A0A077YYN3_TRITR Loading...

Round spermatid basic protein 1 protein

AlphaFold DB , UniProt , Accession A0A077YYN3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 452 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	33.2	Very low	246 Å²	246	170.7 Å²	170.7	100%	1.212	89%	0.887	S	S	*	*				0	118.2	0	-82.9	165	160.1	0	0	107.5
2	K	33.1	Very low	32.8	Very low	196 Å²	196	173.3 Å²	173.3	85%	0.852	89%	0.886	S	S	*	*			trans	-77.3	122.1	176.8	-76.4	177.4	173.3	179.8	0	108.1
3	N	35.1	Very low	32.6	Very low	169 Å²	169	170.2 Å²	170.2	90%	0.904	89%	0.888	S	S	*	*			trans	-99.9	106.6	156.7	-96.7	-10.6	0	0	0	106.7
4	V	35.4	Very low	32.4	Very low	123 Å²	123	172.6 Å²	172.6	75%	0.745	89%	0.887	S	S	*	*			trans	-81.4	113.6	170.5	175.6	0	0	0	0	105.7
5	M	35.2	Very low	32.3	Very low	178 Å²	178	168.7 Å²	168.7	88%	0.877	88%	0.881	S	S	*	*			trans	-99.4	100.6	175.2	-159.7	169	158.7	0	0	105.8	T7	M5-T7 PolarHBondContact O-N 2.98Å
6	E	32.2	Very low	32.3	Very low	186 Å²	186	169.6 Å²	169.6	87%	0.869	88%	0.88	S	S	*	*	P	Polyproline II helix	trans	-61.9	123.4	172.4	-93	171.1	153.2	0	0	108.9
7	T	33.5	Very low	32.1	Very low	132 Å²	132	166.8 Å²	166.8	81%	0.81	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-90.5	124.1	172.7	33.4	0	0	0	0	107	M5	M5-T7 PolarHBondContact O-N 2.98Å
8	A	34.3	Very low	32	Very low	98 Å²	98	163.2 Å²	163.2	81%	0.81	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-67.4	131.9	-178.9	0	0	0	0	0	110.7	E10	A8-E10 PolarHBondContact O-N 3.01Å
9	D	29.1	Very low	31.9	Very low	162 Å²	162	162.1 Å²	162.1	87%	0.866	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-61.8	120.7	178.2	-73.5	-54.3	0	0	0	111.7	E11	D9-E11 PolarHBondContact O-N 3.49Å
10	E	29.2	Very low	31.7	Very low	193 Å²	193	163.2 Å²	163.2	90%	0.902	87%	0.871	S	S	*	*			trans	-70.2	102.6	166.5	-72.6	-179.3	157.8	0	0	109.5	A8 K12	A8-E10 PolarHBondContact O-N 3.01Å; E10-K12 PolarHBondContact O-N 2.65Å
11	E	30.2	Very low	31.6	Very low	195 Å²	195	158.5 Å²	158.5	91%	0.911	86%	0.862	S	S	*	*			trans	-67.2	101.9	169.4	-98.3	-169.5	152.4	0	0	110.7	D9 C13	D9-E11 PolarHBondContact O-N 3.49Å; E11-C13 PolarHBondContact O-N 2.77Å; E11-C13 VanDerWaalsContact O-N 3.11Å
12	K	28.1	Very low	31.1	Very low	201 Å²	201	154.2 Å²	154.2	87%	0.874	84%	0.842	S	S	*	*			trans	-59	106.7	167.4	-115.4	174.1	179.3	172.1	0	110.3	E10 K14	E10-K12 PolarHBondContact O-N 2.65Å; K12-K14 PolarHBondContact O-N 2.97Å; K12-K14 VanDerWaalsContact O-N 3.1Å
13	C	30.1	Very low	30.8	Very low	134 Å²	134	154.7 Å²	154.7	91%	0.905	84%	0.844	S	S	*	*			trans	-51.9	113.5	165	-101.3	0	0	0	0	110.5	E11 S15	E11-C13 PolarHBondContact O-N 2.77Å; E11-C13 VanDerWaalsContact O-N 3.11Å; C13-S15 PolarHBondContact O-N 3.27Å
14	K	29.5	Very low	30.5	Very low	203 Å²	203	153.7 Å²	153.7	88%	0.883	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-72	120.2	171.5	-74	177.7	178.3	172.2	0	109	K12 E16	K12-K14 PolarHBondContact O-N 2.97Å; K12-K14 VanDerWaalsContact O-N 3.1Å; K14-E16 PolarHBondContact O-N 3.03Å
15	S	30.8	Very low	30.3	Very low	114 Å²	114	153.3 Å²	153.3	80%	0.797	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-63.6	122.7	171.8	51.3	0	0	0	0	111.2	C13	C13-S15 PolarHBondContact O-N 3.27Å
16	E	32.1	Very low	30.2	Very low	184 Å²	184	150.7 Å²	150.7	86%	0.86	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-67.5	142.7	167.1	-73.8	-175.1	154.4	0	0	111	K14	K14-E16 PolarHBondContact O-N 3.03Å
17	P	30.3	Very low	30.1	Very low	122 Å²	122	146.2 Å²	146.2	79%	0.792	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-73.6	132.4	-178.8	28.7	-31.7	0	0	0	111.3	V19	P17-V19 PolarHBondContact O-N 3.48Å
18	A	30.2	Very low	30	Very low	101 Å²	101	145 Å²	145	84%	0.835	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-58.1	122.4	175.5	0	0	0	0	0	111	E20	A18-E20 PolarHBondContact O-N 3.24Å; A18-E20 VanDerWaalsContact O-N 3.16Å
19	V	29.1	Very low	29.8	Very low	142 Å²	142	151 Å²	151	86%	0.861	82%	0.815	S	S	*	*			trans	-69.8	108.9	170.8	179	0	0	0	0	107.9	P17 G21	P17-V19 PolarHBondContact O-N 3.48Å; V19-G21 PolarHBondContact O-N 3.11Å
20	E	28.4	Very low	29.7	Very low	185 Å²	185	153.6 Å²	153.6	86%	0.864	82%	0.819	S	S	*	*			trans	-63	114.9	176.2	-135.5	176.2	-174.9	0	0	109.2	A18 I22	A18-E20 PolarHBondContact O-N 3.24Å; A18-E20 VanDerWaalsContact O-N 3.16Å; E20-I22 PolarHBondContact O-N 2.62Å
21	G	29.5	Very low	29.7	Very low	65 Å²	65	155.8 Å²	155.8	67%	0.67	82%	0.819	S	S	*	*			trans	-60.8	129.2	-176.6	0	0	0	0	0	111.9	V19 K23	V19-G21 PolarHBondContact O-N 3.11Å; G21-K23 PolarHBondContact O-N 3.23Å
22	I	28	Very low	29.7	Very low	156 Å²	156	151.6 Å²	151.6	80%	0.8	81%	0.811	S	S	*	*			trans	-59.1	109.7	172.5	-61.5	173.2	0	0	0	108.1	E20 I24	E20-I22 PolarHBondContact O-N 2.62Å; I22-I24 HydrophobicContact CG2-CG1 4.06Å; I22-I24 PolarHBondContact O-N 3.21Å
23	K	27.7	Very low	29.7	Very low	206 Å²	206	150.1 Å²	150.1	90%	0.896	81%	0.812	S	S	*	*			trans	-65.3	101.4	166.9	-83.4	179.8	175.8	174.5	0	108.3	G21 D25	G21-K23 PolarHBondContact O-N 3.23Å; K23-D25 PolarHBondContact O-N 3.19Å
24	I	28.5	Very low	29.6	Very low	147 Å²	147	150.9 Å²	150.9	75%	0.754	81%	0.807	S	S	*	*			trans	-85.1	104.5	167	-56.8	178.3	0	0	0	106.6	I22 S26	I22-I24 HydrophobicContact CG2-CG1 4.06Å; I22-I24 PolarHBondContact O-N 3.21Å; I24-S26 PolarHBondContact O-N 3.39Å
25	D	30	Very low	29.3	Very low	116 Å²	116	150.5 Å²	150.5	62%	0.62	81%	0.806	S	S	*	*			trans	-65.6	112.5	170	-169.8	-31.3	0	0	0	108.6	K23 S27	K23-D25 PolarHBondContact O-N 3.19Å; D25-S27 PolarHBondContact O-N 3.47Å; D25-S27 VanDerWaalsContact O-N 3.14Å; D25-S27 WeakPolarHBondContact OD1-CB 3.44Å; D25-S27 PolarHBondContact OD1-N 3.34Å; D25-S27 VanDerWaalsContact OD1-N 3.13Å; D25-S27 PolarHBondContact OD1-OG 3.17Å
26	S	33.1	Very low	29.1	Very low	123 Å²	123	155.2 Å²	155.2	86%	0.86	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	11.9	-175.3	35.7	0	0	0	0	114	I24	I24-S26 PolarHBondContact O-N 3.39Å
27	S	30.6	Very low	28.8	Very low	91 Å²	91	150 Å²	150	64%	0.636	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-2.4	175.2	62.8	0	0	0	0	115.3	D25	D25-S27 PolarHBondContact O-N 3.47Å; D25-S27 VanDerWaalsContact O-N 3.14Å; D25-S27 WeakPolarHBondContact OD1-CB 3.44Å; D25-S27 PolarHBondContact OD1-N 3.34Å; D25-S27 VanDerWaalsContact OD1-N 3.13Å; D25-S27 PolarHBondContact OD1-OG 3.17Å
28	V	31.6	Very low	28.4	Very low	106 Å²	106	152.7 Å²	152.7	64%	0.642	82%	0.815	S	S	*	*	S	Bend	trans	-119.4	44.1	-172.4	-157.8	0	0	0	0	114
29	Y	29.5	Very low	28.3	Very low	226 Å²	226	157 Å²	157	89%	0.886	82%	0.818	S	S	*	*			trans	-153.2	57.8	160.4	-87.3	-72.4	0	0	0	112.1
30	F	28.3	Very low	27.9	Very low	215 Å²	215	161.6 Å²	161.6	94%	0.943	82%	0.82	S	S	*	*			trans	-134.9	77.2	156.2	-95.7	-82.9	0	0	0	108.7
31	R	28.7	Very low	27.8	Very low	239 Å²	239	162.1 Å²	162.1	90%	0.902	82%	0.822	S	S	*	*			trans	-130.5	114.1	155.6	-78.9	-167.3	179.1	-176.7	1	108.9	L33	R31-L33 PolarHBondContact O-N 3.28Å
32	S	30.3	Very low	27.6	Very low	108 Å²	108	165.8 Å²	165.8	76%	0.755	83%	0.832	S	S	*	*			trans	-41.2	118.5	168.6	32.3	0	0	0	0	111.6	N34	S32-N34 PolarHBondContact O-N 2.84Å; S32-N34 VanDerWaalsContact O-N 3.07Å
33	L	28.2	Very low	27.6	Very low	169 Å²	169	162 Å²	162	89%	0.885	83%	0.832	S	S	*	*			trans	-73.2	90.1	168	-83.1	153	0	0	0	108.7	R31	R31-L33 PolarHBondContact O-N 3.28Å
34	N	27.7	Very low	27.4	Very low	151 Å²	151	158.2 Å²	158.2	81%	0.807	83%	0.83	S	S	*	*			trans	-87.5	117.8	157.2	-85.3	-17.6	0	0	0	108.5	S32 F36	S32-N34 PolarHBondContact O-N 2.84Å; S32-N34 VanDerWaalsContact O-N 3.07Å; N34-F36 PolarHBondContact O-N 2.83Å
35	F	22	Very low	27.6	Very low	195 Å²	195	160 Å²	160	86%	0.855	84%	0.84	S	S	*	*			trans	-53.4	125.6	166.3	-101.4	-109.2	0	0	0	110.7
36	F	27	Very low	27.6	Very low	212 Å²	212	159.2 Å²	159.2	93%	0.93	85%	0.849	S	S	*	*			trans	162.4	134	137.4	-93.6	-70.8	0	0	0	108.8	N34	N34-F36 PolarHBondContact O-N 2.83Å
37	G	26.7	Very low	27.4	Very low	76 Å²	76	158.7 Å²	158.7	78%	0.784	85%	0.846	S	S	*	*			trans	116.8	85.5	156.4	0	0	0	0	0	116.1
38	L	22.5	Very low	27.5	Very low	178 Å²	178	160.2 Å²	160.2	93%	0.932	85%	0.854	S	S	*	*			trans	-51.3	123.5	157.5	-173.6	79.5	0	0	0	111.6
39	Q	26.8	Very low	27.5	Very low	191 Å²	191	164 Å²	164	89%	0.893	87%	0.866	S	S	*	*			trans	-155.4	126.6	144.4	-123	176.4	3.2	0	0	112
40	R	21.1	Very low	27.7	Very low	238 Å²	238	161.6 Å²	161.6	90%	0.898	86%	0.863	S	S	*	*			trans	-57.2	133.4	165.7	-82.7	172.3	163.4	174.5	-5.2	109.1
41	E	26.8	Very low	28	Very low	196 Å²	196	156.8 Å²	156.8	92%	0.916	85%	0.853	S	S	*	*			trans	-153.5	136.6	139.6	-115.1	168.1	-154.6	0	0	111.5
42	T	24.7	Very low	28.2	Very low	142 Å²	142	151.6 Å²	151.6	87%	0.871	85%	0.848	S	S	*	*			trans	-80.3	136.2	-174	43.7	0	0	0	0	111.1
43	G	27.4	Very low	28.4	Very low	78 Å²	78	154.9 Å²	154.9	80%	0.804	85%	0.851	S	S	*	*			trans	-160.3	96.2	172.1	0	0	0	0	0	112
44	C	24.8	Very low	28.5	Very low	126 Å²	126	156.3 Å²	156.3	85%	0.851	85%	0.85	S	S	*	*			trans	-56.7	127.6	173.8	-74.6	0	0	0	0	113
45	L	32.3	Very low	28.7	Very low	184 Å²	184	158.2 Å²	158.2	96%	0.963	85%	0.851	S	S	*	*			trans	-140.3	91.7	143.5	-77.1	177.8	0	0	0	107.7
46	A	28.9	Very low	29.2	Very low	99 Å²	99	154.4 Å²	154.4	82%	0.818	84%	0.84	S	S	*	*			trans	-86.5	127.9	171.7	0	0	0	0	0	109
47	S	30.7	Very low	29.7	Very low	113 Å²	113	150.5 Å²	150.5	79%	0.79	83%	0.828	S	S	*	*			trans	-133	147.5	160.2	-83.6	0	0	0	0	107.9	M49	S47-M49 PolarHBondContact O-N 3.47Å
48	P	32.1	Very low	30.1	Very low	123 Å²	123	150.8 Å²	150.8	80%	0.799	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-83.3	120.1	-144.9	30.8	-32.3	0	0	0	111.7	H50	P48-H50 PolarHBondContact O-N 2.99Å
49	M	32.2	Very low	30.7	Very low	184 Å²	184	146.3 Å²	146.3	91%	0.906	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-75	120.6	165.1	-73.3	-159.3	136.2	0	0	109.4	S47	S47-M49 PolarHBondContact O-N 3.47Å
50	H	32.5	Very low	31.1	Very low	176 Å²	176	144.9 Å²	144.9	82%	0.815	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-57.6	144.4	165.3	-86	-76.6	0	0	0	110.4	P48 V52	P48-H50 PolarHBondContact O-N 2.99Å; H50-V52 PolarHBondContact O-N 2.89Å
51	P	34.1	Very low	31.7	Very low	115 Å²	115	137 Å²	137	75%	0.747	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-67.1	117.7	-170	25	-32.2	0	0	0	111.4	H53	P51-H53 PolarHBondContact O-N 2.95Å
52	V	34.5	Very low	32.3	Very low	129 Å²	129	132.2 Å²	132.2	78%	0.782	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-65	120.6	166.1	179.1	0	0	0	0	107.5	H50 K54	H50-V52 PolarHBondContact O-N 2.89Å; V52-K54 PolarHBondContact O-N 3.06Å
53	H	33.2	Very low	32.7	Very low	177 Å²	177	133.2 Å²	133.2	82%	0.819	77%	0.77	S	S	*	*			trans	-51.6	111	170.7	-92	-91.3	0	0	0	108.9	P51 F55	P51-H53 PolarHBondContact O-N 2.95Å; H53-F55 PolarHBondContact O-N 2.95Å
54	K	31.5	Very low	33	Very low	200 Å²	200	131.2 Å²	131.2	87%	0.87	75%	0.749	S	S	*	*			trans	-60.2	111.2	167.4	-87.4	-178.9	174.5	178.3	0	107.1	V52 D56	V52-K54 PolarHBondContact O-N 3.06Å; K54-D56 PolarHBondContact O-N 2.95Å
55	F	32.1	Very low	33.5	Very low	191 Å²	191	130.8 Å²	130.8	84%	0.838	74%	0.737	S	S	*	*			trans	-59.8	117.2	168.4	-119.3	-95.5	0	0	0	108.1	H53 L57	H53-F55 PolarHBondContact O-N 2.95Å; F55-L57 PolarHBondContact O-N 2.86Å
56	D	32.1	Very low	33.6	Very low	114 Å²	114	126 Å²	126	61%	0.61	72%	0.723	S	S	*	*			trans	-76.4	107.1	178.7	-173.2	1.1	0	0	0	109.5	K54 S58	K54-D56 PolarHBondContact O-N 2.95Å; D56-S58 VanDerWaalsContact C-N 3.26Å; D56-S58 WeakPolarHBondContact OD1-CB 3.36Å; D56-S58 PolarHBondContact OD1-N 3.36Å; D56-S58 PolarHBondContact OD1-OG 3.16Å; D56-S58 PolarHBondContact OD2-OG 3.02Å
57	L	37.1	Very low	33.9	Very low	130 Å²	130	125.1 Å²	125.1	68%	0.681	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-83	1	176.5	-70.5	168.9	0	0	0	112.6	F55 A59 F60	F55-L57 PolarHBondContact O-N 2.86Å; L57-A59 PolarHBondContact O-N 2.83Å; L57-F60 HydrophobicContact CD2-CD2 4.37Å; L57-F60 PolarHBondContact O-N 3.18Å
58	S	34	Very low	34.2	Very low	82 Å²	82	123.8 Å²	123.8	57%	0.573	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-66	-22.3	179.2	70.6	0	0	0	0	113.4	D56 F60	D56-S58 VanDerWaalsContact C-N 3.26Å; D56-S58 WeakPolarHBondContact OD1-CB 3.36Å; D56-S58 PolarHBondContact OD1-N 3.36Å; D56-S58 PolarHBondContact OD1-OG 3.16Å; D56-S58 PolarHBondContact OD2-OG 3.02Å; S58-F60 PolarHBondContact O-N 3.1Å
59	A	35.5	Very low	34.3	Very low	85 Å²	85	123.8 Å²	123.8	70%	0.702	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-67.5	-11.3	171.7	0	0	0	0	0	113.4	L57	L57-A59 PolarHBondContact O-N 2.83Å
60	F	36.5	Very low	34.5	Very low	160 Å²	160	118.9 Å²	118.9	70%	0.702	68%	0.683	S	S	*	*	S	Bend	trans	-111.6	62.5	174.4	-61.5	-80.8	0	0	0	109.7	L57 S58	L57-F60 HydrophobicContact CD2-CD2 4.37Å; L57-F60 PolarHBondContact O-N 3.18Å; S58-F60 PolarHBondContact O-N 3.1Å
61	A	32.6	Very low	34.4	Very low	72 Å²	72	118 Å²	118	60%	0.595	68%	0.679	S	S	*	*			trans	-57.8	138.4	170	0	0	0	0	0	110	D63	A61-D63 PolarHBondContact O-N 2.85Å
62	P	39.9	Very low	34.3	Very low	96 Å²	96	116 Å²	116	62%	0.623	67%	0.672	S	S	*	*	S	Bend	trans	-84.7	25.4	-163.2	14.9	0.6	0	0	0	115.1	G64	P62-G64 PolarHBondContact O-N 3.07Å
63	D	34	Very low	34.2	Very low	164 Å²	164	119.1 Å²	119.1	88%	0.877	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	57.7	-179.8	-67.8	-23.9	0	0	0	111.8	A61	A61-D63 PolarHBondContact O-N 2.85Å
64	G	33.6	Very low	34.1	Very low	35 Å²	35	122.2 Å²	122.2	36%	0.361	68%	0.68	S	S	.	*	T	Hydrogen-bonded Turn	trans	-169.3	-22.7	174.6	0	0	0	0	0	115.4	P62 S68	P62-G64 PolarHBondContact O-N 3.07Å; G64-S68 PolarHBondContact O-N 2.98Å; G64-S68 PolarHBondContact O-OG 2.97Å
65	I	33.7	Very low	34.2	Very low	118 Å²	118	119.5 Å²	119.5	61%	0.605	67%	0.673	S	S	*	*	H	α-helix	trans	-74.5	-36.4	-176	-58.8	177.7	0	0	0	111.1	I69	I65-I69 HydrophobicContact CG2-CD1 4Å; I65-I69 WeakPolarHBondContact O-CG1 3.35Å; I65-I69 PolarHBondContact O-N 3.13Å
66	A	35	Very low	33.9	Very low	82 Å²	82	115 Å²	115	68%	0.678	66%	0.663	S	S	*	*	H	α-helix	trans	-70.2	-34.8	179.3	0	0	0	0	0	113.2	A70	A66-A70 PolarHBondContact O-N 3.09Å
67	S	35	Very low	34.1	Very low	82 Å²	82	119.9 Å²	119.9	57%	0.573	68%	0.679	S	S	*	*	H	α-helix	trans	-69.6	-38.9	177.1	173.1	0	0	0	0	112	I69 A70	S67-I69 PolarHBondContact O-N 3.24Å; S67-A70 PolarHBondContact O-N 3.44Å
68	S	36.3	Very low	33.9	Very low	85 Å²	85	120.1 Å²	120.1	59%	0.594	68%	0.681	S	S	*	*	H	α-helix	trans	-69.9	-31.1	-177.6	-53.6	0	0	0	0	113	G64	G64-S68 PolarHBondContact O-N 2.98Å; G64-S68 PolarHBondContact O-OG 2.97Å
69	I	34.8	Very low	34	Very low	122 Å²	122	119.7 Å²	119.7	63%	0.626	69%	0.689	S	S	*	*	H	α-helix	trans	-77.7	-31.2	177.5	-64.1	170.9	0	0	0	111.3	I65 S67 H71 A72	I65-I69 HydrophobicContact CG2-CD1 4Å; I65-I69 WeakPolarHBondContact O-CG1 3.35Å; I65-I69 PolarHBondContact O-N 3.13Å; S67-I69 PolarHBondContact O-N 3.24Å; I69-H71 VanDerWaalsContact C-N 3.26Å; I69-H71 PolarHBondContact O-N 2.96Å; I69-A72 PolarHBondContact O-N 3.32Å
70	A	35.7	Very low	33.6	Very low	82 Å²	82	120.8 Å²	120.8	68%	0.678	69%	0.692	S	S	*	*	H	α-helix	trans	-67.7	-23.9	179.3	0	0	0	0	0	113.6	A66 S67	A66-A70 PolarHBondContact O-N 3.09Å; S67-A70 PolarHBondContact O-N 3.44Å
71	H	32.1	Very low	33.5	Very low	158 Å²	158	121 Å²	121	73%	0.731	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-1.1	-179.9	-79	71.4	0	0	0	114.7	I69 K73	I69-H71 VanDerWaalsContact C-N 3.26Å; I69-H71 PolarHBondContact O-N 2.96Å; H71-K73 PolarHBondContact O-N 2.7Å
72	A	32	Very low	33.3	Very low	73 Å²	73	123 Å²	123	60%	0.603	71%	0.709	S	S	*	*			trans	-74.7	74.7	171.1	0	0	0	0	0	109.9	I69 R74	I69-A72 PolarHBondContact O-N 3.32Å; A72-R74 PolarHBondContact O-N 2.69Å; A72-R74 VanDerWaalsContact O-N 3.09Å
73	K	32.5	Very low	33.2	Very low	194 Å²	194	123.6 Å²	123.6	84%	0.843	72%	0.716	S	S	*	*			trans	-52.2	118.6	165.9	-85.1	-178.2	177.1	176.8	0	107.8	H71 I75	H71-K73 PolarHBondContact O-N 2.7Å; K73-I75 PolarHBondContact O-N 2.76Å; K73-I75 VanDerWaalsContact O-N 3.09Å
74	R	29.5	Very low	33.1	Very low	242 Å²	242	123.2 Å²	123.2	91%	0.913	71%	0.714	S	S	*	*			trans	-51.9	115.9	168	-73.2	-180	177.3	177.2	-1	107.9	A72 P76	A72-R74 PolarHBondContact O-N 2.69Å; A72-R74 VanDerWaalsContact O-N 3.09Å; R74-P76 VanDerWaalsContact O-CD 3.3Å; R74-P76 WeakPolarHBondContact O-CD 3.49Å
75	I	33.7	Very low	33.5	Very low	143 Å²	143	129.2 Å²	129.2	73%	0.733	74%	0.738	S	S	*	*			trans	-67.2	118	168.5	-59.2	175	0	0	0	106.1	K73	K73-I75 PolarHBondContact O-N 2.76Å; K73-I75 VanDerWaalsContact O-N 3.09Å
76	P	27.3	Very low	33.7	Very low	97 Å²	97	127.5 Å²	127.5	63%	0.63	75%	0.749	S	S	*	*			trans	-62.3	146.4	-179.7	-20	32.6	0	0	0	111	R74 D78	R74-P76 VanDerWaalsContact O-CD 3.3Å; R74-P76 WeakPolarHBondContact O-CD 3.49Å; P76-D78 PolarHBondContact O-N 3.31Å; P76-D78 VanDerWaalsContact O-N 3.07Å
77	K	36	Very low	34.1	Very low	215 Å²	215	128.7 Å²	128.7	94%	0.935	75%	0.752	S	S	*	*	S	Bend	trans	-64.8	-6.5	-179.5	-92.9	-175.3	172.8	-176.7	0	114.8
78	D	33.2	Very low	35.2	Very low	135 Å²	135	126.8 Å²	126.8	72%	0.722	75%	0.745	S	S	*	*	S	Bend	trans	-113.7	108.2	167.6	-60.3	-38.6	0	0	0	107	P76 S80	P76-D78 PolarHBondContact O-N 3.31Å; P76-D78 VanDerWaalsContact O-N 3.07Å; D78-S80 PolarHBondContact O-N 3.32Å
79	G	34.1	Very low	37.2	Very low	73 Å²	73	125.5 Å²	125.5	75%	0.753	74%	0.736	S	S	*	*			trans	-70.4	49.7	-173.9	0	0	0	0	0	114.5	L81	G79-L81 PolarHBondContact O-N 3.15Å
80	S	27.8	Very low	39.3	Very low	108 Å²	108	126.5 Å²	126.5	76%	0.755	74%	0.742	S	S	*	*			trans	-76.8	76	164.8	67.9	0	0	0	0	108.9	D78 S82	D78-S80 PolarHBondContact O-N 3.32Å; S80-S82 PolarHBondContact O-N 2.77Å
81	L	34.2	Very low	41.7	Very low	164 Å²	164	124.4 Å²	124.4	86%	0.859	72%	0.721	S	S	*	*			trans	-53.2	123.4	153.9	-82.9	150.4	0	0	0	106.7	G79 S83	G79-L81 PolarHBondContact O-N 3.15Å; L81-S83 PolarHBondContact O-N 3.04Å
82	S	29.6	Very low	44.2	Very low	114 Å²	114	118.6 Å²	118.6	80%	0.797	69%	0.694	S	S	*	*			trans	-48.1	113.5	-179	57.1	0	0	0	0	109.9	S80 N84	S80-S82 PolarHBondContact O-N 2.77Å; S82-N84 PolarHBondContact O-N 3.38Å
83	S	37.3	Very low	46.9	Very low	110 Å²	110	121.8 Å²	121.8	77%	0.769	70%	0.697	S	S	*	*	S	Bend	trans	-56.2	103.4	172	50.2	0	0	0	0	109.7	L81	L81-S83 PolarHBondContact O-N 3.04Å
84	N	32.5	Very low	49.8	Very low	156 Å²	156	116.4 Å²	116.4	83%	0.834	67%	0.673	S	S	*	*			trans	-153.3	9	155.3	-104.9	-3.2	0	0	0	115.6	S82	S82-N84 PolarHBondContact O-N 3.38Å
85	D	41.2	Very low	52.9	Low	161 Å²	161	104.9 Å²	104.9	86%	0.861	63%	0.63	S	S	*	*			trans	-100.1	69.6	164.6	-83.7	-16	0	0	0	110.4	S87	D85-S87 VanDerWaalsContact C-N 3.27Å; D85-S87 PolarHBondContact O-N 3.41Å
86	G	37.4	Very low	55.8	Low	81 Å²	81	104.5 Å²	104.5	84%	0.835	62%	0.619	S	S	*	*			trans	-84.4	13.4	175.3	0	0	0	0	0	114.7
87	S	44.8	Very low	59.1	Low	108 Å²	108	104.3 Å²	104.3	76%	0.755	62%	0.62	S	S	*	*			trans	-98.5	4.7	-172	69.4	0	0	0	0	115.3	D85	D85-S87 VanDerWaalsContact C-N 3.27Å; D85-S87 PolarHBondContact O-N 3.41Å
88	G	57	Low	62	Low	41 Å²	41	96.5 Å²	96.5	42%	0.423	59%	0.586	S	S	.	*	S	Bend	trans	-69.6	133.7	173.2	0	0	0	0	0	110.8
89	S	78.4	Confident	65.1	Low	58 Å²	58	91 Å²	91	41%	0.406	56%	0.557	S	S	.	*			trans	-51.4	144.7	171.4	170.3	0	0	0	0	110.7	T91 Q92 Q93	S89-T91 PolarHBondContact O-N 3.03Å; S89-T91 PolarHBondContact OG-N 3.43Å; S89-Q92 WeakPolarHBondContact O-CB 3.37Å; S89-Q92 PolarHBondContact O-N 3.04Å; S89-Q93 PolarHBondContact O-N 2.8Å
90	L	79.2	Confident	68.1	Low	144 Å²	144	92.3 Å²	92.3	75%	0.754	54%	0.543	S	S	*	.	H	α-helix	trans	-48.4	-33.9	176.7	-175.3	67.4	0	0	0	111.9	Q93 K94	L90-Q93 PolarHBondContact O-N 2.77Å; L90-K94 PolarHBondContact O-N 3.29Å
91	T	86	Confident	71.5	Confident	38 Å²	38	90.5 Å²	90.5	23%	0.233	53%	0.528	C	S	.	.	H	α-helix	trans	-67.2	-41.4	176.1	-51.1	0	0	0	0	113	S89 Q93 K94 F95 F448	S89-T91 PolarHBondContact O-N 3.03Å; S89-T91 PolarHBondContact OG-N 3.43Å; T91-Q93 VanDerWaalsContact C-N 3.34Å; T91-K94 WeakPolarHBondContact O-CB 3.31Å; T91-K94 PolarHBondContact O-N 3.09Å; T91-F95 HydrophobicContact CG2-CD1 4.39Å; T91-F95 HydrophobicContact CG2-CD2 4.24Å; T91-F95 HydrophobicContact CG2-CE1 3.93Å; T91-F95 HydrophobicContact CG2-CE2 3.76Å; T91-F95 HydrophobicContact CG2-CZ 3.59Å; T91-F95 VanDerWaalsContact O-CG 3.3Å; T91-F95 WeakPolarHBondContact O-CG 3.48Å; T91-F95 PolarHBondContact O-N 2.82Å; T91-F448 HydrophobicContact CG2-CE1 4.39Å; T91-F448 HydrophobicContact CG2-CZ 3.85Å
92	Q	85.3	Confident	74.5	Confident	36 Å²	36	87.1 Å²	87.1	17%	0.168	51%	0.507	C	S	.	.	H	α-helix	trans	-67	-37.8	177.4	-67.2	-172.3	2.7	0	0	111.4	S89 F95 R96 F133 L442	S89-Q92 WeakPolarHBondContact O-CB 3.37Å; S89-Q92 PolarHBondContact O-N 3.04Å; Q92-F95 PolarHBondContact O-N 2.83Å; Q92-R96 WeakPolarHBondContact O-CB 3.46Å; Q92-R96 WeakPolarHBondContact O-CG 3.3Å; Q92-R96 PolarHBondContact O-N 3.47Å; Q92-F133 HydrophobicContact CB-CE2 4.22Å; Q92-F133 HydrophobicContact CG-CE2 4.06Å; Q92-L442 PolarHBondContact NE2-O 3.45Å
93	Q	88.3	Confident	77.8	Confident	139 Å²	139	86.3 Å²	86.3	65%	0.65	49%	0.491	S	S	*	.	H	α-helix	trans	-64.2	-43.5	174.8	-169.3	178.5	11.5	0	0	111.3	S89 L90 T91 F95 R96 S97	S89-Q93 PolarHBondContact O-N 2.8Å; L90-Q93 PolarHBondContact O-N 2.77Å; T91-Q93 VanDerWaalsContact C-N 3.34Å; Q93-F95 VanDerWaalsContact C-N 3.35Å; Q93-F95 PolarHBondContact O-N 3.31Å; Q93-R96 PolarHBondContact O-N 3.04Å; Q93-S97 PolarHBondContact O-N 2.82Å
94	K	92.6	Very high	80.7	Confident	82 Å²	82	82.6 Å²	82.6	36%	0.357	46%	0.462	S	S	.	.	H	α-helix	trans	-55.8	-48.8	171	177.5	-178.5	176.3	-179.1	0	110.7	L90 T91 S97 F98 E126	L90-K94 PolarHBondContact O-N 3.29Å; T91-K94 WeakPolarHBondContact O-CB 3.31Å; T91-K94 PolarHBondContact O-N 3.09Å; K94-S97 WeakPolarHBondContact O-CB 3.3Å; K94-S97 PolarHBondContact O-N 2.84Å; K94-S97 PolarHBondContact O-OG 2.96Å; K94-F98 HydrophobicContact CG-CE2 4.14Å; K94-F98 WeakPolarHBondContact O-CD2 2.92Å; K94-E126 IonicContact NZ-OE1 2.65Å; K94-E126 PolarHBondContact NZ-OE1 3.09Å
95	F	95.8	Very high	83.8	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	45%	0.451	C	S	.	.	H	α-helix	trans	-64.1	-43.1	-179.9	-69.6	-6.8	0	0	0	113	T91 Q92 Q93 S97 F98 Q129 F130 F133	T91-F95 HydrophobicContact CG2-CD1 4.39Å; T91-F95 HydrophobicContact CG2-CD2 4.24Å; T91-F95 HydrophobicContact CG2-CE1 3.93Å; T91-F95 HydrophobicContact CG2-CE2 3.76Å; T91-F95 HydrophobicContact CG2-CZ 3.59Å; T91-F95 VanDerWaalsContact O-CG 3.3Å; T91-F95 WeakPolarHBondContact O-CG 3.48Å; T91-F95 PolarHBondContact O-N 2.82Å; Q92-F95 PolarHBondContact O-N 2.83Å; Q93-F95 VanDerWaalsContact C-N 3.35Å; Q93-F95 PolarHBondContact O-N 3.31Å; F95-S97 PolarHBondContact O-N 2.85Å; F95-F98 PolarHBondContact O-N 3.22Å; F95-F98 VanDerWaalsContact O-N 3.11Å; F95-Q129 HydrophobicContact CE2-CB 3.88Å; F95-Q129 HydrophobicContact CZ-CB 3.87Å; F95-F130 HydrophobicContact CB-CD2 3.74Å; F95-F130 HydrophobicContact CB-CE2 4.17Å; F95-F130 HydrophobicContact CD1-CB 4.14Å; F95-F130 AromaticContact CD1-CD2 3.81Å; F95-F130 HydrophobicContact CD1-CD2 3.81Å; F95-F130 HydrophobicContact CD1-CG 4.46Å; F95-F130 HydrophobicContact CD2-CB 4.34Å; F95-F130 HydrophobicContact CD2-CD2 4.28Å; F95-F130 HydrophobicContact CE1-CB 3.96Å; F95-F130 HydrophobicContact CE1-CD2 4.48Å; F95-F130 HydrophobicContact CE2-CB 4.18Å; F95-F130 HydrophobicContact CG-CB 4.33Å; F95-F130 AromaticContact CG-CD2 3.69Å; F95-F130 HydrophobicContact CG-CD2 3.69Å; F95-F130 HydrophobicContact CZ-CB 3.99Å; F95-F130 WeakPolarHBondContact O-CE2 3.41Å; F95-F133 HydrophobicContact CB-CD1 3.66Å; F95-F133 HydrophobicContact CB-CE1 3.76Å; F95-F133 HydrophobicContact CB-CG 4.23Å; F95-F133 HydrophobicContact CB-CZ 4.42Å; F95-F133 HydrophobicContact CD2-CB 3.86Å; F95-F133 HydrophobicContact CD2-CD1 4.13Å; F95-F133 HydrophobicContact CD2-CD2 4.41Å; F95-F133 AromaticContact CD2-CG 3.88Å; F95-F133 HydrophobicContact CD2-CG 3.88Å; F95-F133 HydrophobicContact CE2-CB 4.43Å; F95-F133 HydrophobicContact CG-CD1 4.38Å
96	R	94.5	Very high	86.5	Confident	135 Å²	135	77 Å²	77	51%	0.509	44%	0.437	S	S	.	.	H	α-helix	trans	-57.8	-31.2	175.6	-75	-126.7	177.3	103	0.8	112.9	Q92 Q93 F98 I99 F133	Q92-R96 WeakPolarHBondContact O-CB 3.46Å; Q92-R96 WeakPolarHBondContact O-CG 3.3Å; Q92-R96 PolarHBondContact O-N 3.47Å; Q93-R96 PolarHBondContact O-N 3.04Å; R96-F98 PolarHBondContact O-N 2.84Å; R96-I99 PolarHBondContact O-N 3.49Å; R96-I99 VanDerWaalsContact O-N 3.09Å; R96-F133 HydrophobicContact CG-CE1 4.09Å; R96-F133 HydrophobicContact CG-CZ 3.8Å
97	S	95.4	Very high	89.4	Confident	92 Å²	92	73.1 Å²	73.1	64%	0.643	40%	0.397	S	S	*	.	H	α-helix	trans	-64.5	-22	179	77.5	0	0	0	0	114.4	Q93 K94 F95	Q93-S97 PolarHBondContact O-N 2.82Å; K94-S97 WeakPolarHBondContact O-CB 3.3Å; K94-S97 PolarHBondContact O-N 2.84Å; K94-S97 PolarHBondContact O-OG 2.96Å; F95-S97 PolarHBondContact O-N 2.85Å
98	F	97.5	Very high	91.9	Very high	51 Å²	51	71.1 Å²	71.1	22%	0.224	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-15.2	175.2	-61.4	-71.8	0	0	0	113.5	K94 F95 R96 V114 H118 L119 L122 F130	K94-F98 HydrophobicContact CG-CE2 4.14Å; K94-F98 WeakPolarHBondContact O-CD2 2.92Å; F95-F98 PolarHBondContact O-N 3.22Å; F95-F98 VanDerWaalsContact O-N 3.11Å; R96-F98 PolarHBondContact O-N 2.84Å; F98-V114 HydrophobicContact CB-CG2 4.31Å; F98-H118 WeakPolarHBondContact CE1-O 3.38Å; F98-L119 HydrophobicContact CB-CD2 3.82Å; F98-L119 HydrophobicContact CD1-CD2 3.76Å; F98-L119 HydrophobicContact CD2-CD2 4.07Å; F98-L119 HydrophobicContact CE1-CD2 4.32Å; F98-L119 HydrophobicContact CG-CD2 3.62Å; F98-L122 HydrophobicContact CE2-CD1 4.29Å; F98-L122 HydrophobicContact CE2-CD2 4Å; F98-L122 HydrophobicContact CE2-CG 4.43Å; F98-L122 HydrophobicContact CZ-CD2 4.1Å; F98-L122 HydrophobicContact CZ-CG 4.41Å; F98-F130 HydrophobicContact CB-CE2 3.89Å; F98-F130 HydrophobicContact CB-CZ 4.01Å; F98-F130 HydrophobicContact CD2-CD2 4.35Å; F98-F130 HydrophobicContact CD2-CE2 4.16Å; F98-F130 HydrophobicContact CG-CE2 4.45Å
99	I	98.1	Very high	93.9	Very high	20 Å²	20	69.1 Å²	69.1	10%	0.103	36%	0.355	C	S	.	.			trans	-95.5	124.4	-172.7	-55.2	-178.7	0	0	0	109.6	R96 V112 F130 F133 F134 F137	R96-I99 PolarHBondContact O-N 3.49Å; R96-I99 VanDerWaalsContact O-N 3.09Å; I99-V112 HydrophobicContact CG2-CB 4.26Å; I99-F130 HydrophobicContact CD1-CE2 4.37Å; I99-F130 HydrophobicContact CG1-CE2 4.08Å; I99-F130 HydrophobicContact CG1-CZ 4.11Å; I99-F133 HydrophobicContact CD1-CD1 3.97Å; I99-F133 HydrophobicContact CD1-CE1 3.68Å; I99-F134 HydrophobicContact CD1-CD2 3.88Å; I99-F134 HydrophobicContact CG1-CD2 3.98Å; I99-F134 HydrophobicContact CG2-CD2 4.41Å; I99-F134 HydrophobicContact CG2-CE2 4.29Å; I99-F137 HydrophobicContact CD1-CD1 3.98Å; I99-F137 HydrophobicContact CD1-CG 4.4Å; I99-F137 HydrophobicContact CG2-CD1 4.02Å; I99-F137 HydrophobicContact CG2-CE1 3.85Å
100	Q	98	Very high	94.9	Very high	101 Å²	101	69 Å²	69	47%	0.472	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.6	172	-65.1	176.2	-9.6	0	0	109	V112 Q113	Q100-V112 CarbonylContact O-C 3.56Å; Q100-V112 WeakPolarHBondContact O-CA 3.26Å; Q100-Q113 HydrophobicContact CB-CG 4.06Å; Q100-Q113 PolarHBondContact N-O 2.82Å; Q100-Q113 PolarHBondContact O-N 3.48Å
101	T	98.2	Very high	95.8	Very high	70 Å²	70	62.3 Å²	62.3	43%	0.429	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119	171.3	-54.7	0	0	0	0	108.3	L110 V111 V112	T101-L110 HydrophobicContact CG2-CB 4.37Å; T101-L110 HydrophobicContact CG2-CD2 4.37Å; T101-V111 CarbonylContact C-O 3.59Å; T101-V111 WeakPolarHBondContact CA-O 3.37Å; T101-V112 HydrophobicContact CG2-CG1 4.09Å
102	E	97.7	Very high	96.4	Very high	93 Å²	93	60.5 Å²	60.5	44%	0.435	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.4	-178.8	-68.3	-176.5	-175.9	0	0	110.4	L110 V111 Q113	E102-L110 CarbonylContact O-C 3.56Å; E102-L110 WeakPolarHBondContact O-CA 3.47Å; E102-V111 PolarHBondContact N-O 2.97Å; E102-V111 PolarHBondContact O-N 3.36Å; E102-Q113 PolarHBondContact OE1-NE2 2.81Å
103	Q	98.5	Very high	97	Very high	96 Å²	96	59.8 Å²	59.8	45%	0.449	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.9	169.4	-170.2	169.9	30.8	0	0	109.4	Q108 L110	Q103-Q108 PolarHBondContact NE2-O 3.27Å; Q103-Q108 VanDerWaalsContact NE2-OE1 3.13Å; Q103-L110 HydrophobicContact CB-CD2 3.65Å; Q103-L110 HydrophobicContact CG-CD2 3.87Å
104	H	98.4	Very high	97.5	Very high	33 Å²	33	53.2 Å²	53.2	15%	0.153	27%	0.27	C	S	.	.			trans	-62.1	123.7	178.5	-177.7	-105.1	0	0	0	109.9	N106 G107 Q108 A109 Y400 A401 V402	H104-N106 PolarHBondContact O-N 3.5Å; H104-G107 WeakPolarHBondContact ND1-CA 3.45Å; H104-G107 PolarHBondContact ND1-N 3.13Å; H104-G107 PolarHBondContact O-N 3.47Å; H104-Q108 VanDerWaalsContact O-CA 3.22Å; H104-Q108 WeakPolarHBondContact O-CA 3.3Å; H104-Q108 PolarHBondContact O-N 3.01Å; H104-A109 PolarHBondContact N-O 2.81Å; H104-Y400 AromaticContact CE1-CE2 3.58Å; H104-Y400 AromaticContact ND1-CE2 3.88Å; H104-Y400 PolarHBondContact ND1-O 3Å; H104-A401 HydrophobicContact CB-CB 3.82Å; H104-V402 PolarHBondContact CD2-N 3.44Å; H104-V402 PolarHBondContact NE2-N 2.77Å
105	P	97.8	Very high	97.8	Very high	95 Å²	95	51.6 Å²	51.6	62%	0.617	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-39.8	-165.4	19.9	-32.6	0	0	0	113.9	Q108	P105-Q108 PolarHBondContact O-NE2 3.39Å
106	N	97.5	Very high	97.8	Very high	104 Å²	104	52.9 Å²	52.9	56%	0.556	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-39.4	-179.6	-66.9	-25.2	0	0	0	112.2	H104 R394	H104-N106 PolarHBondContact O-N 3.5Å; N106-R394 WeakPolarHBondContact O-CD 3.21Å; N106-R394 PolarHBondContact O-NE 3.01Å
107	G	98.5	Very high	97.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-12.7	-171.7	0	0	0	0	0	114.8	H104 A109 R399 Y400	H104-G107 WeakPolarHBondContact ND1-CA 3.45Å; H104-G107 PolarHBondContact ND1-N 3.13Å; H104-G107 PolarHBondContact O-N 3.47Å; G107-A109 PolarHBondContact O-N 2.92Å; G107-R399 CarbonylContact O-C 3.38Å; G107-R399 WeakPolarHBondContact O-CA 3.44Å; G107-R399 WeakPolarHBondContact O-CB 3.3Å; G107-Y400 CarbonylContact C-O 3.59Å; G107-Y400 WeakPolarHBondContact CA-O 3.49Å; G107-Y400 PolarHBondContact O-N 3.41Å
