophobicContact CG2-CB 4.05Å; I379-L401 HydrophobicContact CD1-CD2 3.61Å; I379-L401 HydrophobicContact CD1-CG 4.49Å
380	V	98.1	Very high	96.4	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-56.4	-45.7	170.5	178	0	0	0	0	111.6	I343 M345 V360 I362 L376 A377 R378 I382 Y383 S384 I397	I343-V380 HydrophobicContact CD1-CG2 4.29Å; I343-V380 HydrophobicContact CG2-CB 4.43Å; I343-V380 HydrophobicContact CG2-CG1 4.46Å; I343-V380 HydrophobicContact CG2-CG2 4.31Å; M345-V380 HydrophobicContact CB-CG1 4.07Å; M345-V380 HydrophobicContact CG-CG1 3.79Å; V360-V380 HydrophobicContact CB-CG1 4.45Å; V360-V380 HydrophobicContact CB-CG2 4.16Å; V360-V380 HydrophobicContact CG1-CG2 4.08Å; V360-V380 HydrophobicContact CG2-CG1 3.78Å; V360-V380 HydrophobicContact CG2-CG2 4.27Å; I362-V380 HydrophobicContact CD1-CG2 3.76Å; L376-V380 PolarHBondContact O-N 3.24Å; A377-V380 PolarHBondContact O-N 3.13Å; R378-V380 VanDerWaalsContact C-N 3.32Å; V380-I382 PolarHBondContact O-N 3.15Å; V380-Y383 PolarHBondContact O-N 3.01Å; V380-S384 VanDerWaalsContact O-CB 3.24Å; V380-S384 WeakPolarHBondContact O-CB 3.32Å; V380-S384 PolarHBondContact O-N 2.75Å; V380-S384 PolarHBondContact O-OG 3.25Å; V380-I397 HydrophobicContact CB-CD1 4.45Å; V380-I397 HydrophobicContact CG1-CD1 4.42Å; V380-I397 HydrophobicContact CG2-CD1 4.18Å
381	E	97.5	Very high	96.7	Very high	46 Å²	46	34.2 Å²	34.2	22%	0.215	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-39.6	176	-83.8	-84.6	126.3	0	0	113.6	K315 A377 R378 I379 Y383 R385	K315-E381 VanDerWaalsContact CE-OE2 3.25Å; K315-E381 WeakPolarHBondContact CE-OE2 3.42Å; K315-E381 IonicContact NZ-OE2 2.65Å; K315-E381 PolarHBondContact NZ-OE2 2.96Å; A377-E381 PolarHBondContact O-N 3.35Å; R378-E381 WeakPolarHBondContact O-CB 3.42Å; R378-E381 PolarHBondContact O-N 3.36Å; I379-E381 VanDerWaalsContact C-N 3.34Å; I379-E381 PolarHBondContact O-N 2.91Å; E381-Y383 VanDerWaalsContact C-N 3.31Å; E381-Y383 PolarHBondContact O-N 2.96Å; E381-R385 VanDerWaalsContact CD-NE 3.31Å; E381-R385 WeakPolarHBondContact O-CB 3.31Å; E381-R385 WeakPolarHBondContact O-CG 3.23Å; E381-R385 PolarHBondContact O-N 3.28Å; E381-R385 VanDerWaalsContact O-N 3.08Å; E381-R385 IonicContact OE1-CZ 2.84Å; E381-R385 IonicContact OE1-NE 2.81Å; E381-R385 PolarHBondContact OE1-NE 2.89Å; E381-R385 IonicContact OE1-NH2 3.16Å; E381-R385 PolarHBondContact OE1-NH2 2.91Å; E381-R385 IonicContact OE2-NE 3.9Å; E381-R385 PolarHBondContact OE2-NE 3.26Å; E381-R385 IonicContact OE2-NH2 3.84Å
382	I	97	Very high	97	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.4	-44.9	178.6	-66	165.5	0	0	0	111.2	G316 E319 V321 I324 R378 I379 V380 R386	G316-I382 CarbonylContact C-O 3.6Å; G316-I382 WeakPolarHBondContact CA-O 3.35Å; E319-I382 HydrophobicContact CB-CG1 4.37Å; V321-I382 HydrophobicContact CB-CD1 4.26Å; V321-I382 HydrophobicContact CG2-CD1 3.78Å; I324-I382 HydrophobicContact CB-CD1 4.34Å; I324-I382 HydrophobicContact CD1-CD1 3.56Å; I324-I382 HydrophobicContact CD1-CG1 3.58Å; I324-I382 HydrophobicContact CG2-CD1 4.37Å; R378-I382 WeakPolarHBondContact O-CG1 3.47Å; R378-I382 PolarHBondContact O-N 3.01Å; I379-I382 PolarHBondContact O-N 2.92Å; V380-I382 PolarHBondContact O-N 3.15Å; I382-R386 PolarHBondContact O-NE 3.17Å
383	Y	98.2	Very high	97.3	Very high	31 Å²	31	37 Å²	37	12%	0.122	18%	0.183	C	C	.	.	H	α-helix	trans	-89.9	-34	-174	-65.5	-75.9	0	0	0	113.1	V321 I379 V380 E381 R386 Q388 L393 E396 I397 A400	V321-Y383 HydrophobicContact CG2-CE2 3.99Å; V321-Y383 WeakPolarHBondContact CG2-OH 3.4Å; I379-Y383 HydrophobicContact CG2-CD2 4.15Å; I379-Y383 HydrophobicContact CG2-CE2 4.09Å; I379-Y383 VanDerWaalsContact O-CD2 3.3Å; I379-Y383 WeakPolarHBondContact O-CD2 3.34Å; I379-Y383 PolarHBondContact O-N 3.49Å; V380-Y383 PolarHBondContact O-N 3.01Å; E381-Y383 VanDerWaalsContact C-N 3.31Å; E381-Y383 PolarHBondContact O-N 2.96Å; Y383-R386 VanDerWaalsContact CD1-NH1 3.32Å; Y383-R386 WeakPolarHBondContact O-CB 3.45Å; Y383-R386 WeakPolarHBondContact O-CG 3.49Å; Y383-Q388 WeakPolarHBondContact O-CG 3.48Å; Y383-Q388 PolarHBondContact O-NE2 2.84Å; Y383-L393 VanDerWaalsContact CB-CD1 3.49Å; Y383-E396 HydrophobicContact CD1-CB 3.49Å; Y383-E396 VanDerWaalsContact CD1-CB 3.49Å; Y383-E396 VanDerWaalsContact CD1-CD 3.4Å; Y383-E396 HydrophobicContact CD1-CG 3.96Å; Y383-E396 WeakPolarHBondContact CD1-OE1 3.42Å; Y383-E396 HydrophobicContact CE1-CB 3.76Å; Y383-E396 HydrophobicContact CE1-CG 4.12Å; Y383-E396 HydrophobicContact CG-CB 3.9Å; Y383-I397 HydrophobicContact CD2-CG1 4.08Å; Y383-I397 HydrophobicContact CG-CG1 4.4Å; Y383-A400 HydrophobicContact CE2-CB 3.53Å
384	S	98.4	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-72.9	-27.3	177.3	59.2	0	0	0	0	113	S347 V380 R386	S347-S384 VanDerWaalsContact CA-O 3.3Å; S347-S384 WeakPolarHBondContact CA-O 3.33Å; S347-S384 WeakPolarHBondContact CB-O 3.1Å; S347-S384 PolarHBondContact OG-O 3.46Å; S347-S384 VanDerWaalsContact OG-O 3.11Å; V380-S384 VanDerWaalsContact O-CB 3.24Å; V380-S384 WeakPolarHBondContact O-CB 3.32Å; V380-S384 PolarHBondContact O-N 2.75Å; V380-S384 PolarHBondContact O-OG 3.25Å; S384-R386 PolarHBondContact O-N 2.92Å
385	R	98.3	Very high	97.8	Very high	22 Å²	22	33 Å²	33	8%	0.083	15%	0.151	C	C	.	.	S	Bend	trans	-84.5	52.4	178.9	-57.7	-72.1	-175.8	-162.3	-5.9	111.6	F313 T314 K315 G316 F346 E381	F313-R385 CarbonylContact O-C 3.45Å; F313-R385 VanDerWaalsContact O-CA 3.28Å; F313-R385 WeakPolarHBondContact O-CA 3.46Å; T314-R385 CarbonylContact C-O 3.56Å; T314-R385 WeakPolarHBondContact CA-O 3.44Å; K315-R385 VanDerWaalsContact CE-CG 3.5Å; K315-R385 HydrophobicContact CG-CB 3.86Å; K315-R385 HydrophobicContact CG-CG 4.35Å; K315-R385 PolarHBondContact N-O 2.74Å; G316-R385 VanDerWaalsContact CA-O 3.28Å; G316-R385 WeakPolarHBondContact CA-O 3.38Å; G316-R385 PolarHBondContact N-O 3Å; F346-R385 PolarHBondContact O-NH1 3.26Å; E381-R385 VanDerWaalsContact CD-NE 3.31Å; E381-R385 WeakPolarHBondContact O-CB 3.31Å; E381-R385 WeakPolarHBondContact O-CG 3.23Å; E381-R385 PolarHBondContact O-N 3.28Å; E381-R385 VanDerWaalsContact O-N 3.08Å; E381-R385 IonicContact OE1-CZ 2.84Å; E381-R385 IonicContact OE1-NE 2.81Å; E381-R385 PolarHBondContact OE1-NE 2.89Å; E381-R385 IonicContact OE1-NH2 3.16Å; E381-R385 PolarHBondContact OE1-NH2 2.91Å; E381-R385 IonicContact OE2-NE 3.9Å; E381-R385 PolarHBondContact OE2-NE 3.26Å; E381-R385 IonicContact OE2-NH2 3.84Å
386	R	98.5	Very high	97.9	Very high	29 Å²	29	33.1 Å²	33.1	11%	0.109	15%	0.152	C	C	.	.	S	Bend	trans	-142.8	168.8	-177.9	-62.7	-179.1	-178.1	-166	-7.7	108.7	F313 G316 Y317 I382 Y383 S384 Q388 E396	F313-R386 PolarHBondContact O-N 2.99Å; G316-R386 PolarHBondContact O-NE 3.18Å; G316-R386 PolarHBondContact O-NH2 3.13Å; Y317-R386 HydrophobicContact CD1-CB 4.39Å; Y317-R386 HydrophobicContact CD1-CG 3.8Å; Y317-R386 HydrophobicContact CE1-CB 3.71Å; Y317-R386 HydrophobicContact CE1-CG 3.6Å; Y317-R386 HydrophobicContact CE2-CB 4.23Å; Y317-R386 HydrophobicContact CE2-CG 4.44Å; Y317-R386 HydrophobicContact CG-CG 4.3Å; I382-R386 PolarHBondContact O-NE 3.17Å; Y383-R386 VanDerWaalsContact CD1-NH1 3.32Å; Y383-R386 WeakPolarHBondContact O-CB 3.45Å; Y383-R386 WeakPolarHBondContact O-CG 3.49Å; S384-R386 PolarHBondContact O-N 2.92Å; R386-Q388 HydrophobicContact CB-CG 3.99Å; R386-E396 IonicContact NH1-OE1 2.73Å; R386-E396 PolarHBondContact NH1-OE1 3.23Å; R386-E396 VanDerWaalsContact NH1-OE1 3.15Å
387	L	98.5	Very high	98	Very high	48 Å²	48	33 Å²	33	25%	0.251	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	131.3	157.1	-53.1	-175.2	0	0	0	107.9	T314 Y317 M348 E350 L353	T314-L387 HydrophobicContact CG2-CD2 4.21Å; T314-L387 HydrophobicContact CG2-CG 4.4Å; Y317-L387 WeakPolarHBondContact OH-CB 3.44Å; Y317-L387 PolarHBondContact OH-N 3.13Å; Y317-L387 PolarHBondContact OH-O 3.5Å; M348-L387 HydrophobicContact CB-CD2 3.83Å; E350-L387 HydrophobicContact CB-CB 3.8Å; L353-L387 HydrophobicContact CD2-CD1 3.73Å; L353-L387 HydrophobicContact CD2-CD2 3.63Å; L353-L387 HydrophobicContact CD2-CG 4.33Å
388	Q	98.6	Very high	98.1	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.019	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	162.7	-166	-78.9	-67.7	11.1	0	0	115.7	S347 M348 E350 F356 Y383 R386 L393 E396	S347-Q388 WeakPolarHBondContact OG-CB 3.44Å; M348-Q388 PolarHBondContact O-N 3.07Å; E350-Q388 PolarHBondContact N-O 2.82Å; E350-Q388 VanDerWaalsContact N-O 3.08Å; F356-Q388 HydrophobicContact CE1-CB 4Å; F356-Q388 HydrophobicContact CZ-CB 3.87Å; Y383-Q388 WeakPolarHBondContact O-CG 3.48Å; Y383-Q388 PolarHBondContact O-NE2 2.84Å; R386-Q388 HydrophobicContact CB-CG 3.99Å; Q388-L393 HydrophobicContact CG-CB 4.38Å; Q388-E396 PolarHBondContact NE2-OE2 2.88Å
389	V	98.5	Very high	98.2	Very high	30 Å²	30	27.4 Å²	27.4	18%	0.182	12%	0.124	C	C	.	.			trans	-114	140.2	157.3	170.3	0	0	0	0	107.3	E350 E391 R392 L393	E350-V389 HydrophobicContact CG-CG2 4.06Å; E350-V389 WeakPolarHBondContact OE1-CG2 3.37Å; V389-E391 VanDerWaalsContact C-N 3.34Å; V389-E391 HydrophobicContact CG1-CB 4.28Å; V389-E391 WeakPolarHBondContact CG1-OE2 3.25Å; V389-E391 PolarHBondContact O-N 3.35Å; V389-R392 HydrophobicContact CB-CB 4.32Å; V389-R392 WeakPolarHBondContact O-CB 3.14Å; V389-R392 PolarHBondContact O-N 3.41Å; V389-R392 VanDerWaalsContact O-N 3.16Å; V389-L393 PolarHBondContact O-N 2.65Å
390	Q	98.6	Very high	98.2	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-66.9	-36.8	-168.8	-171.3	-175.8	-39.6	0	0	112.3	F356 R392 L393 T394 I414 H418 T433 T435	F356-Q390 HydrophobicContact CE2-CB 4.01Å; F356-Q390 HydrophobicContact CE2-CG 4.09Å; F356-Q390 HydrophobicContact CZ-CB 4.38Å; Q390-R392 VanDerWaalsContact C-N 3.32Å; Q390-R392 PolarHBondContact O-N 2.84Å; Q390-L393 PolarHBondContact O-N 3.49Å; Q390-T394 WeakPolarHBondContact O-CB 3.26Å; Q390-T394 PolarHBondContact O-N 2.94Å; Q390-T394 PolarHBondContact O-OG1 3.17Å; Q390-I414 HydrophobicContact CG-CB 4.42Å; Q390-I414 HydrophobicContact CG-CG2 4.09Å; Q390-I414 PolarHBondContact NE2-O 2.93Å; Q390-I414 VanDerWaalsContact NE2-O 3.08Å; Q390-H418 PolarHBondContact OE1-NE2 3.16Å; Q390-T433 PolarHBondContact NE2-O 3.21Å; Q390-T435 HydrophobicContact CB-CG2 4.33Å; Q390-T435 HydrophobicContact CG-CG2 4.01Å; Q390-T435 WeakPolarHBondContact CG-OG1 3.31Å; Q390-T435 PolarHBondContact NE2-OG1 3.05Å
391	E	98.6	Very high	98	Very high	118 Å²	118	27.5 Å²	27.5	55%	0.551	13%	0.125	S	C	*	.	H	α-helix	trans	-61.3	-40.5	175.1	-57.3	92	121.4	0	0	111	V389 K395 T435	V389-E391 VanDerWaalsContact C-N 3.34Å; V389-E391 HydrophobicContact CG1-CB 4.28Å; V389-E391 WeakPolarHBondContact CG1-OE2 3.25Å; V389-E391 PolarHBondContact O-N 3.35Å; E391-K395 WeakPolarHBondContact O-CB 3.43Å; E391-K395 PolarHBondContact O-N 3.44Å; E391-T435 HydrophobicContact CG-CG2 3.95Å
392	R	98.6	Very high	97.9	Very high	77 Å²	77	28.2 Å²	28.2	29%	0.291	13%	0.13	S	C	.	.	H	α-helix	trans	-68.4	-49.4	175.2	-164.6	-168.1	-54.6	131.1	0.8	111	E350 V389 Q390 T394 K395 E396	E350-R392 IonicContact OE1-CZ 3.5Å; E350-R392 IonicContact OE1-NH1 2.67Å; E350-R392 IonicContact OE1-NH2 3.42Å; E350-R392 PolarHBondContact OE1-NH2 2.94Å; E350-R392 IonicContact OE2-CZ 3.84Å; E350-R392 IonicContact OE2-NH1 3.15Å; E350-R392 PolarHBondContact OE2-NH1 3.47Å; E350-R392 IonicContact OE2-NH2 3.59Å; E350-R392 PolarHBondContact OE2-NH2 2.94Å; V389-R392 HydrophobicContact CB-CB 4.32Å; V389-R392 WeakPolarHBondContact O-CB 3.14Å; V389-R392 PolarHBondContact O-N 3.41Å; V389-R392 VanDerWaalsContact O-N 3.16Å; Q390-R392 VanDerWaalsContact C-N 3.32Å; Q390-R392 PolarHBondContact O-N 2.84Å; R392-T394 VanDerWaalsContact C-N 3.31Å; R392-T394 PolarHBondContact O-N 3.27Å; R392-K395 PolarHBondContact O-N 3.18Å; R392-K395 VanDerWaalsContact O-N 3.14Å; R392-E396 HydrophobicContact CG-CG 4.34Å; R392-E396 WeakPolarHBondContact O-CB 3.44Å; R392-E396 WeakPolarHBondContact O-CG 3.27Å; R392-E396 PolarHBondContact O-N 2.9Å
393	L	98.6	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-54.2	-45.8	177.3	173.5	59.8	0	0	0	112.2	M345 F356 Y383 Q388 V389 Q390 K395 E396 I397 I414	M345-L393 HydrophobicContact CE-CD2 4.1Å; M345-L393 HydrophobicContact CG-CD2 4.45Å; M345-L393 HydrophobicContact SD-CD2 3.78Å; F356-L393 HydrophobicContact CE2-CD2 3.94Å; F356-L393 HydrophobicContact CZ-CD2 4.07Å; Y383-L393 VanDerWaalsContact CB-CD1 3.49Å; Q388-L393 HydrophobicContact CG-CB 4.38Å; V389-L393 PolarHBondContact O-N 2.65Å; Q390-L393 PolarHBondContact O-N 3.49Å; L393-K395 PolarHBondContact O-N 3.21Å; L393-E396 PolarHBondContact O-N 3.22Å; L393-I397 HydrophobicContact CD1-CD1 3.7Å; L393-I397 HydrophobicContact CD1-CG1 4.29Å; L393-I397 HydrophobicContact CG-CD1 4.07Å; L393-I397 WeakPolarHBondContact O-CD1 3.24Å; L393-I397 WeakPolarHBondContact O-CG1 3.15Å; L393-I397 PolarHBondContact O-N 3.1Å; L393-I397 VanDerWaalsContact O-N 3.13Å; L393-I414 HydrophobicContact CB-CD1 4.45Å; L393-I414 HydrophobicContact CD2-CD1 3.98Å; L393-I414 HydrophobicContact CG-CD1 3.74Å