108	Q	98.4	Very high	97.8	Very high	65 Å²	65	50.9 Å²	50.9	30%	0.304	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	64	0.8	171.4	-56.6	-71.4	-48	0	0	117	Q103 H104 P105 R399	Q103-Q108 PolarHBondContact NE2-O 3.27Å; Q103-Q108 VanDerWaalsContact NE2-OE1 3.13Å; H104-Q108 VanDerWaalsContact O-CA 3.22Å; H104-Q108 WeakPolarHBondContact O-CA 3.3Å; H104-Q108 PolarHBondContact O-N 3.01Å; P105-Q108 PolarHBondContact O-NE2 3.39Å; Q108-R399 HydrophobicContact CB-CG 4.27Å
109	A	98.7	Very high	97.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.249	C	C	.	.			trans	-75.7	151.1	172.2	0	0	0	0	0	111.4	H104 G107 V149 H358 R399 Y400 A401	H104-A109 PolarHBondContact N-O 2.81Å; G107-A109 PolarHBondContact O-N 2.92Å; A109-V149 HydrophobicContact CB-CG1 3.68Å; A109-V149 HydrophobicContact CB-CG2 4.09Å; A109-H358 HydrophobicContact CB-CB 4.43Å; A109-R399 HydrophobicContact CB-CB 4.29Å; A109-Y400 WeakPolarHBondContact CB-O 3.48Å; A109-Y400 PolarHBondContact N-O 3.38Å; A109-A401 HydrophobicContact CB-CB 4.32Å
110	L	98.7	Very high	97.5	Very high	56 Å²	56	52.8 Å²	52.8	29%	0.293	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	137.8	-180	-59.8	177.8	0	0	0	111.4	T101 E102 Q103 H148 V149	T101-L110 HydrophobicContact CG2-CB 4.37Å; T101-L110 HydrophobicContact CG2-CD2 4.37Å; E102-L110 CarbonylContact O-C 3.56Å; E102-L110 WeakPolarHBondContact O-CA 3.47Å; Q103-L110 HydrophobicContact CB-CD2 3.65Å; Q103-L110 HydrophobicContact CG-CD2 3.87Å; L110-H148 CarbonylContact O-C 3.58Å; L110-H148 WeakPolarHBondContact O-CA 3.42Å; L110-V149 WeakPolarHBondContact O-CG2 3.38Å; L110-V149 PolarHBondContact O-N 3.17Å
111	V	98.7	Very high	97.2	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.018	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.3	176	179.8	0	0	0	0	107.5	T101 E102 V149 I152 A401 L403	T101-V111 CarbonylContact C-O 3.59Å; T101-V111 WeakPolarHBondContact CA-O 3.37Å; E102-V111 PolarHBondContact N-O 2.97Å; E102-V111 PolarHBondContact O-N 3.36Å; V111-V149 HydrophobicContact CG2-CG2 3.72Å; V111-I152 HydrophobicContact CG1-CD1 4.22Å; V111-A401 HydrophobicContact CG2-CB 3.59Å; V111-L403 HydrophobicContact CB-CD1 4.36Å; V111-L403 HydrophobicContact CB-CD2 4.45Å; V111-L403 HydrophobicContact CG1-CD1 3.75Å; V111-L403 HydrophobicContact CG1-CD2 4.22Å; V111-L403 HydrophobicContact CG2-CD1 3.67Å; V111-L403 HydrophobicContact CG2-CD2 3.93Å; V111-L403 HydrophobicContact CG2-CG 4.27Å
112	V	98.5	Very high	97.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138	175.3	-60.3	0	0	0	0	110	I99 Q100 T101 F134 F137 A138 H148 M150 G151 I152	I99-V112 HydrophobicContact CG2-CB 4.26Å; Q100-V112 CarbonylContact O-C 3.56Å; Q100-V112 WeakPolarHBondContact O-CA 3.26Å; T101-V112 HydrophobicContact CG2-CG1 4.09Å; V112-F134 HydrophobicContact CG2-CE2 4.31Å; V112-F134 HydrophobicContact CG2-CZ 4.25Å; V112-F137 HydrophobicContact CB-CE1 4.39Å; V112-F137 HydrophobicContact CG1-CD1 4.2Å; V112-F137 HydrophobicContact CG1-CE1 3.67Å; V112-A138 HydrophobicContact CG2-CB 3.57Å; V112-H148 HydrophobicContact CG1-CB 4.38Å; V112-H148 WeakPolarHBondContact CG1-CD2 3.35Å; V112-H148 WeakPolarHBondContact CG1-NE2 3.27Å; V112-M150 PolarHBondContact N-O 3.09Å; V112-G151 CarbonylContact O-C 3.54Å; V112-G151 VanDerWaalsContact O-CA 3.27Å; V112-G151 WeakPolarHBondContact O-CA 3.28Å; V112-I152 PolarHBondContact O-N 3.5Å
113	Q	98.5	Very high	97	Very high	21 Å²	21	47.1 Å²	47.1	10%	0.098	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	154.6	177.2	64	-172.7	-9.4	0	0	112.4	Q100 E102 I152	Q100-Q113 HydrophobicContact CB-CG 4.06Å; Q100-Q113 PolarHBondContact N-O 2.82Å; Q100-Q113 PolarHBondContact O-N 3.48Å; E102-Q113 PolarHBondContact OE1-NE2 2.81Å; Q113-I152 CarbonylContact C-O 3.44Å; Q113-I152 WeakPolarHBondContact CA-O 3.41Å; Q113-I152 HydrophobicContact CB-CB 4.16Å
114	V	98.6	Very high	96.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.5	170.7	59.1	0	0	0	0	108.3	F98 L119 F130 F134 I152 I153 R154	F98-V114 HydrophobicContact CB-CG2 4.31Å; V114-L119 HydrophobicContact CG2-CD1 3.95Å; V114-L119 HydrophobicContact CG2-CD2 3.95Å; V114-L119 HydrophobicContact CG2-CG 4.08Å; V114-F130 HydrophobicContact CB-CE1 4.48Å; V114-F130 HydrophobicContact CB-CZ 4.24Å; V114-F130 HydrophobicContact CG1-CE1 4.28Å; V114-F130 HydrophobicContact CG1-CZ 4.45Å; V114-F130 HydrophobicContact CG2-CE1 3.91Å; V114-F130 HydrophobicContact CG2-CZ 3.73Å; V114-F134 HydrophobicContact CB-CD2 4.16Å; V114-F134 HydrophobicContact CB-CE2 3.97Å; V114-F134 HydrophobicContact CG1-CD1 4.44Å; V114-F134 HydrophobicContact CG1-CD2 3.82Å; V114-F134 HydrophobicContact CG1-CE1 4.32Å; V114-F134 HydrophobicContact CG1-CE2 3.66Å; V114-F134 HydrophobicContact CG1-CG 4.21Å; V114-F134 HydrophobicContact CG1-CZ 3.93Å; V114-I152 PolarHBondContact N-O 3.47Å; V114-I153 HydrophobicContact CG1-CB 4.21Å; V114-I153 HydrophobicContact CG1-CG1 4.06Å; V114-I153 HydrophobicContact CG1-CG2 3.98Å; V114-R154 PolarHBondContact O-N 3.45Å
115	D	97.7	Very high	96.7	Very high	48 Å²	48	53.8 Å²	53.8	26%	0.257	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	117.7	167.5	-167.1	-17.3	0	0	0	109.7	D117 H118 N155	D115-D117 PolarHBondContact O-N 3Å; D115-D117 PolarHBondContact OD1-N 3.21Å; D115-H118 HydrophobicContact CB-CB 4.42Å; D115-H118 WeakPolarHBondContact O-CB 3.33Å; D115-H118 PolarHBondContact O-N 2.92Å; D115-H118 VanDerWaalsContact O-N 3.13Å; D115-N155 PolarHBondContact OD1-ND2 3.32Å
116	H	97	Very high	96.6	Very high	27 Å²	27	51.8 Å²	51.8	13%	0.125	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-58.4	-32.3	179.1	-175.6	60	0	0	0	112.3	H118 L119 I153 R154 N155 F242	H116-H118 PolarHBondContact O-N 3.33Å; H116-L119 WeakPolarHBondContact O-CB 3.42Å; H116-L119 PolarHBondContact O-N 3.29Å; H116-I153 HydrophobicContact CB-CG2 4.42Å; H116-R154 WeakPolarHBondContact CB-O 3.37Å; H116-R154 PolarHBondContact N-O 2.76Å; H116-N155 HydrophobicContact CB-CB 4.34Å; H116-F242 AromaticContact ND1-CE2 3.58Å
117	D	93.9	Very high	96.6	Very high	64 Å²	64	48 Å²	48	34%	0.342	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-68.2	-26.6	-178	-62.9	-24.5	0	0	0	111.3	D115 L119 S120 N155 R158	D115-D117 PolarHBondContact O-N 3Å; D115-D117 PolarHBondContact OD1-N 3.21Å; D117-L119 PolarHBondContact O-N 3.41Å; D117-S120 PolarHBondContact O-OG 2.71Å; D117-N155 PolarHBondContact OD2-ND2 3.35Å; D117-R158 IonicContact OD1-CZ 3.93Å; D117-R158 IonicContact OD1-NE 3.77Å; D117-R158 PolarHBondContact OD1-NE 3.32Å; D117-R158 VanDerWaalsContact OD1-NE 3.15Å; D117-R158 IonicContact OD1-NH2 3.79Å; D117-R158 IonicContact OD2-CZ 2.93Å; D117-R158 IonicContact OD2-NE 2.75Å; D117-R158 IonicContact OD2-NH2 3.79Å; D117-R158 PolarHBondContact OD2-NH2 3.46Å
118	H	95.9	Very high	96.5	Very high	120 Å²	120	50 Å²	50	56%	0.556	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-76.3	-7.3	173.7	-66.7	169.9	0	0	0	114.1	F98 D115 H116	F98-H118 WeakPolarHBondContact CE1-O 3.38Å; D115-H118 HydrophobicContact CB-CB 4.42Å; D115-H118 WeakPolarHBondContact O-CB 3.33Å; D115-H118 PolarHBondContact O-N 2.92Å; D115-H118 VanDerWaalsContact O-N 3.13Å; H116-H118 PolarHBondContact O-N 3.33Å
119	L	96.7	Very high	96.4	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-93.3	1.5	177.9	-55.4	175.8	0	0	0	112.9	F98 V114 H116 D117 G121 L122 L127 F130 F242	F98-L119 HydrophobicContact CB-CD2 3.82Å; F98-L119 HydrophobicContact CD1-CD2 3.76Å; F98-L119 HydrophobicContact CD2-CD2 4.07Å; F98-L119 HydrophobicContact CE1-CD2 4.32Å; F98-L119 HydrophobicContact CG-CD2 3.62Å; V114-L119 HydrophobicContact CG2-CD1 3.95Å; V114-L119 HydrophobicContact CG2-CD2 3.95Å; V114-L119 HydrophobicContact CG2-CG 4.08Å; H116-L119 WeakPolarHBondContact O-CB 3.42Å; H116-L119 PolarHBondContact O-N 3.29Å; D117-L119 PolarHBondContact O-N 3.41Å; L119-G121 PolarHBondContact O-N 3.47Å; L119-L122 HydrophobicContact CB-CD1 4.32Å; L119-L122 HydrophobicContact CD2-CD1 4.01Å; L119-L122 WeakPolarHBondContact O-CB 3.4Å; L119-L122 PolarHBondContact O-N 2.8Å; L119-L127 HydrophobicContact CB-CD1 4.07Å; L119-L127 HydrophobicContact CD1-CD1 3.86Å; L119-F130 HydrophobicContact CD1-CD1 3.71Å; L119-F130 HydrophobicContact CD1-CE1 3.46Å; L119-F130 VanDerWaalsContact CD1-CE1 3.46Å; L119-F130 HydrophobicContact CD1-CZ 4.4Å; L119-F130 HydrophobicContact CD2-CD1 4Å; L119-F130 HydrophobicContact CD2-CE1 3.71Å; L119-F130 HydrophobicContact CD2-CE2 4.39Å; L119-F130 HydrophobicContact CD2-CG 4.46Å; L119-F130 HydrophobicContact CD2-CZ 3.93Å; L119-F130 HydrophobicContact CG-CE1 4.25Å; L119-F242 HydrophobicContact CD1-CE2 4.29Å; L119-F242 HydrophobicContact CD1-CZ 3.59Å
120	S	91.3	Very high	96.3	Very high	108 Å²	108	48.4 Å²	48.4	76%	0.755	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.4	-178.3	49.5	0	0	0	0	114.7	D117	D117-S120 PolarHBondContact O-OG 2.71Å
121	G	92.1	Very high	96.3	Very high	70 Å²	70	45.8 Å²	45.8	72%	0.722	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-4.2	174.9	0	0	0	0	0	115.4	L119	L119-G121 PolarHBondContact O-N 3.47Å
122	L	95.7	Very high	96.2	Very high	17 Å²	17	49.7 Å²	49.7	9%	0.089	29%	0.287	C	S	.	.	S	Bend	trans	-88.5	138.6	176.8	-60.1	-177.2	0	0	0	110.6	F98 L119 E126 L127 F130	F98-L122 HydrophobicContact CE2-CD1 4.29Å; F98-L122 HydrophobicContact CE2-CD2 4Å; F98-L122 HydrophobicContact CE2-CG 4.43Å; F98-L122 HydrophobicContact CZ-CD2 4.1Å; F98-L122 HydrophobicContact CZ-CG 4.41Å; L119-L122 HydrophobicContact CB-CD1 4.32Å; L119-L122 HydrophobicContact CD2-CD1 4.01Å; L119-L122 WeakPolarHBondContact O-CB 3.4Å; L119-L122 PolarHBondContact O-N 2.8Å; L122-E126 HydrophobicContact CB-CB 4.02Å; L122-E126 HydrophobicContact CD2-CB 4.21Å; L122-L127 HydrophobicContact CB-CB 4.32Å; L122-F130 HydrophobicContact CD1-CB 3.94Å; L122-F130 HydrophobicContact CD1-CG 4.12Å
123	S	96	Very high	96.1	Very high	58 Å²	58	49.8 Å²	49.8	41%	0.406	29%	0.287	S	S	.	.			trans	-65	162.7	166.4	61.2	0	0	0	0	111.6	I125 E126 L127	S123-I125 PolarHBondContact O-N 3.03Å; S123-I125 VanDerWaalsContact O-N 3.16Å; S123-E126 PolarHBondContact N-OE2 2.71Å; S123-E126 PolarHBondContact O-N 2.94Å; S123-E126 VanDerWaalsContact O-N 3.1Å; S123-E126 VanDerWaalsContact OG-CG 3.3Å; S123-E126 WeakPolarHBondContact OG-CG 3.26Å; S123-E126 PolarHBondContact OG-N 2.87Å; S123-E126 PolarHBondContact OG-OE2 3.37Å; S123-L127 WeakPolarHBondContact O-CB 3.3Å; S123-L127 PolarHBondContact O-N 3.12Å
124	D	95.3	Very high	96.1	Very high	144 Å²	144	48.8 Å²	48.8	77%	0.77	28%	0.283	S	S	*	.	H	α-helix	trans	-55.1	-36.7	178.3	-69.3	-22.3	0	0	0	113	A128	D124-A128 WeakPolarHBondContact O-CB 3.16Å; D124-A128 PolarHBondContact O-N 2.98Å
125	I	95.7	Very high	96.1	Very high	125 Å²	125	48.9 Å²	48.9	64%	0.641	28%	0.283	S	S	*	.	H	α-helix	trans	-68.7	-48.8	177.8	-61.9	173.3	0	0	0	110.2	S123 L127 A128 Q129	S123-I125 PolarHBondContact O-N 3.03Å; S123-I125 VanDerWaalsContact O-N 3.16Å; I125-L127 VanDerWaalsContact C-N 3.32Å; I125-L127 PolarHBondContact O-N 3.26Å; I125-A128 PolarHBondContact O-N 2.92Å; I125-Q129 WeakPolarHBondContact O-CG 3.29Å; I125-Q129 PolarHBondContact O-N 3.04Å
126	E	96	Very high	96	Very high	53 Å²	53	46.6 Å²	46.6	25%	0.248	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-38.4	177.8	-71.9	172.3	116.3	0	0	111.8	K94 L122 S123 Q129 F130	K94-E126 IonicContact NZ-OE1 2.65Å; K94-E126 PolarHBondContact NZ-OE1 3.09Å; L122-E126 HydrophobicContact CB-CB 4.02Å; L122-E126 HydrophobicContact CD2-CB 4.21Å; S123-E126 PolarHBondContact N-OE2 2.71Å; S123-E126 PolarHBondContact O-N 2.94Å; S123-E126 VanDerWaalsContact O-N 3.1Å; S123-E126 VanDerWaalsContact OG-CG 3.3Å; S123-E126 WeakPolarHBondContact OG-CG 3.26Å; S123-E126 PolarHBondContact OG-N 2.87Å; S123-E126 PolarHBondContact OG-OE2 3.37Å; E126-Q129 PolarHBondContact O-N 2.87Å; E126-F130 VanDerWaalsContact O-CB 3.26Å; E126-F130 WeakPolarHBondContact O-CB 3.34Å; E126-F130 PolarHBondContact O-N 2.71Å
127	L	97	Very high	95.9	Very high	24 Å²	24	46.7 Å²	46.7	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-41.2	177	-179.5	61.5	0	0	0	111.2	L119 L122 S123 I125 Q129 F130 A131 P241 F242	L119-L127 HydrophobicContact CB-CD1 4.07Å; L119-L127 HydrophobicContact CD1-CD1 3.86Å; L122-L127 HydrophobicContact CB-CB 4.32Å; S123-L127 WeakPolarHBondContact O-CB 3.3Å; S123-L127 PolarHBondContact O-N 3.12Å; I125-L127 VanDerWaalsContact C-N 3.32Å; I125-L127 PolarHBondContact O-N 3.26Å; L127-Q129 VanDerWaalsContact C-N 3.35Å; L127-F130 PolarHBondContact O-N 3.14Å; L127-A131 VanDerWaalsContact O-CB 3.28Å; L127-A131 WeakPolarHBondContact O-CB 3.34Å; L127-A131 PolarHBondContact O-N 3.39Å; L127-P241 HydrophobicContact CD2-CG 3.83Å; L127-P241 HydrophobicContact CG-CB 4.35Å; L127-P241 HydrophobicContact CG-CG 3.86Å; L127-F242 HydrophobicContact CD1-CE2 4.14Å; L127-F242 HydrophobicContact CD1-CZ 4.09Å
128	A	96.4	Very high	96.1	Very high	41 Å²	41	43.6 Å²	43.6	34%	0.339	26%	0.255	S	S	.	.	H	α-helix	trans	-65.3	-37.6	175.2	0	0	0	0	0	112.5	D124 I125 K132	D124-A128 WeakPolarHBondContact O-CB 3.16Å; D124-A128 PolarHBondContact O-N 2.98Å; I125-A128 PolarHBondContact O-N 2.92Å; A128-K132 PolarHBondContact O-N 3.35Å
129	Q	95.9	Very high	96.1	Very high	33 Å²	33	38.1 Å²	38.1	15%	0.154	23%	0.229	C	C	.	.	H	α-helix	trans	-68.3	-45.9	174	-69.7	173.4	-8.6	0	0	111.5	F95 I125 E126 L127 A131 K132 F133 I446 F448	F95-Q129 HydrophobicContact CE2-CB 3.88Å; F95-Q129 HydrophobicContact CZ-CB 3.87Å; I125-Q129 WeakPolarHBondContact O-CG 3.29Å; I125-Q129 PolarHBondContact O-N 3.04Å; E126-Q129 PolarHBondContact O-N 2.87Å; L127-Q129 VanDerWaalsContact C-N 3.35Å; Q129-A131 VanDerWaalsContact C-N 3.32Å; Q129-A131 PolarHBondContact O-N 3.38Å; Q129-K132 PolarHBondContact O-N 3.49Å; Q129-F133 WeakPolarHBondContact O-CB 3.34Å; Q129-F133 PolarHBondContact O-N 3.23Å; Q129-I446 HydrophobicContact CG-CG2 4.18Å; Q129-F448 VanDerWaalsContact OE1-CE1 3.31Å
130	F	97.5	Very high	96.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.7	-44.4	175.8	174	-95	0	0	0	111.1	F95 F98 I99 V114 L119 L122 E126 L127 K132 F133 F134 F242	F95-F130 HydrophobicContact CB-CD2 3.74Å; F95-F130 HydrophobicContact CB-CE2 4.17Å; F95-F130 HydrophobicContact CD1-CB 4.14Å; F95-F130 AromaticContact CD1-CD2 3.81Å; F95-F130 HydrophobicContact CD1-CD2 3.81Å; F95-F130 HydrophobicContact CD1-CG 4.46Å; F95-F130 HydrophobicContact CD2-CB 4.34Å; F95-F130 HydrophobicContact CD2-CD2 4.28Å; F95-F130 HydrophobicContact CE1-CB 3.96Å; F95-F130 HydrophobicContact CE1-CD2 4.48Å; F95-F130 HydrophobicContact CE2-CB 4.18Å; F95-F130 HydrophobicContact CG-CB 4.33Å; F95-F130 AromaticContact CG-CD2 3.69Å; F95-F130 HydrophobicContact CG-CD2 3.69Å; F95-F130 HydrophobicContact CZ-CB 3.99Å; F95-F130 WeakPolarHBondContact O-CE2 3.41Å; F98-F130 HydrophobicContact CB-CE2 3.89Å; F98-F130 HydrophobicContact CB-CZ 4.01Å; F98-F130 HydrophobicContact CD2-CD2 4.35Å; F98-F130 HydrophobicContact CD2-CE2 4.16Å; F98-F130 HydrophobicContact CG-CE2 4.45Å; I99-F130 HydrophobicContact CD1-CE2 4.37Å; I99-F130 HydrophobicContact CG1-CE2 4.08Å; I99-F130 HydrophobicContact CG1-CZ 4.11Å; V114-F130 HydrophobicContact CB-CE1 4.48Å; V114-F130 HydrophobicContact CB-CZ 4.24Å; V114-F130 HydrophobicContact CG1-CE1 4.28Å; V114-F130 HydrophobicContact CG1-CZ 4.45Å; V114-F130 HydrophobicContact CG2-CE1 3.91Å; V114-F130 HydrophobicContact CG2-CZ 3.73Å; L119-F130 HydrophobicContact CD1-CD1 3.71Å; L119-F130 HydrophobicContact CD1-CE1 3.46Å; L119-F130 VanDerWaalsContact CD1-CE1 3.46Å; L119-F130 HydrophobicContact CD1-CZ 4.4Å; L119-F130 HydrophobicContact CD2-CD1 4Å; L119-F130 HydrophobicContact CD2-CE1 3.71Å; L119-F130 HydrophobicContact CD2-CE2 4.39Å; L119-F130 HydrophobicContact CD2-CG 4.46Å; L119-F130 HydrophobicContact CD2-CZ 3.93Å; L119-F130 HydrophobicContact CG-CE1 4.25Å; L122-F130 HydrophobicContact CD1-CB 3.94Å; L122-F130 HydrophobicContact CD1-CG 4.12Å; E126-F130 VanDerWaalsContact O-CB 3.26Å; E126-F130 WeakPolarHBondContact O-CB 3.34Å; E126-F130 PolarHBondContact O-N 2.71Å; L127-F130 PolarHBondContact O-N 3.14Å; F130-K132 PolarHBondContact O-N 2.96Å; F130-F133 CarbonylContact O-C 3.26Å; F130-F133 WeakPolarHBondContact O-CB 3.22Å; F130-F133 PolarHBondContact O-N 2.85Å; F130-F133 VanDerWaalsContact O-N 3.13Å; F130-F134 HydrophobicContact CE1-CB 4.12Å; F130-F134 HydrophobicContact CZ-CB 4.13Å; F130-F134 HydrophobicContact CZ-CD2 4.41Å; F130-F134 WeakPolarHBondContact O-CB 3.19Å; F130-F134 PolarHBondContact O-N 3.48Å; F130-F242 HydrophobicContact CD1-CE1 4.06Å; F130-F242 HydrophobicContact CD1-CZ 4.04Å; F130-F242 AromaticContact CE1-CE1 3.98Å; F130-F242 HydrophobicContact CE1-CE1 3.98Å; F130-F242 HydrophobicContact CE1-CZ 4.06Å
131	A	97.8	Very high	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-46.1	179.5	0	0	0	0	0	111.7	L127 Q129 F133 F134 L135 P241 F242	L127-A131 VanDerWaalsContact O-CB 3.28Å; L127-A131 WeakPolarHBondContact O-CB 3.34Å; L127-A131 PolarHBondContact O-N 3.39Å; Q129-A131 VanDerWaalsContact C-N 3.32Å; Q129-A131 PolarHBondContact O-N 3.38Å; A131-F133 PolarHBondContact O-N 2.84Å; A131-F134 PolarHBondContact O-N 3.1Å; A131-L135 WeakPolarHBondContact O-CB 3.46Å; A131-L135 WeakPolarHBondContact O-CD1 3.45Å; A131-L135 WeakPolarHBondContact O-CG 3.16Å; A131-L135 PolarHBondContact O-N 2.8Å; A131-P241 HydrophobicContact CB-CB 4.12Å; A131-P241 WeakPolarHBondContact CB-O 3.36Å; A131-F242 HydrophobicContact CB-CD1 3.54Å; A131-F242 HydrophobicContact CB-CE1 3.68Å; A131-F242 HydrophobicContact CB-CG 4.02Å; A131-F242 HydrophobicContact CB-CZ 4.23Å
132	K	96.9	Very high	96.3	Very high	85 Å²	85	36.4 Å²	36.4	37%	0.37	20%	0.197	S	C	.	.	H	α-helix	trans	-62.2	-42.8	173.9	-70.6	-179	-179.1	-178.3	0	112	A128 Q129 F130 L135 A136 P245	A128-K132 PolarHBondContact O-N 3.35Å; Q129-K132 PolarHBondContact O-N 3.49Å; F130-K132 PolarHBondContact O-N 2.96Å; K132-L135 PolarHBondContact O-N 3.41Å; K132-A136 VanDerWaalsContact O-CB 3.29Å; K132-A136 WeakPolarHBondContact O-CB 3.04Å; K132-A136 PolarHBondContact O-N 3.26Å; K132-P245 HydrophobicContact CG-CB 3.99Å; K132-P245 HydrophobicContact CG-CG 3.93Å
133	F	96.3	Very high	96.2	Very high	3 Å²	3	42.9 Å²	42.9	1%	0.013	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-48.1	177.4	177.1	-93.5	0	0	0	111.9	Q92 F95 R96 I99 Q129 F130 A131 A136 F137	Q92-F133 HydrophobicContact CB-CE2 4.22Å; Q92-F133 HydrophobicContact CG-CE2 4.06Å; F95-F133 HydrophobicContact CB-CD1 3.66Å; F95-F133 HydrophobicContact CB-CE1 3.76Å; F95-F133 HydrophobicContact CB-CG 4.23Å; F95-F133 HydrophobicContact CB-CZ 4.42Å; F95-F133 HydrophobicContact CD2-CB 3.86Å; F95-F133 HydrophobicContact CD2-CD1 4.13Å; F95-F133 HydrophobicContact CD2-CD2 4.41Å; F95-F133 AromaticContact CD2-CG 3.88Å; F95-F133 HydrophobicContact CD2-CG 3.88Å; F95-F133 HydrophobicContact CE2-CB 4.43Å; F95-F133 HydrophobicContact CG-CD1 4.38Å; R96-F133 HydrophobicContact CG-CE1 4.09Å; R96-F133 HydrophobicContact CG-CZ 3.8Å; I99-F133 HydrophobicContact CD1-CD1 3.97Å; I99-F133 HydrophobicContact CD1-CE1 3.68Å; Q129-F133 WeakPolarHBondContact O-CB 3.34Å; Q129-F133 PolarHBondContact O-N 3.23Å; F130-F133 CarbonylContact O-C 3.26Å; F130-F133 WeakPolarHBondContact O-CB 3.22Å; F130-F133 PolarHBondContact O-N 2.85Å; F130-F133 VanDerWaalsContact O-N 3.13Å; A131-F133 PolarHBondContact O-N 2.84Å; F133-A136 PolarHBondContact O-N 2.92Å; F133-F137 VanDerWaalsContact O-CB 3.26Å; F133-F137 WeakPolarHBondContact O-CB 3.21Å; F133-F137 PolarHBondContact O-N 3.3Å
134	F	98.1	Very high	96	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.7	-47.3	177.8	176.3	-92.7	0	0	0	111.6	I99 V112 V114 F130 A131 A136 F137 A138 I153	I99-F134 HydrophobicContact CD1-CD2 3.88Å; I99-F134 HydrophobicContact CG1-CD2 3.98Å; I99-F134 HydrophobicContact CG2-CD2 4.41Å; I99-F134 HydrophobicContact CG2-CE2 4.29Å; V112-F134 HydrophobicContact CG2-CE2 4.31Å; V112-F134 HydrophobicContact CG2-CZ 4.25Å; V114-F134 HydrophobicContact CB-CD2 4.16Å; V114-F134 HydrophobicContact CB-CE2 3.97Å; V114-F134 HydrophobicContact CG1-CD1 4.44Å; V114-F134 HydrophobicContact CG1-CD2 3.82Å; V114-F134 HydrophobicContact CG1-CE1 4.32Å; V114-F134 HydrophobicContact CG1-CE2 3.66Å; V114-F134 HydrophobicContact CG1-CG 4.21Å; V114-F134 HydrophobicContact CG1-CZ 3.93Å; F130-F134 HydrophobicContact CE1-CB 4.12Å; F130-F134 HydrophobicContact CZ-CB 4.13Å; F130-F134 HydrophobicContact CZ-CD2 4.41Å; F130-F134 WeakPolarHBondContact O-CB 3.19Å; F130-F134 PolarHBondContact O-N 3.48Å; A131-F134 PolarHBondContact O-N 3.1Å; F134-A136 VanDerWaalsContact C-N 3.35Å; F134-A136 PolarHBondContact O-N 2.73Å; F134-F137 PolarHBondContact O-N 3.15Å; F134-A138 HydrophobicContact CE1-CB 4.44Å; F134-A138 WeakPolarHBondContact O-CB 3.37Å; F134-A138 PolarHBondContact O-N 2.84Å; F134-I153 HydrophobicContact CD1-CD1 4.02Å; F134-I153 HydrophobicContact CD1-CG1 3.86Å; F134-I153 HydrophobicContact CE1-CD1 3.51Å; F134-I153 HydrophobicContact CE1-CG1 3.53Å; F134-I153 HydrophobicContact CZ-CD1 4.47Å; F134-I153 HydrophobicContact CZ-CG1 4.26Å
135	L	98.2	Very high	96	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-44.3	178.4	-68.1	163.6	0	0	0	111.2	A131 K132 F137 M139 F242 P245 I246 L252 V412	A131-L135 WeakPolarHBondContact O-CB 3.46Å; A131-L135 WeakPolarHBondContact O-CD1 3.45Å; A131-L135 WeakPolarHBondContact O-CG 3.16Å; A131-L135 PolarHBondContact O-N 2.8Å; K132-L135 PolarHBondContact O-N 3.41Å; L135-F137 VanDerWaalsContact C-N 3.33Å; L135-F137 PolarHBondContact O-N 2.95Å; L135-M139 WeakPolarHBondContact O-CB 3.13Å; L135-M139 VanDerWaalsContact O-CG 3.24Å; L135-M139 WeakPolarHBondContact O-CG 3.18Å; L135-M139 PolarHBondContact O-N 3.17Å; L135-M139 VanDerWaalsContact O-N 3.1Å; L135-F242 WeakPolarHBondContact CD1-O 3.43Å; L135-P245 HydrophobicContact CD1-CB 4.27Å; L135-P245 HydrophobicContact CD1-CG 4.43Å; L135-I246 HydrophobicContact CD1-CB 4.23Å; L135-I246 HydrophobicContact CD1-CG2 4.34Å; L135-I246 HydrophobicContact CD2-CG2 4.29Å; L135-L252 HydrophobicContact CB-CD1 3.76Å; L135-L252 HydrophobicContact CD1-CD1 3.85Å; L135-L252 HydrophobicContact CG-CD1 4.48Å; L135-V412 HydrophobicContact CD2-CG1 3.67Å
136	A	95.9	Very high	96	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-40.4	175.7	0	0	0	0	0	112	K132 F133 F134 M139 S140 L440 L442	K132-A136 VanDerWaalsContact O-CB 3.29Å; K132-A136 WeakPolarHBondContact O-CB 3.04Å; K132-A136 PolarHBondContact O-N 3.26Å; F133-A136 PolarHBondContact O-N 2.92Å; F134-A136 VanDerWaalsContact C-N 3.35Å; F134-A136 PolarHBondContact O-N 2.73Å; A136-M139 CarbonylContact O-C 3.53Å; A136-M139 PolarHBondContact O-N 3.27Å; A136-S140 WeakPolarHBondContact O-CA 3.39Å; A136-S140 PolarHBondContact O-N 2.92Å; A136-L440 HydrophobicContact CB-CB 4Å; A136-L442 HydrophobicContact CB-CD2 3.74Å; A136-L442 HydrophobicContact CB-CG 4.1Å
137	F	96.3	Very high	96.1	Very high	29 Å²	29	35.3 Å²	35.3	13%	0.127	19%	0.187	C	C	.	.	H	α-helix	trans	-68	-45.4	179	-178.4	-105.1	0	0	0	112.1	I99 V112 F133 F134 L135 M139 S140 H148 L442	I99-F137 HydrophobicContact CD1-CD1 3.98Å; I99-F137 HydrophobicContact CD1-CG 4.4Å; I99-F137 HydrophobicContact CG2-CD1 4.02Å; I99-F137 HydrophobicContact CG2-CE1 3.85Å; V112-F137 HydrophobicContact CB-CE1 4.39Å; V112-F137 HydrophobicContact CG1-CD1 4.2Å; V112-F137 HydrophobicContact CG1-CE1 3.67Å; F133-F137 VanDerWaalsContact O-CB 3.26Å; F133-F137 WeakPolarHBondContact O-CB 3.21Å; F133-F137 PolarHBondContact O-N 3.3Å; F134-F137 PolarHBondContact O-N 3.15Å; L135-F137 VanDerWaalsContact C-N 3.33Å; L135-F137 PolarHBondContact O-N 2.95Å; F137-M139 VanDerWaalsContact C-N 3.26Å; F137-M139 PolarHBondContact O-N 3.38Å; F137-S140 VanDerWaalsContact O-CB 3.27Å; F137-S140 WeakPolarHBondContact O-CB 3.4Å; F137-S140 PolarHBondContact O-N 3.02Å; F137-S140 VanDerWaalsContact O-N 3.14Å; F137-S140 PolarHBondContact O-OG 3Å; F137-H148 AromaticContact CE1-CE1 3.88Å; F137-H148 AromaticContact CZ-CE1 3.91Å; F137-H148 PolarHBondContact O-CE1 3.49Å; F137-H148 PolarHBondContact O-ND1 3.04Å; F137-L442 HydrophobicContact CB-CD2 4.34Å
138	A	97.6	Very high	96.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-37.2	176.4	0	0	0	0	0	112.4	V112 F134 H148 V412	V112-A138 HydrophobicContact CG2-CB 3.57Å; F134-A138 HydrophobicContact CE1-CB 4.44Å; F134-A138 WeakPolarHBondContact O-CB 3.37Å; F134-A138 PolarHBondContact O-N 2.84Å; A138-H148 PolarHBondContact O-ND1 3.16Å; A138-V412 HydrophobicContact CB-CG2 3.83Å
139	M	96.3	Very high	96.3	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.02	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	8.3	178.9	-56.4	-60.1	-140.5	0	0	113.8	L135 A136 F137 A331 V412 L413 P414 L436 L440	L135-M139 WeakPolarHBondContact O-CB 3.13Å; L135-M139 VanDerWaalsContact O-CG 3.24Å; L135-M139 WeakPolarHBondContact O-CG 3.18Å; L135-M139 PolarHBondContact O-N 3.17Å; L135-M139 VanDerWaalsContact O-N 3.1Å; A136-M139 CarbonylContact O-C 3.53Å; A136-M139 PolarHBondContact O-N 3.27Å; F137-M139 VanDerWaalsContact C-N 3.26Å; F137-M139 PolarHBondContact O-N 3.38Å; M139-A331 HydrophobicContact CE-CB 3.3Å; M139-A331 HydrophobicContact SD-CB 4.37Å; M139-V412 HydrophobicContact CE-CB 3.69Å; M139-V412 HydrophobicContact CE-CG1 4.48Å; M139-V412 HydrophobicContact CE-CG2 4.18Å; M139-V412 HydrophobicContact SD-CB 4.3Å; M139-V412 HydrophobicContact SD-CG2 4.16Å; M139-L413 WeakPolarHBondContact CE-O 3.22Å; M139-P414 WeakPolarHBondContact SD-CA 3.44Å; M139-P414 HydrophobicContact SD-CB 3.82Å; M139-P414 HydrophobicContact SD-CG 3.55Å; M139-P414 VanDerWaalsContact SD-CG 3.55Å; M139-L436 HydrophobicContact CB-CD1 3.88Å; M139-L436 HydrophobicContact CG-CD1 4.15Å; M139-L440 HydrophobicContact CB-CD1 3.83Å
140	S	95.2	Very high	96.5	Very high	10 Å²	10	31.1 Å²	31.1	7%	0.07	16%	0.159	C	C	.	.			trans	-65	145.3	-178.4	65.1	0	0	0	0	111.5	A136 F137 P146 N147	A136-S140 WeakPolarHBondContact O-CA 3.39Å; A136-S140 PolarHBondContact O-N 2.92Å; F137-S140 VanDerWaalsContact O-CB 3.27Å; F137-S140 WeakPolarHBondContact O-CB 3.4Å; F137-S140 PolarHBondContact O-N 3.02Å; F137-S140 VanDerWaalsContact O-N 3.14Å; F137-S140 PolarHBondContact O-OG 3Å; S140-P146 WeakPolarHBondContact O-CA 3.45Å; S140-N147 PolarHBondContact O-N 2.83Å; S140-N147 PolarHBondContact O-ND2 3.37Å; S140-N147 PolarHBondContact OG-ND2 2.67Å; S140-N147 VanDerWaalsContact OG-ND2 3.12Å
141	E	94.8	Very high	96.5	Very high	58 Å²	58	31.1 Å²	31.1	27%	0.271	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.1	-176.3	-52.8	-169.4	159.1	0	0	111.3	E144 V145 P146 R415	E141-E144 WeakPolarHBondContact OE2-CA 3.33Å; E141-V145 CarbonylContact C-O 3.48Å; E141-V145 VanDerWaalsContact CA-O 3.23Å; E141-V145 WeakPolarHBondContact CA-O 3.27Å; E141-P146 HydrophobicContact CG-CG 4.03Å; E141-R415 IonicContact OE1-CZ 3.32Å; E141-R415 IonicContact OE1-NE 3.93Å; E141-R415 PolarHBondContact OE1-NE 3.17Å; E141-R415 IonicContact OE1-NH2 3.68Å; E141-R415 PolarHBondContact OE1-NH2 3.14Å; E141-R415 IonicContact OE2-CZ 2.69Å; E141-R415 IonicContact OE2-NE 2.69Å; E141-R415 IonicContact OE2-NH2 3.1Å; E141-R415 PolarHBondContact OE2-NH2 3.44Å
142	T	94.3	Very high	96.6	Very high	79 Å²	79	31.1 Å²	31.1	49%	0.485	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.5	166.1	-54	0	0	0	0	107.7	E144 V145 N147	T142-E144 VanDerWaalsContact C-N 3.33Å; T142-E144 PolarHBondContact O-N 3.28Å; T142-V145 PolarHBondContact N-O 3.23Å; T142-V145 WeakPolarHBondContact O-CB 3.45Å; T142-V145 PolarHBondContact O-N 3.22Å; T142-V145 VanDerWaalsContact O-N 3.13Å; T142-N147 WeakPolarHBondContact CB-OD1 3.23Å; T142-N147 PolarHBondContact N-OD1 2.97Å; T142-N147 PolarHBondContact OG1-OD1 3.02Å
143	N	92.8	Very high	96.6	Very high	152 Å²	152	27 Å²	27	81%	0.813	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	47.9	-177.3	-55.4	-38	0	0	0	113	V145	N143-V145 PolarHBondContact O-N 3.21Å
144	E	91	Very high	96.8	Very high	137 Å²	137	28.8 Å²	28.8	64%	0.64	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	19.5	-179.4	-49.9	-173	159.4	0	0	115.7	E141 T142 K416	E141-E144 WeakPolarHBondContact OE2-CA 3.33Å; T142-E144 VanDerWaalsContact C-N 3.33Å; T142-E144 PolarHBondContact O-N 3.28Å; E144-K416 PolarHBondContact O-NZ 3.24Å
145	V	95.6	Very high	96.7	Very high	40 Å²	40	29.5 Å²	29.5	24%	0.242	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118	174.1	179.9	0	0	0	0	109.1	E141 T142 N143 N147 A359 A360	E141-V145 CarbonylContact C-O 3.48Å; E141-V145 VanDerWaalsContact CA-O 3.23Å; E141-V145 WeakPolarHBondContact CA-O 3.27Å; T142-V145 PolarHBondContact N-O 3.23Å; T142-V145 WeakPolarHBondContact O-CB 3.45Å; T142-V145 PolarHBondContact O-N 3.22Å; T142-V145 VanDerWaalsContact O-N 3.13Å; N143-V145 PolarHBondContact O-N 3.21Å; V145-N147 PolarHBondContact O-N 3.05Å; V145-A359 HydrophobicContact CG1-CB 4.01Å; V145-A360 HydrophobicContact CG1-CB 3.67Å
146	P	97.1	Very high	96.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	132.1	170	-32	36.8	0	0	0	113.5	S140 E141 H148 A359 P414 R415	S140-P146 WeakPolarHBondContact O-CA 3.45Å; E141-P146 HydrophobicContact CG-CG 4.03Å; P146-H148 VanDerWaalsContact C-N 3.34Å; P146-A359 HydrophobicContact CB-CB 4.12Å; P146-A359 HydrophobicContact CG-CB 4.04Å; P146-P414 HydrophobicContact CB-CB 3.52Å; P146-P414 HydrophobicContact CB-CG 4.15Å; P146-P414 HydrophobicContact CG-CB 3.65Å; P146-R415 HydrophobicContact CG-CG 4.33Å; P146-R415 WeakPolarHBondContact CG-O 3.47Å
147	N	97.9	Very high	96.8	Very high	45 Å²	45	29.8 Å²	29.8	24%	0.241	16%	0.155	C	C	.	.	S	Bend	trans	-76.1	-25.7	-178.4	-63.2	-41.4	0	0	0	112.6	S140 T142 V145	S140-N147 PolarHBondContact O-N 2.83Å; S140-N147 PolarHBondContact O-ND2 3.37Å; S140-N147 PolarHBondContact OG-ND2 2.67Å; S140-N147 VanDerWaalsContact OG-ND2 3.12Å; T142-N147 WeakPolarHBondContact CB-OD1 3.23Å; T142-N147 PolarHBondContact N-OD1 2.97Å; T142-N147 PolarHBondContact OG1-OD1 3.02Å; V145-N147 PolarHBondContact O-N 3.05Å