394	T	98.6	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-46.2	177.9	-51.5	0	0	0	0	111.3	Q390 R392 A398 V412 I414 T435	Q390-T394 WeakPolarHBondContact O-CB 3.26Å; Q390-T394 PolarHBondContact O-N 2.94Å; Q390-T394 PolarHBondContact O-OG1 3.17Å; R392-T394 VanDerWaalsContact C-N 3.31Å; R392-T394 PolarHBondContact O-N 3.27Å; T394-A398 PolarHBondContact O-N 3.42Å; T394-V412 HydrophobicContact CG2-CB 4.22Å; T394-V412 HydrophobicContact CG2-CG1 4.01Å; T394-I414 HydrophobicContact CG2-CG1 4.2Å; T394-I414 WeakPolarHBondContact OG1-CD1 3.24Å; T394-I414 WeakPolarHBondContact OG1-CG1 3.36Å; T394-T435 PolarHBondContact OG1-OG1 2.88Å
395	K	98.6	Very high	97	Very high	99 Å²	99	34.5 Å²	34.5	43%	0.43	16%	0.163	S	C	.	.	H	α-helix	trans	-69.3	-41.7	-179.8	-178.1	177.6	176.6	-177.4	0	112.7	E391 R392 L393 A398 I399	E391-K395 WeakPolarHBondContact O-CB 3.43Å; E391-K395 PolarHBondContact O-N 3.44Å; R392-K395 PolarHBondContact O-N 3.18Å; R392-K395 VanDerWaalsContact O-N 3.14Å; L393-K395 PolarHBondContact O-N 3.21Å; K395-A398 PolarHBondContact O-N 3.45Å; K395-I399 HydrophobicContact CD-CD1 4.41Å; K395-I399 HydrophobicContact CG-CD1 3.77Å; K395-I399 HydrophobicContact CG-CG1 4.42Å; K395-I399 WeakPolarHBondContact O-CG1 3.29Å; K395-I399 PolarHBondContact O-N 3.46Å
396	E	98.1	Very high	96.8	Very high	24 Å²	24	40.9 Å²	40.9	11%	0.112	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-44.8	177.2	-79.3	-176.1	120.6	0	0	111.7	Y383 R386 Q388 R392 L393 A398 I399 A400	Y383-E396 HydrophobicContact CD1-CB 3.49Å; Y383-E396 VanDerWaalsContact CD1-CB 3.49Å; Y383-E396 VanDerWaalsContact CD1-CD 3.4Å; Y383-E396 HydrophobicContact CD1-CG 3.96Å; Y383-E396 WeakPolarHBondContact CD1-OE1 3.42Å; Y383-E396 HydrophobicContact CE1-CB 3.76Å; Y383-E396 HydrophobicContact CE1-CG 4.12Å; Y383-E396 HydrophobicContact CG-CB 3.9Å; R386-E396 IonicContact NH1-OE1 2.73Å; R386-E396 PolarHBondContact NH1-OE1 3.23Å; R386-E396 VanDerWaalsContact NH1-OE1 3.15Å; Q388-E396 PolarHBondContact NE2-OE2 2.88Å; R392-E396 HydrophobicContact CG-CG 4.34Å; R392-E396 WeakPolarHBondContact O-CB 3.44Å; R392-E396 WeakPolarHBondContact O-CG 3.27Å; R392-E396 PolarHBondContact O-N 2.9Å; L393-E396 PolarHBondContact O-N 3.22Å; E396-A398 PolarHBondContact O-N 3.32Å; E396-I399 PolarHBondContact O-N 3.32Å; E396-A400 VanDerWaalsContact O-CB 3.29Å; E396-A400 WeakPolarHBondContact O-CB 3.47Å; E396-A400 PolarHBondContact O-N 3.44Å
397	I	98.1	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-45	176.8	-67.6	161.7	0	0	0	110.7	I362 I379 V380 Y383 L393 A400 L401 V412 I414	I362-I397 HydrophobicContact CD1-CG2 4Å; I379-I397 HydrophobicContact CG2-CG2 4.3Å; V380-I397 HydrophobicContact CB-CD1 4.45Å; V380-I397 HydrophobicContact CG1-CD1 4.42Å; V380-I397 HydrophobicContact CG2-CD1 4.18Å; Y383-I397 HydrophobicContact CD2-CG1 4.08Å; Y383-I397 HydrophobicContact CG-CG1 4.4Å; L393-I397 HydrophobicContact CD1-CD1 3.7Å; L393-I397 HydrophobicContact CD1-CG1 4.29Å; L393-I397 HydrophobicContact CG-CD1 4.07Å; L393-I397 WeakPolarHBondContact O-CD1 3.24Å; L393-I397 WeakPolarHBondContact O-CG1 3.15Å; L393-I397 PolarHBondContact O-N 3.1Å; L393-I397 VanDerWaalsContact O-N 3.13Å; I397-A400 PolarHBondContact O-N 3.04Å; I397-L401 HydrophobicContact CG2-CD1 4.08Å; I397-L401 WeakPolarHBondContact O-CD1 3.38Å; I397-L401 VanDerWaalsContact O-CG 3.27Å; I397-L401 WeakPolarHBondContact O-CG 3.47Å; I397-L401 PolarHBondContact O-N 3.25Å; I397-V412 HydrophobicContact CB-CG1 4.46Å; I397-V412 HydrophobicContact CG2-CG1 4.17Å; I397-V412 HydrophobicContact CG2-CG2 4.04Å; I397-I414 HydrophobicContact CD1-CD1 4.15Å
398	A	98.1	Very high	96.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-44	179.5	0	0	0	0	0	112.5	T394 K395 E396 N402 V410 V412 T437 L439	T394-A398 PolarHBondContact O-N 3.42Å; K395-A398 PolarHBondContact O-N 3.45Å; E396-A398 PolarHBondContact O-N 3.32Å; A398-N402 WeakPolarHBondContact O-CB 3.47Å; A398-N402 PolarHBondContact O-N 3.46Å; A398-N402 VanDerWaalsContact O-N 3.11Å; A398-V410 HydrophobicContact CB-CG1 4.38Å; A398-V412 HydrophobicContact CB-CB 4.32Å; A398-V412 HydrophobicContact CB-CG2 3.68Å; A398-T437 HydrophobicContact CB-CG2 3.58Å; A398-L439 HydrophobicContact CB-CD1 3.92Å; A398-L439 HydrophobicContact CB-CG 4.46Å; A398-L439 WeakPolarHBondContact O-CD1 3.34Å
399	I	97.7	Very high	96.6	Very high	45 Å²	45	40.7 Å²	40.7	23%	0.231	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-46.9	177.8	-70.4	172.5	0	0	0	110.7	I83 K395 E396 L401 N402 E403 L439	I83-I399 HydrophobicContact CD1-CD1 4.44Å; K395-I399 HydrophobicContact CD-CD1 4.41Å; K395-I399 HydrophobicContact CG-CD1 3.77Å; K395-I399 HydrophobicContact CG-CG1 4.42Å; K395-I399 WeakPolarHBondContact O-CG1 3.29Å; K395-I399 PolarHBondContact O-N 3.46Å; E396-I399 PolarHBondContact O-N 3.32Å; I399-L401 VanDerWaalsContact C-N 3.27Å; I399-L401 PolarHBondContact O-N 3.48Å; I399-N402 WeakPolarHBondContact O-CB 3.18Å; I399-N402 PolarHBondContact O-N 3.48Å; I399-N402 VanDerWaalsContact O-N 3.09Å; I399-E403 HydrophobicContact CG2-CG 4.21Å; I399-E403 WeakPolarHBondContact CG2-OE1 3.47Å; I399-E403 WeakPolarHBondContact O-CG 3.49Å; I399-E403 PolarHBondContact O-N 3.27Å; I399-L439 HydrophobicContact CG1-CD1 4.47Å
400	A	96	Very high	96.6	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-39.6	-179.8	0	0	0	0	0	112.7	V321 I379 Y383 E396 I397 S404	V321-A400 HydrophobicContact CG2-CB 4.18Å; I379-A400 HydrophobicContact CG2-CB 4.05Å; Y383-A400 HydrophobicContact CE2-CB 3.53Å; E396-A400 VanDerWaalsContact O-CB 3.29Å; E396-A400 WeakPolarHBondContact O-CB 3.47Å; E396-A400 PolarHBondContact O-N 3.44Å; I397-A400 PolarHBondContact O-N 3.04Å; A400-S404 VanDerWaalsContact O-CB 3.23Å; A400-S404 WeakPolarHBondContact O-CB 3.47Å; A400-S404 PolarHBondContact O-N 3.22Å; A400-S404 PolarHBondContact O-OG 3.44Å
401	L	94.9	Very high	96.5	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-67.1	-46.6	174.9	-67.3	167	0	0	0	111.8	I362 L371 L376 I379 I397 I399 E403 S404 I405 V410 V412	I362-L401 HydrophobicContact CD1-CD1 4.3Å; I362-L401 HydrophobicContact CG2-CD1 3.47Å; I362-L401 VanDerWaalsContact CG2-CD1 3.47Å; L371-L401 HydrophobicContact CD2-CD2 4.11Å; L376-L401 HydrophobicContact CD2-CD1 4.49Å; L376-L401 HydrophobicContact CD2-CD2 3.43Å; L376-L401 VanDerWaalsContact CD2-CD2 3.43Å; I379-L401 HydrophobicContact CD1-CD2 3.61Å; I379-L401 HydrophobicContact CD1-CG 4.49Å; I397-L401 HydrophobicContact CG2-CD1 4.08Å; I397-L401 WeakPolarHBondContact O-CD1 3.38Å; I397-L401 VanDerWaalsContact O-CG 3.27Å; I397-L401 WeakPolarHBondContact O-CG 3.47Å; I397-L401 PolarHBondContact O-N 3.25Å; I399-L401 VanDerWaalsContact C-N 3.27Å; I399-L401 PolarHBondContact O-N 3.48Å; L401-E403 VanDerWaalsContact C-N 3.31Å; L401-E403 PolarHBondContact O-N 3.13Å; L401-S404 PolarHBondContact O-N 2.98Å; L401-I405 PolarHBondContact O-N 2.98Å; L401-I405 VanDerWaalsContact O-N 3.13Å; L401-V410 HydrophobicContact CB-CG1 4.19Å; L401-V410 HydrophobicContact CB-CG2 4.39Å; L401-V410 HydrophobicContact CD1-CG1 4.01Å; L401-V412 HydrophobicContact CD1-CG2 4.38Å