148	H	98.5	Very high	96.7	Very high	9 Å²	9	33.7 Å²	33.7	4%	0.042	17%	0.169	C	C	.	.			trans	-122.2	154	-176	-46.4	107.1	0	0	0	109.8	L110 V112 F137 A138 P146 P414	L110-H148 CarbonylContact O-C 3.58Å; L110-H148 WeakPolarHBondContact O-CA 3.42Å; V112-H148 HydrophobicContact CG1-CB 4.38Å; V112-H148 WeakPolarHBondContact CG1-CD2 3.35Å; V112-H148 WeakPolarHBondContact CG1-NE2 3.27Å; F137-H148 AromaticContact CE1-CE1 3.88Å; F137-H148 AromaticContact CZ-CE1 3.91Å; F137-H148 PolarHBondContact O-CE1 3.49Å; F137-H148 PolarHBondContact O-ND1 3.04Å; A138-H148 PolarHBondContact O-ND1 3.16Å; P146-H148 VanDerWaalsContact C-N 3.34Å; H148-P414 WeakPolarHBondContact O-CG 3.27Å
149	V	98.7	Very high	96.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-91.2	-24.2	175.7	-65.4	0	0	0	0	113.2	A109 L110 V111 C356 H358 A401 V417	A109-V149 HydrophobicContact CB-CG1 3.68Å; A109-V149 HydrophobicContact CB-CG2 4.09Å; L110-V149 WeakPolarHBondContact O-CG2 3.38Å; L110-V149 PolarHBondContact O-N 3.17Å; V111-V149 HydrophobicContact CG2-CG2 3.72Å; V149-C356 HydrophobicContact CB-CB 3.65Å; V149-C356 HydrophobicContact CG1-CB 4.46Å; V149-C356 HydrophobicContact CG2-CB 3.78Å; V149-H358 HydrophobicContact CG1-CB 4.18Å; V149-A401 HydrophobicContact CG2-CB 3.79Å; V149-V417 HydrophobicContact CB-CG1 4.43Å
150	M	98.7	Very high	96.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	141.1	179.4	-174.9	174.5	-89.3	0	0	110.2	V112 I152 V354 L403 L405 Y411 V412 L413	V112-M150 PolarHBondContact N-O 3.09Å; M150-I152 HydrophobicContact CG-CD1 4.37Å; M150-I152 HydrophobicContact CG-CG1 3.81Å; M150-I152 HydrophobicContact SD-CD1 3.92Å; M150-I152 HydrophobicContact SD-CG1 3.83Å; M150-V354 HydrophobicContact CE-CG1 4.07Å; M150-V354 HydrophobicContact CE-CG2 4.02Å; M150-V354 HydrophobicContact SD-CG1 4.17Å; M150-L403 HydrophobicContact CB-CD1 4.28Å; M150-L403 HydrophobicContact SD-CD1 4.01Å; M150-L405 HydrophobicContact SD-CD2 4.01Å; M150-Y411 HydrophobicContact CE-CD2 3.69Å; M150-Y411 HydrophobicContact CE-CE2 4.14Å; M150-Y411 HydrophobicContact CE-CG 4.12Å; M150-Y411 HydrophobicContact SD-CD2 4.46Å; M150-Y411 HydrophobicContact SD-CG 4.39Å; M150-V412 WeakPolarHBondContact CA-O 3.24Å; M150-L413 HydrophobicContact CB-CD2 4.36Å; M150-L413 HydrophobicContact CE-CD1 4.39Å; M150-L413 HydrophobicContact CE-CD2 3.4Å; M150-L413 HydrophobicContact CE-CG 3.88Å; M150-L413 HydrophobicContact CG-CD2 4.37Å
151	G	98.7	Very high	96.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.1	164.4	0	0	0	0	0	110.8	V112 Y411 V412	V112-G151 CarbonylContact O-C 3.54Å; V112-G151 VanDerWaalsContact O-CA 3.27Å; V112-G151 WeakPolarHBondContact O-CA 3.28Å; G151-Y411 CarbonylContact O-C 3.22Å; G151-Y411 VanDerWaalsContact O-CA 3.23Å; G151-Y411 WeakPolarHBondContact O-CA 3.42Å; G151-V412 PolarHBondContact N-O 3.3Å; G151-V412 PolarHBondContact O-N 3.24Å
152	I	98.9	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.5	-178.7	-48.8	170.8	0	0	0	110.8	V111 V112 Q113 V114 M150 R154 L403 L405 D409	V111-I152 HydrophobicContact CG1-CD1 4.22Å; V112-I152 PolarHBondContact O-N 3.5Å; Q113-I152 CarbonylContact C-O 3.44Å; Q113-I152 WeakPolarHBondContact CA-O 3.41Å; Q113-I152 HydrophobicContact CB-CB 4.16Å; V114-I152 PolarHBondContact N-O 3.47Å; M150-I152 HydrophobicContact CG-CD1 4.37Å; M150-I152 HydrophobicContact CG-CG1 3.81Å; M150-I152 HydrophobicContact SD-CD1 3.92Å; M150-I152 HydrophobicContact SD-CG1 3.83Å; I152-R154 HydrophobicContact CG2-CG 4.37Å; I152-L403 HydrophobicContact CD1-CD1 4.19Å; I152-L405 HydrophobicContact CD1-CD2 3.69Å; I152-L405 HydrophobicContact CG1-CD2 4.2Å; I152-L405 HydrophobicContact CG2-CD2 4.42Å; I152-D409 HydrophobicContact CG2-CB 4.29Å
153	I	98.7	Very high	96.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	94.5	169.6	-51.4	88.8	0	0	0	107.1	V114 H116 F134 N155 G156 F242 I410	V114-I153 HydrophobicContact CG1-CB 4.21Å; V114-I153 HydrophobicContact CG1-CG1 4.06Å; V114-I153 HydrophobicContact CG1-CG2 3.98Å; H116-I153 HydrophobicContact CB-CG2 4.42Å; F134-I153 HydrophobicContact CD1-CD1 4.02Å; F134-I153 HydrophobicContact CD1-CG1 3.86Å; F134-I153 HydrophobicContact CE1-CD1 3.51Å; F134-I153 HydrophobicContact CE1-CG1 3.53Å; F134-I153 HydrophobicContact CZ-CD1 4.47Å; F134-I153 HydrophobicContact CZ-CG1 4.26Å; I153-N155 PolarHBondContact O-N 3.02Å; I153-G156 PolarHBondContact O-N 3.43Å; I153-G156 VanDerWaalsContact O-N 3.14Å; I153-F242 HydrophobicContact CD1-CD1 4.38Å; I153-F242 HydrophobicContact CG1-CD1 3.71Å; I153-F242 HydrophobicContact CG1-CE1 4.04Å; I153-F242 HydrophobicContact CG1-CG 4.13Å; I153-F242 HydrophobicContact CG2-CD1 4.17Å; I153-F242 HydrophobicContact CG2-CD2 4.01Å; I153-F242 HydrophobicContact CG2-CE1 4.07Å; I153-F242 HydrophobicContact CG2-CE2 3.94Å; I153-F242 HydrophobicContact CG2-CG 4.13Å; I153-F242 HydrophobicContact CG2-CZ 3.97Å; I153-I410 HydrophobicContact CB-CB 4.23Å; I153-I410 HydrophobicContact CD1-CB 4.06Å; I153-I410 HydrophobicContact CD1-CG2 3.92Å; I153-I410 PolarHBondContact N-O 3.38Å; I153-I410 PolarHBondContact O-N 2.9Å; I153-I410 VanDerWaalsContact O-N 3.17Å
154	R	98.5	Very high	97	Very high	39 Å²	39	30.1 Å²	30.1	15%	0.147	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	134.1	179.1	-55	-64.5	-177	176.3	6.7	109.5	V114 H116 I152 G156 Q404 D409	V114-R154 PolarHBondContact O-N 3.45Å; H116-R154 WeakPolarHBondContact CB-O 3.37Å; H116-R154 PolarHBondContact N-O 2.76Å; I152-R154 HydrophobicContact CG2-CG 4.37Å; R154-G156 PolarHBondContact O-N 3.31Å; R154-Q404 PolarHBondContact NH1-O 3.19Å; R154-D409 WeakPolarHBondContact CA-OD1 3.47Å; R154-D409 WeakPolarHBondContact CD-OD1 3.23Å; R154-D409 IonicContact CZ-OD2 3.7Å; R154-D409 IonicContact NH1-OD2 3.64Å; R154-D409 PolarHBondContact NH1-OD2 2.74Å
155	N	97.3	Very high	97.2	Very high	16 Å²	16	26.6 Å²	26.6	9%	0.086	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	12.9	-175.3	-53.6	-55.5	0	0	0	114.9	D115 H116 D117 I153 A157 R158 N348 N408	D115-N155 PolarHBondContact OD1-ND2 3.32Å; H116-N155 HydrophobicContact CB-CB 4.34Å; D117-N155 PolarHBondContact OD2-ND2 3.35Å; I153-N155 PolarHBondContact O-N 3.02Å; N155-A157 PolarHBondContact O-N 2.97Å; N155-A157 VanDerWaalsContact O-N 3.09Å; N155-R158 HydrophobicContact CB-CB 4.41Å; N155-R158 PolarHBondContact ND2-NH2 3.46Å; N155-R158 WeakPolarHBondContact O-CB 3.33Å; N155-R158 PolarHBondContact O-N 2.84Å; N155-R158 PolarHBondContact OD1-NH2 2.86Å; N155-N348 PolarHBondContact OD1-ND2 3.02Å; N155-N348 VanDerWaalsContact OD1-ND2 3.17Å; N155-N408 CarbonylContact C-O 3.53Å; N155-N408 VanDerWaalsContact C-O 3.22Å; N155-N408 WeakPolarHBondContact CA-O 3.42Å
156	G	97.8	Very high	97.3	Very high	7 Å²	7	26.9 Å²	26.9	7%	0.072	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.9	-176.6	0	0	0	0	0	114.5	I153 R154 N408 I410	I153-G156 PolarHBondContact O-N 3.43Å; I153-G156 VanDerWaalsContact O-N 3.14Å; R154-G156 PolarHBondContact O-N 3.31Å; G156-N408 PolarHBondContact N-O 3.36Å; G156-I410 VanDerWaalsContact C-CD1 3.46Å; G156-I410 WeakPolarHBondContact O-CD1 3.32Å
157	A	97.6	Very high	97.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	11	175.6	0	0	0	0	0	114	N155 N159 L160 V335 K337 N408 I410	N155-A157 PolarHBondContact O-N 2.97Å; N155-A157 VanDerWaalsContact O-N 3.09Å; A157-N159 PolarHBondContact O-N 3.41Å; A157-L160 HydrophobicContact CB-CD1 3.94Å; A157-L160 HydrophobicContact CB-CG 4.35Å; A157-L160 WeakPolarHBondContact O-CB 3.26Å; A157-L160 PolarHBondContact O-N 2.92Å; A157-V335 HydrophobicContact CB-CG1 3.49Å; A157-V335 VanDerWaalsContact CB-CG1 3.49Å; A157-K337 HydrophobicContact CB-CD 4.11Å; A157-N408 PolarHBondContact N-O 3.23Å; A157-I410 HydrophobicContact CB-CD1 4.31Å; A157-I410 HydrophobicContact CB-CG1 3.98Å
158	R	94.5	Very high	97.3	Very high	111 Å²	111	25.2 Å²	25.2	42%	0.419	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-37.7	-178.6	-177.2	-170.7	-66.2	-71.3	7.4	112.7	D117 N155 L160 N408	D117-R158 IonicContact OD1-CZ 3.93Å; D117-R158 IonicContact OD1-NE 3.77Å; D117-R158 PolarHBondContact OD1-NE 3.32Å; D117-R158 VanDerWaalsContact OD1-NE 3.15Å; D117-R158 IonicContact OD1-NH2 3.79Å; D117-R158 IonicContact OD2-CZ 2.93Å; D117-R158 IonicContact OD2-NE 2.75Å; D117-R158 IonicContact OD2-NH2 3.79Å; D117-R158 PolarHBondContact OD2-NH2 3.46Å; N155-R158 HydrophobicContact CB-CB 4.41Å; N155-R158 PolarHBondContact ND2-NH2 3.46Å; N155-R158 WeakPolarHBondContact O-CB 3.33Å; N155-R158 PolarHBondContact O-N 2.84Å; N155-R158 PolarHBondContact OD1-NH2 2.86Å; R158-L160 VanDerWaalsContact C-N 3.29Å; R158-L160 PolarHBondContact O-N 2.93Å; R158-N408 HydrophobicContact CB-CB 4.41Å
159	N	93.8	Very high	97.2	Very high	132 Å²	132	32.1 Å²	32.1	71%	0.706	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-1.2	-179.1	-64	-33.4	0	0	0	113.6	A157	A157-N159 PolarHBondContact O-N 3.41Å
160	L	96.7	Very high	97.2	Very high	17 Å²	17	35.8 Å²	35.8	9%	0.089	18%	0.175	C	C	.	.	S	Bend	trans	-88.7	148.9	173.4	-58.5	-176.9	0	0	0	109.8	A157 R158 F163 V236 L243 V335	A157-L160 HydrophobicContact CB-CD1 3.94Å; A157-L160 HydrophobicContact CB-CG 4.35Å; A157-L160 WeakPolarHBondContact O-CB 3.26Å; A157-L160 PolarHBondContact O-N 2.92Å; R158-L160 VanDerWaalsContact C-N 3.29Å; R158-L160 PolarHBondContact O-N 2.93Å; L160-F163 HydrophobicContact CB-CE1 4.04Å; L160-F163 HydrophobicContact CB-CZ 4.41Å; L160-F163 HydrophobicContact CD1-CE1 4.36Å; L160-F163 HydrophobicContact CD1-CZ 4.03Å; L160-V236 HydrophobicContact CD2-CG1 4.19Å; L160-V236 WeakPolarHBondContact CD2-O 3.4Å; L160-L243 HydrophobicContact CD1-CD1 3.8Å; L160-V335 HydrophobicContact CD1-CG1 4.31Å
161	P	96.2	Very high	97.1	Very high	49 Å²	49	39.1 Å²	39.1	32%	0.318	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-62.5	159.3	176.5	28.7	-35.6	0	0	0	111	F163 Y166 V236 K337	P161-F163 WeakPolarHBondContact O-CD1 3.39Å; P161-F163 WeakPolarHBondContact O-CE1 3.39Å; P161-F163 PolarHBondContact O-N 3.18Å; P161-Y166 HydrophobicContact CB-CD2 4.21Å; P161-Y166 HydrophobicContact CG-CD2 3.9Å; P161-Y166 HydrophobicContact CG-CG 4.36Å; P161-V236 VanDerWaalsContact CD-CG1 3.41Å; P161-V236 HydrophobicContact CG-CG1 3.71Å; P161-K337 WeakPolarHBondContact O-CE 3.16Å
162	N	95.5	Very high	97.1	Very high	29 Å²	29	41.2 Å²	41.2	16%	0.155	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-63.2	119.2	164.1	-172.8	-71	0	0	0	108.9	F164 E165 Y166 A338	N162-F164 WeakPolarHBondContact OD1-CB 3.18Å; N162-F164 PolarHBondContact OD1-N 3.15Å; N162-E165 HydrophobicContact CB-CB 4.25Å; N162-E165 HydrophobicContact CB-CG 4.3Å; N162-E165 PolarHBondContact O-N 3.33Å; N162-E165 PolarHBondContact OD1-N 3.31Å; N162-Y166 VanDerWaalsContact O-CB 3.24Å; N162-Y166 WeakPolarHBondContact O-CB 3.39Å; N162-Y166 PolarHBondContact O-N 3.49Å; N162-A338 PolarHBondContact ND2-O 2.92Å
163	F	97.3	Very high	97	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.2	-38.7	-171.9	-60.3	-22.3	0	0	0	112.9	L160 P161 Y166 F167 F233 L237 M269 V335 K337 T428 V430	L160-F163 HydrophobicContact CB-CE1 4.04Å; L160-F163 HydrophobicContact CB-CZ 4.41Å; L160-F163 HydrophobicContact CD1-CE1 4.36Å; L160-F163 HydrophobicContact CD1-CZ 4.03Å; P161-F163 WeakPolarHBondContact O-CD1 3.39Å; P161-F163 WeakPolarHBondContact O-CE1 3.39Å; P161-F163 PolarHBondContact O-N 3.18Å; F163-Y166 PolarHBondContact O-N 3.13Å; F163-F167 WeakPolarHBondContact O-CD2 3.35Å; F163-F167 PolarHBondContact O-N 3.36Å; F163-F233 HydrophobicContact CB-CZ 4.37Å; F163-F233 AromaticContact CD1-CE2 3.5Å; F163-F233 HydrophobicContact CD1-CE2 3.5Å; F163-F233 AromaticContact CD1-CZ 3.56Å; F163-F233 HydrophobicContact CD1-CZ 3.56Å; F163-F233 HydrophobicContact CD2-CZ 4.2Å; F163-F233 AromaticContact CE1-CE2 3.87Å; F163-F233 HydrophobicContact CE1-CE2 3.87Å; F163-F233 AromaticContact CE1-CZ 3.76Å; F163-F233 HydrophobicContact CE1-CZ 3.76Å; F163-F233 HydrophobicContact CE2-CZ 4.38Å; F163-F233 HydrophobicContact CG-CE2 4.08Å; F163-F233 AromaticContact CG-CZ 3.79Å; F163-F233 HydrophobicContact CG-CZ 3.79Å; F163-F233 HydrophobicContact CZ-CZ 4.17Å; F163-L237 HydrophobicContact CE1-CD2 4.37Å; F163-L237 HydrophobicContact CZ-CD2 3.87Å; F163-M269 HydrophobicContact CB-SD 4.24Å; F163-V335 HydrophobicContact CE2-CB 3.99Å; F163-V335 HydrophobicContact CE2-CG1 3.74Å; F163-V335 HydrophobicContact CZ-CB 4.34Å; F163-V335 HydrophobicContact CZ-CG1 3.78Å; F163-K337 HydrophobicContact CD1-CG 4.04Å; F163-K337 HydrophobicContact CD2-CB 4.14Å; F163-K337 HydrophobicContact CD2-CG 3.49Å; F163-K337 VanDerWaalsContact CD2-CG 3.49Å; F163-K337 HydrophobicContact CE1-CG 4.07Å; F163-K337 HydrophobicContact CE2-CD 4.47Å; F163-K337 HydrophobicContact CE2-CG 3.53Å; F163-K337 HydrophobicContact CG-CB 4.36Å; F163-K337 HydrophobicContact CG-CG 3.77Å; F163-K337 HydrophobicContact CZ-CD 4.38Å; F163-K337 HydrophobicContact CZ-CG 3.83Å; F163-T428 HydrophobicContact CB-CG2 3.64Å; F163-T428 HydrophobicContact CD2-CG2 4.3Å; F163-V430 HydrophobicContact CD2-CB 4.45Å; F163-V430 HydrophobicContact CD2-CG2 3.51Å; F163-V430 HydrophobicContact CE2-CB 4.19Å; F163-V430 HydrophobicContact CE2-CG2 3.69Å; F163-V430 HydrophobicContact CG-CG2 4.38Å
164	F	97.4	Very high	97	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-51.9	174.9	166.5	-112.9	0	0	0	111.1	N162 Y166 F167 A168 Y195 A196 V199 I271 V339 T428	N162-F164 WeakPolarHBondContact OD1-CB 3.18Å; N162-F164 PolarHBondContact OD1-N 3.15Å; F164-Y166 PolarHBondContact O-N 2.9Å; F164-F167 PolarHBondContact O-N 2.96Å; F164-A168 VanDerWaalsContact O-CB 3.3Å; F164-A168 WeakPolarHBondContact O-CB 3.42Å; F164-A168 PolarHBondContact O-N 2.67Å; F164-Y195 HydrophobicContact CE2-CD1 4.46Å; F164-Y195 HydrophobicContact CE2-CE1 4.49Å; F164-A196 HydrophobicContact CE2-CB 3.7Å; F164-A196 HydrophobicContact CZ-CB 3.61Å; F164-V199 HydrophobicContact CE1-CG1 4.01Å; F164-V199 HydrophobicContact CE2-CB 4.23Å; F164-V199 HydrophobicContact CE2-CG1 4.23Å; F164-V199 HydrophobicContact CE2-CG2 4.32Å; F164-V199 HydrophobicContact CZ-CB 3.76Å; F164-V199 HydrophobicContact CZ-CG1 3.63Å; F164-V199 HydrophobicContact CZ-CG2 4.35Å; F164-I271 HydrophobicContact CB-CD1 4.42Å; F164-I271 HydrophobicContact CD2-CD1 3.62Å; F164-I271 HydrophobicContact CE2-CD1 4.4Å; F164-I271 HydrophobicContact CG-CD1 4.45Å; F164-V339 HydrophobicContact CB-CG2 4.35Å; F164-V339 HydrophobicContact CD1-CG1 3.98Å; F164-V339 HydrophobicContact CE1-CG1 4.21Å; F164-T428 WeakPolarHBondContact CB-OG1 3.42Å
165	E	96.1	Very high	97	Very high	63 Å²	63	51.9 Å²	51.9	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-66.3	-38.1	179.4	-63.3	-58.8	159.8	0	0	112.3	N162 F167 A168 H169 R200	N162-E165 HydrophobicContact CB-CB 4.25Å; N162-E165 HydrophobicContact CB-CG 4.3Å; N162-E165 PolarHBondContact O-N 3.33Å; N162-E165 PolarHBondContact OD1-N 3.31Å; E165-F167 PolarHBondContact O-N 2.89Å; E165-A168 PolarHBondContact O-N 2.68Å; E165-H169 VanDerWaalsContact O-CB 3.28Å; E165-H169 WeakPolarHBondContact O-CB 3.37Å; E165-H169 PolarHBondContact O-N 3.01Å; E165-R200 IonicContact OE1-NE 3.62Å; E165-R200 IonicContact OE1-NH2 3.43Å; E165-R200 IonicContact OE2-CZ 3.63Å; E165-R200 IonicContact OE2-NE 3.89Å; E165-R200 IonicContact OE2-NH2 3.77Å; E165-R200 PolarHBondContact OE2-NH2 3.47Å
166	Y	97.4	Very high	97	Very high	46 Å²	46	51.1 Å²	51.1	18%	0.18	26%	0.257	C	S	.	.	H	α-helix	trans	-58.5	-48.1	176.1	178.9	-84.1	0	0	0	111.4	P161 N162 F163 F164 N170 Y171 F233 V236	P161-Y166 HydrophobicContact CB-CD2 4.21Å; P161-Y166 HydrophobicContact CG-CD2 3.9Å; P161-Y166 HydrophobicContact CG-CG 4.36Å; N162-Y166 VanDerWaalsContact O-CB 3.24Å; N162-Y166 WeakPolarHBondContact O-CB 3.39Å; N162-Y166 PolarHBondContact O-N 3.49Å; F163-Y166 PolarHBondContact O-N 3.13Å; F164-Y166 PolarHBondContact O-N 2.9Å; Y166-N170 WeakPolarHBondContact O-CB 3.4Å; Y166-N170 PolarHBondContact O-N 2.8Å; Y166-N170 PolarHBondContact O-ND2 2.9Å; Y166-Y171 AromaticContact CE1-CE2 3.93Å; Y166-Y171 HydrophobicContact CE1-CE2 3.93Å; Y166-F233 AromaticContact CD1-CD2 3.59Å; Y166-F233 HydrophobicContact CD1-CD2 3.59Å; Y166-F233 HydrophobicContact CD1-CE2 4.14Å; Y166-F233 HydrophobicContact CE1-CB 3.9Å; Y166-F233 AromaticContact CE1-CD2 3.47Å; Y166-F233 HydrophobicContact CE1-CD2 3.47Å; Y166-F233 VanDerWaalsContact CE1-CD2 3.47Å; Y166-F233 HydrophobicContact CE1-CE2 4.44Å; Y166-F233 HydrophobicContact CE1-CG 4.1Å; Y166-F233 HydrophobicContact CG-CD2 4.31Å; Y166-V236 HydrophobicContact CE2-CG2 4.28Å
167	F	98.1	Very high	97	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-74.7	-39.5	-179.1	-85.6	-98.9	0	0	0	112.1	F163 F164 E165 H169 N170 Y171 L174 L192 I216 L218 F230 F233 M269	F163-F167 WeakPolarHBondContact O-CD2 3.35Å; F163-F167 PolarHBondContact O-N 3.36Å; F164-F167 PolarHBondContact O-N 2.96Å; E165-F167 PolarHBondContact O-N 2.89Å; F167-H169 VanDerWaalsContact C-N 3.26Å; F167-H169 PolarHBondContact O-N 2.84Å; F167-N170 PolarHBondContact O-N 2.81Å; F167-Y171 HydrophobicContact CB-CD2 4.49Å; F167-Y171 AromaticContact CD1-CD2 3.52Å; F167-Y171 HydrophobicContact CD1-CD2 3.52Å; F167-Y171 HydrophobicContact CD1-CE2 4.18Å; F167-Y171 HydrophobicContact CD1-CG 4.3Å; F167-Y171 AromaticContact CE1-CD2 3.95Å; F167-Y171 HydrophobicContact CE1-CD2 3.95Å; F167-Y171 HydrophobicContact CE1-CE2 4.21Å; F167-Y171 HydrophobicContact CG-CD2 4.1Å; F167-Y171 CarbonylContact O-C 3.6Å; F167-Y171 WeakPolarHBondContact O-CA 3.46Å; F167-Y171 WeakPolarHBondContact O-CB 3.43Å; F167-Y171 PolarHBondContact O-N 3.29Å; F167-L174 HydrophobicContact CD1-CD2 4.46Å; F167-L192 VanDerWaalsContact C-CD2 3.42Å; F167-L192 HydrophobicContact CB-CD2 3.46Å; F167-L192 VanDerWaalsContact CB-CD2 3.46Å; F167-L192 WeakPolarHBondContact O-CD2 3.23Å; F167-I216 HydrophobicContact CE1-CD1 4.42Å; F167-L218 HydrophobicContact CE1-CD2 3.97Å; F167-L218 HydrophobicContact CZ-CD1 4.48Å; F167-L218 HydrophobicContact CZ-CD2 3.63Å; F167-F230 HydrophobicContact CD1-CE1 4.46Å; F167-F230 AromaticContact CE1-CD1 3.81Å; F167-F230 HydrophobicContact CE1-CD1 3.81Å; F167-F230 HydrophobicContact CE1-CD2 4.3Å; F167-F230 AromaticContact CE1-CE1 3.9Å; F167-F230 HydrophobicContact CE1-CE1 3.9Å; F167-F230 HydrophobicContact CE1-CE2 4.35Å; F167-F230 HydrophobicContact CE1-CG 4.01Å; F167-F230 HydrophobicContact CE1-CZ 4.16Å; F167-F230 HydrophobicContact CZ-CG 4.4Å; F167-F233 HydrophobicContact CD2-CD2 4.33Å; F167-F233 HydrophobicContact CD2-CE2 4.3Å; F167-F233 HydrophobicContact CE2-CB 4.31Å; F167-F233 AromaticContact CE2-CD1 3.69Å; F167-F233 HydrophobicContact CE2-CD1 3.69Å; F167-F233 AromaticContact CE2-CD2 3.52Å; F167-F233 HydrophobicContact CE2-CD2 3.52Å; F167-F233 AromaticContact CE2-CE1 3.77Å; F167-F233 HydrophobicContact CE2-CE1 3.77Å; F167-F233 AromaticContact CE2-CE2 3.61Å; F167-F233 HydrophobicContact CE2-CE2 3.61Å; F167-F233 AromaticContact CE2-CG 3.54Å; F167-F233 HydrophobicContact CE2-CG 3.54Å; F167-F233 AromaticContact CE2-CZ 3.73Å; F167-F233 HydrophobicContact CE2-CZ 3.73Å; F167-F233 HydrophobicContact CZ-CB 4.09Å; F167-F233 AromaticContact CZ-CD1 3.73Å; F167-F233 HydrophobicContact CZ-CD1 3.73Å; F167-F233 HydrophobicContact CZ-CD2 4.15Å; F167-F233 HydrophobicContact CZ-CE1 4.16Å; F167-F233 AromaticContact CZ-CG 3.7Å; F167-F233 HydrophobicContact CZ-CG 3.7Å; F167-M269 HydrophobicContact CB-CE 4.21Å; F167-M269 HydrophobicContact CD1-CE 3.88Å; F167-M269 HydrophobicContact CD2-CE 3.61Å; F167-M269 HydrophobicContact CD2-SD 3.71Å; F167-M269 HydrophobicContact CE1-CE 4.08Å; F167-M269 HydrophobicContact CE2-CE 3.82Å; F167-M269 HydrophobicContact CE2-SD 3.65Å; F167-M269 HydrophobicContact CG-CE 3.65Å; F167-M269 HydrophobicContact CG-SD 4.37Å; F167-M269 HydrophobicContact CZ-CE 4.06Å; F167-M269 HydrophobicContact CZ-SD 4.27Å
168	A	96.9	Very high	97	Very high	10 Å²	10	54.7 Å²	54.7	8%	0.083	27%	0.271	C	S	.	.	H	α-helix	trans	-58.7	-39.6	176	0	0	0	0	0	111.8	F164 E165 S172 A196	F164-A168 VanDerWaalsContact O-CB 3.3Å; F164-A168 WeakPolarHBondContact O-CB 3.42Å; F164-A168 PolarHBondContact O-N 2.67Å; E165-A168 PolarHBondContact O-N 2.68Å; A168-S172 WeakPolarHBondContact O-CB 3.38Å; A168-A196 HydrophobicContact CB-CB 3.65Å
169	H	96.5	Very high	97.1	Very high	154 Å²	154	50 Å²	50	71%	0.713	26%	0.257	S	S	*	.	H	α-helix	trans	-72.8	-49.4	177.4	178.7	-86.7	0	0	0	113	E165 F167	E165-H169 VanDerWaalsContact O-CB 3.28Å; E165-H169 WeakPolarHBondContact O-CB 3.37Å; E165-H169 PolarHBondContact O-N 3.01Å; F167-H169 VanDerWaalsContact C-N 3.26Å; F167-H169 PolarHBondContact O-N 2.84Å
170	N	98	Very high	97.2	Very high	77 Å²	77	45 Å²	45	41%	0.412	23%	0.233	S	C	.	.	H	α-helix	trans	-88.8	-19.2	-169.5	-63.7	-63	0	0	0	113.8	Y166 F167	Y166-N170 WeakPolarHBondContact O-CB 3.4Å; Y166-N170 PolarHBondContact O-N 2.8Å; Y166-N170 PolarHBondContact O-ND2 2.9Å; F167-N170 PolarHBondContact O-N 2.81Å
171	Y	97.9	Very high	97.2	Very high	69 Å²	69	44.8 Å²	44.8	27%	0.271	23%	0.232	S	C	.	.			trans	-139	42.1	-173.2	-53.6	-71.6	0	0	0	111.3	Y166 F167 E173 L174 F230	Y166-Y171 AromaticContact CE1-CE2 3.93Å; Y166-Y171 HydrophobicContact CE1-CE2 3.93Å; F167-Y171 HydrophobicContact CB-CD2 4.49Å; F167-Y171 AromaticContact CD1-CD2 3.52Å; F167-Y171 HydrophobicContact CD1-CD2 3.52Å; F167-Y171 HydrophobicContact CD1-CE2 4.18Å; F167-Y171 HydrophobicContact CD1-CG 4.3Å; F167-Y171 AromaticContact CE1-CD2 3.95Å; F167-Y171 HydrophobicContact CE1-CD2 3.95Å; F167-Y171 HydrophobicContact CE1-CE2 4.21Å; F167-Y171 HydrophobicContact CG-CD2 4.1Å; F167-Y171 CarbonylContact O-C 3.6Å; F167-Y171 WeakPolarHBondContact O-CA 3.46Å; F167-Y171 WeakPolarHBondContact O-CB 3.43Å; F167-Y171 PolarHBondContact O-N 3.29Å; Y171-E173 PolarHBondContact O-N 3.19Å; Y171-L174 WeakPolarHBondContact O-CB 3.44Å; Y171-L174 PolarHBondContact O-N 3.38Å; Y171-F230 HydrophobicContact CD1-CD1 4.04Å; Y171-F230 AromaticContact CD1-CE1 3.92Å; Y171-F230 HydrophobicContact CD1-CE1 3.92Å; Y171-F230 HydrophobicContact CD2-CD1 4.04Å; Y171-F230 HydrophobicContact CD2-CE1 4.17Å; Y171-F230 AromaticContact CE1-CD1 3.74Å; Y171-F230 HydrophobicContact CE1-CD1 3.74Å; Y171-F230 HydrophobicContact CE1-CE1 4.1Å; Y171-F230 AromaticContact CE2-CD1 3.73Å; Y171-F230 HydrophobicContact CE2-CD1 3.73Å; Y171-F230 HydrophobicContact CE2-CE1 4.32Å; Y171-F230 HydrophobicContact CG-CD1 4.2Å; Y171-F230 AromaticContact CG-CE1 3.98Å; Y171-F230 HydrophobicContact CG-CE1 3.98Å; Y171-F230 AromaticContact CZ-CD1 3.59Å
172	S	97.9	Very high	96.9	Very high	44 Å²	44	45.8 Å²	45.8	31%	0.308	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-40.8	178.9	179.3	0	0	0	0	112.9	A168 L174 T191 L192 G193	A168-S172 WeakPolarHBondContact O-CB 3.38Å; S172-L174 PolarHBondContact O-N 2.96Å; S172-T191 WeakPolarHBondContact O-CB 3.4Å; S172-L192 PolarHBondContact O-N 3.08Å; S172-G193 PolarHBondContact O-N 2.75Å; S172-G193 WeakPolarHBondContact OG-CA 3.47Å
173	E	98	Very high	96.7	Very high	149 Å²	149	48 Å²	48	70%	0.696	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	0.1	-179.8	-56.7	-52.6	128.1	0	0	114	Y171 V175	Y171-E173 PolarHBondContact O-N 3.19Å; E173-V175 PolarHBondContact O-N 2.99Å
174	L	97.8	Very high	96.2	Very high	29 Å²	29	55.8 Å²	55.8	15%	0.152	28%	0.275	C	S	.	.			trans	-63.6	123	177.7	178.4	64.6	0	0	0	109.8	F167 Y171 S172 V176 T191 L192 I216 F230	F167-L174 HydrophobicContact CD1-CD2 4.46Å; Y171-L174 WeakPolarHBondContact O-CB 3.44Å; Y171-L174 PolarHBondContact O-N 3.38Å; S172-L174 PolarHBondContact O-N 2.96Å; L174-V176 HydrophobicContact CD2-CG1 4.24Å; L174-V176 HydrophobicContact CG-CG1 4.11Å; L174-V176 PolarHBondContact O-N 3.07Å; L174-T191 CarbonylContact O-C 3.52Å; L174-T191 WeakPolarHBondContact O-CA 3.37Å; L174-L192 HydrophobicContact CB-CB 4.23Å; L174-L192 PolarHBondContact O-N 3.02Å; L174-I216 HydrophobicContact CD2-CD1 3.66Å; L174-F230 HydrophobicContact CD1-CZ 3.99Å; L174-F230 HydrophobicContact CD2-CE1 4.21Å; L174-F230 HydrophobicContact CD2-CZ 3.81Å
175	V	97.7	Very high	95.9	Very high	86 Å²	86	64.1 Å²	64.1	52%	0.521	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125.4	175.7	179.9	0	0	0	0	109.7	E173 T189	E173-V175 PolarHBondContact O-N 2.99Å; V175-T189 HydrophobicContact CG1-CG2 3.32Å
176	V	97.9	Very high	95.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	156.2	-179.2	-62.6	0	0	0	0	110.9	L174 T178 T189 T190 L192 M213 I216	L174-V176 HydrophobicContact CD2-CG1 4.24Å; L174-V176 HydrophobicContact CG-CG1 4.11Å; L174-V176 PolarHBondContact O-N 3.07Å; V176-T178 HydrophobicContact CG2-CG2 4.38Å; V176-T189 WeakPolarHBondContact O-CA 3.46Å; V176-T190 HydrophobicContact CG2-CG2 4.07Å; V176-T190 PolarHBondContact N-O 3.44Å; V176-T190 PolarHBondContact O-N 2.87Å; V176-L192 HydrophobicContact CG1-CB 4.26Å; V176-L192 HydrophobicContact CG1-CD1 4.42Å; V176-M213 HydrophobicContact CB-CG 4.1Å; V176-M213 HydrophobicContact CB-SD 4.14Å; V176-M213 HydrophobicContact CG1-CG 4.5Å; V176-M213 HydrophobicContact CG1-SD 3.91Å; V176-M213 HydrophobicContact CG2-CG 4.35Å; V176-M213 HydrophobicContact CG2-SD 4.44Å; V176-I216 HydrophobicContact CG1-CG2 4.34Å
177	K	97.9	Very high	95.8	Very high	77 Å²	77	66 Å²	66	34%	0.335	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	136.8	173.1	-65.1	178.6	-174.8	173.8	0	109.4	V187 Q188 L214	K177-V187 HydrophobicContact CB-CG1 3.91Å; K177-V187 HydrophobicContact CD-CG1 4.38Å; K177-V187 HydrophobicContact CG-CG1 4.36Å; K177-Q188 CarbonylContact C-O 3.54Å; K177-Q188 WeakPolarHBondContact CA-O 3.08Å; K177-L214 HydrophobicContact CB-CB 4.26Å; K177-L214 HydrophobicContact CB-CD1 3.96Å; K177-L214 HydrophobicContact CB-CG 4.28Å; K177-L214 PolarHBondContact O-N 3.36Å
178	T	97.9	Very high	95.7	Very high	4 Å²	4	70.8 Å²	70.8	3%	0.025	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144	-176.6	63.2	0	0	0	0	109.9	V176 V187 Q188 T190 Y195 P212	V176-T178 HydrophobicContact CG2-CG2 4.38Å; T178-V187 CarbonylContact O-C 3.51Å; T178-V187 VanDerWaalsContact O-CA 3.29Å; T178-V187 WeakPolarHBondContact O-CA 3.41Å; T178-Q188 PolarHBondContact N-O 2.92Å; T178-Q188 PolarHBondContact O-N 2.96Å; T178-Q188 PolarHBondContact OG1-O 3.14Å; T178-T190 HydrophobicContact CG2-CG2 3.81Å; T178-Y195 HydrophobicContact CG2-CD2 3.4Å; T178-Y195 HydrophobicContact CG2-CE2 3.72Å; T178-Y195 HydrophobicContact CG2-CG 4.04Å; T178-P212 CarbonylContact C-O 3.48Å; T178-P212 VanDerWaalsContact CA-O 3.26Å; T178-P212 WeakPolarHBondContact CA-O 3.28Å
179	G	97.1	Very high	95.8	Very high	13 Å²	13	75 Å²	75	13%	0.134	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	168.8	175.7	0	0	0	0	0	112.3	E186 G211 P212	G179-E186 WeakPolarHBondContact CA-O 3.36Å; G179-G211 VanDerWaalsContact O-CA 3.31Å; G179-G211 WeakPolarHBondContact O-CA 3.08Å; G179-P212 PolarHBondContact N-O 3.35Å
180	S	95.7	Very high	95.9	Very high	28 Å²	28	68.5 Å²	68.5	20%	0.196	35%	0.348	C	S	.	.			trans	-96.8	146.2	173.4	175.1	0	0	0	0	111.9	I182 N183 E186	S180-I182 VanDerWaalsContact C-N 3.26Å; S180-I182 PolarHBondContact OG-N 2.78Å; S180-N183 WeakPolarHBondContact CB-O 3.41Å; S180-N183 PolarHBondContact OG-N 2.93Å; S180-N183 VanDerWaalsContact OG-N 3.17Å; S180-E186 VanDerWaalsContact CB-OE2 3.3Å; S180-E186 WeakPolarHBondContact CB-OE2 3.19Å; S180-E186 PolarHBondContact N-O 2.84Å; S180-E186 PolarHBondContact OG-OE2 2.95Å
181	L	95.3	Very high	95.9	Very high	12 Å²	12	66.2 Å²	66.2	6%	0.063	34%	0.337	C	S	.	.	S	Bend	trans	-77.3	-14	173.5	-63.2	-173	0	0	0	113.3	R209 P273 V278 F310	L181-R209 HydrophobicContact CD1-CB 4.32Å; L181-R209 WeakPolarHBondContact CD1-O 3.07Å; L181-P273 HydrophobicContact CD2-CB 4.24Å; L181-P273 HydrophobicContact CD2-CG 3.71Å; L181-V278 HydrophobicContact CB-CG1 4.46Å; L181-V278 HydrophobicContact CB-CG2 3.79Å; L181-V278 HydrophobicContact CD1-CG2 3.97Å; L181-V278 HydrophobicContact CG-CG2 4.5Å; L181-F310 HydrophobicContact CB-CD2 4.27Å; L181-F310 HydrophobicContact CB-CG 4.43Å; L181-F310 HydrophobicContact CD2-CB 4.42Å; L181-F310 HydrophobicContact CD2-CD1 3.73Å; L181-F310 HydrophobicContact CD2-CD2 3.7Å; L181-F310 HydrophobicContact CD2-CE1 3.84Å; L181-F310 HydrophobicContact CD2-CE2 3.79Å; L181-F310 HydrophobicContact CD2-CG 3.66Å; L181-F310 HydrophobicContact CD2-CZ 3.86Å
182	I	91.7	Very high	95.9	Very high	69 Å²	69	63 Å²	63	35%	0.354	32%	0.324	S	S	.	.	S	Bend	trans	-110	-48.9	-176	-59	173.9	0	0	0	109.9	S180 V278 T283	S180-I182 VanDerWaalsContact C-N 3.26Å; S180-I182 PolarHBondContact OG-N 2.78Å; I182-V278 HydrophobicContact CD1-CG1 4.18Å; I182-V278 HydrophobicContact CG1-CG1 3.94Å; I182-T283 HydrophobicContact CD1-CG2 4.3Å
183	N	90.9	Very high	95.9	Very high	76 Å²	76	61.3 Å²	61.3	41%	0.406	31%	0.314	S	S	.	.			trans	-104.4	102.1	-180	-175.7	-0.8	0	0	0	111.1	S180 Q185 E186	S180-N183 WeakPolarHBondContact CB-O 3.41Å; S180-N183 PolarHBondContact OG-N 2.93Å; S180-N183 VanDerWaalsContact OG-N 3.17Å; N183-Q185 PolarHBondContact O-N 3.3Å; N183-Q185 VanDerWaalsContact O-N 3.09Å; N183-Q185 PolarHBondContact OD1-N 2.66Å; N183-Q185 VanDerWaalsContact OD1-N 3.13Å; N183-E186 HydrophobicContact CB-CB 3.88Å; N183-E186 WeakPolarHBondContact O-CB 3.39Å; N183-E186 PolarHBondContact O-N 3Å
184	R	86.6	Confident	95.9	Very high	163 Å²	163	59.5 Å²	59.5	62%	0.615	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.4	-177.8	-65.4	-173.9	-177	-174.9	1.7	114.4	E311	R184-E311 IonicContact CZ-OE2 3.63Å; R184-E311 IonicContact NH1-OE2 3.55Å; R184-E311 IonicContact NH2-OE2 2.77Å; R184-E311 PolarHBondContact NH2-OE2 3.49Å
185	Q	90.6	Very high	95.9	Very high	177 Å²	177	58.1 Å²	58.1	83%	0.827	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-12.7	178.9	-63.9	177.6	-8.8	0	0	112.7	N183	N183-Q185 PolarHBondContact O-N 3.3Å; N183-Q185 VanDerWaalsContact O-N 3.09Å; N183-Q185 PolarHBondContact OD1-N 2.66Å; N183-Q185 VanDerWaalsContact OD1-N 3.13Å
186	E	95.1	Very high	95.9	Very high	66 Å²	66	54 Å²	54	31%	0.308	27%	0.273	S	S	.	.			trans	-80.7	124.2	-177.8	-176.6	179	-171.7	0	0	110.6	G179 S180 N183 Q188	G179-E186 WeakPolarHBondContact CA-O 3.36Å; S180-E186 VanDerWaalsContact CB-OE2 3.3Å; S180-E186 WeakPolarHBondContact CB-OE2 3.19Å; S180-E186 PolarHBondContact N-O 2.84Å; S180-E186 PolarHBondContact OG-OE2 2.95Å; N183-E186 HydrophobicContact CB-CB 3.88Å; N183-E186 WeakPolarHBondContact O-CB 3.39Å; N183-E186 PolarHBondContact O-N 3Å; E186-Q188 HydrophobicContact CG-CG 4.32Å; E186-Q188 PolarHBondContact OE1-NE2 3.43Å