402	N	95.5	Very high	96.5	Very high	60 Å²	60	33.6 Å²	33.6	32%	0.321	16%	0.156	S	C	.	.	H	α-helix	trans	-58.9	-42.5	178.8	-174.3	83.8	0	0	0	112	A398 I399 K406 V410 L439	A398-N402 WeakPolarHBondContact O-CB 3.47Å; A398-N402 PolarHBondContact O-N 3.46Å; A398-N402 VanDerWaalsContact O-N 3.11Å; I399-N402 WeakPolarHBondContact O-CB 3.18Å; I399-N402 PolarHBondContact O-N 3.48Å; I399-N402 VanDerWaalsContact O-N 3.09Å; N402-K406 VanDerWaalsContact O-CA 3.28Å; N402-K406 WeakPolarHBondContact O-CA 3.4Å; N402-K406 PolarHBondContact O-N 3.42Å; N402-V410 HydrophobicContact CB-CG2 4.14Å; N402-L439 HydrophobicContact CB-CD1 3.88Å
403	E	93.7	Very high	96.5	Very high	131 Å²	131	30.7 Å²	30.7	61%	0.612	15%	0.146	S	C	*	.	H	α-helix	trans	-68.6	-40.3	175.3	-69.8	174.8	173.1	0	0	112.6	I399 L401	I399-E403 HydrophobicContact CG2-CG 4.21Å; I399-E403 WeakPolarHBondContact CG2-OE1 3.47Å; I399-E403 WeakPolarHBondContact O-CG 3.49Å; I399-E403 PolarHBondContact O-N 3.27Å; L401-E403 VanDerWaalsContact C-N 3.31Å; L401-E403 PolarHBondContact O-N 3.13Å
404	S	90.5	Very high	96.5	Very high	22 Å²	22	30.7 Å²	30.7	15%	0.154	15%	0.146	C	C	.	.	H	α-helix	trans	-67.5	-43	-175.6	-65.1	0	0	0	0	114.1	V321 A400 L401	V321-S404 WeakPolarHBondContact CG1-OG 3.46Å; A400-S404 VanDerWaalsContact O-CB 3.23Å; A400-S404 WeakPolarHBondContact O-CB 3.47Å; A400-S404 PolarHBondContact O-N 3.22Å; A400-S404 PolarHBondContact O-OG 3.44Å; L401-S404 PolarHBondContact O-N 2.98Å
405	I	90.8	Very high	96.5	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.051	16%	0.157	C	C	.	.	H	α-helix	trans	-124.5	-7.4	-171.4	71.9	-174.5	0	0	0	115	I329 Y364 L371 L401 P407	I329-I405 HydrophobicContact CD1-CG2 4.06Å; I329-I405 HydrophobicContact CG1-CG2 4.15Å; Y364-I405 HydrophobicContact CD2-CD1 3.55Å; Y364-I405 HydrophobicContact CE2-CD1 3.46Å; Y364-I405 VanDerWaalsContact CE2-CD1 3.46Å; Y364-I405 HydrophobicContact CG-CD1 4.22Å; L371-I405 HydrophobicContact CB-CD1 4.18Å; L371-I405 HydrophobicContact CB-CG2 4.09Å; L371-I405 HydrophobicContact CD1-CG2 4.19Å; L371-I405 HydrophobicContact CG-CG2 4.5Å; L401-I405 PolarHBondContact O-N 2.98Å; L401-I405 VanDerWaalsContact O-N 3.13Å; I405-P407 HydrophobicContact CD1-CB 4.45Å; I405-P407 HydrophobicContact CG1-CB 4.2Å; I405-P407 HydrophobicContact CG1-CG 4.06Å
406	K	93.8	Very high	96.5	Very high	156 Å²	156	28.5 Å²	28.5	68%	0.678	14%	0.137	S	C	*	.			trans	47.7	55.6	-178.7	-57.8	179.7	-176.2	178.3	0	113.2	N367 N402	N367-K406 WeakPolarHBondContact CB-O 3.35Å; N402-K406 VanDerWaalsContact O-CA 3.28Å; N402-K406 WeakPolarHBondContact O-CA 3.4Å; N402-K406 PolarHBondContact O-N 3.42Å
407	P	96.1	Very high	96.5	Very high	11 Å²	11	29.2 Å²	29.2	7%	0.071	14%	0.143	C	C	.	.			trans	-70.6	168.6	179.4	34.8	-32.6	0	0	0	110.5	Y364 I365 I405 G409 V410	Y364-P407 HydrophobicContact CD2-CB 4.11Å; I365-P407 CarbonylContact O-C 3.57Å; I365-P407 WeakPolarHBondContact O-CB 3.38Å; I405-P407 HydrophobicContact CD1-CB 4.45Å; I405-P407 HydrophobicContact CG1-CB 4.2Å; I405-P407 HydrophobicContact CG1-CG 4.06Å; P407-G409 VanDerWaalsContact C-N 3.27Å; P407-G409 PolarHBondContact O-N 2.98Å; P407-V410 HydrophobicContact CG-CG2 3.38Å
408	K	97.3	Very high	96.5	Very high	66 Å²	66	30.1 Å²	30.1	29%	0.287	15%	0.148	S	C	.	.	S	Bend	trans	-66.3	-33.9	172.9	-45.4	-178.8	-164.2	156.9	0	111.3	D335 I365 P366 N367 G440 D441	D335-K408 PolarHBondContact O-NZ 3.44Å; D335-K408 IonicContact OD2-NZ 2.74Å; D335-K408 PolarHBondContact OD2-NZ 3.16Å; I365-K408 HydrophobicContact CB-CB 4.25Å; I365-K408 HydrophobicContact CG2-CB 4.12Å; I365-K408 HydrophobicContact CG2-CD 3.75Å; I365-K408 HydrophobicContact CG2-CG 4.14Å; I365-K408 PolarHBondContact O-N 2.98Å; P366-K408 WeakPolarHBondContact O-CE 3.24Å; N367-K408 HydrophobicContact CB-CG 4.37Å; K408-G440 WeakPolarHBondContact O-CA 3.14Å; K408-D441 HydrophobicContact CB-CB 4.44Å; K408-D441 WeakPolarHBondContact CB-OD2 3.48Å; K408-D441 PolarHBondContact O-N 3.13Å
409	G	97.5	Very high	96.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	161.5	173	0	0	0	0	0	113.5	Y364 I365 P407 L439	Y364-G409 VanDerWaalsContact CA-O 3.27Å; Y364-G409 WeakPolarHBondContact CA-O 3.43Å; Y364-G409 WeakPolarHBondContact CB-O 3.42Å; I365-G409 PolarHBondContact N-O 3.49Å; P407-G409 VanDerWaalsContact C-N 3.27Å; P407-G409 PolarHBondContact O-N 2.98Å; G409-L439 CarbonylContact C-O 3.55Å; G409-L439 WeakPolarHBondContact CA-O 3.23Å
410	V	98.2	Very high	96.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	138.1	176.1	-174.2	0	0	0	0	109.4	G363 A398 L401 N402 P407 V412 M438 L439	G363-V410 WeakPolarHBondContact O-CA 3.36Å; A398-V410 HydrophobicContact CB-CG1 4.38Å; L401-V410 HydrophobicContact CB-CG1 4.19Å; L401-V410 HydrophobicContact CB-CG2 4.39Å; L401-V410 HydrophobicContact CD1-CG1 4.01Å; N402-V410 HydrophobicContact CB-CG2 4.14Å; P407-V410 HydrophobicContact CG-CG2 3.38Å; V410-V412 HydrophobicContact CG1-CG2 4.17Å; V410-M438 CarbonylContact O-C 3.12Å; V410-M438 WeakPolarHBondContact O-CA 3.38Å; V410-L439 HydrophobicContact CB-CB 4.31Å; V410-L439 PolarHBondContact N-O 3.2Å; V410-L439 PolarHBondContact O-N 2.92Å
411	G	98	Very high	96.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.6	168.6	0	0	0	0	0	110.1	I362 G363 M438 F452	I362-G411 WeakPolarHBondContact CA-O 3.46Å; G363-G411 PolarHBondContact N-O 2.95Å; G363-G411 PolarHBondContact O-N 2.79Å; G411-M438 VanDerWaalsContact CA-SD 3.59Å; G411-F452 WeakPolarHBondContact O-CZ 3.42Å
412	V	98.4	Very high	96.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.7	172.8	-176.3	0	0	0	0	108.6	V360 S361 T394 I397 A398 L401 V410 I414 T436 T437	V360-V412 HydrophobicContact CG1-CG1 3.83Å; S361-V412 WeakPolarHBondContact O-CA 3.49Å; T394-V412 HydrophobicContact CG2-CB 4.22Å; T394-V412 HydrophobicContact CG2-CG1 4.01Å; I397-V412 HydrophobicContact CB-CG1 4.46Å; I397-V412 HydrophobicContact CG2-CG1 4.17Å; I397-V412 HydrophobicContact CG2-CG2 4.04Å; A398-V412 HydrophobicContact CB-CB 4.32Å; A398-V412 HydrophobicContact CB-CG2 3.68Å; L401-V412 HydrophobicContact CD1-CG2 4.38Å; V410-V412 HydrophobicContact CG1-CG2 4.17Å; V412-I414 HydrophobicContact CG1-CG1 4.3Å; V412-T436 CarbonylContact O-C 3.58Å; V412-T436 WeakPolarHBondContact O-CA 3.32Å; V412-T437 PolarHBondContact N-O 2.89Å; V412-T437 PolarHBondContact O-N 3.09Å
413	I	98.3	Very high	96.8	Very high	16 Å²	16	38.6 Å²	38.6	8%	0.082	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.7	172.2	-51.4	174.1	0	0	0	106.8	V360 S361 I434 T435 T436 F452 L453 A456	V360-I413 CarbonylContact C-O 3.53Å; V360-I413 WeakPolarHBondContact CA-O 3.46Å; S361-I413 PolarHBondContact N-O 3.25Å; S361-I413 PolarHBondContact O-N 3.15Å; I413-I434 HydrophobicContact CG2-CG2 4.08Å; I413-T435 WeakPolarHBondContact CA-O 3.34Å; I413-T436 HydrophobicContact CB-CG2 4.4Å; I413-T436 HydrophobicContact CG1-CG2 4.07Å; I413-T436 HydrophobicContact CG2-CG2 4.18Å; I413-F452 HydrophobicContact CD1-CE1 3.88Å; I413-F452 HydrophobicContact CD1-CZ 3.99Å; I413-F452 HydrophobicContact CG1-CE1 3.78Å; I413-F452 HydrophobicContact CG1-CZ 3.91Å; I413-L453 HydrophobicContact CD1-CD2 3.95Å; I413-A456 HydrophobicContact CD1-CB 3.83Å
414	I	98.3	Very high	97	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.5	166.9	-53.5	-167.4	0	0	0	108.1	M345 H359 V360 Q390 L393 T394 I397 V412 A416 I434 T435	M345-I414 HydrophobicContact CE-CG2 3.74Å; H359-I414 WeakPolarHBondContact O-CA 3.28Å; V360-I414 HydrophobicContact CB-CG1 4.49Å; V360-I414 HydrophobicContact CG1-CG1 4.12Å; V360-I414 HydrophobicContact CG2-CD1 4.02Å; V360-I414 HydrophobicContact CG2-CG1 3.93Å; V360-I414 HydrophobicContact CG2-CG2 4.39Å; Q390-I414 HydrophobicContact CG-CB 4.42Å; Q390-I414 HydrophobicContact CG-CG2 4.09Å; Q390-I414 PolarHBondContact NE2-O 2.93Å; Q390-I414 VanDerWaalsContact NE2-O 3.08Å; L393-I414 HydrophobicContact CB-CD1 4.45Å; L393-I414 HydrophobicContact CD2-CD1 3.98Å; L393-I414 HydrophobicContact CG-CD1 3.74Å; T394-I414 HydrophobicContact CG2-CG1 4.2Å; T394-I414 WeakPolarHBondContact OG1-CD1 3.24Å; T394-I414 WeakPolarHBondContact OG1-CG1 3.36Å; I397-I414 HydrophobicContact CD1-CD1 4.15Å; V412-I414 HydrophobicContact CG1-CG1 4.3Å; I414-A416 HydrophobicContact CG2-CB 4.23Å; I414-I434 CarbonylContact O-C 3.52Å; I414-I434 WeakPolarHBondContact O-CA 3.21Å; I414-T435 PolarHBondContact N-O 2.8Å; I414-T435 PolarHBondContact O-N 3.48Å
415	E	98.1	Very high	97.2	Very high	52 Å²	52	39.4 Å²	39.4	24%	0.243	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.1	164	179.5	-179.1	-159.1	0	0	108	G358 H359 T432 T433 I434 R458	G358-E415 CarbonylContact C-O 3.59Å; G358-E415 WeakPolarHBondContact CA-O 3.18Å; H359-E415 PolarHBondContact N-O 3.02Å; H359-E415 PolarHBondContact O-N 3.3Å; E415-T432 HydrophobicContact CG-CG2 4.47Å; E415-T432 PolarHBondContact OE1-OG1 2.98Å; E415-T433 WeakPolarHBondContact CA-O 3.27Å; E415-I434 HydrophobicContact CB-CG1 4.14Å; E415-I434 HydrophobicContact CG-CG1 3.98Å; E415-R458 WeakPolarHBondContact OE2-CD 3.38Å
416	A	98.3	Very high	97.6	Very high	1 Å²	1	43 Å²	43	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154.5	179.9	0	0	0	0	0	113.9	M345 F356 I357 I414 T432 T433	M345-A416 HydrophobicContact CE-CB 4.01Å; F356-A416 HydrophobicContact CD2-CB 4.03Å; I357-A416 WeakPolarHBondContact O-CA 3.34Å; I414-A416 HydrophobicContact CG2-CB 4.23Å; A416-T432 CarbonylContact O-C 3.53Å; A416-T433 PolarHBondContact N-O 2.8Å; A416-T433 PolarHBondContact O-N 3.15Å
417	T	98.3	Very high	97.7	Very high	39 Å²	39	41.6 Å²	41.6	24%	0.239	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.3	179	-54.6	0	0	0	0	109.2	F356 I357 M419 I422	F356-T417 WeakPolarHBondContact CA-O 3.4Å; I357-T417 PolarHBondContact N-O 2.91Å; I357-T417 VanDerWaalsContact N-O 3.11Å; I357-T417 PolarHBondContact O-N 3.36Å; T417-M419 HydrophobicContact CG2-CE 3.73Å; T417-I422 HydrophobicContact CG2-CD1 3.27Å; T417-I422 HydrophobicContact CG2-CG1 4.33Å
418	H	98.6	Very high	97.8	Very high	20 Å²	20	47.2 Å²	47.2	9%	0.093	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	110.5	-175.8	-73.5	-92.2	0	0	0	111.2	F356 Q390 C420 M421 I422	F356-H418 HydrophobicContact CB-CB 4.42Å; F356-H418 WeakPolarHBondContact CB-ND1 3.33Å; F356-H418 AromaticContact CD1-CE1 3.98Å; F356-H418 AromaticContact CD2-CE1 3.75Å; F356-H418 AromaticContact CG-CE1 3.54Å; F356-H418 AromaticContact CG-ND1 3.73Å; Q390-H418 PolarHBondContact OE1-NE2 3.16Å; H418-C420 PolarHBondContact O-N 3.32Å; H418-C420 VanDerWaalsContact O-N 3.13Å; H418-M421 HydrophobicContact CB-CB 4.38Å; H418-M421 HydrophobicContact CB-CG 4.18Å; H418-M421 HydrophobicContact CB-SD 4.14Å; H418-M421 PolarHBondContact O-N 3.2Å; H418-I422 PolarHBondContact O-N 3.14Å
419	M	98.3	Very high	97.8	Very high	53 Å²	53	49.9 Å²	49.9	26%	0.261	26%	0.26	S	S	.	.	H	α-helix	trans	-61.6	-26.8	179.3	-64.2	-64.2	104.8	0	0	111.9	I354 P355 T417 M421 I422 M423	I354-M419 HydrophobicContact CG2-CB 3.57Å; P355-M419 VanDerWaalsContact O-CB 3.27Å; P355-M419 WeakPolarHBondContact O-CB 3.43Å; P355-M419 WeakPolarHBondContact O-CG 3.37Å; P355-M419 PolarHBondContact O-N 3.45Å; P355-M419 VanDerWaalsContact O-N 3.12Å; T417-M419 HydrophobicContact CG2-CE 3.73Å; M419-M421 PolarHBondContact O-N 2.88Å; M419-I422 HydrophobicContact CE-CD1 3.96Å; M419-I422 PolarHBondContact O-N 3.07Å; M419-I422 VanDerWaalsContact O-N 3.1Å; M419-M423 HydrophobicContact CB-SD 4.25Å; M419-M423 WeakPolarHBondContact O-CG 3.39Å; M419-M423 PolarHBondContact O-N 3.45Å
420	C	97.8	Very high	97.7	Very high	13 Å²	13	57.2 Å²	57.2	9%	0.088	30%	0.299	C	S	.	.	H	α-helix	trans	-68.1	-12.3	174.4	60.8	0	0	0	0	114.7	H352 I354 H418 R424	H352-C420 HydrophobicContact CB-CB 4.24Å; I354-C420 HydrophobicContact CB-CB 4.32Å; I354-C420 HydrophobicContact CD1-CB 4.48Å; I354-C420 HydrophobicContact CG2-CB 4.01Å; H418-C420 PolarHBondContact O-N 3.32Å; H418-C420 VanDerWaalsContact O-N 3.13Å; C420-R424 WeakPolarHBondContact O-CG 3.17Å
421	M	98	Very high	97.6	Very high	61 Å²	61	58.8 Å²	58.8	30%	0.3	31%	0.311	S	S	.	.	H	α-helix	trans	-99.2	-17.9	169.2	-67.8	175.8	64.7	0	0	113.4	H418 M419 R424 V426 Q427 K428 S431	H418-M421 HydrophobicContact CB-CB 4.38Å; H418-M421 HydrophobicContact CB-CG 4.18Å; H418-M421 HydrophobicContact CB-SD 4.14Å; H418-M421 PolarHBondContact O-N 3.2Å; M419-M421 PolarHBondContact O-N 2.88Å; M421-R424 CarbonylContact C-O 3.46Å; M421-V426 HydrophobicContact CB-CG2 4.09Å; M421-V426 HydrophobicContact CE-CG2 4.33Å; M421-V426 HydrophobicContact CG-CG2 4.3Å; M421-Q427 CarbonylContact O-C 3.54Å; M421-Q427 WeakPolarHBondContact O-CA 3.47Å; M421-Q427 PolarHBondContact O-N 3.24Å; M421-K428 PolarHBondContact O-N 3.36Å; M421-S431 WeakPolarHBondContact CE-OG 3.29Å
422	I	97.7	Very high	97.5	Very high	35 Å²	35	61.9 Å²	61.9	18%	0.179	33%	0.329	C	S	.	.	H	α-helix	trans	-96	-55.9	-178.5	-67	-170.7	0	0	0	111.9	T417 H418 M419 R424 Q427 I429	T417-I422 HydrophobicContact CG2-CD1 3.27Å; T417-I422 HydrophobicContact CG2-CG1 4.33Å; H418-I422 PolarHBondContact O-N 3.14Å; M419-I422 HydrophobicContact CE-CD1 3.96Å; M419-I422 PolarHBondContact O-N 3.07Å; M419-I422 VanDerWaalsContact O-N 3.1Å; I422-R424 VanDerWaalsContact C-N 3.31Å; I422-R424 PolarHBondContact O-N 3.41Å; I422-Q427 WeakPolarHBondContact O-CA 3.46Å; I422-I429 WeakPolarHBondContact CD1-O 3.43Å; I422-I429 HydrophobicContact CG2-CG1 4.42Å