187	V	96.7	Very high	95.9	Very high	81 Å²	81	58.8 Å²	58.8	49%	0.491	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.1	172.3	179.4	0	0	0	0	108.4	K177 T178 L214	K177-V187 HydrophobicContact CB-CG1 3.91Å; K177-V187 HydrophobicContact CD-CG1 4.38Å; K177-V187 HydrophobicContact CG-CG1 4.36Å; T178-V187 CarbonylContact O-C 3.51Å; T178-V187 VanDerWaalsContact O-CA 3.29Å; T178-V187 WeakPolarHBondContact O-CA 3.41Å; V187-L214 HydrophobicContact CG1-CD1 3.97Å; V187-L214 HydrophobicContact CG2-CD1 4.22Å
188	Q	96.3	Very high	95.9	Very high	103 Å²	103	58.9 Å²	58.9	48%	0.481	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.3	177.8	-62	-176.5	0.3	0	0	110.2	K177 T178 E186	K177-Q188 CarbonylContact C-O 3.54Å; K177-Q188 WeakPolarHBondContact CA-O 3.08Å; T178-Q188 PolarHBondContact N-O 2.92Å; T178-Q188 PolarHBondContact O-N 2.96Å; T178-Q188 PolarHBondContact OG1-O 3.14Å; E186-Q188 HydrophobicContact CG-CG 4.32Å; E186-Q188 PolarHBondContact OE1-NE2 3.43Å
189	T	97.8	Very high	95.9	Very high	97 Å²	97	58.7 Å²	58.7	60%	0.595	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	131.4	174.4	-58	0	0	0	0	109.3	V175 V176	V175-T189 HydrophobicContact CG1-CG2 3.32Å; V176-T189 WeakPolarHBondContact O-CA 3.46Å
190	T	98.1	Very high	95.8	Very high	18 Å²	18	62.1 Å²	62.1	11%	0.11	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	173.2	-178.5	-179.6	0	0	0	0	109.2	V176 T178 E194	V176-T190 HydrophobicContact CG2-CG2 4.07Å; V176-T190 PolarHBondContact N-O 3.44Å; V176-T190 PolarHBondContact O-N 2.87Å; T178-T190 HydrophobicContact CG2-CG2 3.81Å; T190-E194 VanDerWaalsContact OG1-CB 3.22Å; T190-E194 WeakPolarHBondContact OG1-CB 3.35Å; T190-E194 PolarHBondContact OG1-OE2 2.77Å
191	T	98.3	Very high	95.8	Very high	30 Å²	30	65.2 Å²	65.2	18%	0.184	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	156.9	168.7	69.7	0	0	0	0	110.4	S172 L174 G193 E194 Y195	S172-T191 WeakPolarHBondContact O-CB 3.4Å; L174-T191 CarbonylContact O-C 3.52Å; L174-T191 WeakPolarHBondContact O-CA 3.37Å; T191-G193 PolarHBondContact O-N 3Å; T191-E194 PolarHBondContact O-N 3.3Å; T191-E194 WeakPolarHBondContact OG1-CG 3.1Å; T191-E194 PolarHBondContact OG1-N 2.75Å; T191-Y195 PolarHBondContact O-N 2.99Å
192	L	98.3	Very high	95.7	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-65.1	-31.9	177.6	-177.6	62	0	0	0	112	F167 S172 L174 V176 Y195 A196 M213	F167-L192 VanDerWaalsContact C-CD2 3.42Å; F167-L192 HydrophobicContact CB-CD2 3.46Å; F167-L192 VanDerWaalsContact CB-CD2 3.46Å; F167-L192 WeakPolarHBondContact O-CD2 3.23Å; S172-L192 PolarHBondContact O-N 3.08Å; L174-L192 HydrophobicContact CB-CB 4.23Å; L174-L192 PolarHBondContact O-N 3.02Å; V176-L192 HydrophobicContact CG1-CB 4.26Å; V176-L192 HydrophobicContact CG1-CD1 4.42Å; L192-Y195 HydrophobicContact CD1-CD1 4.06Å; L192-Y195 PolarHBondContact O-N 2.71Å; L192-A196 VanDerWaalsContact O-CB 3.23Å; L192-A196 WeakPolarHBondContact O-CB 3.32Å; L192-A196 PolarHBondContact O-N 2.87Å; L192-M213 HydrophobicContact CD1-SD 3.92Å
193	G	98	Very high	95.9	Very high	9 Å²	9	64 Å²	64	9%	0.093	33%	0.331	C	S	.	.	H	α-helix	trans	-60.9	-51.3	173.9	0	0	0	0	0	112.2	S172 T191 Y195 A196 D197	S172-G193 PolarHBondContact O-N 2.75Å; S172-G193 WeakPolarHBondContact OG-CA 3.47Å; T191-G193 PolarHBondContact O-N 3Å; G193-Y195 PolarHBondContact O-N 3.03Å; G193-A196 WeakPolarHBondContact O-CB 3.32Å; G193-A196 PolarHBondContact O-N 3.43Å; G193-A196 VanDerWaalsContact O-N 3.14Å; G193-D197 PolarHBondContact O-N 3.01Å
194	E	98.4	Very high	96	Very high	111 Å²	111	65.6 Å²	65.6	52%	0.519	34%	0.34	S	S	.	.	H	α-helix	trans	-60.7	-43.9	176.3	-73.6	175.5	165.8	0	0	111.8	T190 T191 A196 D197 M198	T190-E194 VanDerWaalsContact OG1-CB 3.22Å; T190-E194 WeakPolarHBondContact OG1-CB 3.35Å; T190-E194 PolarHBondContact OG1-OE2 2.77Å; T191-E194 PolarHBondContact O-N 3.3Å; T191-E194 WeakPolarHBondContact OG1-CG 3.1Å; T191-E194 PolarHBondContact OG1-N 2.75Å; E194-A196 VanDerWaalsContact C-N 3.32Å; E194-A196 PolarHBondContact O-N 3.14Å; E194-D197 PolarHBondContact O-N 3.23Å; E194-M198 WeakPolarHBondContact O-CG 3.46Å; E194-M198 PolarHBondContact O-N 3.09Å; E194-M198 VanDerWaalsContact O-N 3.09Å
195	Y	98.4	Very high	96.3	Very high	0 Å²	0	64 Å²	64	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.4	-44	173.9	178.4	-109.3	0	0	0	112	F164 T178 T191 L192 G193 D197 M198 V199 F208 A210 G211 M213 I271	F164-Y195 HydrophobicContact CE2-CD1 4.46Å; F164-Y195 HydrophobicContact CE2-CE1 4.49Å; T178-Y195 HydrophobicContact CG2-CD2 3.4Å; T178-Y195 HydrophobicContact CG2-CE2 3.72Å; T178-Y195 HydrophobicContact CG2-CG 4.04Å; T191-Y195 PolarHBondContact O-N 2.99Å; L192-Y195 HydrophobicContact CD1-CD1 4.06Å; L192-Y195 PolarHBondContact O-N 2.71Å; G193-Y195 PolarHBondContact O-N 3.03Å; Y195-D197 VanDerWaalsContact C-N 3.31Å; Y195-D197 PolarHBondContact O-N 3.44Å; Y195-M198 HydrophobicContact CD2-CE 4.27Å; Y195-M198 PolarHBondContact O-N 3.2Å; Y195-V199 HydrophobicContact CD1-CG2 4.02Å; Y195-V199 HydrophobicContact CD2-CG2 4.31Å; Y195-V199 HydrophobicContact CE1-CG2 3.54Å; Y195-V199 HydrophobicContact CE2-CG2 3.88Å; Y195-V199 HydrophobicContact CG-CG2 4.4Å; Y195-V199 VanDerWaalsContact CZ-CG2 3.48Å; Y195-V199 WeakPolarHBondContact O-CG2 3.39Å; Y195-V199 PolarHBondContact O-N 3.35Å; Y195-F208 WeakPolarHBondContact OH-CE2 3.46Å; Y195-F208 VanDerWaalsContact OH-CZ 3.25Å; Y195-F208 WeakPolarHBondContact OH-CZ 3.44Å; Y195-A210 HydrophobicContact CD2-CB 4.29Å; Y195-A210 HydrophobicContact CE2-CB 3.89Å; Y195-G211 VanDerWaalsContact CE2-O 3.32Å; Y195-G211 WeakPolarHBondContact CE2-O 3.42Å; Y195-G211 PolarHBondContact OH-O 3.05Å; Y195-M213 HydrophobicContact CD1-CB 4.47Å; Y195-M213 HydrophobicContact CE1-CB 3.78Å; Y195-M213 HydrophobicContact CE1-CG 4.37Å; Y195-M213 PolarHBondContact OH-N 2.7Å; Y195-I271 HydrophobicContact CE1-CB 4.42Å; Y195-I271 HydrophobicContact CE1-CD1 3.91Å
196	A	97.8	Very high	96.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-39	-179.4	0	0	0	0	0	112	F164 A168 L192 G193 E194 V199 R200	F164-A196 HydrophobicContact CE2-CB 3.7Å; F164-A196 HydrophobicContact CZ-CB 3.61Å; A168-A196 HydrophobicContact CB-CB 3.65Å; L192-A196 VanDerWaalsContact O-CB 3.23Å; L192-A196 WeakPolarHBondContact O-CB 3.32Å; L192-A196 PolarHBondContact O-N 2.87Å; G193-A196 WeakPolarHBondContact O-CB 3.32Å; G193-A196 PolarHBondContact O-N 3.43Å; G193-A196 VanDerWaalsContact O-N 3.14Å; E194-A196 VanDerWaalsContact C-N 3.32Å; E194-A196 PolarHBondContact O-N 3.14Å; A196-V199 PolarHBondContact O-N 2.96Å; A196-R200 WeakPolarHBondContact O-CG 3.5Å; A196-R200 PolarHBondContact O-N 2.96Å
197	D	97.5	Very high	96.5	Very high	100 Å²	100	54 Å²	54	54%	0.535	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-41.9	174.6	-69.6	-15.7	0	0	0	111.7	G193 E194 Y195 V199 R200 A201	G193-D197 PolarHBondContact O-N 3.01Å; E194-D197 PolarHBondContact O-N 3.23Å; Y195-D197 VanDerWaalsContact C-N 3.31Å; Y195-D197 PolarHBondContact O-N 3.44Å; D197-V199 PolarHBondContact O-N 3.23Å; D197-R200 PolarHBondContact O-N 2.8Å; D197-R200 IonicContact OD1-NH1 3.21Å; D197-R200 PolarHBondContact OD1-NH1 2.96Å; D197-A201 WeakPolarHBondContact O-CB 3.36Å; D197-A201 PolarHBondContact O-N 3.3Å
198	M	97.1	Very high	96.5	Very high	78 Å²	78	50.1 Å²	50.1	38%	0.384	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-40.6	174.1	-67.8	-170.4	-71.2	0	0	112.4	E194 Y195 S202 A210	E194-M198 WeakPolarHBondContact O-CG 3.46Å; E194-M198 PolarHBondContact O-N 3.09Å; E194-M198 VanDerWaalsContact O-N 3.09Å; Y195-M198 HydrophobicContact CD2-CE 4.27Å; Y195-M198 PolarHBondContact O-N 3.2Å; M198-S202 WeakPolarHBondContact O-CB 3.44Å; M198-S202 PolarHBondContact O-N 3.06Å; M198-S202 PolarHBondContact O-OG 3.43Å; M198-A210 HydrophobicContact CB-CB 3.6Å
199	V	97.3	Very high	96.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-52	176.2	168.1	0	0	0	0	110	F164 Y195 A196 D197 A201 S202 Y203 F208 A210 V339	F164-V199 HydrophobicContact CE1-CG1 4.01Å; F164-V199 HydrophobicContact CE2-CB 4.23Å; F164-V199 HydrophobicContact CE2-CG1 4.23Å; F164-V199 HydrophobicContact CE2-CG2 4.32Å; F164-V199 HydrophobicContact CZ-CB 3.76Å; F164-V199 HydrophobicContact CZ-CG1 3.63Å; F164-V199 HydrophobicContact CZ-CG2 4.35Å; Y195-V199 HydrophobicContact CD1-CG2 4.02Å; Y195-V199 HydrophobicContact CD2-CG2 4.31Å; Y195-V199 HydrophobicContact CE1-CG2 3.54Å; Y195-V199 HydrophobicContact CE2-CG2 3.88Å; Y195-V199 HydrophobicContact CG-CG2 4.4Å; Y195-V199 VanDerWaalsContact CZ-CG2 3.48Å; Y195-V199 WeakPolarHBondContact O-CG2 3.39Å; Y195-V199 PolarHBondContact O-N 3.35Å; A196-V199 PolarHBondContact O-N 2.96Å; D197-V199 PolarHBondContact O-N 3.23Å; V199-A201 PolarHBondContact O-N 3.43Å; V199-S202 CarbonylContact O-C 3.5Å; V199-S202 PolarHBondContact O-N 2.91Å; V199-S202 PolarHBondContact O-OG 3.36Å; V199-Y203 WeakPolarHBondContact O-CB 3.46Å; V199-Y203 PolarHBondContact O-N 3.03Å; V199-F208 HydrophobicContact CB-CD2 4.5Å; V199-F208 HydrophobicContact CB-CG 4.42Å; V199-F208 HydrophobicContact CG1-CB 4.22Å; V199-F208 HydrophobicContact CG1-CD1 3.76Å; V199-F208 HydrophobicContact CG1-CD2 4.39Å; V199-F208 HydrophobicContact CG1-CE1 4.18Å; V199-F208 HydrophobicContact CG1-CG 3.88Å; V199-F208 HydrophobicContact CG2-CD1 4.46Å; V199-F208 HydrophobicContact CG2-CD2 3.9Å; V199-F208 HydrophobicContact CG2-CE1 4.4Å; V199-F208 HydrophobicContact CG2-CE2 3.83Å; V199-F208 HydrophobicContact CG2-CG 4.23Å; V199-F208 HydrophobicContact CG2-CZ 4.11Å; V199-A210 HydrophobicContact CG2-CB 3.79Å; V199-V339 HydrophobicContact CG1-CG1 3.91Å
200	R	95.6	Very high	96.3	Very high	86 Å²	86	47 Å²	47	33%	0.325	25%	0.248	S	C	.	.	H	α-helix	trans	-61.9	-45.2	-179.6	-68.7	180	-163.3	112.9	-2.4	112	E165 A196 D197 S202 Y203	E165-R200 IonicContact OE1-NE 3.62Å; E165-R200 IonicContact OE1-NH2 3.43Å; E165-R200 IonicContact OE2-CZ 3.63Å; E165-R200 IonicContact OE2-NE 3.89Å; E165-R200 IonicContact OE2-NH2 3.77Å; E165-R200 PolarHBondContact OE2-NH2 3.47Å; A196-R200 WeakPolarHBondContact O-CG 3.5Å; A196-R200 PolarHBondContact O-N 2.96Å; D197-R200 PolarHBondContact O-N 2.8Å; D197-R200 IonicContact OD1-NH1 3.21Å; D197-R200 PolarHBondContact OD1-NH1 2.96Å; R200-S202 PolarHBondContact O-N 3.49Å; R200-Y203 PolarHBondContact O-N 3.29Å
201	A	95.3	Very high	96.2	Very high	92 Å²	92	46.1 Å²	46.1	76%	0.76	24%	0.243	S	C	*	.	H	α-helix	trans	-64.5	-20.8	-179.7	0	0	0	0	0	113.9	D197 V199	D197-A201 WeakPolarHBondContact O-CB 3.36Å; D197-A201 PolarHBondContact O-N 3.3Å; V199-A201 PolarHBondContact O-N 3.43Å
202	S	95	Very high	96.2	Very high	32 Å²	32	45 Å²	45	22%	0.224	24%	0.237	C	C	.	.	H	α-helix	trans	-117.7	1.7	-177.4	66.9	0	0	0	0	114.5	M198 V199 R200 F208 R209 A210	M198-S202 WeakPolarHBondContact O-CB 3.44Å; M198-S202 PolarHBondContact O-N 3.06Å; M198-S202 PolarHBondContact O-OG 3.43Å; V199-S202 CarbonylContact O-C 3.5Å; V199-S202 PolarHBondContact O-N 2.91Å; V199-S202 PolarHBondContact O-OG 3.36Å; R200-S202 PolarHBondContact O-N 3.49Å; S202-F208 WeakPolarHBondContact O-CA 3.23Å; S202-R209 PolarHBondContact OG-N 2.86Å; S202-A210 PolarHBondContact OG-N 2.84Å
203	Y	95.3	Very high	96.2	Very high	25 Å²	25	45.1 Å²	45.1	10%	0.098	24%	0.237	C	C	.	.			trans	-68.2	134.6	177.1	-174.3	-87.5	0	0	0	110	V199 R200 G206 T207 F208 V339 H340 D343 A426	V199-Y203 WeakPolarHBondContact O-CB 3.46Å; V199-Y203 PolarHBondContact O-N 3.03Å; R200-Y203 PolarHBondContact O-N 3.29Å; Y203-G206 WeakPolarHBondContact OH-CA 3.22Å; Y203-G206 PolarHBondContact OH-N 3.09Å; Y203-T207 CarbonylContact C-O 3.55Å; Y203-T207 VanDerWaalsContact CA-O 3.32Å; Y203-T207 WeakPolarHBondContact CA-O 3.36Å; Y203-F208 HydrophobicContact CD2-CB 4.34Å; Y203-V339 HydrophobicContact CD2-CG1 4.11Å; Y203-V339 HydrophobicContact CE2-CB 4.33Å; Y203-V339 HydrophobicContact CE2-CG1 4.11Å; Y203-V339 WeakPolarHBondContact CE2-O 3.37Å; Y203-V339 VanDerWaalsContact CZ-O 3.27Å; Y203-V339 PolarHBondContact OH-O 2.81Å; Y203-H340 WeakPolarHBondContact CE1-O 3.46Å; Y203-H340 VanDerWaalsContact CZ-C 3.5Å; Y203-H340 VanDerWaalsContact CZ-O 3.32Å; Y203-D343 HydrophobicContact CE1-CB 4.14Å; Y203-D343 WeakPolarHBondContact CE1-OD2 3.37Å; Y203-A426 HydrophobicContact CE2-CB 4.23Å
204	N	93	Very high	96.2	Very high	108 Å²	108	47.7 Å²	47.7	58%	0.578	25%	0.249	S	C	*	.	B	Isolated β-bridge	trans	-154.1	118.5	173.6	-177.5	62.5	0	0	0	109.7	G206 T207	N204-G206 PolarHBondContact O-N 3.34Å; N204-G206 VanDerWaalsContact O-N 3.07Å; N204-T207 PolarHBondContact N-O 3.34Å; N204-T207 PolarHBondContact O-N 3.47Å; N204-T207 VanDerWaalsContact O-N 3.13Å; N204-T207 PolarHBondContact O-OG1 3.26Å
205	E	91.8	Very high	96.1	Very high	129 Å²	129	44.9 Å²	44.9	60%	0.603	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	33.6	169	-68.3	-65.7	172.2	0	0	115.2	R349	E205-R349 PolarHBondContact O-NH1 2.84Å; E205-R349 PolarHBondContact O-NH2 2.83Å; E205-R349 IonicContact OE2-NH2 3.12Å
206	G	94.1	Very high	96.1	Very high	1 Å²	1	45 Å²	45	1%	0.01	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.7	5.6	177.1	0	0	0	0	0	115.7	Y203 N204 S425 A426	Y203-G206 WeakPolarHBondContact OH-CA 3.22Å; Y203-G206 PolarHBondContact OH-N 3.09Å; N204-G206 PolarHBondContact O-N 3.34Å; N204-G206 VanDerWaalsContact O-N 3.07Å; G206-S425 CarbonylContact O-C 3.59Å; G206-S425 WeakPolarHBondContact O-CA 3.47Å; G206-S425 VanDerWaalsContact O-CB 3.29Å; G206-S425 WeakPolarHBondContact O-CB 3.29Å; G206-A426 WeakPolarHBondContact O-CB 3.34Å; G206-A426 PolarHBondContact O-N 3.02Å
207	T	96.1	Very high	96.1	Very high	32 Å²	32	45.3 Å²	45.3	20%	0.196	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-131.9	161.5	169.9	59.9	0	0	0	0	110.2	Y203 N204 P273	Y203-T207 CarbonylContact C-O 3.55Å; Y203-T207 VanDerWaalsContact CA-O 3.32Å; Y203-T207 WeakPolarHBondContact CA-O 3.36Å; N204-T207 PolarHBondContact N-O 3.34Å; N204-T207 PolarHBondContact O-N 3.47Å; N204-T207 VanDerWaalsContact O-N 3.13Å; N204-T207 PolarHBondContact O-OG1 3.26Å; T207-P273 WeakPolarHBondContact CA-O 3.42Å; T207-P273 WeakPolarHBondContact CB-O 3.43Å
208	F	96.5	Very high	96.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.			trans	-136.9	167.1	172.6	63.7	-105.2	0	0	0	111.5	Y195 V199 S202 Y203 A210 G211 I271 R272 P273 Q276 V339 A426	Y195-F208 WeakPolarHBondContact OH-CE2 3.46Å; Y195-F208 VanDerWaalsContact OH-CZ 3.25Å; Y195-F208 WeakPolarHBondContact OH-CZ 3.44Å; V199-F208 HydrophobicContact CB-CD2 4.5Å; V199-F208 HydrophobicContact CB-CG 4.42Å; V199-F208 HydrophobicContact CG1-CB 4.22Å; V199-F208 HydrophobicContact CG1-CD1 3.76Å; V199-F208 HydrophobicContact CG1-CD2 4.39Å; V199-F208 HydrophobicContact CG1-CE1 4.18Å; V199-F208 HydrophobicContact CG1-CG 3.88Å; V199-F208 HydrophobicContact CG2-CD1 4.46Å; V199-F208 HydrophobicContact CG2-CD2 3.9Å; V199-F208 HydrophobicContact CG2-CE1 4.4Å; V199-F208 HydrophobicContact CG2-CE2 3.83Å; V199-F208 HydrophobicContact CG2-CG 4.23Å; V199-F208 HydrophobicContact CG2-CZ 4.11Å; S202-F208 WeakPolarHBondContact O-CA 3.23Å; Y203-F208 HydrophobicContact CD2-CB 4.34Å; F208-A210 HydrophobicContact CD2-CB 3.96Å; F208-A210 HydrophobicContact CE2-CB 4.21Å; F208-G211 VanDerWaalsContact CE2-O 3.29Å; F208-G211 WeakPolarHBondContact CE2-O 3.49Å; F208-I271 HydrophobicContact CE1-CG2 3.95Å; F208-I271 HydrophobicContact CZ-CG2 3.87Å; F208-R272 WeakPolarHBondContact CE1-O 3.45Å; F208-P273 HydrophobicContact CD1-CB 4.42Å; F208-P273 HydrophobicContact CD2-CB 3.87Å; F208-P273 HydrophobicContact CE1-CB 4.17Å; F208-P273 HydrophobicContact CE2-CB 3.57Å; F208-P273 HydrophobicContact CG-CB 4.28Å; F208-P273 VanDerWaalsContact CZ-CA 3.46Å; F208-P273 HydrophobicContact CZ-CB 3.72Å; F208-Q276 PolarHBondContact O-NE2 3.49Å; F208-V339 HydrophobicContact CE1-CG2 4.43Å; F208-A426 HydrophobicContact CD1-CB 3.55Å; F208-A426 HydrophobicContact CE1-CB 3.75Å
209	R	95.9	Very high	96	Very high	116 Å²	116	37 Å²	37	44%	0.438	20%	0.204	S	C	.	.	S	Bend	trans	-106	-9	-173.8	-53.5	-61.7	-170.8	160.5	1.8	116.1	L181 S202 G211 Y277 V278	L181-R209 HydrophobicContact CD1-CB 4.32Å; L181-R209 WeakPolarHBondContact CD1-O 3.07Å; S202-R209 PolarHBondContact OG-N 2.86Å; R209-G211 PolarHBondContact O-N 3.39Å; R209-Y277 PolarHBondContact NH1-O 3.13Å; R209-Y277 PolarHBondContact NH2-O 3.23Å; R209-Y277 VanDerWaalsContact NH2-O 3.13Å; R209-V278 VanDerWaalsContact NH1-CA 3.34Å; R209-V278 VanDerWaalsContact NH1-CG2 3.32Å
210	A	94	Very high	95.7	Very high	18 Å²	18	39.2 Å²	39.2	15%	0.149	22%	0.216	C	C	.	.	S	Bend	trans	-63.1	-2	179	0	0	0	0	0	116.1	Y195 M198 V199 S202 F208	Y195-A210 HydrophobicContact CD2-CB 4.29Å; Y195-A210 HydrophobicContact CE2-CB 3.89Å; M198-A210 HydrophobicContact CB-CB 3.6Å; V199-A210 HydrophobicContact CG2-CB 3.79Å; S202-A210 PolarHBondContact OG-N 2.84Å; F208-A210 HydrophobicContact CD2-CB 3.96Å; F208-A210 HydrophobicContact CE2-CB 4.21Å
211	G	97.1	Very high	95.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.01	22%	0.219	C	C	.	.			trans	73.9	161.4	-176.4	0	0	0	0	0	114	G179 Y195 F208 R209	G179-G211 VanDerWaalsContact O-CA 3.31Å; G179-G211 WeakPolarHBondContact O-CA 3.08Å; Y195-G211 VanDerWaalsContact CE2-O 3.32Å; Y195-G211 WeakPolarHBondContact CE2-O 3.42Å; Y195-G211 PolarHBondContact OH-O 3.05Å; F208-G211 VanDerWaalsContact CE2-O 3.29Å; F208-G211 WeakPolarHBondContact CE2-O 3.49Å; R209-G211 PolarHBondContact O-N 3.39Å
212	P	98.2	Very high	94.5	Very high	7 Å²	7	37 Å²	37	5%	0.045	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-67	141.6	-176.1	28.7	-35.3	0	0	0	111.9	T178 G179 I271 F310	T178-P212 CarbonylContact C-O 3.48Å; T178-P212 VanDerWaalsContact CA-O 3.26Å; T178-P212 WeakPolarHBondContact CA-O 3.28Å; G179-P212 PolarHBondContact N-O 3.35Å; P212-I271 CarbonylContact C-O 3.44Å; P212-I271 WeakPolarHBondContact CA-O 3.06Å; P212-F310 HydrophobicContact CG-CZ 4.13Å
213	M	98.3	Very high	93.7	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.7	162.6	-165.8	-169.2	79.3	0	0	108.3	V176 L192 Y195 I216 M269 I271	V176-M213 HydrophobicContact CB-CG 4.1Å; V176-M213 HydrophobicContact CB-SD 4.14Å; V176-M213 HydrophobicContact CG1-CG 4.5Å; V176-M213 HydrophobicContact CG1-SD 3.91Å; V176-M213 HydrophobicContact CG2-CG 4.35Å; V176-M213 HydrophobicContact CG2-SD 4.44Å; L192-M213 HydrophobicContact CD1-SD 3.92Å; Y195-M213 HydrophobicContact CD1-CB 4.47Å; Y195-M213 HydrophobicContact CE1-CB 3.78Å; Y195-M213 HydrophobicContact CE1-CG 4.37Å; Y195-M213 PolarHBondContact OH-N 2.7Å; M213-I216 HydrophobicContact CE-CG1 4.34Å; M213-I216 HydrophobicContact CE-CG2 4.47Å; M213-M269 HydrophobicContact CE-CE 4.13Å; M213-I271 HydrophobicContact CB-CB 3.83Å; M213-I271 HydrophobicContact CB-CD1 4.31Å; M213-I271 HydrophobicContact CB-CG1 4.24Å; M213-I271 HydrophobicContact CE-CD1 4.04Å; M213-I271 HydrophobicContact CE-CG1 3.97Å; M213-I271 PolarHBondContact N-O 3.31Å; M213-I271 PolarHBondContact O-N 2.9Å; M213-I271 HydrophobicContact SD-CD1 3.79Å; M213-I271 HydrophobicContact SD-CG1 4.28Å
214	L	97.1	Very high	93.1	Very high	64 Å²	64	52.4 Å²	52.4	34%	0.335	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	163.5	175.1	-56.9	-171.6	0	0	0	110.7	K177 V187	K177-L214 HydrophobicContact CB-CB 4.26Å; K177-L214 HydrophobicContact CB-CD1 3.96Å; K177-L214 HydrophobicContact CB-CG 4.28Å; K177-L214 PolarHBondContact O-N 3.36Å; V187-L214 HydrophobicContact CG1-CD1 3.97Å; V187-L214 HydrophobicContact CG2-CD1 4.22Å
215	A	96.9	Very high	92.7	Very high	52 Å²	52	51.9 Å²	51.9	43%	0.43	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	139	-174.6	0	0	0	0	0	112.2	I268 M269 W270	A215-I268 HydrophobicContact CB-CD1 4.48Å; A215-M269 CarbonylContact C-O 3.58Å; A215-M269 VanDerWaalsContact CA-O 3.32Å; A215-M269 WeakPolarHBondContact CA-O 3.23Å; A215-W270 HydrophobicContact CB-CB 4.32Å
216	I	97.7	Very high	92.8	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.7	166.4	66.9	166.9	0	0	0	110.4	F167 L174 V176 M213 L218 S226 I268 M269	F167-I216 HydrophobicContact CE1-CD1 4.42Å; L174-I216 HydrophobicContact CD2-CD1 3.66Å; V176-I216 HydrophobicContact CG1-CG2 4.34Å; M213-I216 HydrophobicContact CE-CG1 4.34Å; M213-I216 HydrophobicContact CE-CG2 4.47Å; I216-L218 HydrophobicContact CD1-CD2 4.09Å; I216-L218 HydrophobicContact CG1-CD2 4.15Å; I216-S226 CarbonylContact C-O 3.49Å; I216-S226 WeakPolarHBondContact CA-O 3.41Å; I216-I268 CarbonylContact O-C 3.48Å; I216-I268 WeakPolarHBondContact O-CA 3.39Å; I216-M269 HydrophobicContact CD1-CE 3.83Å; I216-M269 HydrophobicContact CG1-CB 4.13Å; I216-M269 HydrophobicContact CG1-CE 4.26Å; I216-M269 PolarHBondContact N-O 3.5Å; I216-M269 PolarHBondContact O-N 3.24Å
217	T	97.5	Very high	92.8	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.043	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	146.3	169.1	-177	0	0	0	0	111.2	V219 D220 T221 E225 S226 G228 F230	T217-V219 WeakPolarHBondContact OG1-CG2 3.32Å; T217-D220 WeakPolarHBondContact CG2-O 3.38Å; T217-D220 PolarHBondContact OG1-O 2.96Å; T217-T221 HydrophobicContact CG2-CG2 3.75Å; T217-E225 HydrophobicContact CG2-CB 4.35Å; T217-S226 WeakPolarHBondContact CG2-O 3.15Å; T217-S226 PolarHBondContact N-O 3.33Å; T217-G228 PolarHBondContact O-N 2.86Å; T217-G228 VanDerWaalsContact O-N 3.13Å; T217-F230 WeakPolarHBondContact O-CE2 3.48Å
218	L	98	Very high	92.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-108.8	-0.8	179.9	-56.4	-175.5	0	0	0	114.6	F167 I216 G228 F230 F233 L234 P267 M269 V430	F167-L218 HydrophobicContact CE1-CD2 3.97Å; F167-L218 HydrophobicContact CZ-CD1 4.48Å; F167-L218 HydrophobicContact CZ-CD2 3.63Å; I216-L218 HydrophobicContact CD1-CD2 4.09Å; I216-L218 HydrophobicContact CG1-CD2 4.15Å; L218-G228 CarbonylContact C-O 3.59Å; L218-G228 WeakPolarHBondContact CA-O 3.27Å; L218-F230 HydrophobicContact CB-CD2 4.27Å; L218-F230 HydrophobicContact CD2-CD2 3.73Å; L218-F230 HydrophobicContact CD2-CE2 3.92Å; L218-F230 PolarHBondContact O-N 3.31Å; L218-F230 VanDerWaalsContact O-N 3.16Å; L218-F233 HydrophobicContact CD1-CD1 3.7Å; L218-F233 HydrophobicContact CD1-CE1 3.57Å; L218-L234 HydrophobicContact CB-CD2 4.33Å; L218-P267 HydrophobicContact CB-CB 4.47Å; L218-P267 WeakPolarHBondContact CB-O 3.41Å; L218-P267 HydrophobicContact CD1-CB 4.16Å; L218-P267 PolarHBondContact N-O 3.03Å; L218-M269 HydrophobicContact CD1-CB 4.11Å; L218-M269 HydrophobicContact CD2-CB 4.18Å; L218-M269 HydrophobicContact CG-CB 4.32Å; L218-V430 HydrophobicContact CD1-CG1 4Å
219	V	95.2	Very high	92.8	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.012	26%	0.26	C	S	.	.	S	Bend	trans	-113.2	-45.7	-168.8	-74.7	0	0	0	0	113.9	T217 G228 F229 L234 W249 R260 R261 G266	T217-V219 WeakPolarHBondContact OG1-CG2 3.32Å; V219-G228 PolarHBondContact N-O 3.16Å; V219-F229 WeakPolarHBondContact O-CB 3.41Å; V219-F229 WeakPolarHBondContact O-CD2 3.49Å; V219-F229 WeakPolarHBondContact O-CG 3.43Å; V219-L234 HydrophobicContact CG1-CD1 4.29Å; V219-L234 HydrophobicContact CG1-CD2 4.46Å; V219-W249 HydrophobicContact CG1-CH2 3.7Å; V219-W249 HydrophobicContact CG1-CZ3 3.82Å; V219-R260 VanDerWaalsContact CB-O 3.27Å; V219-R260 WeakPolarHBondContact CB-O 3.48Å; V219-R260 VanDerWaalsContact CG1-O 3.32Å; V219-R260 WeakPolarHBondContact CG1-O 3.42Å; V219-R261 WeakPolarHBondContact O-CA 3.28Å; V219-G266 WeakPolarHBondContact CG1-O 3.33Å
220	D	91.2	Very high	92.9	Very high	48 Å²	48	44.8 Å²	44.8	26%	0.257	24%	0.241	S	C	.	.			trans	-177.8	157	163.3	-139.4	-34.5	0	0	0	105.9	T217 R261	T217-D220 WeakPolarHBondContact CG2-O 3.38Å; T217-D220 PolarHBondContact OG1-O 2.96Å; D220-R261 HydrophobicContact CB-CB 4.44Å; D220-R261 IonicContact OD2-NH1 3.22Å; D220-R261 PolarHBondContact OD2-NH1 2.76Å
221	T	83.1	Confident	93.1	Very high	65 Å²	65	46.1 Å²	46.1	40%	0.399	25%	0.249	S	C	.	.			trans	-81.1	126.9	176.8	51.3	0	0	0	0	110.9	T217	T217-T221 HydrophobicContact CG2-CG2 3.75Å
222	K	82	Confident	93.1	Very high	65 Å²	65	47.6 Å²	47.6	28%	0.283	26%	0.263	S	S	.	.			trans	-111.5	135.2	167.9	-68.3	170	-179.4	163	0	108.7	E224 E225 D262 S263 N264	K222-E224 PolarHBondContact O-N 3.45Å; K222-E225 PolarHBondContact N-OE2 2.82Å; K222-E225 WeakPolarHBondContact O-CB 3.24Å; K222-E225 WeakPolarHBondContact O-CG 3.42Å; K222-E225 PolarHBondContact O-N 3.39Å; K222-D262 PolarHBondContact NZ-O 3.46Å; K222-S263 PolarHBondContact NZ-O 3.49Å; K222-N264 VanDerWaalsContact CD-OD1 3.29Å; K222-N264 WeakPolarHBondContact CD-OD1 3.5Å; K222-N264 WeakPolarHBondContact CE-OD1 3.43Å; K222-N264 PolarHBondContact NZ-OD1 3.17Å
223	Q	79.8	Confident	93.1	Very high	199 Å²	199	47.2 Å²	47.2	93%	0.93	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	-126.4	176.7	-54.2	175.3	-1.1	0	0	112.1	E225	Q223-E225 VanDerWaalsContact C-N 3.33Å
224	E	81.5	Confident	93.1	Very high	182 Å²	182	47.1 Å²	47.1	85%	0.85	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	9.8	-175.4	-59	-173.1	171.1	0	0	114.3	K222	K222-E224 PolarHBondContact O-N 3.45Å
225	E	85.9	Confident	93.2	Very high	97 Å²	97	47.6 Å²	47.6	45%	0.453	26%	0.264	S	S	.	.			trans	-62.6	142.7	177.3	-68.9	174.3	163.6	0	0	111.8	T217 K222 Q223	T217-E225 HydrophobicContact CG2-CB 4.35Å; K222-E225 PolarHBondContact N-OE2 2.82Å; K222-E225 WeakPolarHBondContact O-CB 3.24Å; K222-E225 WeakPolarHBondContact O-CG 3.42Å; K222-E225 PolarHBondContact O-N 3.39Å; Q223-E225 VanDerWaalsContact C-N 3.33Å
226	S	92	Very high	93.2	Very high	30 Å²	30	45.6 Å²	45.6	21%	0.21	25%	0.246	C	C	.	.			trans	-94	153.9	169.1	-56.1	0	0	0	0	109.7	I216 T217	I216-S226 CarbonylContact C-O 3.49Å; I216-S226 WeakPolarHBondContact CA-O 3.41Å; T217-S226 WeakPolarHBondContact CG2-O 3.15Å; T217-S226 PolarHBondContact N-O 3.33Å
227	G	95.8	Very high	93.3	Very high	22 Å²	22	45.5 Å²	45.5	23%	0.227	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	123.1	-139.9	179.5	0	0	0	0	0	112.6
228	G	95.5	Very high	93.3	Very high	13 Å²	13	47.1 Å²	47.1	13%	0.134	25%	0.252	C	S	.	.			trans	167	-169.5	-177.4	0	0	0	0	0	112.8	T217 L218 V219 F230	T217-G228 PolarHBondContact O-N 2.86Å; T217-G228 VanDerWaalsContact O-N 3.13Å; L218-G228 CarbonylContact C-O 3.59Å; L218-G228 WeakPolarHBondContact CA-O 3.27Å; V219-G228 PolarHBondContact N-O 3.16Å; G228-F230 WeakPolarHBondContact O-CD2 3.38Å; G228-F230 WeakPolarHBondContact O-CE2 3.4Å
229	F	96.9	Very high	93.3	Very high	53 Å²	53	56.4 Å²	56.4	23%	0.232	29%	0.288	C	S	.	.			trans	-92.7	115.4	176.3	178.8	-129.7	0	0	0	111.3	V219 P231 L234 R260 R261	V219-F229 WeakPolarHBondContact O-CB 3.41Å; V219-F229 WeakPolarHBondContact O-CD2 3.49Å; V219-F229 WeakPolarHBondContact O-CG 3.43Å; F229-P231 VanDerWaalsContact C-CD 3.46Å; F229-P231 HydrophobicContact CD1-CG 4.12Å; F229-P231 HydrophobicContact CE1-CB 3.86Å; F229-P231 HydrophobicContact CE1-CG 3.76Å; F229-P231 HydrophobicContact CE2-CB 4.24Å; F229-P231 HydrophobicContact CZ-CB 3.7Å; F229-P231 HydrophobicContact CZ-CG 4.12Å; F229-P231 WeakPolarHBondContact O-CD 3.42Å; F229-L234 HydrophobicContact CD2-CD1 4.26Å; F229-L234 HydrophobicContact CE2-CD1 3.83Å; F229-R260 HydrophobicContact CE2-CB 4.32Å; F229-R261 HydrophobicContact CD1-CG 4.18Å; F229-R261 VanDerWaalsContact CD1-NH2 3.31Å; F229-R261 HydrophobicContact CD2-CG 3.82Å; F229-R261 HydrophobicContact CE1-CG 4.15Å; F229-R261 VanDerWaalsContact CE1-NE 3.33Å; F229-R261 HydrophobicContact CE2-CG 3.76Å; F229-R261 HydrophobicContact CG-CG 3.99Å; F229-R261 HydrophobicContact CZ-CG 3.91Å
230	F	97.7	Very high	93.4	Very high	11 Å²	11	56.6 Å²	56.6	5%	0.048	29%	0.289	C	S	.	.			trans	-116.5	70.4	-177	-55.3	-91.2	0	0	0	111.9	F167 Y171 L174 T217 L218 G228 G232 F233 L234	F167-F230 HydrophobicContact CD1-CE1 4.46Å; F167-F230 AromaticContact CE1-CD1 3.81Å; F167-F230 HydrophobicContact CE1-CD1 3.81Å; F167-F230 HydrophobicContact CE1-CD2 4.3Å; F167-F230 AromaticContact CE1-CE1 3.9Å; F167-F230 HydrophobicContact CE1-CE1 3.9Å; F167-F230 HydrophobicContact CE1-CE2 4.35Å; F167-F230 HydrophobicContact CE1-CG 4.01Å; F167-F230 HydrophobicContact CE1-CZ 4.16Å; F167-F230 HydrophobicContact CZ-CG 4.4Å; Y171-F230 HydrophobicContact CD1-CD1 4.04Å; Y171-F230 AromaticContact CD1-CE1 3.92Å; Y171-F230 HydrophobicContact CD1-CE1 3.92Å; Y171-F230 HydrophobicContact CD2-CD1 4.04Å; Y171-F230 HydrophobicContact CD2-CE1 4.17Å; Y171-F230 AromaticContact CE1-CD1 3.74Å; Y171-F230 HydrophobicContact CE1-CD1 3.74Å; Y171-F230 HydrophobicContact CE1-CE1 4.1Å; Y171-F230 AromaticContact CE2-CD1 3.73Å; Y171-F230 HydrophobicContact CE2-CD1 3.73Å; Y171-F230 HydrophobicContact CE2-CE1 4.32Å; Y171-F230 HydrophobicContact CG-CD1 4.2Å; Y171-F230 AromaticContact CG-CE1 3.98Å; Y171-F230 HydrophobicContact CG-CE1 3.98Å; Y171-F230 AromaticContact CZ-CD1 3.59Å; L174-F230 HydrophobicContact CD1-CZ 3.99Å; L174-F230 HydrophobicContact CD2-CE1 4.21Å; L174-F230 HydrophobicContact CD2-CZ 3.81Å; T217-F230 WeakPolarHBondContact O-CE2 3.48Å; L218-F230 HydrophobicContact CB-CD2 4.27Å; L218-F230 HydrophobicContact CD2-CD2 3.73Å; L218-F230 HydrophobicContact CD2-CE2 3.92Å; L218-F230 PolarHBondContact O-N 3.31Å; L218-F230 VanDerWaalsContact O-N 3.16Å; G228-F230 WeakPolarHBondContact O-CD2 3.38Å; G228-F230 WeakPolarHBondContact O-CE2 3.4Å; F230-G232 PolarHBondContact O-N 2.97Å; F230-G232 VanDerWaalsContact O-N 3.17Å; F230-F233 HydrophobicContact CB-CB 4.06Å; F230-F233 PolarHBondContact O-N 2.84Å; F230-L234 WeakPolarHBondContact O-CG 3.4Å; F230-L234 PolarHBondContact O-N 3.27Å
231	P	97.1	Very high	93.7	Very high	47 Å²	47	56 Å²	56	31%	0.305	29%	0.288	S	S	.	.	H	α-helix	trans	-59.8	-34.2	-173.8	23.5	-33.4	0	0	0	113.1	F229 L234 N235	F229-P231 VanDerWaalsContact C-CD 3.46Å; F229-P231 HydrophobicContact CD1-CG 4.12Å; F229-P231 HydrophobicContact CE1-CB 3.86Å; F229-P231 HydrophobicContact CE1-CG 3.76Å; F229-P231 HydrophobicContact CE2-CB 4.24Å; F229-P231 HydrophobicContact CZ-CB 3.7Å; F229-P231 HydrophobicContact CZ-CG 4.12Å; F229-P231 WeakPolarHBondContact O-CD 3.42Å; P231-L234 PolarHBondContact O-N 3.02Å; P231-N235 PolarHBondContact O-N 2.93Å; P231-N235 PolarHBondContact O-ND2 3.02Å; P231-N235 PolarHBondContact O-OD1 3.09Å
232	G	97.9	Very high	94.4	Very high	31 Å²	31	53 Å²	53	32%	0.32	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-42.7	175.7	0	0	0	0	0	112.4	F230 N235 V236	F230-G232 PolarHBondContact O-N 2.97Å; F230-G232 VanDerWaalsContact O-N 3.17Å; G232-N235 WeakPolarHBondContact O-CB 3.46Å; G232-N235 PolarHBondContact O-N 3.05Å; G232-V236 PolarHBondContact O-N 3.47Å
233	F	98.4	Very high	95.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-74.3	-36.6	176.7	-173.8	-103.8	0	0	0	112.5	F163 Y166 F167 L218 F230 N235 V236 L237 V430	F163-F233 HydrophobicContact CB-CZ 4.37Å; F163-F233 AromaticContact CD1-CE2 3.5Å; F163-F233 HydrophobicContact CD1-CE2 3.5Å; F163-F233 AromaticContact CD1-CZ 3.56Å; F163-F233 HydrophobicContact CD1-CZ 3.56Å; F163-F233 HydrophobicContact CD2-CZ 4.2Å; F163-F233 AromaticContact CE1-CE2 3.87Å; F163-F233 HydrophobicContact CE1-CE2 3.87Å; F163-F233 AromaticContact CE1-CZ 3.76Å; F163-F233 HydrophobicContact CE1-CZ 3.76Å; F163-F233 HydrophobicContact CE2-CZ 4.38Å; F163-F233 HydrophobicContact CG-CE2 4.08Å; F163-F233 AromaticContact CG-CZ 3.79Å; F163-F233 HydrophobicContact CG-CZ 3.79Å; F163-F233 HydrophobicContact CZ-CZ 4.17Å; Y166-F233 AromaticContact CD1-CD2 3.59Å; Y166-F233 HydrophobicContact CD1-CD2 3.59Å; Y166-F233 HydrophobicContact CD1-CE2 4.14Å; Y166-F233 HydrophobicContact CE1-CB 3.9Å; Y166-F233 AromaticContact CE1-CD2 3.47Å; Y166-F233 HydrophobicContact CE1-CD2 3.47Å; Y166-F233 VanDerWaalsContact CE1-CD2 3.47Å; Y166-F233 HydrophobicContact CE1-CE2 4.44Å; Y166-F233 HydrophobicContact CE1-CG 4.1Å; Y166-F233 HydrophobicContact CG-CD2 4.31Å; F167-F233 HydrophobicContact CD2-CD2 4.33Å; F167-F233 HydrophobicContact CD2-CE2 4.3Å; F167-F233 HydrophobicContact CE2-CB 4.31Å; F167-F233 AromaticContact CE2-CD1 3.69Å; F167-F233 HydrophobicContact CE2-CD1 3.69Å; F167-F233 AromaticContact CE2-CD2 3.52Å; F167-F233 HydrophobicContact CE2-CD2 3.52Å; F167-F233 AromaticContact CE2-CE1 3.77Å; F167-F233 HydrophobicContact CE2-CE1 3.77Å; F167-F233 AromaticContact CE2-CE2 3.61Å; F167-F233 HydrophobicContact CE2-CE2 3.61Å; F167-F233 AromaticContact CE2-CG 3.54Å; F167-F233 HydrophobicContact CE2-CG 3.54Å; F167-F233 AromaticContact CE2-CZ 3.73Å; F167-F233 HydrophobicContact CE2-CZ 3.73Å; F167-F233 HydrophobicContact CZ-CB 4.09Å; F167-F233 AromaticContact CZ-CD1 3.73Å; F167-F233 HydrophobicContact CZ-CD1 3.73Å; F167-F233 HydrophobicContact CZ-CD2 4.15Å; F167-F233 HydrophobicContact CZ-CE1 4.16Å; F167-F233 AromaticContact CZ-CG 3.7Å; F167-F233 HydrophobicContact CZ-CG 3.7Å; L218-F233 HydrophobicContact CD1-CD1 3.7Å; L218-F233 HydrophobicContact CD1-CE1 3.57Å; F230-F233 HydrophobicContact CB-CB 4.06Å; F230-F233 PolarHBondContact O-N 2.84Å; F233-N235 VanDerWaalsContact C-N 3.26Å; F233-N235 PolarHBondContact O-N 3.06Å; F233-V236 HydrophobicContact CD2-CB 4.44Å; F233-V236 WeakPolarHBondContact O-CA 3.4Å; F233-V236 VanDerWaalsContact O-CB 3.27Å; F233-V236 WeakPolarHBondContact O-CB 3.43Å; F233-V236 PolarHBondContact O-N 2.98Å; F233-L237 HydrophobicContact CD1-CD1 4.32Å; F233-L237 HydrophobicContact CD1-CG 4.4Å; F233-L237 HydrophobicContact CE1-CD1 3.93Å; F233-L237 HydrophobicContact CE1-CD2 4.11Å; F233-L237 HydrophobicContact CE1-CG 4Å; F233-L237 HydrophobicContact CZ-CD2 4.08Å; F233-L237 HydrophobicContact CZ-CG 4.39Å; F233-L237 PolarHBondContact O-N 2.87Å; F233-L237 VanDerWaalsContact O-N 3.09Å; F233-V430 HydrophobicContact CE1-CG2 4.2Å; F233-V430 HydrophobicContact CZ-CG2 4.2Å
234	L	98.5	Very high	96.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-40.8	172.4	-63.8	179.3	0	0	0	111.2	L218 V219 F229 F230 P231 V236 L237 E238 W249 R260 P267	L218-L234 HydrophobicContact CB-CD2 4.33Å; V219-L234 HydrophobicContact CG1-CD1 4.29Å; V219-L234 HydrophobicContact CG1-CD2 4.46Å; F229-L234 HydrophobicContact CD2-CD1 4.26Å; F229-L234 HydrophobicContact CE2-CD1 3.83Å; F230-L234 WeakPolarHBondContact O-CG 3.4Å; F230-L234 PolarHBondContact O-N 3.27Å; P231-L234 PolarHBondContact O-N 3.02Å; L234-V236 VanDerWaalsContact C-N 3.26Å; L234-V236 PolarHBondContact O-N 2.84Å; L234-L237 PolarHBondContact O-N 2.94Å; L234-E238 WeakPolarHBondContact O-CG 3.41Å; L234-E238 PolarHBondContact O-N 2.87Å; L234-W249 HydrophobicContact CD1-CH2 4.17Å; L234-W249 HydrophobicContact CD1-CZ2 4.33Å; L234-W249 HydrophobicContact CD2-CH2 4.19Å; L234-W249 HydrophobicContact CD2-CZ2 4.38Å; L234-R260 HydrophobicContact CD1-CB 4.09Å; L234-P267 HydrophobicContact CD2-CG 4.2Å
235	N	98.4	Very high	96.9	Very high	74 Å²	74	38.2 Å²	38.2	40%	0.396	20%	0.2	S	C	.	.	H	α-helix	trans	-62	-32.7	172.8	-65.9	-14.2	0	0	0	112.3	P231 G232 F233 R239 R260	P231-N235 PolarHBondContact O-N 2.93Å; P231-N235 PolarHBondContact O-ND2 3.02Å; P231-N235 PolarHBondContact O-OD1 3.09Å; G232-N235 WeakPolarHBondContact O-CB 3.46Å; G232-N235 PolarHBondContact O-N 3.05Å; F233-N235 VanDerWaalsContact C-N 3.26Å; F233-N235 PolarHBondContact O-N 3.06Å; N235-R239 WeakPolarHBondContact O-CG 3.46Å; N235-R239 PolarHBondContact O-N 2.87Å; N235-R260 PolarHBondContact OD1-NH1 2.97Å
236	V	98.4	Very high	97.4	Very high	9 Å²	9	33.7 Å²	33.7	6%	0.055	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-46.1	174.9	168	0	0	0	0	110.6	L160 P161 Y166 G232 F233 L234 E238 R239	L160-V236 HydrophobicContact CD2-CG1 4.19Å; L160-V236 WeakPolarHBondContact CD2-O 3.4Å; P161-V236 VanDerWaalsContact CD-CG1 3.41Å; P161-V236 HydrophobicContact CG-CG1 3.71Å; Y166-V236 HydrophobicContact CE2-CG2 4.28Å; G232-V236 PolarHBondContact O-N 3.47Å; F233-V236 HydrophobicContact CD2-CB 4.44Å; F233-V236 WeakPolarHBondContact O-CA 3.4Å; F233-V236 VanDerWaalsContact O-CB 3.27Å; F233-V236 WeakPolarHBondContact O-CB 3.43Å; F233-V236 PolarHBondContact O-N 2.98Å; L234-V236 VanDerWaalsContact C-N 3.26Å; L234-V236 PolarHBondContact O-N 2.84Å; V236-E238 PolarHBondContact O-N 3.44Å; V236-R239 WeakPolarHBondContact O-CB 3.31Å; V236-R239 PolarHBondContact O-N 3.27Å
237	L	98.6	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-44.8	176.2	-61.6	177	0	0	0	111.3	F163 F233 L234 R239 S240 L243 M247 P267 V430 W432	F163-L237 HydrophobicContact CE1-CD2 4.37Å; F163-L237 HydrophobicContact CZ-CD2 3.87Å; F233-L237 HydrophobicContact CD1-CD1 4.32Å; F233-L237 HydrophobicContact CD1-CG 4.4Å; F233-L237 HydrophobicContact CE1-CD1 3.93Å; F233-L237 HydrophobicContact CE1-CD2 4.11Å; F233-L237 HydrophobicContact CE1-CG 4Å; F233-L237 HydrophobicContact CZ-CD2 4.08Å; F233-L237 HydrophobicContact CZ-CG 4.39Å; F233-L237 PolarHBondContact O-N 2.87Å; F233-L237 VanDerWaalsContact O-N 3.09Å; L234-L237 PolarHBondContact O-N 2.94Å; L237-R239 PolarHBondContact O-N 3.38Å; L237-R239 VanDerWaalsContact O-N 3.16Å; L237-S240 WeakPolarHBondContact O-CB 3.45Å; L237-S240 PolarHBondContact O-N 3.07Å; L237-L243 HydrophobicContact CB-CD1 4.3Å; L237-L243 HydrophobicContact CD2-CD1 4.09Å; L237-M247 HydrophobicContact CB-CE 4.46Å; L237-M247 HydrophobicContact CB-SD 4.33Å; L237-M247 HydrophobicContact CD1-CE 4.25Å; L237-P267 HydrophobicContact CD1-CG 4.24Å; L237-V430 HydrophobicContact CD1-CG1 4.13Å; L237-W432 HydrophobicContact CD1-CZ3 4.28Å
238	E	97.9	Very high	97.8	Very high	41 Å²	41	31.3 Å²	31.3	19%	0.192	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-8.5	-178.9	-70	175.1	149.7	0	0	114.5	L234 V236 S240 K244 M247 W249 R260	L234-E238 WeakPolarHBondContact O-CG 3.41Å; L234-E238 PolarHBondContact O-N 2.87Å; V236-E238 PolarHBondContact O-N 3.44Å; E238-S240 VanDerWaalsContact C-N 3.26Å; E238-K244 HydrophobicContact CB-CG 4.37Å; E238-K244 WeakPolarHBondContact O-CB 3.3Å; E238-K244 WeakPolarHBondContact O-CD 3.5Å; E238-M247 HydrophobicContact CG-CG 4.09Å; E238-W249 PolarHBondContact OE1-NE1 2.97Å; E238-R260 IonicContact OE2-NH1 2.73Å; E238-R260 PolarHBondContact OE2-NH1 3.4Å
239	R	97.1	Very high	97.9	Very high	195 Å²	195	31.8 Å²	31.8	74%	0.736	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-24.1	168.4	-73.2	167.5	-170.5	-171.5	1.1	112.2	N235 V236 L237	N235-R239 WeakPolarHBondContact O-CG 3.46Å; N235-R239 PolarHBondContact O-N 2.87Å; V236-R239 WeakPolarHBondContact O-CB 3.31Å; V236-R239 PolarHBondContact O-N 3.27Å; L237-R239 PolarHBondContact O-N 3.38Å; L237-R239 VanDerWaalsContact O-N 3.16Å
240	S	98.1	Very high	97.9	Very high	7 Å²	7	29.5 Å²	29.5	5%	0.049	15%	0.147	C	C	.	.	S	Bend	trans	-75.1	127.8	178.3	174	0	0	0	0	110.8	L237 E238 F242 L243 K244	L237-S240 WeakPolarHBondContact O-CB 3.45Å; L237-S240 PolarHBondContact O-N 3.07Å; E238-S240 VanDerWaalsContact C-N 3.26Å; S240-F242 PolarHBondContact O-N 3.48Å; S240-F242 PolarHBondContact OG-N 2.76Å; S240-L243 PolarHBondContact O-N 3.13Å; S240-L243 PolarHBondContact OG-N 3.07Å; S240-K244 WeakPolarHBondContact O-CB 3.45Å; S240-K244 PolarHBondContact O-N 2.84Å
241	P	97.6	Very high	97.8	Very high	36 Å²	36	31.5 Å²	31.5	23%	0.234	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.1	175.3	26.4	-33.3	0	0	0	112.4	L127 A131 P245	L127-P241 HydrophobicContact CD2-CG 3.83Å; L127-P241 HydrophobicContact CG-CB 4.35Å; L127-P241 HydrophobicContact CG-CG 3.86Å; A131-P241 HydrophobicContact CB-CB 4.12Å; A131-P241 WeakPolarHBondContact CB-O 3.36Å; P241-P245 WeakPolarHBondContact O-CD 3.44Å; P241-P245 WeakPolarHBondContact O-CG 3.37Å
242	F	98.3	Very high	97.8	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-29.5	176.9	-64	-79.7	0	0	0	113.5	H116 L119 L127 F130 A131 L135 I153 S240 I246 I410	H116-F242 AromaticContact ND1-CE2 3.58Å; L119-F242 HydrophobicContact CD1-CE2 4.29Å; L119-F242 HydrophobicContact CD1-CZ 3.59Å; L127-F242 HydrophobicContact CD1-CE2 4.14Å; L127-F242 HydrophobicContact CD1-CZ 4.09Å; F130-F242 HydrophobicContact CD1-CE1 4.06Å; F130-F242 HydrophobicContact CD1-CZ 4.04Å; F130-F242 AromaticContact CE1-CE1 3.98Å; F130-F242 HydrophobicContact CE1-CE1 3.98Å; F130-F242 HydrophobicContact CE1-CZ 4.06Å; A131-F242 HydrophobicContact CB-CD1 3.54Å; A131-F242 HydrophobicContact CB-CE1 3.68Å; A131-F242 HydrophobicContact CB-CG 4.02Å; A131-F242 HydrophobicContact CB-CZ 4.23Å; L135-F242 WeakPolarHBondContact CD1-O 3.43Å; I153-F242 HydrophobicContact CD1-CD1 4.38Å; I153-F242 HydrophobicContact CG1-CD1 3.71Å; I153-F242 HydrophobicContact CG1-CE1 4.04Å; I153-F242 HydrophobicContact CG1-CG 4.13Å; I153-F242 HydrophobicContact CG2-CD1 4.17Å; I153-F242 HydrophobicContact CG2-CD2 4.01Å; I153-F242 HydrophobicContact CG2-CE1 4.07Å; I153-F242 HydrophobicContact CG2-CE2 3.94Å; I153-F242 HydrophobicContact CG2-CG 4.13Å; I153-F242 HydrophobicContact CG2-CZ 3.97Å; S240-F242 PolarHBondContact O-N 3.48Å; S240-F242 PolarHBondContact OG-N 2.76Å; F242-I246 WeakPolarHBondContact O-CG2 3.12Å; F242-I410 HydrophobicContact CB-CD1 4.15Å
243	L	98.7	Very high	97.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-44.2	-178.3	-57.2	178.8	0	0	0	111.9	L160 L237 S240 P245 I246 M247 V333 V335 I410 W432	L160-L243 HydrophobicContact CD1-CD1 3.8Å; L237-L243 HydrophobicContact CB-CD1 4.3Å; L237-L243 HydrophobicContact CD2-CD1 4.09Å; S240-L243 PolarHBondContact O-N 3.13Å; S240-L243 PolarHBondContact OG-N 3.07Å; L243-P245 VanDerWaalsContact C-CD 3.47Å; L243-I246 CarbonylContact O-C 3.54Å; L243-I246 WeakPolarHBondContact O-CG2 3.47Å; L243-I246 PolarHBondContact O-N 3.39Å; L243-M247 HydrophobicContact CB-SD 4.5Å; L243-M247 WeakPolarHBondContact O-CG 3.07Å; L243-M247 PolarHBondContact O-N 3Å; L243-V333 HydrophobicContact CD2-CG1 4.38Å; L243-V335 HydrophobicContact CD1-CG2 3.61Å; L243-V335 HydrophobicContact CD2-CG2 3.56Å; L243-V335 HydrophobicContact CG-CG2 4.22Å; L243-I410 HydrophobicContact CD1-CD1 4.31Å; L243-I410 HydrophobicContact CD2-CB 4.43Å; L243-I410 HydrophobicContact CD2-CD1 3.74Å; L243-I410 HydrophobicContact CD2-CG1 4.07Å; L243-I410 HydrophobicContact CD2-CG2 3.5Å; L243-I410 HydrophobicContact CG-CD1 3.9Å; L243-W432 HydrophobicContact CB-CH2 4.37Å; L243-W432 HydrophobicContact CB-CZ2 4.41Å; L243-W432 HydrophobicContact CD1-CH2 4.33Å; L243-W432 HydrophobicContact CD2-CH2 3.82Å; L243-W432 HydrophobicContact CD2-CZ2 4.06Å; L243-W432 HydrophobicContact CG-CH2 4.38Å
244	K	98.1	Very high	97.5	Very high	128 Å²	128	31.4 Å²	31.4	56%	0.557	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-50.7	-45.7	-175.6	-173.6	-176.8	-174.8	171.8	0	113.8	E238 S240 I246 G250	E238-K244 HydrophobicContact CB-CG 4.37Å; E238-K244 WeakPolarHBondContact O-CB 3.3Å; E238-K244 WeakPolarHBondContact O-CD 3.5Å; S240-K244 WeakPolarHBondContact O-CB 3.45Å; S240-K244 PolarHBondContact O-N 2.84Å; K244-I246 PolarHBondContact O-N 2.71Å; K244-G250 WeakPolarHBondContact O-CA 3.43Å
245	P	97.8	Very high	97.2	Very high	8 Å²	8	33.6 Å²	33.6	5%	0.052	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-68.4	-21.2	-179.6	-19.4	33.8	0	0	0	113.8	K132 L135 P241 L243 G250 S251 L252	K132-P245 HydrophobicContact CG-CB 3.99Å; K132-P245 HydrophobicContact CG-CG 3.93Å; L135-P245 HydrophobicContact CD1-CB 4.27Å; L135-P245 HydrophobicContact CD1-CG 4.43Å; P241-P245 WeakPolarHBondContact O-CD 3.44Å; P241-P245 WeakPolarHBondContact O-CG 3.37Å; L243-P245 VanDerWaalsContact C-CD 3.47Å; P245-G250 CarbonylContact O-C 3.56Å; P245-G250 VanDerWaalsContact O-C 3.26Å; P245-G250 WeakPolarHBondContact O-CA 3.25Å; P245-S251 PolarHBondContact O-N 3.06Å; P245-S251 VanDerWaalsContact O-N 3.08Å; P245-L252 HydrophobicContact CB-CD1 3.93Å; P245-L252 HydrophobicContact CB-CG 3.97Å; P245-L252 WeakPolarHBondContact O-CB 3.31Å; P245-L252 PolarHBondContact O-N 2.83Å
246	I	97.7	Very high	97	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-119.5	11.4	-171.5	-155.5	64.6	0	0	0	113.4	L135 F242 L243 K244 L252 T253 V333 W432 A434 L436	L135-I246 HydrophobicContact CD1-CB 4.23Å; L135-I246 HydrophobicContact CD1-CG2 4.34Å; L135-I246 HydrophobicContact CD2-CG2 4.29Å; F242-I246 WeakPolarHBondContact O-CG2 3.12Å; L243-I246 CarbonylContact O-C 3.54Å; L243-I246 WeakPolarHBondContact O-CG2 3.47Å; L243-I246 PolarHBondContact O-N 3.39Å; K244-I246 PolarHBondContact O-N 2.71Å; I246-L252 HydrophobicContact CD1-CB 3.84Å; I246-L252 HydrophobicContact CD1-CD1 4.33Å; I246-T253 HydrophobicContact CD1-CG2 4.34Å; I246-V333 HydrophobicContact CB-CG2 4.46Å; I246-V333 HydrophobicContact CG1-CG2 3.72Å; I246-V333 HydrophobicContact CG2-CG1 4.08Å; I246-V333 HydrophobicContact CG2-CG2 3.96Å; I246-W432 PolarHBondContact O-NE1 3.32Å; I246-A434 HydrophobicContact CD1-CB 3.96Å; I246-A434 HydrophobicContact CG1-CB 3.9Å; I246-L436 HydrophobicContact CD1-CD2 3.71Å
247	M	98.3	Very high	96.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-52.7	160.3	161.9	-64.7	-58.2	-69.4	0	0	109.8	L237 E238 L243 W249 G250 T253 P267 W432	L237-M247 HydrophobicContact CB-CE 4.46Å; L237-M247 HydrophobicContact CB-SD 4.33Å; L237-M247 HydrophobicContact CD1-CE 4.25Å; E238-M247 HydrophobicContact CG-CG 4.09Å; L243-M247 HydrophobicContact CB-SD 4.5Å; L243-M247 WeakPolarHBondContact O-CG 3.07Å; L243-M247 PolarHBondContact O-N 3Å; M247-W249 HydrophobicContact CB-CD2 4.38Å; M247-W249 HydrophobicContact CB-CG 4.45Å; M247-W249 HydrophobicContact CB-CZ2 4.49Å; M247-W249 HydrophobicContact CE-CH2 4.02Å; M247-W249 HydrophobicContact CE-CZ2 3.48Å; M247-W249 VanDerWaalsContact CE-CZ2 3.48Å; M247-W249 PolarHBondContact O-N 2.95Å; M247-G250 WeakPolarHBondContact O-CA 3.45Å; M247-G250 PolarHBondContact O-N 2.97Å; M247-T253 WeakPolarHBondContact O-CG2 3.23Å; M247-P267 HydrophobicContact CE-CG 3.72Å; M247-W432 HydrophobicContact SD-CH2 3.91Å; M247-W432 HydrophobicContact SD-CZ2 3.6Å
248	P	97.6	Very high	96.6	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-32.4	177.2	-28.8	37.7	0	0	0	113.5	T253 D265 W432	P248-T253 WeakPolarHBondContact O-CB 3.31Å; P248-T253 PolarHBondContact O-OG1 3.21Å; P248-D265 HydrophobicContact CB-CB 4.14Å; P248-D265 HydrophobicContact CG-CB 4.32Å; P248-W432 HydrophobicContact CG-CB 3.97Å; P248-W432 HydrophobicContact CG-CG 4.03Å
249	W	97.3	Very high	96.5	Very high	24 Å²	24	47 Å²	47	9%	0.091	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	17.2	174.1	52.5	80.7	0	0	0	113.6	V219 L234 E238 M247 L255 S256 M258 R260	V219-W249 HydrophobicContact CG1-CH2 3.7Å; V219-W249 HydrophobicContact CG1-CZ3 3.82Å; L234-W249 HydrophobicContact CD1-CH2 4.17Å; L234-W249 HydrophobicContact CD1-CZ2 4.33Å; L234-W249 HydrophobicContact CD2-CH2 4.19Å; L234-W249 HydrophobicContact CD2-CZ2 4.38Å; E238-W249 PolarHBondContact OE1-NE1 2.97Å; M247-W249 HydrophobicContact CB-CD2 4.38Å; M247-W249 HydrophobicContact CB-CG 4.45Å; M247-W249 HydrophobicContact CB-CZ2 4.49Å; M247-W249 HydrophobicContact CE-CH2 4.02Å; M247-W249 HydrophobicContact CE-CZ2 3.48Å; M247-W249 VanDerWaalsContact CE-CZ2 3.48Å; M247-W249 PolarHBondContact O-N 2.95Å; W249-L255 WeakPolarHBondContact CA-O 3.3Å; W249-S256 WeakPolarHBondContact O-CA 3.27Å; W249-M258 HydrophobicContact CB-CB 4.28Å; W249-R260 HydrophobicContact CD2-CB 4.36Å; W249-R260 HydrophobicContact CD2-CG 3.81Å; W249-R260 VanDerWaalsContact CE2-CG 3.48Å; W249-R260 HydrophobicContact CE3-CB 4.25Å; W249-R260 HydrophobicContact CE3-CG 4.21Å; W249-R260 HydrophobicContact CG-CG 4.34Å; W249-R260 HydrophobicContact CH2-CB 3.83Å; W249-R260 HydrophobicContact CH2-CG 4.03Å; W249-R260 HydrophobicContact CZ2-CB 3.94Å; W249-R260 HydrophobicContact CZ2-CG 3.6Å; W249-R260 HydrophobicContact CZ3-CB 4Å; W249-R260 HydrophobicContact CZ3-CG 4.31Å
250	G	97	Very high	96.5	Very high	4 Å²	4	40.4 Å²	40.4	4%	0.041	21%	0.211	C	C	.	.	S	Bend	trans	-71.6	165.2	-179.9	0	0	0	0	0	112.8	K244 P245 M247 L252 T253 S256	K244-G250 WeakPolarHBondContact O-CA 3.43Å; P245-G250 CarbonylContact O-C 3.56Å; P245-G250 VanDerWaalsContact O-C 3.26Å; P245-G250 WeakPolarHBondContact O-CA 3.25Å; M247-G250 WeakPolarHBondContact O-CA 3.45Å; M247-G250 PolarHBondContact O-N 2.97Å; G250-L252 PolarHBondContact O-N 2.76Å; G250-T253 PolarHBondContact N-OG1 3.18Å; G250-T253 PolarHBondContact O-N 2.92Å; G250-T253 VanDerWaalsContact O-N 3.14Å; G250-T253 PolarHBondContact O-OG1 2.9Å; G250-S256 VanDerWaalsContact O-CB 3.28Å; G250-S256 WeakPolarHBondContact O-CB 3.37Å
251	S	95.7	Very high	96.4	Very high	54 Å²	54	45.4 Å²	45.4	38%	0.378	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.5	-177.1	60.5	0	0	0	0	114.8	P245 Q437	P245-S251 PolarHBondContact O-N 3.06Å; P245-S251 VanDerWaalsContact O-N 3.08Å; S251-Q437 PolarHBondContact O-NE2 2.98Å
252	L	95.7	Very high	96.2	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-4	177.5	-62.6	179	0	0	0	112.8	L135 P245 I246 G250 Q437 L440 P441	L135-L252 HydrophobicContact CB-CD1 3.76Å; L135-L252 HydrophobicContact CD1-CD1 3.85Å; L135-L252 HydrophobicContact CG-CD1 4.48Å; P245-L252 HydrophobicContact CB-CD1 3.93Å; P245-L252 HydrophobicContact CB-CG 3.97Å; P245-L252 WeakPolarHBondContact O-CB 3.31Å; P245-L252 PolarHBondContact O-N 2.83Å; I246-L252 HydrophobicContact CD1-CB 3.84Å; I246-L252 HydrophobicContact CD1-CD1 4.33Å; G250-L252 PolarHBondContact O-N 2.76Å; L252-Q437 PolarHBondContact O-N 2.78Å; L252-Q437 VanDerWaalsContact O-N 3.07Å; L252-L440 HydrophobicContact CB-CD2 4.42Å; L252-L440 HydrophobicContact CD2-CD2 4.31Å; L252-P441 HydrophobicContact CD2-CG 4.05Å
253	T	95.7	Very high	96.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-99.1	156.4	177.8	72.1	0	0	0	0	111.8	I246 M247 P248 G250 L255 A434 R435 Q437	I246-T253 HydrophobicContact CD1-CG2 4.34Å; M247-T253 WeakPolarHBondContact O-CG2 3.23Å; P248-T253 WeakPolarHBondContact O-CB 3.31Å; P248-T253 PolarHBondContact O-OG1 3.21Å; G250-T253 PolarHBondContact N-OG1 3.18Å; G250-T253 PolarHBondContact O-N 2.92Å; G250-T253 VanDerWaalsContact O-N 3.14Å; G250-T253 PolarHBondContact O-OG1 2.9Å; T253-L255 PolarHBondContact O-N 2.88Å; T253-A434 HydrophobicContact CG2-CB 4.11Å; T253-R435 CarbonylContact C-O 3.51Å; T253-R435 WeakPolarHBondContact CA-O 3.42Å; T253-R435 VanDerWaalsContact CB-O 3.23Å; T253-R435 WeakPolarHBondContact CB-O 3.41Å; T253-Q437 WeakPolarHBondContact O-CG 3.3Å; T253-Q437 PolarHBondContact O-NE2 3.2Å
254	S	94.6	Very high	95.8	Very high	69 Å²	69	54.1 Å²	54.1	48%	0.483	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.9	176.4	66.2	0	0	0	0	112.8	R435	S254-R435 PolarHBondContact N-O 3.09Å; S254-R435 WeakPolarHBondContact OG-CB 3.39Å; S254-R435 PolarHBondContact OG-O 3.17Å
255	L	93.9	Very high	95.6	Very high	46 Å²	46	48.4 Å²	48.4	24%	0.241	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	29	-176.5	-60.7	173.5	0	0	0	112.1	W249 T253 K257 M258 R435	W249-L255 WeakPolarHBondContact CA-O 3.3Å; T253-L255 PolarHBondContact O-N 2.88Å; L255-K257 PolarHBondContact O-N 3.36Å; L255-M258 HydrophobicContact CB-CB 4.21Å; L255-M258 HydrophobicContact CB-CE 4.1Å; L255-M258 HydrophobicContact CB-SD 4.46Å; L255-M258 HydrophobicContact CD1-CE 3.52Å; L255-M258 HydrophobicContact CD1-SD 4.29Å; L255-M258 HydrophobicContact CD2-CE 4.03Å; L255-M258 HydrophobicContact CG-CE 4.08Å; L255-M258 WeakPolarHBondContact O-CB 3.13Å; L255-M258 PolarHBondContact O-N 3.46Å; L255-R435 HydrophobicContact CD1-CG 4.29Å
256	S	93.6	Very high	95.5	Very high	57 Å²	57	48.4 Å²	48.4	40%	0.399	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-6.9	-172.2	75.2	0	0	0	0	116.4	W249 G250	W249-S256 WeakPolarHBondContact O-CA 3.27Å; G250-S256 VanDerWaalsContact O-CB 3.28Å; G250-S256 WeakPolarHBondContact O-CB 3.37Å
257	K	93.3	Very high	95.5	Very high	203 Å²	203	48.3 Å²	48.3	88%	0.883	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	1.9	177.4	-61.5	-178	-178.2	177.3	0	113.1	L255	L255-K257 PolarHBondContact O-N 3.36Å
258	M	95.7	Very high	95.5	Very high	54 Å²	54	51.1 Å²	51.1	27%	0.266	27%	0.265	S	S	.	.			trans	-66	140.4	-179.4	173.4	177	-75.7	0	0	111.2	W249 L255 D262	W249-M258 HydrophobicContact CB-CB 4.28Å; L255-M258 HydrophobicContact CB-CB 4.21Å; L255-M258 HydrophobicContact CB-CE 4.1Å; L255-M258 HydrophobicContact CB-SD 4.46Å; L255-M258 HydrophobicContact CD1-CE 3.52Å; L255-M258 HydrophobicContact CD1-SD 4.29Å; L255-M258 HydrophobicContact CD2-CE 4.03Å; L255-M258 HydrophobicContact CG-CE 4.08Å; L255-M258 WeakPolarHBondContact O-CB 3.13Å; L255-M258 PolarHBondContact O-N 3.46Å; M258-D262 HydrophobicContact CG-CB 4.38Å
259	N	96.1	Very high	95.5	Very high	92 Å²	92	51.1 Å²	51.1	49%	0.492	26%	0.264	S	S	.	.			trans	-70.7	136.4	167.9	-171.2	-39.7	0	0	0	109.4	R261 D262	N259-R261 PolarHBondContact O-N 2.95Å; N259-R261 VanDerWaalsContact O-N 3.11Å; N259-R261 PolarHBondContact OD1-N 3.41Å; N259-D262 WeakPolarHBondContact CB-OD2 3.47Å; N259-D262 PolarHBondContact O-N 2.97Å
260	R	96.5	Very high	95.6	Very high	56 Å²	56	52.5 Å²	52.5	21%	0.211	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-51.8	-38.7	-177.6	-56.3	-166.9	-73.4	-173	0.1	113.1	V219 F229 L234 N235 E238 W249 D262 S263	V219-R260 VanDerWaalsContact CB-O 3.27Å; V219-R260 WeakPolarHBondContact CB-O 3.48Å; V219-R260 VanDerWaalsContact CG1-O 3.32Å; V219-R260 WeakPolarHBondContact CG1-O 3.42Å; F229-R260 HydrophobicContact CE2-CB 4.32Å; L234-R260 HydrophobicContact CD1-CB 4.09Å; N235-R260 PolarHBondContact OD1-NH1 2.97Å; E238-R260 IonicContact OE2-NH1 2.73Å; E238-R260 PolarHBondContact OE2-NH1 3.4Å; W249-R260 HydrophobicContact CD2-CB 4.36Å; W249-R260 HydrophobicContact CD2-CG 3.81Å; W249-R260 VanDerWaalsContact CE2-CG 3.48Å; W249-R260 HydrophobicContact CE3-CB 4.25Å; W249-R260 HydrophobicContact CE3-CG 4.21Å; W249-R260 HydrophobicContact CG-CG 4.34Å; W249-R260 HydrophobicContact CH2-CB 3.83Å; W249-R260 HydrophobicContact CH2-CG 4.03Å; W249-R260 HydrophobicContact CZ2-CB 3.94Å; W249-R260 HydrophobicContact CZ2-CG 3.6Å; W249-R260 HydrophobicContact CZ3-CB 4Å; W249-R260 HydrophobicContact CZ3-CG 4.31Å; R260-D262 VanDerWaalsContact C-N 3.27Å; R260-D262 PolarHBondContact O-N 3.33Å; R260-S263 PolarHBondContact O-N 3.05Å
261	R	95.1	Very high	95.7	Very high	113 Å²	113	52.3 Å²	52.3	43%	0.426	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-65.7	-28.1	179.2	-67.9	-176.9	179.8	-124.2	9.6	114.1	V219 D220 F229 N259 S263	V219-R261 WeakPolarHBondContact O-CA 3.28Å; D220-R261 HydrophobicContact CB-CB 4.44Å; D220-R261 IonicContact OD2-NH1 3.22Å; D220-R261 PolarHBondContact OD2-NH1 2.76Å; F229-R261 HydrophobicContact CD1-CG 4.18Å; F229-R261 VanDerWaalsContact CD1-NH2 3.31Å; F229-R261 HydrophobicContact CD2-CG 3.82Å; F229-R261 HydrophobicContact CE1-CG 4.15Å; F229-R261 VanDerWaalsContact CE1-NE 3.33Å; F229-R261 HydrophobicContact CE2-CG 3.76Å; F229-R261 HydrophobicContact CG-CG 3.99Å; F229-R261 HydrophobicContact CZ-CG 3.91Å; N259-R261 PolarHBondContact O-N 2.95Å; N259-R261 VanDerWaalsContact O-N 3.11Å; N259-R261 PolarHBondContact OD1-N 3.41Å; R261-S263 VanDerWaalsContact C-N 3.27Å; R261-S263 PolarHBondContact O-N 2.77Å
262	D	94.1	Very high	95.8	Very high	98 Å²	98	52 Å²	52	52%	0.524	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-83.9	-7.3	-172.8	-60.5	-26.2	0	0	0	112.2	K222 M258 N259 R260 N264	K222-D262 PolarHBondContact NZ-O 3.46Å; M258-D262 HydrophobicContact CG-CB 4.38Å; N259-D262 WeakPolarHBondContact CB-OD2 3.47Å; N259-D262 PolarHBondContact O-N 2.97Å; R260-D262 VanDerWaalsContact C-N 3.27Å; R260-D262 PolarHBondContact O-N 3.33Å; D262-N264 PolarHBondContact O-N 3.02Å
263	S	95.1	Very high	95.9	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.021	26%	0.257	C	S	.	.			trans	-59.1	129.3	-177.9	-175.8	0	0	0	0	112.1	K222 R260 R261 D265 G266	K222-S263 PolarHBondContact NZ-O 3.49Å; R260-S263 PolarHBondContact O-N 3.05Å; R261-S263 VanDerWaalsContact C-N 3.27Å; R261-S263 PolarHBondContact O-N 2.77Å; S263-D265 PolarHBondContact OG-N 3.07Å; S263-G266 VanDerWaalsContact CB-O 3.3Å; S263-G266 WeakPolarHBondContact CB-O 3.35Å; S263-G266 PolarHBondContact OG-O 3.31Å
264	N	92.4	Very high	96	Very high	118 Å²	118	51.7 Å²	51.7	63%	0.631	26%	0.257	S	S	*	.	S	Bend	trans	-98.5	-3.5	165.9	-69.4	-44.6	0	0	0	111.6	K222 D262	K222-N264 VanDerWaalsContact CD-OD1 3.29Å; K222-N264 WeakPolarHBondContact CD-OD1 3.5Å; K222-N264 WeakPolarHBondContact CE-OD1 3.43Å; K222-N264 PolarHBondContact NZ-OD1 3.17Å; D262-N264 PolarHBondContact O-N 3.02Å
265	D	94.7	Very high	96.2	Very high	9 Å²	9	49.7 Å²	49.7	5%	0.048	24%	0.24	C	C	.	.	S	Bend	trans	-101.3	8.7	-170.4	-67	-28.4	0	0	0	111	P248 S263 V321 W432 H433 R435	P248-D265 HydrophobicContact CB-CB 4.14Å; P248-D265 HydrophobicContact CG-CB 4.32Å; S263-D265 PolarHBondContact OG-N 3.07Å; D265-V321 WeakPolarHBondContact OD1-CG1 3.17Å; D265-W432 CarbonylContact O-C 3.56Å; D265-W432 WeakPolarHBondContact O-CA 3.27Å; D265-W432 WeakPolarHBondContact O-CB 3.29Å; D265-H433 HydrophobicContact CB-CB 3.97Å; D265-H433 PolarHBondContact O-N 3.39Å; D265-R435 IonicContact OD1-CZ 2.96Å; D265-R435 IonicContact OD1-NE 3.63Å; D265-R435 IonicContact OD1-NH2 3.63Å; D265-R435 PolarHBondContact OD1-NH2 3.41Å; D265-R435 IonicContact OD2-CZ 3.14Å; D265-R435 IonicContact OD2-NE 3.62Å; D265-R435 PolarHBondContact OD2-NE 3.24Å; D265-R435 IonicContact OD2-NH2 3.95Å
266	G	95.3	Very high	96.3	Very high	8 Å²	8	48.3 Å²	48.3	8%	0.082	23%	0.232	C	C	.	.			trans	95.4	-163.3	-174	0	0	0	0	0	113.2	V219 S263	V219-G266 WeakPolarHBondContact CG1-O 3.33Å; S263-G266 VanDerWaalsContact CB-O 3.3Å; S263-G266 WeakPolarHBondContact CB-O 3.35Å; S263-G266 PolarHBondContact OG-O 3.31Å
267	P	98.1	Very high	96.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.241	C	C	.	.			cis	-69.3	148.5	3.6	-22.9	35.6	0	0	0	115.9	L218 L234 L237 M247 V430 A431 W432	L218-P267 HydrophobicContact CB-CB 4.47Å; L218-P267 WeakPolarHBondContact CB-O 3.41Å; L218-P267 HydrophobicContact CD1-CB 4.16Å; L218-P267 PolarHBondContact N-O 3.03Å; L234-P267 HydrophobicContact CD2-CG 4.2Å; L237-P267 HydrophobicContact CD1-CG 4.24Å; M247-P267 HydrophobicContact CE-CG 3.72Å; P267-V430 HydrophobicContact CB-CG1 3.8Å; P267-A431 WeakPolarHBondContact CA-O 3.5Å; P267-W432 HydrophobicContact CB-CB 4.49Å; P267-W432 HydrophobicContact CB-CD2 4.49Å; P267-W432 HydrophobicContact CB-CE3 3.77Å; P267-W432 HydrophobicContact CB-CZ3 4.41Å; P267-W432 HydrophobicContact CG-CB 4.38Å; P267-W432 HydrophobicContact CG-CD2 4.1Å; P267-W432 HydrophobicContact CG-CE3 3.72Å; P267-W432 HydrophobicContact CG-CG 4.43Å; P267-W432 HydrophobicContact CG-CZ3 4.29Å
268	I	97.6	Very high	96.3	Very high	59 Å²	59	43.4 Å²	43.4	30%	0.303	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	151.5	167.9	52.3	159.4	0	0	0	109.9	A215 I216 W270 V430 A431	A215-I268 HydrophobicContact CB-CD1 4.48Å; I216-I268 CarbonylContact O-C 3.48Å; I216-I268 WeakPolarHBondContact O-CA 3.39Å; I268-W270 HydrophobicContact CD1-CE3 3.93Å; I268-W270 HydrophobicContact CD1-CZ3 3.51Å; I268-W270 HydrophobicContact CG1-CE3 4.2Å; I268-W270 HydrophobicContact CG1-CZ3 3.75Å; I268-V430 CarbonylContact O-C 3.54Å; I268-V430 VanDerWaalsContact O-CA 3.27Å; I268-V430 WeakPolarHBondContact O-CA 3.38Å; I268-A431 WeakPolarHBondContact CG1-O 3.43Å; I268-A431 PolarHBondContact N-O 3.41Å; I268-A431 PolarHBondContact O-N 2.69Å
269	M	98.5	Very high	95.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.2	178.8	-175.1	177.7	73	0	0	111.5	F163 F167 M213 A215 I216 L218 T428 S429 V430	F163-M269 HydrophobicContact CB-SD 4.24Å; F167-M269 HydrophobicContact CB-CE 4.21Å; F167-M269 HydrophobicContact CD1-CE 3.88Å; F167-M269 HydrophobicContact CD2-CE 3.61Å; F167-M269 HydrophobicContact CD2-SD 3.71Å; F167-M269 HydrophobicContact CE1-CE 4.08Å; F167-M269 HydrophobicContact CE2-CE 3.82Å; F167-M269 HydrophobicContact CE2-SD 3.65Å; F167-M269 HydrophobicContact CG-CE 3.65Å; F167-M269 HydrophobicContact CG-SD 4.37Å; F167-M269 HydrophobicContact CZ-CE 4.06Å; F167-M269 HydrophobicContact CZ-SD 4.27Å; M213-M269 HydrophobicContact CE-CE 4.13Å; A215-M269 CarbonylContact C-O 3.58Å; A215-M269 VanDerWaalsContact CA-O 3.32Å; A215-M269 WeakPolarHBondContact CA-O 3.23Å; I216-M269 HydrophobicContact CD1-CE 3.83Å; I216-M269 HydrophobicContact CG1-CB 4.13Å; I216-M269 HydrophobicContact CG1-CE 4.26Å; I216-M269 PolarHBondContact N-O 3.5Å; I216-M269 PolarHBondContact O-N 3.24Å; L218-M269 HydrophobicContact CD1-CB 4.11Å; L218-M269 HydrophobicContact CD2-CB 4.18Å; L218-M269 HydrophobicContact CG-CB 4.32Å; M269-T428 HydrophobicContact CG-CG2 3.63Å; M269-T428 HydrophobicContact SD-CG2 3.6Å; M269-T428 VanDerWaalsContact SD-CG2 3.6Å; M269-S429 WeakPolarHBondContact CA-O 3.35Å; M269-V430 HydrophobicContact CB-CG2 4.01Å; M269-V430 HydrophobicContact CG-CG2 3.79Å; M269-V430 HydrophobicContact SD-CG2 4.17Å