423	M	97.2	Very high	97.5	Very high	125 Å²	125	64 Å²	64	62%	0.616	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-12	-171.8	81.2	-167.2	-66.6	0	0	113.5	I354 M419	I354-M423 HydrophobicContact CD1-SD 4.38Å; I354-M423 HydrophobicContact CG2-SD 4.22Å; M419-M423 HydrophobicContact CB-SD 4.25Å; M419-M423 WeakPolarHBondContact O-CG 3.39Å; M419-M423 PolarHBondContact O-N 3.45Å
424	R	97.2	Very high	97.5	Very high	106 Å²	106	68.5 Å²	68.5	40%	0.4	37%	0.365	S	S	.	.	S	Bend	trans	-153.9	175.7	-178	65.3	-178.4	-72	-86.9	13.7	110.6	H352 C420 M421 I422 V426 Q427	H352-R424 PolarHBondContact CD2-NH1 3.02Å; H352-R424 PolarHBondContact CE1-NH1 2.81Å; H352-R424 PolarHBondContact NE2-NH1 3.39Å; C420-R424 WeakPolarHBondContact O-CG 3.17Å; M421-R424 CarbonylContact C-O 3.46Å; I422-R424 VanDerWaalsContact C-N 3.31Å; I422-R424 PolarHBondContact O-N 3.41Å; R424-V426 PolarHBondContact O-N 3.47Å; R424-Q427 PolarHBondContact O-N 3.02Å
425	G	96	Very high	97.5	Very high	64 Å²	64	69.3 Å²	69.3	66%	0.66	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	-119.4	176.3	0	0	0	0	0	111.4	Q427	G425-Q427 VanDerWaalsContact C-N 3.31Å; G425-Q427 PolarHBondContact O-N 3.23Å
426	V	97.3	Very high	97.5	Very high	86 Å²	86	70.1 Å²	70.1	52%	0.521	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-13.1	-175.2	-64.5	0	0	0	0	114.9	M421 R424 K428	M421-V426 HydrophobicContact CB-CG2 4.09Å; M421-V426 HydrophobicContact CE-CG2 4.33Å; M421-V426 HydrophobicContact CG-CG2 4.3Å; R424-V426 PolarHBondContact O-N 3.47Å; V426-K428 HydrophobicContact CB-CG 4.13Å; V426-K428 HydrophobicContact CG2-CG 3.98Å; V426-K428 VanDerWaalsContact O-CD 3.29Å; V426-K428 WeakPolarHBondContact O-CD 3.31Å; V426-K428 WeakPolarHBondContact O-CE 3.41Å; V426-K428 WeakPolarHBondContact O-CG 3.43Å; V426-K428 PolarHBondContact O-N 3.5Å; V426-K428 PolarHBondContact O-NZ 3.45Å
427	Q	96.9	Very high	97.5	Very high	125 Å²	125	71.3 Å²	71.3	58%	0.584	39%	0.386	S	S	*	.			trans	48.9	48.5	175.4	-62.2	-178.7	-51.9	0	0	114.6	M421 I422 R424 G425 I429	M421-Q427 CarbonylContact O-C 3.54Å; M421-Q427 WeakPolarHBondContact O-CA 3.47Å; M421-Q427 PolarHBondContact O-N 3.24Å; I422-Q427 WeakPolarHBondContact O-CA 3.46Å; R424-Q427 PolarHBondContact O-N 3.02Å; G425-Q427 VanDerWaalsContact C-N 3.31Å; G425-Q427 PolarHBondContact O-N 3.23Å; Q427-I429 PolarHBondContact O-N 3.48Å
428	K	97.9	Very high	97.5	Very high	129 Å²	129	70.8 Å²	70.8	56%	0.561	38%	0.381	S	S	*	.			trans	-98.7	85.4	-178.5	-57.5	-49.7	179.2	-161.7	0	111.2	M421 V426 N430 S431	M421-K428 PolarHBondContact O-N 3.36Å; V426-K428 HydrophobicContact CB-CG 4.13Å; V426-K428 HydrophobicContact CG2-CG 3.98Å; V426-K428 VanDerWaalsContact O-CD 3.29Å; V426-K428 WeakPolarHBondContact O-CD 3.31Å; V426-K428 WeakPolarHBondContact O-CE 3.41Å; V426-K428 WeakPolarHBondContact O-CG 3.43Å; V426-K428 PolarHBondContact O-N 3.5Å; V426-K428 PolarHBondContact O-NZ 3.45Å; K428-N430 PolarHBondContact O-N 3.46Å; K428-N430 VanDerWaalsContact O-N 3.15Å; K428-S431 VanDerWaalsContact O-CB 3.24Å; K428-S431 WeakPolarHBondContact O-CB 3.27Å; K428-S431 PolarHBondContact O-N 3.1Å
429	I	96.6	Very high	97.4	Very high	123 Å²	123	71.8 Å²	71.8	63%	0.631	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-39.3	-174.5	-58.8	173.4	0	0	0	113.2	I422 Q427	I422-I429 WeakPolarHBondContact CD1-O 3.43Å; I422-I429 HydrophobicContact CG2-CG1 4.42Å; Q427-I429 PolarHBondContact O-N 3.48Å
430	N	96	Very high	97.4	Very high	153 Å²	153	70.4 Å²	70.4	82%	0.818	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	10	-175.7	-58.8	3	0	0	0	113.4	K428 T432	K428-N430 PolarHBondContact O-N 3.46Å; K428-N430 VanDerWaalsContact O-N 3.15Å; N430-T432 PolarHBondContact O-N 2.73Å
431	S	96	Very high	97.4	Very high	34 Å²	34	72.5 Å²	72.5	24%	0.238	40%	0.397	C	S	.	.			trans	-82.5	108.2	-176.3	-164.2	0	0	0	0	111.4	M421 K428	M421-S431 WeakPolarHBondContact CE-OG 3.29Å; K428-S431 VanDerWaalsContact O-CB 3.24Å; K428-S431 WeakPolarHBondContact O-CB 3.27Å; K428-S431 PolarHBondContact O-N 3.1Å
432	T	97	Very high	97.3	Very high	64 Å²	64	69.6 Å²	69.6	39%	0.393	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	168.3	162.3	61.9	0	0	0	0	110.5	E415 A416 N430	E415-T432 HydrophobicContact CG-CG2 4.47Å; E415-T432 PolarHBondContact OE1-OG1 2.98Å; A416-T432 CarbonylContact O-C 3.53Å; N430-T432 PolarHBondContact O-N 2.73Å
433	T	98	Very high	97.3	Very high	44 Å²	44	74.1 Å²	74.1	27%	0.27	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	121.1	174.6	-59.2	0	0	0	0	107.8	Q390 E415 A416 T435	Q390-T433 PolarHBondContact NE2-O 3.21Å; E415-T433 WeakPolarHBondContact CA-O 3.27Å; A416-T433 PolarHBondContact N-O 2.8Å; A416-T433 PolarHBondContact O-N 3.15Å; T433-T435 HydrophobicContact CG2-CG2 4.38Å
434	I	97.8	Very high	97.3	Very high	111 Å²	111	75.6 Å²	75.6	57%	0.569	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	127	178.7	-58.7	175.5	0	0	0	108.6	I413 I414 E415	I413-I434 HydrophobicContact CG2-CG2 4.08Å; I414-I434 CarbonylContact O-C 3.52Å; I414-I434 WeakPolarHBondContact O-CA 3.21Å; E415-I434 HydrophobicContact CB-CG1 4.14Å; E415-I434 HydrophobicContact CG-CG1 3.98Å
435	T	98.4	Very high	97.3	Very high	17 Å²	17	73.9 Å²	73.9	10%	0.104	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143	175.9	52.4	0	0	0	0	109.5	Q390 E391 T394 I413 I414 T433	Q390-T435 HydrophobicContact CB-CG2 4.33Å; Q390-T435 HydrophobicContact CG-CG2 4.01Å; Q390-T435 WeakPolarHBondContact CG-OG1 3.31Å; Q390-T435 PolarHBondContact NE2-OG1 3.05Å; E391-T435 HydrophobicContact CG-CG2 3.95Å; T394-T435 PolarHBondContact OG1-OG1 2.88Å; I413-T435 WeakPolarHBondContact CA-O 3.34Å; I414-T435 PolarHBondContact N-O 2.8Å; I414-T435 PolarHBondContact O-N 3.48Å; T433-T435 HydrophobicContact CG2-CG2 4.38Å
436	T	97.9	Very high	97.3	Very high	70 Å²	70	71.9 Å²	71.9	43%	0.429	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	158.6	179.8	63.5	0	0	0	0	112.2	V412 I413	V412-T436 CarbonylContact O-C 3.58Å; V412-T436 WeakPolarHBondContact O-CA 3.32Å; I413-T436 HydrophobicContact CB-CG2 4.4Å; I413-T436 HydrophobicContact CG1-CG2 4.07Å; I413-T436 HydrophobicContact CG2-CG2 4.18Å
437	T	98.4	Very high	97.3	Very high	26 Å²	26	76 Å²	76	16%	0.16	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	125.2	165.9	-67	0	0	0	0	108.7	A398 V412 L439	A398-T437 HydrophobicContact CB-CG2 3.58Å; V412-T437 PolarHBondContact N-O 2.89Å; V412-T437 PolarHBondContact O-N 3.09Å; T437-L439 HydrophobicContact CG2-CD2 4.41Å; T437-L439 HydrophobicContact CG2-CG 4.39Å