270	W	98.5	Very high	94.8	Very high	53 Å²	53	40 Å²	40	20%	0.201	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	162.2	171.3	62.7	89	0	0	0	110.9	A215 I268 T428 S429 A431	A215-W270 HydrophobicContact CB-CB 4.32Å; I268-W270 HydrophobicContact CD1-CE3 3.93Å; I268-W270 HydrophobicContact CD1-CZ3 3.51Å; I268-W270 HydrophobicContact CG1-CE3 4.2Å; I268-W270 HydrophobicContact CG1-CZ3 3.75Å; W270-T428 WeakPolarHBondContact O-CA 3.36Å; W270-S429 VanDerWaalsContact CE2-CB 3.43Å; W270-S429 PolarHBondContact N-O 2.97Å; W270-S429 PolarHBondContact O-N 3.33Å; W270-A431 HydrophobicContact CH2-CB 3.52Å; W270-A431 HydrophobicContact CZ3-CB 3.82Å
271	I	98.6	Very high	93.4	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125.9	-179.4	-54.6	168.6	0	0	0	108.8	F164 Y195 F208 P212 M213 V339 V427 T428	F164-I271 HydrophobicContact CB-CD1 4.42Å; F164-I271 HydrophobicContact CD2-CD1 3.62Å; F164-I271 HydrophobicContact CE2-CD1 4.4Å; F164-I271 HydrophobicContact CG-CD1 4.45Å; Y195-I271 HydrophobicContact CE1-CB 4.42Å; Y195-I271 HydrophobicContact CE1-CD1 3.91Å; F208-I271 HydrophobicContact CE1-CG2 3.95Å; F208-I271 HydrophobicContact CZ-CG2 3.87Å; P212-I271 CarbonylContact C-O 3.44Å; P212-I271 WeakPolarHBondContact CA-O 3.06Å; M213-I271 HydrophobicContact CB-CB 3.83Å; M213-I271 HydrophobicContact CB-CD1 4.31Å; M213-I271 HydrophobicContact CB-CG1 4.24Å; M213-I271 HydrophobicContact CE-CD1 4.04Å; M213-I271 HydrophobicContact CE-CG1 3.97Å; M213-I271 PolarHBondContact N-O 3.31Å; M213-I271 PolarHBondContact O-N 2.9Å; M213-I271 HydrophobicContact SD-CD1 3.79Å; M213-I271 HydrophobicContact SD-CG1 4.28Å; I271-V339 HydrophobicContact CG2-CG2 4.02Å; I271-V427 WeakPolarHBondContact CA-O 3.17Å; I271-T428 HydrophobicContact CG1-CG2 4Å
272	R	98.6	Very high	91.4	Very high	47 Å²	47	40.3 Å²	40.3	18%	0.177	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.1	-179.2	-63.3	-57.6	-69.3	-170.5	-11	110.5	F208 D312 T423 A426 V427	F208-R272 WeakPolarHBondContact CE1-O 3.45Å; R272-D312 WeakPolarHBondContact CB-OD2 3.47Å; R272-D312 IonicContact CZ-OD1 3.36Å; R272-D312 IonicContact CZ-OD2 3.67Å; R272-D312 VanDerWaalsContact NE-CG 3.28Å; R272-D312 IonicContact NE-OD1 3.77Å; R272-D312 PolarHBondContact NE-OD1 2.97Å; R272-D312 IonicContact NE-OD2 3.24Å; R272-D312 PolarHBondContact NE-OD2 3.48Å; R272-D312 IonicContact NH2-OD1 2.74Å; R272-D312 PolarHBondContact NH2-OD1 3.21Å; R272-D312 IonicContact NH2-OD2 3.36Å; R272-T423 HydrophobicContact CB-CG2 3.74Å; R272-A426 CarbonylContact O-C 3.57Å; R272-A426 WeakPolarHBondContact O-CA 3.4Å; R272-V427 HydrophobicContact CB-CG1 4.24Å; R272-V427 PolarHBondContact N-O 3.23Å; R272-V427 PolarHBondContact O-N 3.46Å
273	P	98	Very high	89.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.			trans	-80.6	-17.3	-179.5	33.6	-39	0	0	0	113.8	L181 T207 F208 F310 D312	L181-P273 HydrophobicContact CD2-CB 4.24Å; L181-P273 HydrophobicContact CD2-CG 3.71Å; T207-P273 WeakPolarHBondContact CA-O 3.42Å; T207-P273 WeakPolarHBondContact CB-O 3.43Å; F208-P273 HydrophobicContact CD1-CB 4.42Å; F208-P273 HydrophobicContact CD2-CB 3.87Å; F208-P273 HydrophobicContact CE1-CB 4.17Å; F208-P273 HydrophobicContact CE2-CB 3.57Å; F208-P273 HydrophobicContact CG-CB 4.28Å; F208-P273 VanDerWaalsContact CZ-CA 3.46Å; F208-P273 HydrophobicContact CZ-CB 3.72Å; P273-F310 HydrophobicContact CG-CD1 4.13Å; P273-F310 HydrophobicContact CG-CE1 3.43Å; P273-F310 VanDerWaalsContact CG-CE1 3.43Å; P273-F310 HydrophobicContact CG-CZ 3.99Å; P273-D312 VanDerWaalsContact CD-OD2 3.3Å; P273-D312 WeakPolarHBondContact CD-OD2 3.5Å
274	G	98	Very high	86.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.242	C	C	.	.			trans	87.1	143.2	-169.2	0	0	0	0	0	112.1	Q276 D312	G274-Q276 WeakPolarHBondContact O-CG 3.33Å; G274-Q276 PolarHBondContact O-N 2.88Å; G274-Q276 PolarHBondContact O-NE2 2.86Å; G274-D312 PolarHBondContact N-OD2 2.9Å; G274-D312 VanDerWaalsContact N-OD2 3.14Å
275	E	98.1	Very high	84.3	Confident	26 Å²	26	49.4 Å²	49.4	12%	0.121	24%	0.244	C	C	.	.	S	Bend	trans	-61.8	129.9	178.8	178.6	165	115	0	0	111.1	L309 F310 D312 R313 R422 T423	E275-L309 HydrophobicContact CG-CD1 4.27Å; E275-F310 WeakPolarHBondContact CA-O 3.18Å; E275-F310 WeakPolarHBondContact CG-O 3.29Å; E275-D312 HydrophobicContact CB-CB 3.92Å; E275-D312 PolarHBondContact OE2-N 3.25Å; E275-R313 IonicContact OE1-CZ 2.7Å; E275-R313 IonicContact OE1-NE 3.24Å; E275-R313 IonicContact OE1-NH2 3.79Å; E275-R313 PolarHBondContact OE1-NH2 2.79Å; E275-R313 WeakPolarHBondContact OE2-CG 3.38Å; E275-R313 IonicContact OE2-CZ 2.82Å; E275-R313 IonicContact OE2-NE 3.13Å; E275-R313 PolarHBondContact OE2-NE 3.11Å; E275-R313 IonicContact OE2-NH2 3.6Å; E275-R313 PolarHBondContact OE2-NH2 3.33Å; E275-R422 IonicContact OE1-CZ 2.92Å; E275-R422 IonicContact OE1-NE 3.53Å; E275-R422 PolarHBondContact OE1-NE 3.08Å; E275-R422 IonicContact OE1-NH2 2.93Å; E275-R422 PolarHBondContact OE1-NH2 3.44Å; E275-R422 IonicContact OE2-NE 3.7Å; E275-T423 WeakPolarHBondContact CB-O 3.32Å; E275-T423 PolarHBondContact N-O 2.79Å
276	Q	96.7	Very high	81.8	Confident	17 Å²	17	60.9 Å²	60.9	8%	0.079	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	160.4	-169.9	61.7	-173.8	-80	0	0	112.7	F208 G274 V278 F310	F208-Q276 PolarHBondContact O-NE2 3.49Å; G274-Q276 WeakPolarHBondContact O-CG 3.33Å; G274-Q276 PolarHBondContact O-N 2.88Å; G274-Q276 PolarHBondContact O-NE2 2.86Å; Q276-V278 HydrophobicContact CG-CG2 4.2Å; Q276-F310 HydrophobicContact CG-CB 4.37Å; Q276-F310 PolarHBondContact N-O 3.11Å; Q276-F310 PolarHBondContact O-N 3.26Å
277	Y	94.9	Very high	79.1	Confident	151 Å²	151	69.5 Å²	69.5	59%	0.592	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	136.2	165.4	-76.8	-80.7	0	0	0	110.9	R209 A307 V308 L309	R209-Y277 PolarHBondContact NH1-O 3.13Å; R209-Y277 PolarHBondContact NH2-O 3.23Å; R209-Y277 VanDerWaalsContact NH2-O 3.13Å; Y277-A307 HydrophobicContact CD1-CB 4.04Å; Y277-V308 WeakPolarHBondContact CA-O 3.38Å; Y277-L309 HydrophobicContact CD1-CB 4.16Å; Y277-L309 HydrophobicContact CD1-CD1 4.45Å; Y277-L309 HydrophobicContact CD2-CD1 4.44Å; Y277-L309 HydrophobicContact CE1-CB 3.79Å; Y277-L309 HydrophobicContact CE1-CD1 4.18Å; Y277-L309 HydrophobicContact CE2-CD1 4.16Å
278	V	90.8	Very high	76.1	Confident	7 Å²	7	77.9 Å²	77.9	4%	0.042	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.5	-177.2	-173.5	0	0	0	0	109	L181 I182 R209 Q276 A307 V308 F310	L181-V278 HydrophobicContact CB-CG1 4.46Å; L181-V278 HydrophobicContact CB-CG2 3.79Å; L181-V278 HydrophobicContact CD1-CG2 3.97Å; L181-V278 HydrophobicContact CG-CG2 4.5Å; I182-V278 HydrophobicContact CD1-CG1 4.18Å; I182-V278 HydrophobicContact CG1-CG1 3.94Å; R209-V278 VanDerWaalsContact NH1-CA 3.34Å; R209-V278 VanDerWaalsContact NH1-CG2 3.32Å; Q276-V278 HydrophobicContact CG-CG2 4.2Å; V278-A307 CarbonylContact O-C 3.54Å; V278-A307 VanDerWaalsContact O-CA 3.27Å; V278-A307 WeakPolarHBondContact O-CA 3.49Å; V278-V308 PolarHBondContact N-O 3.42Å; V278-V308 PolarHBondContact O-N 2.84Å; V278-F310 HydrophobicContact CG2-CB 4.16Å
279	S	85.4	Confident	73.2	Confident	26 Å²	26	81.6 Å²	81.6	18%	0.182	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	132.3	175.4	178	0	0	0	0	110	E281 S282 Q305	S279-E281 PolarHBondContact O-N 3.43Å; S279-E281 PolarHBondContact OG-N 2.79Å; S279-S282 PolarHBondContact O-OG 3.44Å; S279-Q305 PolarHBondContact OG-OE1 2.91Å
280	T	76.2	Confident	70.2	Confident	48 Å²	48	92.2 Å²	92.2	29%	0.294	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-8.4	177.8	58.8	0	0	0	0	113.3	T283 R306 V308	T280-T283 PolarHBondContact O-OG1 2.9Å; T280-T283 VanDerWaalsContact O-OG1 3.12Å; T280-R306 HydrophobicContact CG2-CB 4.41Å; T280-R306 PolarHBondContact N-O 3.09Å; T280-R306 VanDerWaalsContact OG1-CB 3.3Å; T280-R306 WeakPolarHBondContact OG1-CB 3.41Å; T280-R306 PolarHBondContact OG1-O 3.45Å; T280-V308 HydrophobicContact CG2-CG2 3.63Å
281	E	66.4	Low	67.3	Low	95 Å²	95	98.7 Å²	98.7	44%	0.444	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-18	-177	-66.6	-169.6	172.7	0	0	114.3	S279 T283 N284	S279-E281 PolarHBondContact O-N 3.43Å; S279-E281 PolarHBondContact OG-N 2.79Å; E281-T283 PolarHBondContact O-N 2.93Å; E281-N284 PolarHBondContact O-N 3.31Å; E281-N284 VanDerWaalsContact O-N 3.08Å
282	S	54	Low	64.2	Low	81 Å²	81	105.9 Å²	105.9	57%	0.566	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-64.9	-22	-177.6	55.2	0	0	0	0	113.1	S279 N284	S279-S282 PolarHBondContact O-OG 3.44Å; S282-N284 VanDerWaalsContact C-N 3.29Å; S282-N284 PolarHBondContact O-N 2.87Å
283	T	51.3	Low	61.3	Low	97 Å²	97	108.6 Å²	108.6	60%	0.595	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-69.9	-20.8	174.7	38.3	0	0	0	0	113.6	I182 T280 E281	I182-T283 HydrophobicContact CD1-CG2 4.3Å; T280-T283 PolarHBondContact O-OG1 2.9Å; T280-T283 VanDerWaalsContact O-OG1 3.12Å; E281-T283 PolarHBondContact O-N 2.93Å
284	N	40.2	Very low	58.5	Low	133 Å²	133	112.8 Å²	112.8	71%	0.711	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-96	-9	-176	-80.5	-15	0	0	0	115.2	E281 S282 R286	E281-N284 PolarHBondContact O-N 3.31Å; E281-N284 VanDerWaalsContact O-N 3.08Å; S282-N284 VanDerWaalsContact C-N 3.29Å; S282-N284 PolarHBondContact O-N 2.87Å; N284-R286 VanDerWaalsContact C-N 3.27Å; N284-R286 PolarHBondContact O-N 2.71Å
285	R	40.9	Very low	55.9	Low	180 Å²	180	119 Å²	119	68%	0.679	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	16.5	-174.6	-64.3	-165	-165.2	-166.5	4.3	116	K287	R285-K287 PolarHBondContact O-N 3.25Å
286	R	40.6	Very low	53.4	Low	249 Å²	249	123 Å²	123	94%	0.94	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-0.5	162.5	-85.2	-171.9	178.3	173.6	1.3	113.5	N284	N284-R286 VanDerWaalsContact C-N 3.27Å; N284-R286 PolarHBondContact O-N 2.71Å
287	K	39.3	Very low	50.9	Low	190 Å²	190	128.9 Å²	128.9	83%	0.826	67%	0.671	S	S	*	*	S	Bend	trans	-134.2	69.5	172.5	-74	-175.7	177.8	175.4	0	112.3	R285	R285-K287 PolarHBondContact O-N 3.25Å
288	E	35	Very low	48.4	Very low	176 Å²	176	125 Å²	125	82%	0.822	68%	0.677	S	S	*	*			trans	-160.9	73.3	152.7	-115.5	166.2	-160.5	0	0	110.9
289	V	37.3	Very low	46.5	Very low	136 Å²	136	136.4 Å²	136.4	82%	0.824	72%	0.719	S	S	*	*			trans	-82.6	120.3	156.7	172.8	0	0	0	0	106.3
290	R	35.2	Very low	44.7	Very low	224 Å²	224	141.3 Å²	141.3	85%	0.845	75%	0.748	S	S	*	*			trans	94.2	87.2	175.4	-60.5	167.5	173.4	-176.5	-2.3	116.1
291	Q	37.3	Very low	43.3	Very low	188 Å²	188	147.5 Å²	147.5	88%	0.879	77%	0.77	S	S	*	*				-152.2	114	125.2	-109.3	175.6	11.6	0	0	110.4	S293	Q291-S293 PolarHBondContact O-N 2.88Å
292	V	34.8	Very low	42.7	Very low	153 Å²	153	150.5 Å²	150.5	93%	0.927	79%	0.788	S	S	*	*			trans	-73.3	115.6	170.6	174.4	0	0	0	0	107.3
293	S	37	Very low	42.6	Very low	103 Å²	103	155.2 Å²	155.2	72%	0.72	80%	0.803	S	S	*	*			trans	-156.9	115.5	159.4	40.9	0	0	0	0	112.7	Q291	Q291-S293 PolarHBondContact O-N 2.88Å
294	A	40.4	Very low	42.5	Very low	88 Å²	88	158.3 Å²	158.3	73%	0.727	82%	0.816	S	S	*	*			trans	41.7	137	154.5	0	0	0	0	0	121.6	S296	A294-S296 PolarHBondContact O-N 3.22Å
295	P	42.3	Very low	43.6	Very low	132 Å²	132	155.3 Å²	155.3	86%	0.857	80%	0.798	S	S	*	*			trans	-76.4	92.8	-178.8	32.4	-32	0	0	0	110.2	T297	P295-T297 PolarHBondContact O-N 2.75Å
296	S	45.5	Very low	45.4	Very low	108 Å²	108	156.7 Å²	156.7	76%	0.755	80%	0.803	S	S	*	*			trans	-69.3	122.6	166.4	64.9	0	0	0	0	109	A294 G298	A294-S296 PolarHBondContact O-N 3.22Å; S296-G298 PolarHBondContact O-N 3.46Å
297	T	45	Very low	47.6	Very low	142 Å²	142	147.4 Å²	147.4	87%	0.871	78%	0.779	S	S	*	*			trans	-45	127.8	172.5	34.7	0	0	0	0	111.6	P295	P295-T297 PolarHBondContact O-N 2.75Å
298	G	42.3	Very low	50.1	Low	68 Å²	68	140.8 Å²	140.8	70%	0.701	76%	0.755	S	S	*	*			trans	-70.8	167.4	-169.1	0	0	0	0	0	115.8	S296	S296-G298 PolarHBondContact O-N 3.46Å
299	R	51	Low	52.9	Low	248 Å²	248	135 Å²	135	94%	0.936	73%	0.729	S	S	*	*	S	Bend	trans	113.4	0.4	151.8	-66	-173.5	162.1	170.4	-4.2	120.8
300	V	46.8	Very low	55.7	Low	129 Å²	129	129 Å²	129	78%	0.782	69%	0.692	S	S	*	*	S	Bend	trans	-139.9	50	176.6	-157	0	0	0	0	114.8
301	K	48	Very low	58.6	Low	177 Å²	177	121.3 Å²	121.3	77%	0.77	67%	0.666	S	S	*	*	S	Bend	trans	-124.6	12.1	168.8	-86	-166.8	178.9	-176.4	0	114.9	Q305	K301-Q305 PolarHBondContact O-NE2 2.93Å; K301-Q305 VanDerWaalsContact O-NE2 3.15Å
302	I	52.2	Low	61.4	Low	158 Å²	158	112.3 Å²	112.3	81%	0.81	62%	0.624	S	S	*	*	S	Bend	trans	-81.4	-29.7	175.5	-62	176.1	0	0	0	111.2
303	M	52.7	Low	64.4	Low	180 Å²	180	107.5 Å²	107.5	89%	0.887	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-19.3	-170	-68.4	-172.4	73.5	0	0	115.7
304	D	49.3	Very low	67.2	Low	162 Å²	162	104 Å²	104	87%	0.866	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	10.5	-171.6	-148.9	16.9	0	0	0	113.7
305	Q	62.3	Low	69.9	Low	71 Å²	71	102.2 Å²	102.2	33%	0.332	54%	0.54	S	S	.	.	S	Bend	trans	-89.4	137.5	174.7	-65.9	-179.5	24.6	0	0	109.3	S279 K301 A307	S279-Q305 PolarHBondContact OG-OE1 2.91Å; K301-Q305 PolarHBondContact O-NE2 2.93Å; K301-Q305 VanDerWaalsContact O-NE2 3.15Å; Q305-A307 PolarHBondContact O-N 2.8Å
306	R	79.4	Confident	72.6	Confident	209 Å²	209	96 Å²	96	79%	0.789	50%	0.499	S	S	*	.			trans	-55.3	110.4	171.3	-73	-177.4	-173.7	-173.3	2.3	108.7	T280	T280-R306 HydrophobicContact CG2-CB 4.41Å; T280-R306 PolarHBondContact N-O 3.09Å; T280-R306 VanDerWaalsContact OG1-CB 3.3Å; T280-R306 WeakPolarHBondContact OG1-CB 3.41Å; T280-R306 PolarHBondContact OG1-O 3.45Å
307	A	86.5	Confident	75.1	Confident	53 Å²	53	91.3 Å²	91.3	44%	0.438	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.2	178.8	0	0	0	0	0	109.6	Y277 V278 Q305	Y277-A307 HydrophobicContact CD1-CB 4.04Å; V278-A307 CarbonylContact O-C 3.54Å; V278-A307 VanDerWaalsContact O-CA 3.27Å; V278-A307 WeakPolarHBondContact O-CA 3.49Å; Q305-A307 PolarHBondContact O-N 2.8Å
308	V	91.4	Very high	77.5	Confident	51 Å²	51	84.6 Å²	84.6	31%	0.309	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.3	173.3	177.4	0	0	0	0	108	Y277 V278 T280 F310	Y277-V308 WeakPolarHBondContact CA-O 3.38Å; V278-V308 PolarHBondContact N-O 3.42Å; V278-V308 PolarHBondContact O-N 2.84Å; T280-V308 HydrophobicContact CG2-CG2 3.63Å; V308-F310 PolarHBondContact O-N 2.89Å
309	L	94.5	Very high	80	Confident	54 Å²	54	82.2 Å²	82.2	28%	0.283	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.7	171.1	177.9	63.2	0	0	0	109.1	E275 Y277 E311	E275-L309 HydrophobicContact CG-CD1 4.27Å; Y277-L309 HydrophobicContact CD1-CB 4.16Å; Y277-L309 HydrophobicContact CD1-CD1 4.45Å; Y277-L309 HydrophobicContact CD2-CD1 4.44Å; Y277-L309 HydrophobicContact CE1-CB 3.79Å; Y277-L309 HydrophobicContact CE1-CD1 4.18Å; Y277-L309 HydrophobicContact CE2-CD1 4.16Å; L309-E311 HydrophobicContact CD2-CG 3.73Å; L309-E311 HydrophobicContact CG-CG 3.82Å
310	F	96.1	Very high	82	Confident	11 Å²	11	71.8 Å²	71.8	5%	0.048	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	104.9	164.3	176.6	-99.8	0	0	0	108.7	L181 P212 P273 E275 Q276 V278 V308 D312	L181-F310 HydrophobicContact CB-CD2 4.27Å; L181-F310 HydrophobicContact CB-CG 4.43Å; L181-F310 HydrophobicContact CD2-CB 4.42Å; L181-F310 HydrophobicContact CD2-CD1 3.73Å; L181-F310 HydrophobicContact CD2-CD2 3.7Å; L181-F310 HydrophobicContact CD2-CE1 3.84Å; L181-F310 HydrophobicContact CD2-CE2 3.79Å; L181-F310 HydrophobicContact CD2-CG 3.66Å; L181-F310 HydrophobicContact CD2-CZ 3.86Å; P212-F310 HydrophobicContact CG-CZ 4.13Å; P273-F310 HydrophobicContact CG-CD1 4.13Å; P273-F310 HydrophobicContact CG-CE1 3.43Å; P273-F310 VanDerWaalsContact CG-CE1 3.43Å; P273-F310 HydrophobicContact CG-CZ 3.99Å; E275-F310 WeakPolarHBondContact CA-O 3.18Å; E275-F310 WeakPolarHBondContact CG-O 3.29Å; Q276-F310 HydrophobicContact CG-CB 4.37Å; Q276-F310 PolarHBondContact N-O 3.11Å; Q276-F310 PolarHBondContact O-N 3.26Å; V278-F310 HydrophobicContact CG2-CB 4.16Å; V308-F310 PolarHBondContact O-N 2.89Å; F310-D312 HydrophobicContact CD1-CB 4.25Å; F310-D312 HydrophobicContact CE1-CB 3.75Å
311	E	95.4	Very high	84	Confident	62 Å²	62	65.9 Å²	65.9	29%	0.29	32%	0.322	S	S	.	.			trans	-81.2	119.9	175.7	-62.4	179.6	123.2	0	0	110.1	R184 L309 R313	R184-E311 IonicContact CZ-OE2 3.63Å; R184-E311 IonicContact NH1-OE2 3.55Å; R184-E311 IonicContact NH2-OE2 2.77Å; R184-E311 PolarHBondContact NH2-OE2 3.49Å; L309-E311 HydrophobicContact CD2-CG 3.73Å; L309-E311 HydrophobicContact CG-CG 3.82Å; E311-R313 HydrophobicContact CB-CG 4.38Å; E311-R313 PolarHBondContact O-N 2.96Å; E311-R313 IonicContact OE1-CZ 3.62Å; E311-R313 IonicContact OE1-NH1 2.71Å; E311-R313 PolarHBondContact OE1-NH1 2.86Å; E311-R313 IonicContact OE1-NH2 2.88Å
312	D	97.2	Very high	85.7	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.3	C	S	.	.			trans	-104.5	70.4	179.4	-162.6	-34.9	0	0	0	109.5	R272 P273 G274 E275 F310 R422 T423	R272-D312 WeakPolarHBondContact CB-OD2 3.47Å; R272-D312 IonicContact CZ-OD1 3.36Å; R272-D312 IonicContact CZ-OD2 3.67Å; R272-D312 VanDerWaalsContact NE-CG 3.28Å; R272-D312 IonicContact NE-OD1 3.77Å; R272-D312 PolarHBondContact NE-OD1 2.97Å; R272-D312 IonicContact NE-OD2 3.24Å; R272-D312 PolarHBondContact NE-OD2 3.48Å; R272-D312 IonicContact NH2-OD1 2.74Å; R272-D312 PolarHBondContact NH2-OD1 3.21Å; R272-D312 IonicContact NH2-OD2 3.36Å; P273-D312 VanDerWaalsContact CD-OD2 3.3Å; P273-D312 WeakPolarHBondContact CD-OD2 3.5Å; G274-D312 PolarHBondContact N-OD2 2.9Å; G274-D312 VanDerWaalsContact N-OD2 3.14Å; E275-D312 HydrophobicContact CB-CB 3.92Å; E275-D312 PolarHBondContact OE2-N 3.25Å; F310-D312 HydrophobicContact CD1-CB 4.25Å; F310-D312 HydrophobicContact CE1-CB 3.75Å; D312-R422 CarbonylContact O-C 3.03Å; D312-R422 WeakPolarHBondContact O-CA 3.41Å; D312-T423 PolarHBondContact O-N 2.84Å; D312-T423 WeakPolarHBondContact OD1-CB 3.26Å; D312-T423 PolarHBondContact OD1-OG1 3.22Å
313	R	96.6	Very high	86.9	Confident	52 Å²	52	55.3 Å²	55.3	20%	0.196	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.1	-168.4	-62.7	179.5	-169.5	160.4	7.7	112.2	E275 E311 W384 F421 R422	E275-R313 IonicContact OE1-CZ 2.7Å; E275-R313 IonicContact OE1-NE 3.24Å; E275-R313 IonicContact OE1-NH2 3.79Å; E275-R313 PolarHBondContact OE1-NH2 2.79Å; E275-R313 WeakPolarHBondContact OE2-CG 3.38Å; E275-R313 IonicContact OE2-CZ 2.82Å; E275-R313 IonicContact OE2-NE 3.13Å; E275-R313 PolarHBondContact OE2-NE 3.11Å; E275-R313 IonicContact OE2-NH2 3.6Å; E275-R313 PolarHBondContact OE2-NH2 3.33Å; E311-R313 HydrophobicContact CB-CG 4.38Å; E311-R313 PolarHBondContact O-N 2.96Å; E311-R313 IonicContact OE1-CZ 3.62Å; E311-R313 IonicContact OE1-NH1 2.71Å; E311-R313 PolarHBondContact OE1-NH1 2.86Å; E311-R313 IonicContact OE1-NH2 2.88Å; R313-W384 HydrophobicContact CB-CE3 4.07Å; R313-W384 HydrophobicContact CB-CH2 4.15Å; R313-W384 HydrophobicContact CB-CZ3 3.67Å; R313-W384 HydrophobicContact CG-CE3 4.33Å; R313-W384 HydrophobicContact CG-CH2 3.97Å; R313-W384 HydrophobicContact CG-CZ2 4.35Å; R313-W384 HydrophobicContact CG-CZ3 3.96Å; R313-F421 CarbonylContact C-O 3.44Å; R313-F421 WeakPolarHBondContact CA-O 3.48Å; R313-R422 HydrophobicContact CG-CB 4.43Å; R313-R422 HydrophobicContact CG-CG 4.24Å
314	T	96.4	Very high	88.2	Confident	29 Å²	29	49.2 Å²	49.2	18%	0.178	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.1	165.9	-55	0	0	0	0	107	H317 M378 Q420 F421	T314-H317 WeakPolarHBondContact CG2-CE1 3.18Å; T314-M378 HydrophobicContact CG2-SD 3.86Å; T314-Q420 WeakPolarHBondContact O-CA 3.3Å; T314-Q420 WeakPolarHBondContact O-CB 3.37Å; T314-F421 PolarHBondContact N-O 3.25Å; T314-F421 PolarHBondContact O-N 3.33Å
315	H	97.5	Very high	89.4	Confident	51 Å²	51	46.9 Å²	46.9	24%	0.236	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	172.4	-177.6	-74	-110.2	0	0	0	112.3	H317 C381 R382 Q383 W384	H315-H317 PolarHBondContact O-N 2.8Å; H315-H317 PolarHBondContact O-ND1 2.69Å; H315-C381 HydrophobicContact CB-CB 4.23Å; H315-C381 VanDerWaalsContact CB-O 3.29Å; H315-C381 WeakPolarHBondContact CB-O 3.44Å; H315-R382 PolarHBondContact CE1-O 3.42Å; H315-Q383 PolarHBondContact ND1-O 3.24Å; H315-W384 PolarHBondContact ND1-N 2.98Å
316	C	98.4	Very high	90.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	126.2	177.3	-68.9	0	0	0	0	111.6	L369 I371 C381 V385 V418 H419 Q420	C316-L369 HydrophobicContact CB-CD1 4.1Å; C316-I371 HydrophobicContact CB-CD1 4.14Å; C316-C381 HydrophobicContact CB-CB 4.04Å; C316-C381 WeakPolarHBondContact O-CB 3.3Å; C316-V385 VanDerWaalsContact SG-CG2 3.53Å; C316-V418 HydrophobicContact CB-CG1 3.86Å; C316-H419 CarbonylContact C-O 2.99Å; C316-H419 VanDerWaalsContact CA-O 3.27Å; C316-H419 WeakPolarHBondContact CA-O 2.98Å; C316-Q420 PolarHBondContact SG-OE1 3.41Å
317	H	97.7	Very high	90.5	Very high	11 Å²	11	44 Å²	44	5%	0.051	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	166.9	175	61	-74.5	0	0	0	110.1	T314 H315 D319 P377 Q380 V418 H419	T314-H317 WeakPolarHBondContact CG2-CE1 3.18Å; H315-H317 PolarHBondContact O-N 2.8Å; H315-H317 PolarHBondContact O-ND1 2.69Å; H317-D319 IonicContact CD2-OD1 3.38Å; H317-D319 IonicContact NE2-OD1 3.6Å; H317-P377 HydrophobicContact CB-CB 4.26Å; H317-P377 WeakPolarHBondContact CB-O 3.49Å; H317-Q380 HydrophobicContact CB-CB 4.21Å; H317-Q380 HydrophobicContact CB-CG 4.27Å; H317-Q380 VanDerWaalsContact CB-OE1 3.26Å; H317-V418 CarbonylContact O-C 3.48Å; H317-V418 VanDerWaalsContact O-CA 3.28Å; H317-V418 WeakPolarHBondContact O-CA 3.44Å; H317-H419 AromaticContact CD2-CE1 3.91Å; H317-H419 AromaticContact CD2-NE2 3.76Å; H317-H419 AromaticContact CE1-CD2 3.69Å; H317-H419 AromaticContact CE1-NE2 3.45Å; H317-H419 PolarHBondContact CE1-NE2 2.94Å; H317-H419 PolarHBondContact N-O 2.92Å; H317-H419 PolarHBondContact ND1-O 2.84Å; H317-H419 AromaticContact NE2-CD2 3.83Å; H317-H419 AromaticContact NE2-CE1 3.72Å; H317-H419 AromaticContact NE2-NE2 3.09Å; H317-H419 PolarHBondContact NE2-NE2 3.04Å; H317-H419 PolarHBondContact O-N 2.79Å
318	A	96	Very high	90.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.008	27%	0.269	C	S	.	.			trans	-126.3	143.5	164.8	0	0	0	0	0	110	H320 F362 Q380 V418	A318-H320 PolarHBondContact O-CE1 3.12Å; A318-H320 VanDerWaalsContact O-CE1 3.24Å; A318-H320 PolarHBondContact O-ND1 2.69Å; A318-F362 HydrophobicContact CB-CE2 3.67Å; A318-F362 HydrophobicContact CB-CZ 4.34Å; A318-Q380 PolarHBondContact O-NE2 2.74Å; A318-Q380 PolarHBondContact O-OE1 2.98Å; A318-V418 HydrophobicContact CB-CG2 4.25Å
319	D	94.9	Very high	90.6	Very high	18 Å²	18	45.4 Å²	45.4	10%	0.096	26%	0.261	C	S	.	.			trans	-80.3	133.7	-178.5	-63.5	-43.9	0	0	0	110.6	H317 T329 T330 A332 H419 H433	H317-D319 IonicContact CD2-OD1 3.38Å; H317-D319 IonicContact NE2-OD1 3.6Å; D319-T329 CarbonylContact O-C 3.35Å; D319-T329 VanDerWaalsContact O-CA 3.23Å; D319-T329 WeakPolarHBondContact O-CA 3.44Å; D319-T330 HydrophobicContact CB-CG2 3.76Å; D319-T330 PolarHBondContact O-N 3.06Å; D319-A332 HydrophobicContact CB-CB 4.48Å; D319-A332 WeakPolarHBondContact OD2-CB 3.08Å; D319-H419 IonicContact OD2-CE1 3.31Å; D319-H419 PolarHBondContact OD2-CE1 3.18Å; D319-H419 VanDerWaalsContact OD2-CE1 3.26Å; D319-H419 IonicContact OD2-NE2 2.67Å; D319-H433 IonicContact OD1-NE2 3.26Å
320	H	92.9	Very high	90.7	Very high	28 Å²	28	43.3 Å²	43.3	13%	0.13	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.4	179	-61	74	0	0	0	110.3	A318 R327 K328 T329	A318-H320 PolarHBondContact O-CE1 3.12Å; A318-H320 VanDerWaalsContact O-CE1 3.24Å; A318-H320 PolarHBondContact O-ND1 2.69Å; H320-R327 HydrophobicContact CB-CG 3.8Å; H320-K328 VanDerWaalsContact CA-O 3.24Å; H320-K328 WeakPolarHBondContact CA-O 3.08Å; H320-T329 WeakPolarHBondContact NE2-CG2 3.27Å
321	V	88.8	Confident	90.7	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	163.9	162.9	-67.8	0	0	0	0	109.1	D265 R327 K328 T330 H433 R435	D265-V321 WeakPolarHBondContact OD1-CG1 3.17Å; V321-R327 WeakPolarHBondContact O-CA 3.09Å; V321-K328 HydrophobicContact CG2-CD 4.38Å; V321-K328 HydrophobicContact CG2-CG 3.75Å; V321-K328 PolarHBondContact N-O 3.37Å; V321-K328 PolarHBondContact O-N 3.41Å; V321-K328 VanDerWaalsContact O-N 3.09Å; V321-T330 HydrophobicContact CG1-CG2 3.84Å; V321-H433 HydrophobicContact CG1-CB 4.15Å; V321-R435 HydrophobicContact CG1-CG 4.26Å; V321-R435 HydrophobicContact CG2-CG 4.34Å
322	D	84.4	Confident	90.8	Very high	58 Å²	58	40.3 Å²	40.3	31%	0.31	24%	0.239	S	C	.	.	S	Bend	trans	65.9	162.2	179	-49.1	-39.7	0	0	0	112.6	E326 K328 R435	D322-E326 HydrophobicContact CB-CB 4.23Å; D322-K328 WeakPolarHBondContact OD2-CE 3.38Å; D322-K328 IonicContact OD2-NZ 2.68Å; D322-R435 VanDerWaalsContact CG-NH1 3.32Å; D322-R435 IonicContact OD1-CZ 3.97Å; D322-R435 IonicContact OD1-NH1 3.95Å; D322-R435 PolarHBondContact OD1-NH1 2.75Å; D322-R435 IonicContact OD1-NH2 2.98Å; D322-R435 PolarHBondContact OD1-NH2 3.47Å; D322-R435 VanDerWaalsContact OD1-NH2 3.12Å; D322-R435 IonicContact OD2-NH1 2.76Å; D322-R435 PolarHBondContact OD2-NH1 3.17Å; D322-R435 VanDerWaalsContact OD2-NH1 3.13Å
323	G	77.6	Confident	90.9	Very high	54 Å²	54	40.4 Å²	40.4	56%	0.557	24%	0.239	S	C	*	.			trans	-112.1	162.7	-174.5	0	0	0	0	0	112.8	A325 E326	G323-A325 PolarHBondContact O-N 2.7Å; G323-E326 PolarHBondContact O-N 3.35Å
324	G	78.5	Confident	91	Very high	53 Å²	53	38 Å²	38	55%	0.546	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	59.1	-130.3	171.7	0	0	0	0	0	113.4	E326 R327	G324-E326 VanDerWaalsContact C-N 3.28Å; G324-E326 PolarHBondContact O-N 2.82Å; G324-R327 WeakPolarHBondContact O-CB 3.19Å; G324-R327 PolarHBondContact O-N 3.13Å
325	A	75.4	Confident	91.1	Very high	113 Å²	113	36.6 Å²	36.6	93%	0.934	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-71.6	-18.7	-177.1	0	0	0	0	0	114.1	G323 R327	G323-A325 PolarHBondContact O-N 2.7Å; A325-R327 VanDerWaalsContact C-N 3.35Å
326	E	79.5	Confident	91.2	Very high	150 Å²	150	34.1 Å²	34.1	70%	0.701	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-90.9	-2.4	179.2	-62.1	-172.7	166.5	0	0	112.7	D322 G323 G324 K328	D322-E326 HydrophobicContact CB-CB 4.23Å; G323-E326 PolarHBondContact O-N 3.35Å; G324-E326 VanDerWaalsContact C-N 3.28Å; G324-E326 PolarHBondContact O-N 2.82Å; E326-K328 PolarHBondContact O-N 3.43Å
327	R	84.2	Confident	91.1	Very high	70 Å²	70	34.5 Å²	34.5	26%	0.264	21%	0.212	S	C	.	.			trans	-57.1	122.3	-178.7	-171.9	173.1	-173.7	148.4	-7.4	109.9	H320 V321 G324 A325 L373 F374 E375	H320-R327 HydrophobicContact CB-CG 3.8Å; V321-R327 WeakPolarHBondContact O-CA 3.09Å; G324-R327 WeakPolarHBondContact O-CB 3.19Å; G324-R327 PolarHBondContact O-N 3.13Å; A325-R327 VanDerWaalsContact C-N 3.35Å; R327-L373 PolarHBondContact NE-O 3.3Å; R327-L373 PolarHBondContact NH1-O 2.97Å; R327-L373 PolarHBondContact NH2-O 3.34Å; R327-F374 VanDerWaalsContact NH1-C 3.29Å; R327-F374 VanDerWaalsContact NH1-CA 3.34Å; R327-F374 PolarHBondContact NH1-O 3.3Å; R327-E375 PolarHBondContact NH2-O 3.23Å
328	K	89.5	Confident	91.1	Very high	110 Å²	110	34 Å²	34	48%	0.478	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.2	-178.9	65.4	-172.3	175.6	-162.3	0	110.7	H320 V321 D322 E326 T330	H320-K328 VanDerWaalsContact CA-O 3.24Å; H320-K328 WeakPolarHBondContact CA-O 3.08Å; V321-K328 HydrophobicContact CG2-CD 4.38Å; V321-K328 HydrophobicContact CG2-CG 3.75Å; V321-K328 PolarHBondContact N-O 3.37Å; V321-K328 PolarHBondContact O-N 3.41Å; V321-K328 VanDerWaalsContact O-N 3.09Å; D322-K328 WeakPolarHBondContact OD2-CE 3.38Å; D322-K328 IonicContact OD2-NZ 2.68Å; E326-K328 PolarHBondContact O-N 3.43Å; K328-T330 PolarHBondContact O-N 3.05Å
329	T	91.9	Very high	91.1	Very high	23 Å²	23	34 Å²	34	14%	0.141	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	138	173.6	57.2	0	0	0	0	110.2	D319 H320 F362 K416	D319-T329 CarbonylContact O-C 3.35Å; D319-T329 VanDerWaalsContact O-CA 3.23Å; D319-T329 WeakPolarHBondContact O-CA 3.44Å; H320-T329 WeakPolarHBondContact NE2-CG2 3.27Å; T329-F362 HydrophobicContact CG2-CE1 4.43Å; T329-F362 HydrophobicContact CG2-CE2 4Å; T329-F362 HydrophobicContact CG2-CZ 3.71Å; T329-K416 HydrophobicContact CG2-CG 4.17Å; T329-K416 VanDerWaalsContact OG1-CG 3.3Å; T329-K416 WeakPolarHBondContact OG1-CG 3.45Å; T329-K416 PolarHBondContact OG1-N 2.68Å
330	T	95	Very high	90.7	Very high	9 Å²	9	35.1 Å²	35.1	6%	0.055	21%	0.214	C	C	.	.			trans	-118.1	160.9	177.8	-172.9	0	0	0	0	110.4	D319 V321 K328 R415 H433 A434	D319-T330 HydrophobicContact CB-CG2 3.76Å; D319-T330 PolarHBondContact O-N 3.06Å; V321-T330 HydrophobicContact CG1-CG2 3.84Å; K328-T330 PolarHBondContact O-N 3.05Å; T330-R415 WeakPolarHBondContact O-CA 3.49Å; T330-H433 HydrophobicContact CG2-CB 3.76Å; T330-A434 PolarHBondContact OG1-O 3.13Å
331	A	97	Very high	89.7	Confident	2 Å²	2	34.6 Å²	34.6	2%	0.017	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	156.1	161.8	0	0	0	0	0	111	M139 L413 H433 A434 L436	M139-A331 HydrophobicContact CE-CB 3.3Å; M139-A331 HydrophobicContact SD-CB 4.37Å; A331-L413 CarbonylContact C-O 3.49Å; A331-L413 WeakPolarHBondContact CA-O 3.16Å; A331-L413 VanDerWaalsContact CB-O 3.27Å; A331-L413 WeakPolarHBondContact CB-O 3.34Å; A331-H433 CarbonylContact O-C 3.54Å; A331-H433 WeakPolarHBondContact O-CA 3.32Å; A331-A434 HydrophobicContact CB-CB 4.47Å; A331-A434 WeakPolarHBondContact CB-O 3.44Å; A331-A434 PolarHBondContact O-N 3.12Å; A331-L436 HydrophobicContact CB-CD1 4.04Å; A331-L436 HydrophobicContact CB-CD2 4.31Å; A331-L436 HydrophobicContact CB-CG 4.03Å