438	M	98	Very high	97.2	Very high	27 Å²	27	72 Å²	72	13%	0.133	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.8	177	-47.4	-57.3	-173.9	0	0	110.1	V410 G411 L442 K443 R449 F452 L453	V410-M438 CarbonylContact O-C 3.12Å; V410-M438 WeakPolarHBondContact O-CA 3.38Å; G411-M438 VanDerWaalsContact CA-SD 3.59Å; M438-L442 WeakPolarHBondContact CB-O 3.48Å; M438-K443 HydrophobicContact CB-CB 4.01Å; M438-R449 HydrophobicContact CE-CG 4.15Å; M438-R449 HydrophobicContact CG-CG 4.31Å; M438-F452 HydrophobicContact CE-CD1 3.78Å; M438-F452 HydrophobicContact CE-CE1 3.79Å; M438-F452 HydrophobicContact SD-CD1 3.9Å; M438-F452 HydrophobicContact SD-CE1 3.81Å; M438-L453 HydrophobicContact CE-CD2 3.79Å; M438-L453 HydrophobicContact CE-CG 4.16Å
439	L	98.2	Very high	97.2	Very high	41 Å²	41	69.7 Å²	69.7	22%	0.215	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.6	-179.6	-58	175.3	0	0	0	110.1	A398 I399 N402 G409 V410 T437	A398-L439 HydrophobicContact CB-CD1 3.92Å; A398-L439 HydrophobicContact CB-CG 4.46Å; A398-L439 WeakPolarHBondContact O-CD1 3.34Å; I399-L439 HydrophobicContact CG1-CD1 4.47Å; N402-L439 HydrophobicContact CB-CD1 3.88Å; G409-L439 CarbonylContact C-O 3.55Å; G409-L439 WeakPolarHBondContact CA-O 3.23Å; V410-L439 HydrophobicContact CB-CB 4.31Å; V410-L439 PolarHBondContact N-O 3.2Å; V410-L439 PolarHBondContact O-N 2.92Å; T437-L439 HydrophobicContact CG2-CD2 4.41Å; T437-L439 HydrophobicContact CG2-CG 4.39Å
440	G	97.7	Very high	97.2	Very high	24 Å²	24	68.1 Å²	68.1	25%	0.247	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	58.1	-139.4	179.1	0	0	0	0	0	113.3	K408 L442 K443 E444	K408-G440 WeakPolarHBondContact O-CA 3.14Å; G440-L442 PolarHBondContact O-N 3.02Å; G440-L442 VanDerWaalsContact O-N 3.08Å; G440-K443 WeakPolarHBondContact O-CA 3.37Å; G440-K443 VanDerWaalsContact O-CB 3.31Å; G440-K443 WeakPolarHBondContact O-CB 3.42Å; G440-K443 PolarHBondContact O-N 2.79Å; G440-E444 PolarHBondContact O-N 3.29Å; G440-E444 VanDerWaalsContact O-N 3.09Å
441	D	97	Very high	97.2	Very high	57 Å²	57	65 Å²	65	31%	0.305	34%	0.339	S	S	.	.	H	α-helix	trans	-47.7	-40.1	-179.3	-72.6	11.3	0	0	0	113.6	I365 K408 K443 E444 N445 L448	I365-D441 HydrophobicContact CD1-CB 4.05Å; K408-D441 HydrophobicContact CB-CB 4.44Å; K408-D441 WeakPolarHBondContact CB-OD2 3.48Å; K408-D441 PolarHBondContact O-N 3.13Å; D441-K443 PolarHBondContact O-N 3.08Å; D441-E444 PolarHBondContact O-N 3.22Å; D441-N445 WeakPolarHBondContact O-CB 3.43Å; D441-N445 PolarHBondContact O-N 2.81Å; D441-L448 HydrophobicContact CB-CD1 4.17Å
442	L	96.8	Very high	97.2	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-73.8	-12.1	-179.8	-73.7	171.7	0	0	0	113.9	L337 I365 M438 G440 L448 R449 F452	L337-L442 HydrophobicContact CD1-CD1 4.05Å; L337-L442 HydrophobicContact CD1-CD2 4.34Å; I365-L442 HydrophobicContact CD1-CD2 4.21Å; I365-L442 HydrophobicContact CD1-CG 4.08Å; I365-L442 HydrophobicContact CG1-CD1 4.4Å; I365-L442 HydrophobicContact CG1-CG 4.35Å; M438-L442 WeakPolarHBondContact CB-O 3.48Å; G440-L442 PolarHBondContact O-N 3.02Å; G440-L442 VanDerWaalsContact O-N 3.08Å; L442-L448 HydrophobicContact CD2-CB 3.98Å; L442-L448 VanDerWaalsContact CD2-O 3.23Å; L442-L448 WeakPolarHBondContact CD2-O 3.39Å; L442-R449 VanDerWaalsContact O-CB 3.3Å; L442-R449 WeakPolarHBondContact O-CB 3.23Å; L442-R449 WeakPolarHBondContact O-CG 3.42Å; L442-F452 HydrophobicContact CD2-CB 3.85Å; L442-F452 HydrophobicContact CD2-CG 4.44Å
443	K	97.4	Very high	97.2	Very high	130 Å²	130	63.6 Å²	63.6	57%	0.565	33%	0.326	S	S	*	.	H	α-helix	trans	-91	-45.2	169.4	-171.5	-171.7	174.1	-164.7	0	110.8	M438 G440 D441 R449	M438-K443 HydrophobicContact CB-CB 4.01Å; G440-K443 WeakPolarHBondContact O-CA 3.37Å; G440-K443 VanDerWaalsContact O-CB 3.31Å; G440-K443 WeakPolarHBondContact O-CB 3.42Å; G440-K443 PolarHBondContact O-N 2.79Å; D441-K443 PolarHBondContact O-N 3.08Å; K443-R449 PolarHBondContact O-NH1 3.37Å; K443-R449 VanDerWaalsContact O-NH1 3.15Å
444	E	97.4	Very high	97	Very high	156 Å²	156	69.3 Å²	69.3	73%	0.729	35%	0.35	S	S	*	.	H	α-helix	trans	-86.7	-39.7	-166.3	-68.4	171.2	-157.5	0	0	112.8	G440 D441	G440-E444 PolarHBondContact O-N 3.29Å; G440-E444 VanDerWaalsContact O-N 3.09Å; D441-E444 PolarHBondContact O-N 3.22Å
445	N	96.7	Very high	96.9	Very high	70 Å²	70	68.1 Å²	68.1	37%	0.374	34%	0.344	S	S	.	.			trans	-92.3	111.1	176.9	-174.7	-14.1	0	0	0	110.9	D441 K447 L448 R449	D441-N445 WeakPolarHBondContact O-CB 3.43Å; D441-N445 PolarHBondContact O-N 2.81Å; N445-K447 VanDerWaalsContact C-N 3.32Å; N445-K447 PolarHBondContact O-N 3.05Å; N445-K447 PolarHBondContact OD1-N 3.07Å; N445-L448 HydrophobicContact CB-CB 4.36Å; N445-L448 HydrophobicContact CB-CD1 3.98Å; N445-L448 HydrophobicContact CB-CG 4.3Å; N445-L448 VanDerWaalsContact ND2-CD1 3.34Å; N445-L448 WeakPolarHBondContact ND2-CD1 3.33Å; N445-L448 PolarHBondContact O-N 3.5Å; N445-R449 PolarHBondContact O-N 3.39Å
446	G	96.2	Very high	96.7	Very high	22 Å²	22	67.3 Å²	67.3	23%	0.227	34%	0.339	C	S	.	.	H	α-helix	trans	-56.5	-41.1	178.2	0	0	0	0	0	113.8	L448 R449 D450	G446-L448 PolarHBondContact O-N 2.87Å; G446-R449 WeakPolarHBondContact O-CB 3.36Å; G446-R449 PolarHBondContact O-N 3.06Å; G446-D450 WeakPolarHBondContact O-CB 3.28Å; G446-D450 PolarHBondContact O-N 3.03Å
447	K	96.5	Very high	95.8	Very high	174 Å²	174	65.2 Å²	65.2	76%	0.757	33%	0.332	S	S	*	.	H	α-helix	trans	-63.6	-46.4	-176.1	-63.8	-176.3	178.4	-177.9	0	112.3	N445 R449 D450 E451	N445-K447 VanDerWaalsContact C-N 3.32Å; N445-K447 PolarHBondContact O-N 3.05Å; N445-K447 PolarHBondContact OD1-N 3.07Å; K447-R449 VanDerWaalsContact C-N 3.3Å; K447-R449 PolarHBondContact O-N 3.27Å; K447-D450 PolarHBondContact O-N 3.49Å; K447-E451 WeakPolarHBondContact O-CB 3.36Å; K447-E451 PolarHBondContact O-N 3.42Å
448	L	96.1	Very high	94.5	Very high	41 Å²	41	69.5 Å²	69.5	22%	0.215	35%	0.345	C	S	.	.	H	α-helix	trans	-66	-35	178.4	-65.8	171.8	0	0	0	111.6	I365 D441 L442 N445 G446 F452	I365-L448 HydrophobicContact CD1-CB 4.39Å; I365-L448 HydrophobicContact CD1-CD1 3.78Å; I365-L448 HydrophobicContact CD1-CD2 4.3Å; I365-L448 HydrophobicContact CD1-CG 4.39Å; D441-L448 HydrophobicContact CB-CD1 4.17Å; L442-L448 HydrophobicContact CD2-CB 3.98Å; L442-L448 VanDerWaalsContact CD2-O 3.23Å; L442-L448 WeakPolarHBondContact CD2-O 3.39Å; N445-L448 HydrophobicContact CB-CB 4.36Å; N445-L448 HydrophobicContact CB-CD1 3.98Å; N445-L448 HydrophobicContact CB-CG 4.3Å; N445-L448 VanDerWaalsContact ND2-CD1 3.34Å; N445-L448 WeakPolarHBondContact ND2-CD1 3.33Å; N445-L448 PolarHBondContact O-N 3.5Å; G446-L448 PolarHBondContact O-N 2.87Å; L448-F452 WeakPolarHBondContact O-CB 3.46Å; L448-F452 PolarHBondContact O-N 3.24Å