332	A	98	Very high	88.7	Confident	9 Å²	9	43.3 Å²	43.3	7%	0.074	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.9	173	0	0	0	0	0	111.2	D319 V412 L413 W432	D319-A332 HydrophobicContact CB-CB 4.48Å; D319-A332 WeakPolarHBondContact OD2-CB 3.08Å; A332-V412 CarbonylContact O-C 3.59Å; A332-V412 WeakPolarHBondContact O-CA 3.49Å; A332-L413 HydrophobicContact CB-CB 4.34Å; A332-L413 PolarHBondContact N-O 3.2Å; A332-L413 PolarHBondContact O-N 2.77Å; A332-W432 WeakPolarHBondContact CA-O 3.2Å
333	V	98.6	Very high	87.9	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.5	179.5	-175.4	0	0	0	0	107.7	L243 I246 Y411 V412 A431 W432 A434	L243-V333 HydrophobicContact CD2-CG1 4.38Å; I246-V333 HydrophobicContact CB-CG2 4.46Å; I246-V333 HydrophobicContact CG1-CG2 3.72Å; I246-V333 HydrophobicContact CG2-CG1 4.08Å; I246-V333 HydrophobicContact CG2-CG2 3.96Å; V333-Y411 WeakPolarHBondContact CA-O 3.47Å; V333-V412 HydrophobicContact CG1-CG1 4.13Å; V333-V412 HydrophobicContact CG2-CG1 4.03Å; V333-A431 CarbonylContact O-C 3.57Å; V333-A431 WeakPolarHBondContact O-CA 3.34Å; V333-A431 WeakPolarHBondContact O-CB 3.29Å; V333-W432 HydrophobicContact CB-CD2 4.23Å; V333-W432 HydrophobicContact CB-CZ2 4.03Å; V333-W432 HydrophobicContact CG1-CH2 4.2Å; V333-W432 HydrophobicContact CG1-CZ2 3.6Å; V333-W432 PolarHBondContact N-O 3.02Å; V333-W432 PolarHBondContact O-N 3.06Å; V333-A434 HydrophobicContact CG2-CB 4.04Å
334	A	98.7	Very high	87.4	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	159.6	168.6	0	0	0	0	0	113.4	I410 Y411 V430 A431	A334-I410 WeakPolarHBondContact O-CA 3.1Å; A334-Y411 HydrophobicContact CB-CD1 4.29Å; A334-Y411 HydrophobicContact CB-CE1 3.59Å; A334-Y411 HydrophobicContact CB-CE2 3.86Å; A334-Y411 WeakPolarHBondContact CB-OH 3.16Å; A334-Y411 PolarHBondContact N-O 3.39Å; A334-Y411 PolarHBondContact O-N 3.41Å; A334-V430 CarbonylContact C-O 3.58Å; A334-V430 WeakPolarHBondContact CA-O 3.41Å; A334-V430 WeakPolarHBondContact CB-O 3.33Å; A334-A431 HydrophobicContact CB-CB 3.68Å
335	V	98.8	Very high	86.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.6	177.5	-169.8	0	0	0	0	108.6	A157 L160 F163 L243 I410 V430 W432	A157-V335 HydrophobicContact CB-CG1 3.49Å; A157-V335 VanDerWaalsContact CB-CG1 3.49Å; L160-V335 HydrophobicContact CD1-CG1 4.31Å; F163-V335 HydrophobicContact CE2-CB 3.99Å; F163-V335 HydrophobicContact CE2-CG1 3.74Å; F163-V335 HydrophobicContact CZ-CB 4.34Å; F163-V335 HydrophobicContact CZ-CG1 3.78Å; L243-V335 HydrophobicContact CD1-CG2 3.61Å; L243-V335 HydrophobicContact CD2-CG2 3.56Å; L243-V335 HydrophobicContact CG-CG2 4.22Å; V335-I410 HydrophobicContact CG1-CG1 4.11Å; V335-I410 HydrophobicContact CG2-CG1 4.24Å; V335-V430 PolarHBondContact N-O 3.14Å; V335-V430 PolarHBondContact O-N 3.19Å; V335-W432 HydrophobicContact CG2-CH2 3.97Å; V335-W432 HydrophobicContact CG2-CZ3 4.17Å
336	L	98.8	Very high	86.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125	-176.6	-56.9	-179.4	0	0	0	110.7	V351 K352 L405 N408 D409 Y411 V427 S429	L336-V351 HydrophobicContact CB-CG2 4.15Å; L336-V351 HydrophobicContact CD1-CG2 3.72Å; L336-V351 HydrophobicContact CG-CG2 4.49Å; L336-K352 HydrophobicContact CD1-CD 4.08Å; L336-K352 HydrophobicContact CD2-CD 3.93Å; L336-L405 HydrophobicContact CD1-CB 3.65Å; L336-L405 HydrophobicContact CD1-CD1 3.97Å; L336-L405 HydrophobicContact CD1-CG 4.43Å; L336-N408 WeakPolarHBondContact O-CA 3.37Å; L336-N408 PolarHBondContact O-N 2.85Å; L336-D409 PolarHBondContact N-O 3.23Å; L336-Y411 HydrophobicContact CD1-CD1 4.12Å; L336-Y411 HydrophobicContact CD1-CE1 3.91Å; L336-Y411 HydrophobicContact CD2-CE1 4.08Å; L336-Y411 HydrophobicContact CG-CD1 4.31Å; L336-Y411 HydrophobicContact CG-CE1 3.99Å; L336-V427 HydrophobicContact CB-CG2 4.21Å; L336-V427 HydrophobicContact CD2-CG2 4.31Å; L336-S429 WeakPolarHBondContact CD2-OG 3.11Å
337	K	97.8	Very high	87	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.035	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	115.3	170.5	-58.9	-63	-65.6	102.1	0	108.7	A157 P161 F163 D407 N408 V427 T428	A157-K337 HydrophobicContact CB-CD 4.11Å; P161-K337 WeakPolarHBondContact O-CE 3.16Å; F163-K337 HydrophobicContact CD1-CG 4.04Å; F163-K337 HydrophobicContact CD2-CB 4.14Å; F163-K337 HydrophobicContact CD2-CG 3.49Å; F163-K337 VanDerWaalsContact CD2-CG 3.49Å; F163-K337 HydrophobicContact CE1-CG 4.07Å; F163-K337 HydrophobicContact CE2-CD 4.47Å; F163-K337 HydrophobicContact CE2-CG 3.53Å; F163-K337 HydrophobicContact CG-CB 4.36Å; F163-K337 HydrophobicContact CG-CG 3.77Å; F163-K337 HydrophobicContact CZ-CD 4.38Å; F163-K337 HydrophobicContact CZ-CG 3.83Å; K337-D407 VanDerWaalsContact CA-OD1 3.28Å; K337-D407 WeakPolarHBondContact CA-OD1 3.27Å; K337-D407 IonicContact NZ-OD1 3.72Å; K337-D407 PolarHBondContact NZ-OD1 3.14Å; K337-D407 VanDerWaalsContact NZ-OD1 3.14Å; K337-D407 IonicContact NZ-OD2 3.56Å; K337-N408 WeakPolarHBondContact CE-OD1 3.19Å; K337-N408 PolarHBondContact NZ-OD1 2.86Å; K337-V427 WeakPolarHBondContact O-CA 3.49Å; K337-V427 WeakPolarHBondContact O-CG2 3.22Å; K337-T428 PolarHBondContact N-O 2.9Å; K337-T428 PolarHBondContact O-N 3.24Å
338	A	97	Very high	87.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	146.3	174.1	0	0	0	0	0	110.4	N162 V351 D407 A426	N162-A338 PolarHBondContact ND2-O 2.92Å; A338-V351 HydrophobicContact CB-CG1 3.78Å; A338-D407 HydrophobicContact CB-CB 3.64Å; A338-D407 PolarHBondContact N-OD1 3.25Å; A338-A426 WeakPolarHBondContact CA-O 3.44Å
339	V	96	Very high	87.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.254	C	S	.	.			trans	-82.5	128.9	165.6	-179.6	0	0	0	0	106.9	F164 V199 Y203 F208 I271 A426	F164-V339 HydrophobicContact CB-CG2 4.35Å; F164-V339 HydrophobicContact CD1-CG1 3.98Å; F164-V339 HydrophobicContact CE1-CG1 4.21Å; V199-V339 HydrophobicContact CG1-CG1 3.91Å; Y203-V339 HydrophobicContact CD2-CG1 4.11Å; Y203-V339 HydrophobicContact CE2-CB 4.33Å; Y203-V339 HydrophobicContact CE2-CG1 4.11Å; Y203-V339 WeakPolarHBondContact CE2-O 3.37Å; Y203-V339 VanDerWaalsContact CZ-O 3.27Å; Y203-V339 PolarHBondContact OH-O 2.81Å; F208-V339 HydrophobicContact CE1-CG2 4.43Å; I271-V339 HydrophobicContact CG2-CG2 4.02Å; V339-A426 HydrophobicContact CB-CB 3.85Å; V339-A426 HydrophobicContact CG2-CB 4.31Å; V339-A426 PolarHBondContact N-O 2.86Å
340	H	86.3	Confident	87.9	Confident	42 Å²	42	51.7 Å²	51.7	19%	0.194	26%	0.256	C	S	.	.			trans	-104.2	-22.3	-175	-71.3	-56	0	0	0	113.3	Y203 E342 D343 D407	Y203-H340 WeakPolarHBondContact CE1-O 3.46Å; Y203-H340 VanDerWaalsContact CZ-C 3.5Å; Y203-H340 VanDerWaalsContact CZ-O 3.32Å; H340-E342 PolarHBondContact O-N 3.18Å; H340-D343 VanDerWaalsContact CB-O 3.32Å; H340-D343 WeakPolarHBondContact CB-O 3.3Å; H340-D343 WeakPolarHBondContact O-CB 3.48Å; H340-D343 PolarHBondContact O-N 2.95Å; H340-D343 VanDerWaalsContact O-O 3.1Å; H340-D407 IonicContact CE1-OD2 3.68Å; H340-D407 IonicContact NE2-OD2 3.26Å; H340-D407 PolarHBondContact NE2-OD2 3.43Å
341	G	72	Confident	88.1	Confident	18 Å²	18	51.3 Å²	51.3	19%	0.186	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	-136.4	-167.1	0	0	0	0	0	110	D343	G341-D343 VanDerWaalsContact C-N 3.35Å
342	E	68.2	Low	88.1	Confident	189 Å²	189	51.4 Å²	51.4	88%	0.883	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-14.4	170.8	-61.2	-171.9	166.6	0	0	112.9	H340	H340-E342 PolarHBondContact O-N 3.18Å
343	D	67.2	Low	88.2	Confident	65 Å²	65	53.7 Å²	53.7	35%	0.348	26%	0.263	S	S	.	.			trans	-80.5	121.6	-174.3	-64.8	-31.7	0	0	0	111.2	Y203 H340 G341 P345	Y203-D343 HydrophobicContact CE1-CB 4.14Å; Y203-D343 WeakPolarHBondContact CE1-OD2 3.37Å; H340-D343 VanDerWaalsContact CB-O 3.32Å; H340-D343 WeakPolarHBondContact CB-O 3.3Å; H340-D343 WeakPolarHBondContact O-CB 3.48Å; H340-D343 PolarHBondContact O-N 2.95Å; H340-D343 VanDerWaalsContact O-O 3.1Å; G341-D343 VanDerWaalsContact C-N 3.35Å; D343-P345 WeakPolarHBondContact O-CD 3.46Å
344	R	67.9	Low	88.2	Confident	230 Å²	230	53.7 Å²	53.7	87%	0.868	26%	0.263	S	S	*	.			trans	-98.7	95.2	165.5	-66.8	-174.4	-176.7	171.8	1.8	108.6
345	P	67.7	Low	88.2	Confident	46 Å²	46	54 Å²	54	30%	0.299	27%	0.265	S	S	.	.			trans	-64.6	144.9	-176.7	27.1	-34.5	0	0	0	110.9	D343 L347	D343-P345 WeakPolarHBondContact O-CD 3.46Å; P345-L347 PolarHBondContact O-N 2.89Å
346	N	71.7	Confident	88.2	Confident	169 Å²	169	54 Å²	54	90%	0.904	27%	0.265	S	S	*	.	S	Bend	trans	-72.2	-17.8	176.2	-67.3	-29	0	0	0	113.2
347	L	85.3	Confident	88.2	Confident	146 Å²	146	54.1 Å²	54.1	76%	0.764	27%	0.265	S	S	*	.	S	Bend	trans	-120.4	148.1	-176.7	-64.9	175.4	0	0	0	110.6	P345 R349	P345-L347 PolarHBondContact O-N 2.89Å; L347-R349 PolarHBondContact O-N 3.04Å
348	N	91.5	Very high	88.2	Confident	64 Å²	64	54.6 Å²	54.6	34%	0.342	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-67.9	121.3	173.7	-166.5	-6.4	0	0	0	109.5	N155 D407	N155-N348 PolarHBondContact OD1-ND2 3.02Å; N155-N348 VanDerWaalsContact OD1-ND2 3.17Å; N348-D407 PolarHBondContact ND2-O 3.27Å; N348-D407 VanDerWaalsContact OD1-CB 3.26Å; N348-D407 WeakPolarHBondContact OD1-CB 3.34Å; N348-D407 PolarHBondContact OD1-N 3.31Å; N348-D407 PolarHBondContact OD1-O 3.05Å
349	R	94.8	Very high	88.3	Confident	54 Å²	54	54.9 Å²	54.9	20%	0.204	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-83.2	135	-170.8	-174.6	174.8	-67.8	-85.5	6	110.7	E205 L347 V351 Y406 D407 S425	E205-R349 PolarHBondContact O-NH1 2.84Å; E205-R349 PolarHBondContact O-NH2 2.83Å; E205-R349 IonicContact OE2-NH2 3.12Å; L347-R349 PolarHBondContact O-N 3.04Å; R349-V351 PolarHBondContact O-N 2.68Å; R349-Y406 CarbonylContact O-C 3.47Å; R349-Y406 VanDerWaalsContact O-CA 3.22Å; R349-Y406 WeakPolarHBondContact O-CA 3.42Å; R349-D407 PolarHBondContact O-N 3.21Å; R349-S425 VanDerWaalsContact CD-OG 3.23Å; R349-S425 WeakPolarHBondContact CD-OG 3.28Å; R349-S425 WeakPolarHBondContact CG-OG 3.37Å
350	V	97.6	Very high	88.4	Confident	33 Å²	33	57.5 Å²	57.5	20%	0.2	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	119.6	166.4	179.6	0	0	0	0	108.7	Q404 Y406 S425	V350-Q404 HydrophobicContact CG1-CB 3.95Å; V350-Q404 HydrophobicContact CG1-CG 3.99Å; V350-Q404 HydrophobicContact CG2-CB 4.35Å; V350-Y406 HydrophobicContact CB-CE1 4.44Å; V350-Y406 HydrophobicContact CG2-CD1 3.77Å; V350-Y406 HydrophobicContact CG2-CE1 3.28Å; V350-Y406 HydrophobicContact CG2-CE2 4.49Å; V350-S425 PolarHBondContact O-OG 2.95Å
351	V	98.4	Very high	89	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-31.4	-179.1	-67	0	0	0	0	112.8	L336 A338 R349 L405 T423 V424 S425 V427	L336-V351 HydrophobicContact CB-CG2 4.15Å; L336-V351 HydrophobicContact CD1-CG2 3.72Å; L336-V351 HydrophobicContact CG-CG2 4.49Å; A338-V351 HydrophobicContact CB-CG1 3.78Å; R349-V351 PolarHBondContact O-N 2.68Å; V351-L405 WeakPolarHBondContact CG2-O 3.34Å; V351-L405 PolarHBondContact N-O 2.99Å; V351-T423 WeakPolarHBondContact O-CA 3.45Å; V351-V424 PolarHBondContact O-N 3.4Å; V351-S425 WeakPolarHBondContact CA-OG 3.46Å; V351-S425 PolarHBondContact O-N 3.21Å; V351-V427 HydrophobicContact CB-CB 3.87Å; V351-V427 HydrophobicContact CB-CG1 4.37Å; V351-V427 HydrophobicContact CB-CG2 3.82Å; V351-V427 HydrophobicContact CG1-CB 4.02Å; V351-V427 HydrophobicContact CG1-CG2 3.96Å; V351-V427 HydrophobicContact CG2-CG2 4.02Å
352	K	98.7	Very high	90.2	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.022	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	146.1	-179	-70.4	176.6	176.4	-76.1	0	111.6	L336 Q404 L405 F421 R422 T423 S429	L336-K352 HydrophobicContact CD1-CD 4.08Å; L336-K352 HydrophobicContact CD2-CD 3.93Å; K352-Q404 WeakPolarHBondContact O-CA 3.45Å; K352-L405 HydrophobicContact CB-CB 4.19Å; K352-L405 HydrophobicContact CB-CD1 4.29Å; K352-L405 PolarHBondContact N-O 2.71Å; K352-L405 PolarHBondContact O-N 3.24Å; K352-F421 HydrophobicContact CD-CD1 4.16Å; K352-R422 CarbonylContact C-O 3.53Å; K352-R422 VanDerWaalsContact CA-O 3.25Å; K352-R422 WeakPolarHBondContact CA-O 3.31Å; K352-T423 PolarHBondContact NZ-OG1 3.3Å; K352-S429 WeakPolarHBondContact CE-OG 3.43Å
353	E	98.6	Very high	91.6	Very high	57 Å²	57	53.2 Å²	53.2	27%	0.266	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140.3	159.8	-74.9	170.8	165.2	0	0	108.2	L403 Q404 F421 R422 V424	E353-L403 CarbonylContact C-O 3.6Å; E353-L403 WeakPolarHBondContact CA-O 2.96Å; E353-Q404 HydrophobicContact CG-CG 4.1Å; E353-F421 WeakPolarHBondContact O-CA 3.33Å; E353-R422 HydrophobicContact CB-CB 4.33Å; E353-R422 PolarHBondContact N-O 3.27Å; E353-R422 PolarHBondContact O-N 3.35Å; E353-R422 IonicContact OE2-CZ 3.37Å; E353-R422 IonicContact OE2-NH1 3.37Å; E353-R422 PolarHBondContact OE2-NH1 3.19Å; E353-V424 HydrophobicContact CB-CG2 4.27Å; E353-V424 HydrophobicContact CG-CG2 3.75Å
354	V	98.7	Very high	93.1	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.4	-179.3	62.8	0	0	0	0	110.6	M150 C356 V402 L403 L405 Q420 F421	M150-V354 HydrophobicContact CE-CG1 4.07Å; M150-V354 HydrophobicContact CE-CG2 4.02Å; M150-V354 HydrophobicContact SD-CG1 4.17Å; V354-C356 WeakPolarHBondContact CG2-SG 3.42Å; V354-V402 CarbonylContact O-C 3.58Å; V354-V402 VanDerWaalsContact O-CA 3.32Å; V354-V402 WeakPolarHBondContact O-CA 3.36Å; V354-L403 HydrophobicContact CG1-CB 3.7Å; V354-L403 HydrophobicContact CG1-CD1 4.27Å; V354-L403 HydrophobicContact CG1-CG 4.42Å; V354-L403 PolarHBondContact N-O 2.8Å; V354-L403 PolarHBondContact O-N 2.87Å; V354-L405 HydrophobicContact CG1-CD1 4.19Å; V354-L405 HydrophobicContact CG1-CG 4.22Å; V354-Q420 VanDerWaalsContact CA-O 3.31Å; V354-Q420 WeakPolarHBondContact CA-O 3.35Å; V354-Q420 WeakPolarHBondContact CG2-O 3.43Å; V354-F421 HydrophobicContact CB-CD1 3.71Å; V354-F421 HydrophobicContact CB-CE1 3.65Å; V354-F421 HydrophobicContact CG2-CD1 3.7Å; V354-F421 HydrophobicContact CG2-CE1 3.37Å; V354-F421 HydrophobicContact CG2-CG 4.49Å; V354-F421 HydrophobicContact CG2-CZ 3.94Å
355	V	98.8	Very high	94.6	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.2	162.3	-178.7	0	0	0	0	107.4	F357 L390 A401 V402 H419 Q420	V355-F357 HydrophobicContact CG1-CE1 4.43Å; V355-F357 HydrophobicContact CG1-CE2 3.96Å; V355-F357 HydrophobicContact CG1-CZ 3.91Å; V355-L390 HydrophobicContact CG1-CD2 3.78Å; V355-L390 HydrophobicContact CG2-CD1 4.3Å; V355-A401 WeakPolarHBondContact CA-O 3.14Å; V355-V402 HydrophobicContact CG2-CG1 4.49Å; V355-V402 HydrophobicContact CG2-CG2 4.18Å; V355-H419 CarbonylContact O-C 3.57Å; V355-H419 WeakPolarHBondContact O-CA 3.34Å; V355-H419 VanDerWaalsContact O-CB 3.3Å; V355-H419 WeakPolarHBondContact O-CB 3.24Å; V355-Q420 HydrophobicContact CB-CG 3.87Å; V355-Q420 HydrophobicContact CG2-CG 3.97Å; V355-Q420 PolarHBondContact N-O 3.42Å; V355-Q420 PolarHBondContact O-N 3.48Å
356	C	98.8	Very high	96	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.9	172.7	-58.7	0	0	0	0	110.1	V149 V354 Y400 A401 V417 H419	V149-C356 HydrophobicContact CB-CB 3.65Å; V149-C356 HydrophobicContact CG1-CB 4.46Å; V149-C356 HydrophobicContact CG2-CB 3.78Å; V354-C356 WeakPolarHBondContact CG2-SG 3.42Å; C356-Y400 CarbonylContact O-C 3.51Å; C356-Y400 WeakPolarHBondContact O-CA 3.37Å; C356-Y400 WeakPolarHBondContact O-CB 3.21Å; C356-A401 PolarHBondContact N-O 3.39Å; C356-A401 PolarHBondContact O-N 3.27Å; C356-V417 HydrophobicContact CB-CG1 3.81Å; C356-H419 HydrophobicContact CB-CB 4.46Å
357	F	98.8	Very high	97.2	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.009	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	144.6	176.4	-63.2	-81.3	0	0	0	111.3	V355 V365 L369 V385 L390 L393 I398 R399 V418	V355-F357 HydrophobicContact CG1-CE1 4.43Å; V355-F357 HydrophobicContact CG1-CE2 3.96Å; V355-F357 HydrophobicContact CG1-CZ 3.91Å; F357-V365 HydrophobicContact CB-CG1 4.42Å; F357-V365 HydrophobicContact CB-CG2 3.95Å; F357-V365 HydrophobicContact CD1-CG1 4.47Å; F357-V365 HydrophobicContact CD1-CG2 3.94Å; F357-V365 HydrophobicContact CD2-CG1 3.93Å; F357-V365 HydrophobicContact CE2-CG1 4.31Å; F357-V365 HydrophobicContact CG-CG1 4.01Å; F357-V365 HydrophobicContact CG-CG2 3.94Å; F357-L369 HydrophobicContact CE2-CD1 4.32Å; F357-L369 HydrophobicContact CZ-CD1 4.42Å; F357-V385 HydrophobicContact CZ-CG1 4.23Å; F357-L390 HydrophobicContact CE1-CD2 3.99Å; F357-L390 HydrophobicContact CZ-CD2 3.95Å; F357-L393 HydrophobicContact CE1-CD1 3.68Å; F357-L393 HydrophobicContact CZ-CD1 3.87Å; F357-I398 HydrophobicContact CD1-CG2 3.65Å; F357-I398 HydrophobicContact CE1-CG2 4.13Å; F357-R399 WeakPolarHBondContact CA-O 3.32Å; F357-V418 HydrophobicContact CB-CB 4.35Å; F357-V418 HydrophobicContact CD2-CB 3.99Å; F357-V418 HydrophobicContact CD2-CG1 3.91Å; F357-V418 WeakPolarHBondContact CD2-O 3.15Å; F357-V418 HydrophobicContact CE2-CG1 4.42Å; F357-V418 PolarHBondContact N-O 3.4Å
358	H	98.7	Very high	97.8	Very high	19 Å²	19	35.1 Å²	35.1	9%	0.088	19%	0.185	C	C	.	.			trans	-65.8	137.6	-179.2	-168.4	-71.1	0	0	0	111.8	A109 V149 A360 D361 R399	A109-H358 HydrophobicContact CB-CB 4.43Å; V149-H358 HydrophobicContact CG1-CB 4.18Å; H358-A360 VanDerWaalsContact C-N 3.34Å; H358-A360 PolarHBondContact ND1-N 3.17Å; H358-A360 VanDerWaalsContact ND1-N 3.15Å; H358-A360 PolarHBondContact O-N 2.87Å; H358-D361 WeakPolarHBondContact O-CA 3.43Å; H358-D361 WeakPolarHBondContact O-CB 3.27Å; H358-D361 PolarHBondContact O-N 3.22Å; H358-R399 HydrophobicContact CB-CB 3.68Å; H358-R399 PolarHBondContact N-O 3.14Å
359	A	98.3	Very high	98.1	Very high	6 Å²	6	32.3 Å²	32.3	5%	0.05	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-60.5	-35.8	-174.2	0	0	0	0	0	114.5	V145 P146 D361 F362 K416	V145-A359 HydrophobicContact CG1-CB 4.01Å; P146-A359 HydrophobicContact CB-CB 4.12Å; P146-A359 HydrophobicContact CG-CB 4.04Å; A359-D361 PolarHBondContact O-N 3.23Å; A359-D361 VanDerWaalsContact O-N 3.16Å; A359-F362 WeakPolarHBondContact O-CB 3.46Å; A359-F362 PolarHBondContact O-N 3.49Å; A359-K416 WeakPolarHBondContact CA-O 3.33Å; A359-K416 HydrophobicContact CB-CB 3.92Å
360	A	98.2	Very high	98.2	Very high	54 Å²	54	36.5 Å²	36.5	45%	0.446	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-63	-14.9	172	0	0	0	0	0	114.5	V145 H358	V145-A360 HydrophobicContact CG1-CB 3.67Å; H358-A360 VanDerWaalsContact C-N 3.34Å; H358-A360 PolarHBondContact ND1-N 3.17Å; H358-A360 VanDerWaalsContact ND1-N 3.15Å; H358-A360 PolarHBondContact O-N 2.87Å
361	D	98.5	Very high	98.2	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.053	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-99.9	4.1	176.1	-54.5	-35.4	0	0	0	112	H358 A359 E363 R364 V365 I398 R399	H358-D361 WeakPolarHBondContact O-CA 3.43Å; H358-D361 WeakPolarHBondContact O-CB 3.27Å; H358-D361 PolarHBondContact O-N 3.22Å; A359-D361 PolarHBondContact O-N 3.23Å; A359-D361 VanDerWaalsContact O-N 3.16Å; D361-E363 PolarHBondContact O-N 2.9Å; D361-R364 PolarHBondContact O-N 2.91Å; D361-R364 VanDerWaalsContact O-N 3.13Å; D361-V365 HydrophobicContact CB-CG2 4.28Å; D361-V365 WeakPolarHBondContact O-CG2 3.49Å; D361-V365 PolarHBondContact O-N 3.3Å; D361-I398 HydrophobicContact CB-CD1 4Å; D361-I398 HydrophobicContact CB-CG2 4.29Å; D361-R399 IonicContact OD1-CZ 3.64Å; D361-R399 IonicContact OD1-NE 3.77Å; D361-R399 IonicContact OD1-NH2 3.67Å; D361-R399 PolarHBondContact OD1-NH2 3.45Å; D361-R399 WeakPolarHBondContact OD2-CB 3.37Å; D361-R399 IonicContact OD2-CZ 2.77Å; D361-R399 PolarHBondContact OD2-N 3.45Å; D361-R399 IonicContact OD2-NE 3.85Å; D361-R399 PolarHBondContact OD2-NE 2.83Å; D361-R399 IonicContact OD2-NH2 3.15Å; D361-R399 PolarHBondContact OD2-NH2 3.49Å
362	F	98.3	Very high	98	Very high	14 Å²	14	38.9 Å²	38.9	6%	0.061	21%	0.207	C	C	.	.	H	α-helix	trans	-49.1	-59.9	-173	179	-98.6	0	0	0	113.5	A318 T329 A359 R364 V365 V366 L373 K416 V418	A318-F362 HydrophobicContact CB-CE2 3.67Å; A318-F362 HydrophobicContact CB-CZ 4.34Å; T329-F362 HydrophobicContact CG2-CE1 4.43Å; T329-F362 HydrophobicContact CG2-CE2 4Å; T329-F362 HydrophobicContact CG2-CZ 3.71Å; A359-F362 WeakPolarHBondContact O-CB 3.46Å; A359-F362 PolarHBondContact O-N 3.49Å; F362-R364 PolarHBondContact O-N 3.48Å; F362-V365 PolarHBondContact O-N 3.27Å; F362-V365 VanDerWaalsContact O-N 3.11Å; F362-V366 HydrophobicContact CD1-CG2 4.37Å; F362-V366 HydrophobicContact CD2-CG2 4.48Å; F362-V366 HydrophobicContact CE1-CG2 4.1Å; F362-V366 HydrophobicContact CE2-CG2 4.24Å; F362-V366 HydrophobicContact CZ-CG2 4.03Å; F362-V366 WeakPolarHBondContact O-CG2 3.28Å; F362-V366 PolarHBondContact O-N 3.44Å; F362-L373 HydrophobicContact CE1-CD1 3.93Å; F362-L373 HydrophobicContact CZ-CD1 3.8Å; F362-L373 HydrophobicContact CZ-CD2 4.04Å; F362-K416 HydrophobicContact CB-CB 4.33Å; F362-K416 HydrophobicContact CD2-CB 4.04Å; F362-K416 WeakPolarHBondContact CD2-O 3.47Å; F362-K416 HydrophobicContact CG-CB 4.17Å; F362-V418 HydrophobicContact CD2-CG2 3.75Å; F362-V418 HydrophobicContact CE2-CG2 3.87Å
363	E	97.6	Very high	97.7	Very high	135 Å²	135	40.3 Å²	40.3	63%	0.631	22%	0.215	S	C	*	.	H	α-helix	trans	-58.6	-37.5	-178.1	-61.7	-57.1	153.1	0	0	112.4	D361 S367	D361-E363 PolarHBondContact O-N 2.9Å; E363-S367 WeakPolarHBondContact O-CB 3.16Å; E363-S367 PolarHBondContact O-N 3.18Å
364	R	98.3	Very high	97.3	Very high	110 Å²	110	44.7 Å²	44.7	42%	0.415	23%	0.233	S	C	.	.	H	α-helix	trans	-71.1	-40.2	179.5	-61.1	178.2	64.7	-149.4	-1.8	111.1	D361 F362 S367 L368 L396 I398	D361-R364 PolarHBondContact O-N 2.91Å; D361-R364 VanDerWaalsContact O-N 3.13Å; F362-R364 PolarHBondContact O-N 3.48Å; R364-S367 PolarHBondContact O-N 2.89Å; R364-L368 VanDerWaalsContact O-CB 3.24Å; R364-L368 WeakPolarHBondContact O-CB 3.46Å; R364-L368 WeakPolarHBondContact O-CD1 3.24Å; R364-L368 WeakPolarHBondContact O-CG 3.23Å; R364-L368 PolarHBondContact O-N 3.5Å; R364-L396 PolarHBondContact NH1-O 3.13Å; R364-L396 PolarHBondContact NH2-O 3.09Å; R364-I398 HydrophobicContact CB-CD1 3.72Å
365	V	98.5	Very high	96.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.2	-45	176	172.8	0	0	0	0	110.4	F357 D361 F362 S367 L368 L369 I371 I398 V418	F357-V365 HydrophobicContact CB-CG1 4.42Å; F357-V365 HydrophobicContact CB-CG2 3.95Å; F357-V365 HydrophobicContact CD1-CG1 4.47Å; F357-V365 HydrophobicContact CD1-CG2 3.94Å; F357-V365 HydrophobicContact CD2-CG1 3.93Å; F357-V365 HydrophobicContact CE2-CG1 4.31Å; F357-V365 HydrophobicContact CG-CG1 4.01Å; F357-V365 HydrophobicContact CG-CG2 3.94Å; D361-V365 HydrophobicContact CB-CG2 4.28Å; D361-V365 WeakPolarHBondContact O-CG2 3.49Å; D361-V365 PolarHBondContact O-N 3.3Å; F362-V365 PolarHBondContact O-N 3.27Å; F362-V365 VanDerWaalsContact O-N 3.11Å; V365-S367 VanDerWaalsContact C-N 3.32Å; V365-S367 PolarHBondContact O-N 3.16Å; V365-L368 PolarHBondContact O-N 3.35Å; V365-L369 HydrophobicContact CG1-CD1 3.75Å; V365-L369 HydrophobicContact CG1-CG 4.35Å; V365-L369 WeakPolarHBondContact O-CB 3.44Å; V365-L369 PolarHBondContact O-N 3Å; V365-I371 HydrophobicContact CG1-CD1 4.16Å; V365-I398 HydrophobicContact CG2-CD1 4.23Å; V365-I398 HydrophobicContact CG2-CG2 3.58Å; V365-V418 HydrophobicContact CG1-CB 3.97Å; V365-V418 HydrophobicContact CG1-CG1 3.9Å; V365-V418 HydrophobicContact CG1-CG2 4.03Å
366	V	97.7	Very high	96.4	Very high	20 Å²	20	51.7 Å²	51.7	12%	0.121	27%	0.272	C	S	.	.	H	α-helix	trans	-55.6	-48.7	176	169.1	0	0	0	0	110.8	F362 N370 I371 L373 V418	F362-V366 HydrophobicContact CD1-CG2 4.37Å; F362-V366 HydrophobicContact CD2-CG2 4.48Å; F362-V366 HydrophobicContact CE1-CG2 4.1Å; F362-V366 HydrophobicContact CE2-CG2 4.24Å; F362-V366 HydrophobicContact CZ-CG2 4.03Å; F362-V366 WeakPolarHBondContact O-CG2 3.28Å; F362-V366 PolarHBondContact O-N 3.44Å; V366-N370 WeakPolarHBondContact O-CA 3.37Å; V366-N370 PolarHBondContact O-N 3.39Å; V366-N370 VanDerWaalsContact O-N 3.1Å; V366-I371 HydrophobicContact CB-CB 4.45Å; V366-I371 HydrophobicContact CG1-CB 4.25Å; V366-I371 WeakPolarHBondContact CG1-O 3.4Å; V366-I371 HydrophobicContact CG2-CB 4.4Å; V366-I371 HydrophobicContact CG2-CD1 4.48Å; V366-I371 PolarHBondContact O-N 2.93Å; V366-L373 HydrophobicContact CG1-CD1 4.06Å; V366-L373 HydrophobicContact CG1-CG 4.07Å; V366-L373 HydrophobicContact CG2-CD1 4.09Å; V366-L373 HydrophobicContact CG2-CD2 3.96Å; V366-L373 HydrophobicContact CG2-CG 4.25Å; V366-V418 HydrophobicContact CG2-CG2 4.37Å
367	S	97.8	Very high	95.8	Very high	85 Å²	85	53.9 Å²	53.9	59%	0.594	29%	0.286	S	S	*	.	H	α-helix	trans	-65.1	-49.8	176.7	179.1	0	0	0	0	113	E363 R364 V365 L369 N370	E363-S367 WeakPolarHBondContact O-CB 3.16Å; E363-S367 PolarHBondContact O-N 3.18Å; R364-S367 PolarHBondContact O-N 2.89Å; V365-S367 VanDerWaalsContact C-N 3.32Å; V365-S367 PolarHBondContact O-N 3.16Å; S367-L369 VanDerWaalsContact C-N 3.28Å; S367-L369 PolarHBondContact O-N 2.95Å; S367-N370 PolarHBondContact O-N 3.11Å; S367-N370 PolarHBondContact O-OD1 3.26Å
368	L	98	Very high	95.2	Very high	62 Å²	62	59.7 Å²	59.7	33%	0.325	32%	0.315	S	S	.	.	H	α-helix	trans	-69.3	-22.7	-174.4	-72.7	168.5	0	0	0	114.2	R364 V365 L393 L396 I398	R364-L368 VanDerWaalsContact O-CB 3.24Å; R364-L368 WeakPolarHBondContact O-CB 3.46Å; R364-L368 WeakPolarHBondContact O-CD1 3.24Å; R364-L368 WeakPolarHBondContact O-CG 3.23Å; R364-L368 PolarHBondContact O-N 3.5Å; V365-L368 PolarHBondContact O-N 3.35Å; L368-L393 HydrophobicContact CB-CD2 4Å; L368-L393 HydrophobicContact CD1-CD2 3.87Å; L368-L396 HydrophobicContact CD1-CD1 3.8Å; L368-L396 HydrophobicContact CD2-CD1 3.86Å; L368-I398 HydrophobicContact CD1-CD1 4.06Å; L368-I398 HydrophobicContact CD1-CG1 4.03Å
369	L	97.9	Very high	94.8	Very high	5 Å²	5	62 Å²	62	3%	0.026	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	2.1	177.7	-63	-176.3	0	0	0	113.1	C316 F357 V365 S367 I371 V385 K389 L393	C316-L369 HydrophobicContact CB-CD1 4.1Å; F357-L369 HydrophobicContact CE2-CD1 4.32Å; F357-L369 HydrophobicContact CZ-CD1 4.42Å; V365-L369 HydrophobicContact CG1-CD1 3.75Å; V365-L369 HydrophobicContact CG1-CG 4.35Å; V365-L369 WeakPolarHBondContact O-CB 3.44Å; V365-L369 PolarHBondContact O-N 3Å; S367-L369 VanDerWaalsContact C-N 3.28Å; S367-L369 PolarHBondContact O-N 2.95Å; L369-I371 VanDerWaalsContact C-N 3.27Å; L369-I371 HydrophobicContact CB-CD1 3.95Å; L369-I371 HydrophobicContact CB-CG1 3.83Å; L369-I371 HydrophobicContact CD1-CD1 4.13Å; L369-I371 PolarHBondContact O-N 3.21Å; L369-V385 HydrophobicContact CD1-CG2 3.77Å; L369-V385 HydrophobicContact CD2-CG2 3.81Å; L369-V385 HydrophobicContact CG-CG2 4.48Å; L369-K389 VanDerWaalsContact CD2-CE 3.46Å; L369-K389 HydrophobicContact CD2-CG 4.45Å; L369-L393 HydrophobicContact CD2-CD1 4.27Å
370	N	96.9	Very high	94.6	Very high	142 Å²	142	61.9 Å²	61.9	76%	0.759	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	49.9	-174.3	-61.2	-42.1	0	0	0	111.9	V366 S367 D372	V366-N370 WeakPolarHBondContact O-CA 3.37Å; V366-N370 PolarHBondContact O-N 3.39Å; V366-N370 VanDerWaalsContact O-N 3.1Å; S367-N370 PolarHBondContact O-N 3.11Å; S367-N370 PolarHBondContact O-OD1 3.26Å; N370-D372 PolarHBondContact O-N 2.82Å
371	I	96.9	Very high	94.5	Very high	10 Å²	10	59.6 Å²	59.6	5%	0.051	31%	0.31	C	S	.	.			trans	-76.8	119.4	178.7	-64.6	166	0	0	0	108.1	C316 V365 V366 L369 L373 Q380 C381 V418	C316-I371 HydrophobicContact CB-CD1 4.14Å; V365-I371 HydrophobicContact CG1-CD1 4.16Å; V366-I371 HydrophobicContact CB-CB 4.45Å; V366-I371 HydrophobicContact CG1-CB 4.25Å; V366-I371 WeakPolarHBondContact CG1-O 3.4Å; V366-I371 HydrophobicContact CG2-CB 4.4Å; V366-I371 HydrophobicContact CG2-CD1 4.48Å; V366-I371 PolarHBondContact O-N 2.93Å; L369-I371 VanDerWaalsContact C-N 3.27Å; L369-I371 HydrophobicContact CB-CD1 3.95Å; L369-I371 HydrophobicContact CB-CG1 3.83Å; L369-I371 HydrophobicContact CD1-CD1 4.13Å; L369-I371 PolarHBondContact O-N 3.21Å; I371-L373 HydrophobicContact CG2-CD2 3.72Å; I371-L373 HydrophobicContact CG2-CG 4.42Å; I371-L373 PolarHBondContact O-N 3.42Å; I371-Q380 CarbonylContact C-O 3.54Å; I371-Q380 VanDerWaalsContact CA-O 3.27Å; I371-Q380 WeakPolarHBondContact CA-O 3.22Å; I371-Q380 HydrophobicContact CG2-CB 3.85Å; I371-C381 HydrophobicContact CG1-CB 4.06Å; I371-V418 HydrophobicContact CD1-CG1 3.65Å; I371-V418 HydrophobicContact CD1-CG2 4.25Å
372	D	94.8	Very high	94.2	Very high	73 Å²	73	70.5 Å²	70.5	39%	0.39	35%	0.35	S	S	.	.			trans	-84.1	102.6	170	-169	-19.9	0	0	0	109.2	N370 F374 E375 Q380	N370-D372 PolarHBondContact O-N 2.82Å; D372-F374 PolarHBondContact O-N 3.21Å; D372-F374 WeakPolarHBondContact OD1-CB 3.46Å; D372-F374 PolarHBondContact OD1-N 3.28Å; D372-E375 HydrophobicContact CB-CB 4.3Å; D372-E375 HydrophobicContact CB-CG 3.88Å; D372-E375 PolarHBondContact O-N 3.01Å; D372-Q380 PolarHBondContact N-O 2.89Å; D372-Q380 WeakPolarHBondContact O-CB 3.34Å; D372-Q380 VanDerWaalsContact O-CG 3.3Å; D372-Q380 WeakPolarHBondContact O-CG 3.47Å
373	L	92.1	Very high	94	Very high	35 Å²	35	73.9 Å²	73.9	18%	0.183	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-5.2	179.7	-61.1	177.4	0	0	0	113.2	R327 F362 V366 I371	R327-L373 PolarHBondContact NE-O 3.3Å; R327-L373 PolarHBondContact NH1-O 2.97Å; R327-L373 PolarHBondContact NH2-O 3.34Å; F362-L373 HydrophobicContact CE1-CD1 3.93Å; F362-L373 HydrophobicContact CZ-CD1 3.8Å; F362-L373 HydrophobicContact CZ-CD2 4.04Å; V366-L373 HydrophobicContact CG1-CD1 4.06Å; V366-L373 HydrophobicContact CG1-CG 4.07Å; V366-L373 HydrophobicContact CG2-CD1 4.09Å; V366-L373 HydrophobicContact CG2-CD2 3.96Å; V366-L373 HydrophobicContact CG2-CG 4.25Å; I371-L373 HydrophobicContact CG2-CD2 3.72Å; I371-L373 HydrophobicContact CG2-CG 4.42Å; I371-L373 PolarHBondContact O-N 3.42Å
374	F	90.4	Very high	94	Very high	148 Å²	148	70.3 Å²	70.3	65%	0.649	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-20.9	174.8	-66.7	-79.3	0	0	0	112.9	R327 D372	R327-F374 VanDerWaalsContact NH1-C 3.29Å; R327-F374 VanDerWaalsContact NH1-CA 3.34Å; R327-F374 PolarHBondContact NH1-O 3.3Å; D372-F374 PolarHBondContact O-N 3.21Å; D372-F374 WeakPolarHBondContact OD1-CB 3.46Å; D372-F374 PolarHBondContact OD1-N 3.28Å