449	R	96.9	Very high	92.6	Very high	80 Å²	80	81.7 Å²	81.7	30%	0.302	40%	0.397	S	S	.	.	H	α-helix	trans	-66.5	-44	174.6	-171.9	-178.8	60	-124.9	-6.2	111.9	M438 L442 K443 N445 G446 K447 F452 L453	M438-R449 HydrophobicContact CE-CG 4.15Å; M438-R449 HydrophobicContact CG-CG 4.31Å; L442-R449 VanDerWaalsContact O-CB 3.3Å; L442-R449 WeakPolarHBondContact O-CB 3.23Å; L442-R449 WeakPolarHBondContact O-CG 3.42Å; K443-R449 PolarHBondContact O-NH1 3.37Å; K443-R449 VanDerWaalsContact O-NH1 3.15Å; N445-R449 PolarHBondContact O-N 3.39Å; G446-R449 WeakPolarHBondContact O-CB 3.36Å; G446-R449 PolarHBondContact O-N 3.06Å; K447-R449 VanDerWaalsContact C-N 3.3Å; K447-R449 PolarHBondContact O-N 3.27Å; R449-F452 PolarHBondContact O-N 3.37Å; R449-L453 HydrophobicContact CG-CD1 4.19Å; R449-L453 WeakPolarHBondContact O-CB 3.45Å; R449-L453 VanDerWaalsContact O-CG 3.26Å; R449-L453 WeakPolarHBondContact O-CG 3.36Å; R449-L453 PolarHBondContact O-N 2.84Å
450	D	96.1	Very high	92.3	Very high	90 Å²	90	83.8 Å²	83.8	48%	0.481	41%	0.406	S	S	.	.	H	α-helix	trans	-72.3	-36	-177.1	-58.3	-16.5	0	0	0	110.7	G446 K447 L453 Q454	G446-D450 WeakPolarHBondContact O-CB 3.28Å; G446-D450 PolarHBondContact O-N 3.03Å; K447-D450 PolarHBondContact O-N 3.49Å; D450-L453 PolarHBondContact O-N 2.64Å; D450-Q454 WeakPolarHBondContact O-CB 3.36Å; D450-Q454 PolarHBondContact O-N 3.15Å
451	E	96.3	Very high	92.1	Very high	86 Å²	86	86.9 Å²	86.9	40%	0.402	42%	0.415	S	S	.	.	H	α-helix	trans	-58.3	-51.3	166.7	178.1	-177.9	-176.5	0	0	111.8	L337 K447 L453 Q454 L455	L337-E451 HydrophobicContact CD2-CG 4.24Å; K447-E451 WeakPolarHBondContact O-CB 3.36Å; K447-E451 PolarHBondContact O-N 3.42Å; E451-L453 PolarHBondContact O-N 2.93Å; E451-Q454 PolarHBondContact O-N 2.88Å; E451-L455 HydrophobicContact CG-CD1 3.96Å; E451-L455 WeakPolarHBondContact O-CG 3.31Å; E451-L455 PolarHBondContact O-N 2.99Å
452	F	96.9	Very high	91.8	Very high	0 Å²	0	88.6 Å²	88.6	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-57.1	-47.6	175.8	170.8	-117.8	0	0	0	111.8	L337 I339 G363 G411 I413 M438 L442 L448 R449 Q454 L455 A456	L337-F452 HydrophobicContact CD2-CB 3.91Å; I339-F452 HydrophobicContact CD1-CD2 4.03Å; I339-F452 HydrophobicContact CG1-CD2 4.24Å; G363-F452 VanDerWaalsContact CA-CE2 3.42Å; G363-F452 VanDerWaalsContact N-CE2 3.26Å; G411-F452 WeakPolarHBondContact O-CZ 3.42Å; I413-F452 HydrophobicContact CD1-CE1 3.88Å; I413-F452 HydrophobicContact CD1-CZ 3.99Å; I413-F452 HydrophobicContact CG1-CE1 3.78Å; I413-F452 HydrophobicContact CG1-CZ 3.91Å; M438-F452 HydrophobicContact CE-CD1 3.78Å; M438-F452 HydrophobicContact CE-CE1 3.79Å; M438-F452 HydrophobicContact SD-CD1 3.9Å; M438-F452 HydrophobicContact SD-CE1 3.81Å; L442-F452 HydrophobicContact CD2-CB 3.85Å; L442-F452 HydrophobicContact CD2-CG 4.44Å; L448-F452 WeakPolarHBondContact O-CB 3.46Å; L448-F452 PolarHBondContact O-N 3.24Å; R449-F452 PolarHBondContact O-N 3.37Å; F452-Q454 VanDerWaalsContact C-N 3.33Å; F452-Q454 PolarHBondContact O-N 3.02Å; F452-L455 PolarHBondContact O-N 2.78Å; F452-A456 HydrophobicContact CD2-CB 3.73Å; F452-A456 HydrophobicContact CE2-CB 3.34Å; F452-A456 HydrophobicContact CG-CB 4.49Å; F452-A456 HydrophobicContact CZ-CB 3.85Å; F452-A456 WeakPolarHBondContact O-CB 3.38Å; F452-A456 PolarHBondContact O-N 2.95Å
453	L	96	Very high	91.5	Very high	70 Å²	70	93.8 Å²	93.8	37%	0.366	45%	0.446	S	S	.	.	H	α-helix	trans	-60.6	-40.8	178.2	-72.3	168.5	0	0	0	112.1	I413 M438 R449 D450 E451 G457	I413-L453 HydrophobicContact CD1-CD2 3.95Å; M438-L453 HydrophobicContact CE-CD2 3.79Å; M438-L453 HydrophobicContact CE-CG 4.16Å; R449-L453 HydrophobicContact CG-CD1 4.19Å; R449-L453 WeakPolarHBondContact O-CB 3.45Å; R449-L453 VanDerWaalsContact O-CG 3.26Å; R449-L453 WeakPolarHBondContact O-CG 3.36Å; R449-L453 PolarHBondContact O-N 2.84Å; D450-L453 PolarHBondContact O-N 2.64Å; E451-L453 PolarHBondContact O-N 2.93Å; L453-G457 PolarHBondContact O-N 3.36Å
454	Q	95.3	Very high	91.1	Very high	164 Å²	164	91.5 Å²	91.5	77%	0.766	44%	0.438	S	S	*	.	H	α-helix	trans	-67	-37.6	178.5	-176.7	176	90.3	0	0	113	D450 E451 F452	D450-Q454 WeakPolarHBondContact O-CB 3.36Å; D450-Q454 PolarHBondContact O-N 3.15Å; E451-Q454 PolarHBondContact O-N 2.88Å; F452-Q454 VanDerWaalsContact C-N 3.33Å; F452-Q454 PolarHBondContact O-N 3.02Å
455	L	95.6	Very high	90.7	Very high	85 Å²	85	87.2 Å²	87.2	45%	0.445	42%	0.419	S	S	.	.	H	α-helix	trans	-85.1	-37.9	-177.7	-65.6	174.1	0	0	0	113.2	I339 K341 E451 F452	I339-L455 HydrophobicContact CD1-CB 3.47Å; I339-L455 VanDerWaalsContact CD1-CB 3.47Å; I339-L455 HydrophobicContact CD1-CD1 3.94Å; I339-L455 HydrophobicContact CD1-CG 4.37Å; K341-L455 PolarHBondContact NZ-O 3.18Å; E451-L455 HydrophobicContact CG-CD1 3.96Å; E451-L455 WeakPolarHBondContact O-CG 3.31Å; E451-L455 PolarHBondContact O-N 2.99Å; F452-L455 PolarHBondContact O-N 2.78Å
456	A	93.3	Very high	90.3	Very high	1 Å²	1	88.4 Å²	88.4	1%	0.008	42%	0.422	C	S	.	.	H	α-helix	trans	-86.7	-17.7	-176.3	0	0	0	0	0	114.1	I339 S361 I413 F452	I339-A456 HydrophobicContact CG2-CB 4.21Å; S361-A456 WeakPolarHBondContact CB-O 3.17Å; S361-A456 PolarHBondContact OG-O 2.86Å; I413-A456 HydrophobicContact CD1-CB 3.83Å; F452-A456 HydrophobicContact CD2-CB 3.73Å; F452-A456 HydrophobicContact CE2-CB 3.34Å; F452-A456 HydrophobicContact CG-CB 4.49Å; F452-A456 HydrophobicContact CZ-CB 3.85Å; F452-A456 WeakPolarHBondContact O-CB 3.38Å; F452-A456 PolarHBondContact O-N 2.95Å
457	G	79.7	Confident	89.8	Confident	26 Å²	26	93.5 Å²	93.5	27%	0.268	44%	0.437	S	S	.	.	S	Bend	trans	-64.6	156	174	0	0	0	0	0	113.5	L453	L453-G457 PolarHBondContact O-N 3.36Å
458	R	71.6	Confident	89.3	Confident	116 Å²	116	86.8 Å²	86.8	44%	0.438	41%	0.41	S	S	.	.			trans	-89.8	156	168.6	-71.4	-173.4	151.3	-157.8	-6.8	110.6	D342 H359 E415	D342-R458 IonicContact OD1-CZ 3.18Å; D342-R458 IonicContact OD1-NE 2.67Å; D342-R458 PolarHBondContact OD1-NE 3.21Å; D342-R458 IonicContact OD1-NH2 2.79Å; D342-R458 PolarHBondContact OD1-NH2 2.92Å; H359-R458 PolarHBondContact CD2-NH2 3.44Å; H359-R458 PolarHBondContact CE1-NH1 3.06Å; H359-R458 VanDerWaalsContact CG-CZ 3.45Å; H359-R458 VanDerWaalsContact CG-NH2 3.31Å; H359-R458 PolarHBondContact ND1-NH1 3.19Å; H359-R458 PolarHBondContact NE2-NH2 3.26Å; E415-R458 WeakPolarHBondContact OE2-CD 3.38Å
459	K	57.6	Low	88.7	Confident	283 Å²	283	91 Å²	91	100%	1.23	43%	0.428	S	S	*	.			trans	-115.3	0	176.5	-68.8	-171.5	176.6	-174	0	109.6

Retrieved 459 of 459 residues in 132.1 ms (Link to these results)

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