375	E	90.6	Very high	94	Very high	79 Å²	79	65.2 Å²	65.2	37%	0.369	33%	0.328	S	S	.	.	S	Bend	trans	-71.3	155.2	174.7	-73.9	-69.7	137.9	0	0	112.1	R327 D372 T379 Q380	R327-E375 PolarHBondContact NH2-O 3.23Å; D372-E375 HydrophobicContact CB-CB 4.3Å; D372-E375 HydrophobicContact CB-CG 3.88Å; D372-E375 PolarHBondContact O-N 3.01Å; E375-T379 WeakPolarHBondContact CB-OG1 3.16Å; E375-T379 WeakPolarHBondContact OE2-CB 3.13Å; E375-T379 PolarHBondContact OE2-OG1 3.37Å; E375-Q380 HydrophobicContact CB-CG 4.22Å; E375-Q380 WeakPolarHBondContact O-CG 3.48Å; E375-Q380 PolarHBondContact O-NE2 3.46Å
376	P	86.4	Confident	94	Very high	77 Å²	77	69 Å²	69	50%	0.5	35%	0.348	S	S	.	.			trans	-64	155.5	168.1	27.1	-33.6	0	0	0	111	M378 T379 Q380	P376-M378 PolarHBondContact O-N 3.02Å; P376-T379 VanDerWaalsContact CD-OG1 3.29Å; P376-T379 WeakPolarHBondContact CD-OG1 3.43Å; P376-T379 WeakPolarHBondContact CG-OG1 3.36Å; P376-T379 PolarHBondContact O-N 3.41Å; P376-T379 PolarHBondContact O-OG1 2.92Å; P376-Q380 WeakPolarHBondContact O-CG 3.44Å; P376-Q380 PolarHBondContact O-N 3.1Å
377	P	86.2	Confident	94	Very high	45 Å²	45	73 Å²	73	29%	0.292	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.8	-39.8	-175.2	-35.7	38.9	0	0	0	116.1	H317 T379	H317-P377 HydrophobicContact CB-CB 4.26Å; H317-P377 WeakPolarHBondContact CB-O 3.49Å; P377-T379 PolarHBondContact O-N 3.42Å
378	M	86.9	Confident	94	Very high	125 Å²	125	72.1 Å²	72.1	62%	0.616	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.4	-177.7	-68.4	-59.5	-57.4	0	0	114.3	T314 P376	T314-M378 HydrophobicContact CG2-SD 3.86Å; P376-M378 PolarHBondContact O-N 3.02Å
379	T	91.1	Very high	94	Very high	68 Å²	68	70.6 Å²	70.6	42%	0.417	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-1.5	-176.1	53.2	0	0	0	0	113.9	E375 P376 P377 C381	E375-T379 WeakPolarHBondContact CB-OG1 3.16Å; E375-T379 WeakPolarHBondContact OE2-CB 3.13Å; E375-T379 PolarHBondContact OE2-OG1 3.37Å; P376-T379 VanDerWaalsContact CD-OG1 3.29Å; P376-T379 WeakPolarHBondContact CD-OG1 3.43Å; P376-T379 WeakPolarHBondContact CG-OG1 3.36Å; P376-T379 PolarHBondContact O-N 3.41Å; P376-T379 PolarHBondContact O-OG1 2.92Å; P377-T379 PolarHBondContact O-N 3.42Å; T379-C381 VanDerWaalsContact C-N 3.26Å; T379-C381 PolarHBondContact O-N 3.49Å
380	Q	94.4	Very high	94	Very high	3 Å²	3	70.7 Å²	70.7	1%	0.014	36%	0.362	C	S	.	.	S	Bend	trans	-58.7	-34.5	179.6	-63.7	-170.6	-2.8	0	0	113.3	H317 A318 I371 D372 E375 P376	H317-Q380 HydrophobicContact CB-CB 4.21Å; H317-Q380 HydrophobicContact CB-CG 4.27Å; H317-Q380 VanDerWaalsContact CB-OE1 3.26Å; A318-Q380 PolarHBondContact O-NE2 2.74Å; A318-Q380 PolarHBondContact O-OE1 2.98Å; I371-Q380 CarbonylContact C-O 3.54Å; I371-Q380 VanDerWaalsContact CA-O 3.27Å; I371-Q380 WeakPolarHBondContact CA-O 3.22Å; I371-Q380 HydrophobicContact CG2-CB 3.85Å; D372-Q380 PolarHBondContact N-O 2.89Å; D372-Q380 WeakPolarHBondContact O-CB 3.34Å; D372-Q380 VanDerWaalsContact O-CG 3.3Å; D372-Q380 WeakPolarHBondContact O-CG 3.47Å; E375-Q380 HydrophobicContact CB-CG 4.22Å; E375-Q380 WeakPolarHBondContact O-CG 3.48Å; E375-Q380 PolarHBondContact O-NE2 3.46Å; P376-Q380 WeakPolarHBondContact O-CG 3.44Å; P376-Q380 PolarHBondContact O-N 3.1Å
381	C	95.9	Very high	94.1	Very high	5 Å²	5	67.7 Å²	67.7	3%	0.034	35%	0.345	C	S	.	.			trans	-132	131.5	-179.4	-170.1	0	0	0	0	111.9	H315 C316 I371 T379 Q383	H315-C381 HydrophobicContact CB-CB 4.23Å; H315-C381 VanDerWaalsContact CB-O 3.29Å; H315-C381 WeakPolarHBondContact CB-O 3.44Å; C316-C381 HydrophobicContact CB-CB 4.04Å; C316-C381 WeakPolarHBondContact O-CB 3.3Å; I371-C381 HydrophobicContact CG1-CB 4.06Å; T379-C381 VanDerWaalsContact C-N 3.26Å; T379-C381 PolarHBondContact O-N 3.49Å; C381-Q383 PolarHBondContact SG-O 3.41Å; C381-Q383 VanDerWaalsContact SG-O 3.41Å
382	R	92.5	Very high	94.2	Very high	240 Å²	240	71.8 Å²	71.8	91%	0.906	36%	0.364	S	S	*	.			trans	-86.7	-24.6	177.5	-62.7	-172.9	173.3	110	2	113.4	H315	H315-R382 PolarHBondContact CE1-O 3.42Å
383	Q	94.1	Very high	94.3	Very high	84 Å²	84	68.3 Å²	68.3	39%	0.393	35%	0.346	S	S	.	.	S	Bend	trans	-91.9	137.2	-174.9	-175.1	179.7	-25.8	0	0	110.7	H315 C381	H315-Q383 PolarHBondContact ND1-O 3.24Å; C381-Q383 PolarHBondContact SG-O 3.41Å; C381-Q383 VanDerWaalsContact SG-O 3.41Å
384	W	97.1	Very high	94.6	Very high	61 Å²	61	71 Å²	71	23%	0.231	35%	0.353	C	S	.	.			trans	-83.8	132.4	165.3	179.7	-105.8	0	0	0	109.9	R313 H315 D386 Q420 R422	R313-W384 HydrophobicContact CB-CE3 4.07Å; R313-W384 HydrophobicContact CB-CH2 4.15Å; R313-W384 HydrophobicContact CB-CZ3 3.67Å; R313-W384 HydrophobicContact CG-CE3 4.33Å; R313-W384 HydrophobicContact CG-CH2 3.97Å; R313-W384 HydrophobicContact CG-CZ2 4.35Å; R313-W384 HydrophobicContact CG-CZ3 3.96Å; H315-W384 PolarHBondContact ND1-N 2.98Å; W384-D386 PolarHBondContact O-N 3.07Å; W384-Q420 HydrophobicContact CH2-CG 3.83Å; W384-Q420 HydrophobicContact CZ3-CB 4.27Å; W384-Q420 HydrophobicContact CZ3-CG 3.91Å; W384-R422 HydrophobicContact CH2-CB 3.9Å; W384-R422 HydrophobicContact CZ2-CB 4.18Å
385	V	98.2	Very high	95	Very high	2 Å²	2	72 Å²	72	1%	0.012	36%	0.36	C	S	.	.			trans	-91.3	102.5	177.8	177.4	0	0	0	0	109.5	C316 F357 L369 K389 L390 L393 Q420	C316-V385 VanDerWaalsContact SG-CG2 3.53Å; F357-V385 HydrophobicContact CZ-CG1 4.23Å; L369-V385 HydrophobicContact CD1-CG2 3.77Å; L369-V385 HydrophobicContact CD2-CG2 3.81Å; L369-V385 HydrophobicContact CG-CG2 4.48Å; V385-K389 HydrophobicContact CB-CG 4.42Å; V385-K389 HydrophobicContact CG1-CB 4.03Å; V385-K389 HydrophobicContact CG1-CG 3.91Å; V385-K389 HydrophobicContact CG2-CG 4.21Å; V385-L390 HydrophobicContact CG1-CD2 3.51Å; V385-L390 HydrophobicContact CG1-CG 3.67Å; V385-L393 HydrophobicContact CG1-CD1 4.4Å; V385-Q420 VanDerWaalsContact CB-OE1 3.3Å; V385-Q420 PolarHBondContact O-NE2 3.28Å
386	D	97.4	Very high	95.4	Very high	81 Å²	81	72.1 Å²	72.1	43%	0.433	36%	0.363	S	S	.	.			trans	-88.2	-179.2	172.7	68.6	10.7	0	0	0	112.3	W384 A388 K389 L390	W384-D386 PolarHBondContact O-N 3.07Å; D386-A388 VanDerWaalsContact C-N 3.27Å; D386-A388 PolarHBondContact O-N 2.8Å; D386-A388 PolarHBondContact OD1-N 3.09Å; D386-A388 VanDerWaalsContact OD1-N 3.11Å; D386-K389 PolarHBondContact O-N 3.19Å; D386-K389 WeakPolarHBondContact OD1-CB 3.45Å; D386-K389 PolarHBondContact OD1-N 3.27Å; D386-L390 WeakPolarHBondContact O-CG 3.44Å; D386-L390 PolarHBondContact O-N 3.15Å
387	V	97.8	Very high	95.9	Very high	103 Å²	103	70 Å²	70	62%	0.624	36%	0.355	S	S	*	.	H	α-helix	trans	-60.4	-36.6	179.7	178.6	0	0	0	0	112	L390 N391	V387-L390 PolarHBondContact O-N 3.28Å; V387-N391 VanDerWaalsContact O-CG 3.27Å; V387-N391 PolarHBondContact O-N 3.13Å; V387-N391 PolarHBondContact O-ND2 3.48Å
388	A	98.2	Very high	96.5	Very high	67 Å²	67	67.8 Å²	67.8	55%	0.554	34%	0.341	S	S	*	.	H	α-helix	trans	-66.3	-43.8	178.9	0	0	0	0	0	111	D386 N391 Q392	D386-A388 VanDerWaalsContact C-N 3.27Å; D386-A388 PolarHBondContact O-N 2.8Å; D386-A388 PolarHBondContact OD1-N 3.09Å; D386-A388 VanDerWaalsContact OD1-N 3.11Å; A388-N391 PolarHBondContact O-N 2.8Å; A388-Q392 PolarHBondContact O-N 3Å
389	K	98.3	Very high	97.1	Very high	29 Å²	29	65.3 Å²	65.3	13%	0.126	33%	0.325	C	S	.	.	H	α-helix	trans	-65.3	-39.8	174.7	-175.2	61.9	173.8	-176	0	111.7	L369 V385 D386 N391 Q392 L393	L369-K389 VanDerWaalsContact CD2-CE 3.46Å; L369-K389 HydrophobicContact CD2-CG 4.45Å; V385-K389 HydrophobicContact CB-CG 4.42Å; V385-K389 HydrophobicContact CG1-CB 4.03Å; V385-K389 HydrophobicContact CG1-CG 3.91Å; V385-K389 HydrophobicContact CG2-CG 4.21Å; D386-K389 PolarHBondContact O-N 3.19Å; D386-K389 WeakPolarHBondContact OD1-CB 3.45Å; D386-K389 PolarHBondContact OD1-N 3.27Å; K389-N391 VanDerWaalsContact C-N 3.33Å; K389-N391 PolarHBondContact O-N 2.87Å; K389-Q392 VanDerWaalsContact CD-OE1 3.28Å; K389-Q392 WeakPolarHBondContact O-CB 3.47Å; K389-Q392 PolarHBondContact O-N 2.88Å; K389-L393 HydrophobicContact CG-CD1 4.35Å; K389-L393 WeakPolarHBondContact O-CG 3.37Å; K389-L393 PolarHBondContact O-N 3.21Å
390	L	98.6	Very high	97.5	Very high	8 Å²	8	62.4 Å²	62.4	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-43.2	173.2	-72.2	175.6	0	0	0	112.3	V355 F357 V385 D386 V387 Q392 L393 R394 Y400 V402	V355-L390 HydrophobicContact CG1-CD2 3.78Å; V355-L390 HydrophobicContact CG2-CD1 4.3Å; F357-L390 HydrophobicContact CE1-CD2 3.99Å; F357-L390 HydrophobicContact CZ-CD2 3.95Å; V385-L390 HydrophobicContact CG1-CD2 3.51Å; V385-L390 HydrophobicContact CG1-CG 3.67Å; D386-L390 WeakPolarHBondContact O-CG 3.44Å; D386-L390 PolarHBondContact O-N 3.15Å; V387-L390 PolarHBondContact O-N 3.28Å; L390-Q392 PolarHBondContact O-N 3.36Å; L390-L393 PolarHBondContact O-N 2.82Å; L390-R394 WeakPolarHBondContact O-CB 3.32Å; L390-R394 PolarHBondContact O-N 3.16Å; L390-Y400 HydrophobicContact CB-CE1 4.02Å; L390-Y400 HydrophobicContact CB-CE2 4.16Å; L390-Y400 HydrophobicContact CD1-CD2 4.25Å; L390-Y400 HydrophobicContact CD1-CE2 3.83Å; L390-Y400 HydrophobicContact CD2-CD1 4.05Å; L390-Y400 HydrophobicContact CD2-CD2 3.9Å; L390-Y400 HydrophobicContact CD2-CE1 4.18Å; L390-Y400 HydrophobicContact CD2-CE2 4.05Å; L390-Y400 HydrophobicContact CD2-CG 3.91Å; L390-Y400 HydrophobicContact CG-CE2 4.23Å; L390-V402 HydrophobicContact CD1-CG2 3.7Å
391	N	98.3	Very high	97.7	Very high	78 Å²	78	62.2 Å²	62.2	42%	0.417	31%	0.305	S	S	.	.	H	α-helix	trans	-63	-41.9	175.9	-71.6	-25	0	0	0	111.7	V387 A388 K389 R394 Q395	V387-N391 VanDerWaalsContact O-CG 3.27Å; V387-N391 PolarHBondContact O-N 3.13Å; V387-N391 PolarHBondContact O-ND2 3.48Å; A388-N391 PolarHBondContact O-N 2.8Å; K389-N391 VanDerWaalsContact C-N 3.33Å; K389-N391 PolarHBondContact O-N 2.87Å; N391-R394 PolarHBondContact O-N 3.39Å; N391-Q395 WeakPolarHBondContact O-CG 3.37Å; N391-Q395 PolarHBondContact O-N 2.84Å
392	Q	98.2	Very high	97.8	Very high	96 Å²	96	64.7 Å²	64.7	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-60.1	-48.1	173.8	-177.7	-174.8	57.4	0	0	111.5	A388 K389 L390 R394 Q395 L396	A388-Q392 PolarHBondContact O-N 3Å; K389-Q392 VanDerWaalsContact CD-OE1 3.28Å; K389-Q392 WeakPolarHBondContact O-CB 3.47Å; K389-Q392 PolarHBondContact O-N 2.88Å; L390-Q392 PolarHBondContact O-N 3.36Å; Q392-R394 VanDerWaalsContact C-N 3.28Å; Q392-R394 PolarHBondContact O-N 2.86Å; Q392-Q395 WeakPolarHBondContact O-CB 3.36Å; Q392-Q395 PolarHBondContact O-N 2.68Å; Q392-L396 PolarHBondContact O-N 2.69Å
393	L	98.5	Very high	98.1	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-62	-38	177.6	-68.2	174.1	0	0	0	111.3	F357 L368 L369 V385 K389 L390 Q395 L396 G397 I398	F357-L393 HydrophobicContact CE1-CD1 3.68Å; F357-L393 HydrophobicContact CZ-CD1 3.87Å; L368-L393 HydrophobicContact CB-CD2 4Å; L368-L393 HydrophobicContact CD1-CD2 3.87Å; L369-L393 HydrophobicContact CD2-CD1 4.27Å; V385-L393 HydrophobicContact CG1-CD1 4.4Å; K389-L393 HydrophobicContact CG-CD1 4.35Å; K389-L393 WeakPolarHBondContact O-CG 3.37Å; K389-L393 PolarHBondContact O-N 3.21Å; L390-L393 PolarHBondContact O-N 2.82Å; L393-Q395 PolarHBondContact O-N 2.85Å; L393-L396 CarbonylContact O-C 3.56Å; L393-L396 WeakPolarHBondContact O-CA 3.32Å; L393-L396 WeakPolarHBondContact O-CB 3.25Å; L393-L396 PolarHBondContact O-N 3.2Å; L393-L396 VanDerWaalsContact O-N 3.09Å; L393-G397 PolarHBondContact O-N 2.76Å; L393-I398 HydrophobicContact CB-CB 4.01Å; L393-I398 HydrophobicContact CB-CG1 4.22Å; L393-I398 HydrophobicContact CB-CG2 4.36Å; L393-I398 HydrophobicContact CD2-CG1 4.38Å; L393-I398 VanDerWaalsContact O-CB 3.31Å; L393-I398 WeakPolarHBondContact O-CB 3.29Å; L393-I398 WeakPolarHBondContact O-CG1 3.34Å; L393-I398 PolarHBondContact O-N 2.85Å
394	R	98.4	Very high	98.3	Very high	90 Å²	90	54.2 Å²	54.2	34%	0.34	28%	0.282	S	S	.	.	H	α-helix	trans	-64.3	-38.4	177	-172.4	57.5	-170.5	92.3	-1.3	113.1	N106 L390 N391 Q392 L396 G397 Y400	N106-R394 WeakPolarHBondContact O-CD 3.21Å; N106-R394 PolarHBondContact O-NE 3.01Å; L390-R394 WeakPolarHBondContact O-CB 3.32Å; L390-R394 PolarHBondContact O-N 3.16Å; N391-R394 PolarHBondContact O-N 3.39Å; Q392-R394 VanDerWaalsContact C-N 3.28Å; Q392-R394 PolarHBondContact O-N 2.86Å; R394-L396 PolarHBondContact O-N 3.42Å; R394-G397 WeakPolarHBondContact O-CA 3.32Å; R394-G397 PolarHBondContact O-N 2.88Å; R394-Y400 HydrophobicContact CB-CE1 4.1Å
395	Q	98	Very high	98.3	Very high	169 Å²	169	51.3 Å²	51.3	79%	0.79	27%	0.271	S	S	*	.	H	α-helix	trans	-60.6	-30.3	174	-73.4	174.6	-11.2	0	0	111.6	N391 Q392 L393 G397	N391-Q395 WeakPolarHBondContact O-CG 3.37Å; N391-Q395 PolarHBondContact O-N 2.84Å; Q392-Q395 WeakPolarHBondContact O-CB 3.36Å; Q392-Q395 PolarHBondContact O-N 2.68Å; L393-Q395 PolarHBondContact O-N 2.85Å; Q395-G397 PolarHBondContact O-N 3.47Å
396	L	98.1	Very high	98.3	Very high	82 Å²	82	54.5 Å²	54.5	43%	0.429	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	2.6	172.1	-57.6	174.8	0	0	0	113	R364 L368 Q392 L393 R394 I398	R364-L396 PolarHBondContact NH1-O 3.13Å; R364-L396 PolarHBondContact NH2-O 3.09Å; L368-L396 HydrophobicContact CD1-CD1 3.8Å; L368-L396 HydrophobicContact CD2-CD1 3.86Å; Q392-L396 PolarHBondContact O-N 2.69Å; L393-L396 CarbonylContact O-C 3.56Å; L393-L396 WeakPolarHBondContact O-CA 3.32Å; L393-L396 WeakPolarHBondContact O-CB 3.25Å; L393-L396 PolarHBondContact O-N 3.2Å; L393-L396 VanDerWaalsContact O-N 3.09Å; R394-L396 PolarHBondContact O-N 3.42Å; L396-I398 HydrophobicContact CB-CG1 4.5Å
397	G	98.2	Very high	98.3	Very high	32 Å²	32	51.2 Å²	51.2	33%	0.33	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	11.1	-179.9	0	0	0	0	0	114.9	L393 R394 Q395	L393-G397 PolarHBondContact O-N 2.76Å; R394-G397 WeakPolarHBondContact O-CA 3.32Å; R394-G397 PolarHBondContact O-N 2.88Å; Q395-G397 PolarHBondContact O-N 3.47Å
398	I	98.8	Very high	98.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.			trans	-70.5	130.3	173.8	-57	-62.9	0	0	0	109.3	F357 D361 R364 V365 L368 L393 L396	F357-I398 HydrophobicContact CD1-CG2 3.65Å; F357-I398 HydrophobicContact CE1-CG2 4.13Å; D361-I398 HydrophobicContact CB-CD1 4Å; D361-I398 HydrophobicContact CB-CG2 4.29Å; R364-I398 HydrophobicContact CB-CD1 3.72Å; V365-I398 HydrophobicContact CG2-CD1 4.23Å; V365-I398 HydrophobicContact CG2-CG2 3.58Å; L368-I398 HydrophobicContact CD1-CD1 4.06Å; L368-I398 HydrophobicContact CD1-CG1 4.03Å; L393-I398 HydrophobicContact CB-CB 4.01Å; L393-I398 HydrophobicContact CB-CG1 4.22Å; L393-I398 HydrophobicContact CB-CG2 4.36Å; L393-I398 HydrophobicContact CD2-CG1 4.38Å; L393-I398 VanDerWaalsContact O-CB 3.31Å; L393-I398 WeakPolarHBondContact O-CB 3.29Å; L393-I398 WeakPolarHBondContact O-CG1 3.34Å; L393-I398 PolarHBondContact O-N 2.85Å; L396-I398 HydrophobicContact CB-CG1 4.5Å
399	R	98.8	Very high	98.4	Very high	73 Å²	73	43.8 Å²	43.8	28%	0.275	21%	0.213	S	C	.	.			trans	-94.3	140.4	176.9	-63.3	161.3	-70.9	-175.9	-11.1	111.2	G107 Q108 A109 F357 H358 D361	G107-R399 CarbonylContact O-C 3.38Å; G107-R399 WeakPolarHBondContact O-CA 3.44Å; G107-R399 WeakPolarHBondContact O-CB 3.3Å; Q108-R399 HydrophobicContact CB-CG 4.27Å; A109-R399 HydrophobicContact CB-CB 4.29Å; F357-R399 WeakPolarHBondContact CA-O 3.32Å; H358-R399 HydrophobicContact CB-CB 3.68Å; H358-R399 PolarHBondContact N-O 3.14Å; D361-R399 IonicContact OD1-CZ 3.64Å; D361-R399 IonicContact OD1-NE 3.77Å; D361-R399 IonicContact OD1-NH2 3.67Å; D361-R399 PolarHBondContact OD1-NH2 3.45Å; D361-R399 WeakPolarHBondContact OD2-CB 3.37Å; D361-R399 IonicContact OD2-CZ 2.77Å; D361-R399 PolarHBondContact OD2-N 3.45Å; D361-R399 IonicContact OD2-NE 3.85Å; D361-R399 PolarHBondContact OD2-NE 2.83Å; D361-R399 IonicContact OD2-NH2 3.15Å; D361-R399 PolarHBondContact OD2-NH2 3.49Å
400	Y	98.8	Very high	98.4	Very high	6 Å²	6	42.4 Å²	42.4	2%	0.024	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	166.4	176.8	66.9	-91	0	0	0	112.4	H104 G107 A109 C356 L390 R394 V402	H104-Y400 AromaticContact CE1-CE2 3.58Å; H104-Y400 AromaticContact ND1-CE2 3.88Å; H104-Y400 PolarHBondContact ND1-O 3Å; G107-Y400 CarbonylContact C-O 3.59Å; G107-Y400 WeakPolarHBondContact CA-O 3.49Å; G107-Y400 PolarHBondContact O-N 3.41Å; A109-Y400 WeakPolarHBondContact CB-O 3.48Å; A109-Y400 PolarHBondContact N-O 3.38Å; C356-Y400 CarbonylContact O-C 3.51Å; C356-Y400 WeakPolarHBondContact O-CA 3.37Å; C356-Y400 WeakPolarHBondContact O-CB 3.21Å; L390-Y400 HydrophobicContact CB-CE1 4.02Å; L390-Y400 HydrophobicContact CB-CE2 4.16Å; L390-Y400 HydrophobicContact CD1-CD2 4.25Å; L390-Y400 HydrophobicContact CD1-CE2 3.83Å; L390-Y400 HydrophobicContact CD2-CD1 4.05Å; L390-Y400 HydrophobicContact CD2-CD2 3.9Å; L390-Y400 HydrophobicContact CD2-CE1 4.18Å; L390-Y400 HydrophobicContact CD2-CE2 4.05Å; L390-Y400 HydrophobicContact CD2-CG 3.91Å; L390-Y400 HydrophobicContact CG-CE2 4.23Å; R394-Y400 HydrophobicContact CB-CE1 4.1Å; Y400-V402 HydrophobicContact CD2-CG2 3.84Å; Y400-V402 HydrophobicContact CE2-CG2 3.72Å
401	A	98.8	Very high	98.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.1	164.3	0	0	0	0	0	109.8	H104 A109 V111 V149 V355 C356 L403	H104-A401 HydrophobicContact CB-CB 3.82Å; A109-A401 HydrophobicContact CB-CB 4.32Å; V111-A401 HydrophobicContact CG2-CB 3.59Å; V149-A401 HydrophobicContact CG2-CB 3.79Å; V355-A401 WeakPolarHBondContact CA-O 3.14Å; C356-A401 PolarHBondContact N-O 3.39Å; C356-A401 PolarHBondContact O-N 3.27Å; A401-L403 HydrophobicContact CB-CD1 4.41Å; A401-L403 HydrophobicContact CB-CD2 4.4Å; A401-L403 HydrophobicContact CB-CG 4.23Å
402	V	98.6	Very high	98.4	Very high	57 Å²	57	38.8 Å²	38.8	35%	0.345	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.1	167.9	-172.5	0	0	0	0	107.4	H104 V354 V355 L390 Y400	H104-V402 PolarHBondContact CD2-N 3.44Å; H104-V402 PolarHBondContact NE2-N 2.77Å; V354-V402 CarbonylContact O-C 3.58Å; V354-V402 VanDerWaalsContact O-CA 3.32Å; V354-V402 WeakPolarHBondContact O-CA 3.36Å; V355-V402 HydrophobicContact CG2-CG1 4.49Å; V355-V402 HydrophobicContact CG2-CG2 4.18Å; L390-V402 HydrophobicContact CD1-CG2 3.7Å; Y400-V402 HydrophobicContact CD2-CG2 3.84Å; Y400-V402 HydrophobicContact CE2-CG2 3.72Å
403	L	98.1	Very high	98.4	Very high	21 Å²	21	34.4 Å²	34.4	11%	0.11	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	151.7	-171.6	-52	164.1	0	0	0	111.1	V111 M150 I152 E353 V354 A401	V111-L403 HydrophobicContact CB-CD1 4.36Å; V111-L403 HydrophobicContact CB-CD2 4.45Å; V111-L403 HydrophobicContact CG1-CD1 3.75Å; V111-L403 HydrophobicContact CG1-CD2 4.22Å; V111-L403 HydrophobicContact CG2-CD1 3.67Å; V111-L403 HydrophobicContact CG2-CD2 3.93Å; V111-L403 HydrophobicContact CG2-CG 4.27Å; M150-L403 HydrophobicContact CB-CD1 4.28Å; M150-L403 HydrophobicContact SD-CD1 4.01Å; I152-L403 HydrophobicContact CD1-CD1 4.19Å; E353-L403 CarbonylContact C-O 3.6Å; E353-L403 WeakPolarHBondContact CA-O 2.96Å; V354-L403 HydrophobicContact CG1-CB 3.7Å; V354-L403 HydrophobicContact CG1-CD1 4.27Å; V354-L403 HydrophobicContact CG1-CG 4.42Å; V354-L403 PolarHBondContact N-O 2.8Å; V354-L403 PolarHBondContact O-N 2.87Å; A401-L403 HydrophobicContact CB-CD1 4.41Å; A401-L403 HydrophobicContact CB-CD2 4.4Å; A401-L403 HydrophobicContact CB-CG 4.23Å
404	Q	98.4	Very high	98.4	Very high	83 Å²	83	34.5 Å²	34.5	39%	0.388	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.5	166.1	-71.4	177.8	-29.2	0	0	109.6	R154 V350 K352 E353 Y406	R154-Q404 PolarHBondContact NH1-O 3.19Å; V350-Q404 HydrophobicContact CG1-CB 3.95Å; V350-Q404 HydrophobicContact CG1-CG 3.99Å; V350-Q404 HydrophobicContact CG2-CB 4.35Å; K352-Q404 WeakPolarHBondContact O-CA 3.45Å; E353-Q404 HydrophobicContact CG-CG 4.1Å; Q404-Y406 HydrophobicContact CB-CE2 3.88Å; Q404-Y406 PolarHBondContact OE1-OH 3.29Å
405	L	98.7	Very high	98.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.2	173.8	-55.8	175.2	0	0	0	108.8	M150 I152 L336 V351 K352 V354 D409 Y411 F421	M150-L405 HydrophobicContact SD-CD2 4.01Å; I152-L405 HydrophobicContact CD1-CD2 3.69Å; I152-L405 HydrophobicContact CG1-CD2 4.2Å; I152-L405 HydrophobicContact CG2-CD2 4.42Å; L336-L405 HydrophobicContact CD1-CB 3.65Å; L336-L405 HydrophobicContact CD1-CD1 3.97Å; L336-L405 HydrophobicContact CD1-CG 4.43Å; V351-L405 WeakPolarHBondContact CG2-O 3.34Å; V351-L405 PolarHBondContact N-O 2.99Å; K352-L405 HydrophobicContact CB-CB 4.19Å; K352-L405 HydrophobicContact CB-CD1 4.29Å; K352-L405 PolarHBondContact N-O 2.71Å; K352-L405 PolarHBondContact O-N 3.24Å; V354-L405 HydrophobicContact CG1-CD1 4.19Å; V354-L405 HydrophobicContact CG1-CG 4.22Å; L405-D409 WeakPolarHBondContact CA-OD2 3.47Å; L405-Y411 HydrophobicContact CD1-CD1 3.69Å; L405-Y411 HydrophobicContact CD1-CE1 3.74Å; L405-Y411 HydrophobicContact CD1-CG 4.34Å; L405-F421 HydrophobicContact CD1-CE1 4.05Å
406	Y	98.1	Very high	98.1	Very high	69 Å²	69	29.2 Å²	29.2	27%	0.271	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	169.3	-169.3	-63.6	-102.3	0	0	0	111.3	R349 V350 Q404 D409	R349-Y406 CarbonylContact O-C 3.47Å; R349-Y406 VanDerWaalsContact O-CA 3.22Å; R349-Y406 WeakPolarHBondContact O-CA 3.42Å; V350-Y406 HydrophobicContact CB-CE1 4.44Å; V350-Y406 HydrophobicContact CG2-CD1 3.77Å; V350-Y406 HydrophobicContact CG2-CE1 3.28Å; V350-Y406 HydrophobicContact CG2-CE2 4.49Å; Q404-Y406 HydrophobicContact CB-CE2 3.88Å; Q404-Y406 PolarHBondContact OE1-OH 3.29Å; Y406-D409 PolarHBondContact N-OD2 3.38Å; Y406-D409 WeakPolarHBondContact O-CB 3.5Å; Y406-D409 PolarHBondContact O-N 3.34Å
407	D	97.4	Very high	98.1	Very high	11 Å²	11	25.4 Å²	25.4	6%	0.059	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	141.6	166.2	-179.8	38.9	0	0	0	109.9	K337 A338 H340 N348 R349 D409	K337-D407 VanDerWaalsContact CA-OD1 3.28Å; K337-D407 WeakPolarHBondContact CA-OD1 3.27Å; K337-D407 IonicContact NZ-OD1 3.72Å; K337-D407 PolarHBondContact NZ-OD1 3.14Å; K337-D407 VanDerWaalsContact NZ-OD1 3.14Å; K337-D407 IonicContact NZ-OD2 3.56Å; A338-D407 HydrophobicContact CB-CB 3.64Å; A338-D407 PolarHBondContact N-OD1 3.25Å; H340-D407 IonicContact CE1-OD2 3.68Å; H340-D407 IonicContact NE2-OD2 3.26Å; H340-D407 PolarHBondContact NE2-OD2 3.43Å; N348-D407 PolarHBondContact ND2-O 3.27Å; N348-D407 VanDerWaalsContact OD1-CB 3.26Å; N348-D407 WeakPolarHBondContact OD1-CB 3.34Å; N348-D407 PolarHBondContact OD1-N 3.31Å; N348-D407 PolarHBondContact OD1-O 3.05Å; R349-D407 PolarHBondContact O-N 3.21Å; D407-D409 PolarHBondContact O-N 3.13Å
408	N	97.6	Very high	98.1	Very high	13 Å²	13	24 Å²	24	7%	0.07	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	7.1	-177.4	-49.2	-68.3	0	0	0	115.9	N155 G156 A157 R158 L336 K337	N155-N408 CarbonylContact C-O 3.53Å; N155-N408 VanDerWaalsContact C-O 3.22Å; N155-N408 WeakPolarHBondContact CA-O 3.42Å; G156-N408 PolarHBondContact N-O 3.36Å; A157-N408 PolarHBondContact N-O 3.23Å; R158-N408 HydrophobicContact CB-CB 4.41Å; L336-N408 WeakPolarHBondContact O-CA 3.37Å; L336-N408 PolarHBondContact O-N 2.85Å; K337-N408 WeakPolarHBondContact CE-OD1 3.19Å; K337-N408 PolarHBondContact NZ-OD1 2.86Å
409	D	98.8	Very high	98.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	11%	0.107	C	C	.	.			trans	-72.7	134.5	172.1	-75.4	-4.9	0	0	0	111	I152 R154 L336 L405 Y406 D407	I152-D409 HydrophobicContact CG2-CB 4.29Å; R154-D409 WeakPolarHBondContact CA-OD1 3.47Å; R154-D409 WeakPolarHBondContact CD-OD1 3.23Å; R154-D409 IonicContact CZ-OD2 3.7Å; R154-D409 IonicContact NH1-OD2 3.64Å; R154-D409 PolarHBondContact NH1-OD2 2.74Å; L336-D409 PolarHBondContact N-O 3.23Å; L405-D409 WeakPolarHBondContact CA-OD2 3.47Å; Y406-D409 PolarHBondContact N-OD2 3.38Å; Y406-D409 WeakPolarHBondContact O-CB 3.5Å; Y406-D409 PolarHBondContact O-N 3.34Å; D407-D409 PolarHBondContact O-N 3.13Å
410	I	98.8	Very high	98.1	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.6	158.5	-59.2	166.8	0	0	0	106.1	I153 G156 A157 F242 L243 A334 V335	I153-I410 HydrophobicContact CB-CB 4.23Å; I153-I410 HydrophobicContact CD1-CB 4.06Å; I153-I410 HydrophobicContact CD1-CG2 3.92Å; I153-I410 PolarHBondContact N-O 3.38Å; I153-I410 PolarHBondContact O-N 2.9Å; I153-I410 VanDerWaalsContact O-N 3.17Å; G156-I410 VanDerWaalsContact C-CD1 3.46Å; G156-I410 WeakPolarHBondContact O-CD1 3.32Å; A157-I410 HydrophobicContact CB-CD1 4.31Å; A157-I410 HydrophobicContact CB-CG1 3.98Å; F242-I410 HydrophobicContact CB-CD1 4.15Å; L243-I410 HydrophobicContact CD1-CD1 4.31Å; L243-I410 HydrophobicContact CD2-CB 4.43Å; L243-I410 HydrophobicContact CD2-CD1 3.74Å; L243-I410 HydrophobicContact CD2-CG1 4.07Å; L243-I410 HydrophobicContact CD2-CG2 3.5Å; L243-I410 HydrophobicContact CG-CD1 3.9Å; A334-I410 WeakPolarHBondContact O-CA 3.1Å; V335-I410 HydrophobicContact CG1-CG1 4.11Å; V335-I410 HydrophobicContact CG2-CG1 4.24Å
411	Y	98.8	Very high	98.1	Very high	10 Å²	10	21.1 Å²	21.1	4%	0.039	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	154.3	173.2	68.5	-97.5	0	0	0	112.1	M150 G151 V333 A334 L336 L405 L413 F421	M150-Y411 HydrophobicContact CE-CD2 3.69Å; M150-Y411 HydrophobicContact CE-CE2 4.14Å; M150-Y411 HydrophobicContact CE-CG 4.12Å; M150-Y411 HydrophobicContact SD-CD2 4.46Å; M150-Y411 HydrophobicContact SD-CG 4.39Å; G151-Y411 CarbonylContact O-C 3.22Å; G151-Y411 VanDerWaalsContact O-CA 3.23Å; G151-Y411 WeakPolarHBondContact O-CA 3.42Å; V333-Y411 WeakPolarHBondContact CA-O 3.47Å; A334-Y411 HydrophobicContact CB-CD1 4.29Å; A334-Y411 HydrophobicContact CB-CE1 3.59Å; A334-Y411 HydrophobicContact CB-CE2 3.86Å; A334-Y411 WeakPolarHBondContact CB-OH 3.16Å; A334-Y411 PolarHBondContact N-O 3.39Å; A334-Y411 PolarHBondContact O-N 3.41Å; L336-Y411 HydrophobicContact CD1-CD1 4.12Å; L336-Y411 HydrophobicContact CD1-CE1 3.91Å; L336-Y411 HydrophobicContact CD2-CE1 4.08Å; L336-Y411 HydrophobicContact CG-CD1 4.31Å; L336-Y411 HydrophobicContact CG-CE1 3.99Å; L405-Y411 HydrophobicContact CD1-CD1 3.69Å; L405-Y411 HydrophobicContact CD1-CE1 3.74Å; L405-Y411 HydrophobicContact CD1-CG 4.34Å; Y411-L413 HydrophobicContact CD2-CD1 4.4Å; Y411-L413 HydrophobicContact CD2-CG 4.16Å; Y411-L413 HydrophobicContact CE2-CD1 3.89Å; Y411-L413 HydrophobicContact CE2-CG 4.16Å; Y411-F421 HydrophobicContact CE2-CE1 4.47Å; Y411-F421 AromaticContact CE2-CZ 3.88Å; Y411-F421 HydrophobicContact CE2-CZ 3.88Å; Y411-F421 AromaticContact CZ-CZ 3.71Å; Y411-F421 VanDerWaalsContact OH-CZ 3.31Å; Y411-F421 WeakPolarHBondContact OH-CZ 3.45Å
412	V	98.7	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.2	173.9	-60.3	0	0	0	0	110	L135 A138 M139 M150 G151 A332 V333	L135-V412 HydrophobicContact CD2-CG1 3.67Å; A138-V412 HydrophobicContact CB-CG2 3.83Å; M139-V412 HydrophobicContact CE-CB 3.69Å; M139-V412 HydrophobicContact CE-CG1 4.48Å; M139-V412 HydrophobicContact CE-CG2 4.18Å; M139-V412 HydrophobicContact SD-CB 4.3Å; M139-V412 HydrophobicContact SD-CG2 4.16Å; M150-V412 WeakPolarHBondContact CA-O 3.24Å; G151-V412 PolarHBondContact N-O 3.3Å; G151-V412 PolarHBondContact O-N 3.24Å; A332-V412 CarbonylContact O-C 3.59Å; A332-V412 WeakPolarHBondContact O-CA 3.49Å; V333-V412 HydrophobicContact CG1-CG1 4.13Å; V333-V412 HydrophobicContact CG2-CG1 4.03Å
413	L	98.3	Very high	98.1	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.5	176.2	-75.5	168.1	0	0	0	108.2	M139 M150 A331 A332 Y411 V417 F421	M139-L413 WeakPolarHBondContact CE-O 3.22Å; M150-L413 HydrophobicContact CB-CD2 4.36Å; M150-L413 HydrophobicContact CE-CD1 4.39Å; M150-L413 HydrophobicContact CE-CD2 3.4Å; M150-L413 HydrophobicContact CE-CG 3.88Å; M150-L413 HydrophobicContact CG-CD2 4.37Å; A331-L413 CarbonylContact C-O 3.49Å; A331-L413 WeakPolarHBondContact CA-O 3.16Å; A331-L413 VanDerWaalsContact CB-O 3.27Å; A331-L413 WeakPolarHBondContact CB-O 3.34Å; A332-L413 HydrophobicContact CB-CB 4.34Å; A332-L413 PolarHBondContact N-O 3.2Å; A332-L413 PolarHBondContact O-N 2.77Å; Y411-L413 HydrophobicContact CD2-CD1 4.4Å; Y411-L413 HydrophobicContact CD2-CG 4.16Å; Y411-L413 HydrophobicContact CE2-CD1 3.89Å; Y411-L413 HydrophobicContact CE2-CG 4.16Å; L413-V417 HydrophobicContact CD2-CG1 4.11Å; L413-F421 HydrophobicContact CD1-CE2 4.48Å; L413-F421 HydrophobicContact CD1-CZ 4.13Å
414	P	97.8	Very high	98.1	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.019	10%	0.104	C	C	.	.			trans	-61.4	160.8	171.3	-22.5	33.5	0	0	0	112.4	M139 P146 H148 V417	M139-P414 WeakPolarHBondContact SD-CA 3.44Å; M139-P414 HydrophobicContact SD-CB 3.82Å; M139-P414 HydrophobicContact SD-CG 3.55Å; M139-P414 VanDerWaalsContact SD-CG 3.55Å; P146-P414 HydrophobicContact CB-CB 3.52Å; P146-P414 HydrophobicContact CB-CG 4.15Å; P146-P414 HydrophobicContact CG-CB 3.65Å; H148-P414 WeakPolarHBondContact O-CG 3.27Å; P414-V417 HydrophobicContact CB-CG2 4.18Å; P414-V417 HydrophobicContact CG-CG2 4.49Å; P414-V417 WeakPolarHBondContact O-CB 3.29Å
415	R	95.3	Very high	98	Very high	88 Å²	88	19.9 Å²	19.9	33%	0.332	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	158.8	172.4	65.1	-178.5	177.5	179.4	-1.6	111.2	E141 P146 T330 V417	E141-R415 IonicContact OE1-CZ 3.32Å; E141-R415 IonicContact OE1-NE 3.93Å; E141-R415 PolarHBondContact OE1-NE 3.17Å; E141-R415 IonicContact OE1-NH2 3.68Å; E141-R415 PolarHBondContact OE1-NH2 3.14Å; E141-R415 IonicContact OE2-CZ 2.69Å; E141-R415 IonicContact OE2-NE 2.69Å; E141-R415 IonicContact OE2-NH2 3.1Å; E141-R415 PolarHBondContact OE2-NH2 3.44Å; P146-R415 HydrophobicContact CG-CG 4.33Å; P146-R415 WeakPolarHBondContact CG-O 3.47Å; T330-R415 WeakPolarHBondContact O-CA 3.49Å; R415-V417 PolarHBondContact O-N 2.9Å; R415-V417 VanDerWaalsContact O-N 3.09Å
416	K	96	Very high	98	Very high	60 Å²	60	19.9 Å²	19.9	26%	0.261	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	14	-178.4	-53	176.1	-178.9	168.6	0	114.6	E144 T329 A359 F362	E144-K416 PolarHBondContact O-NZ 3.24Å; T329-K416 HydrophobicContact CG2-CG 4.17Å; T329-K416 VanDerWaalsContact OG1-CG 3.3Å; T329-K416 WeakPolarHBondContact OG1-CG 3.45Å; T329-K416 PolarHBondContact OG1-N 2.68Å; A359-K416 WeakPolarHBondContact CA-O 3.33Å; A359-K416 HydrophobicContact CB-CB 3.92Å; F362-K416 HydrophobicContact CB-CB 4.33Å; F362-K416 HydrophobicContact CD2-CB 4.04Å; F362-K416 WeakPolarHBondContact CD2-O 3.47Å; F362-K416 HydrophobicContact CG-CB 4.17Å
417	V	98.1	Very high	98	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.018	7%	0.074	C	C	.	.			trans	-91.6	107.5	171.2	174.4	0	0	0	0	109	V149 C356 L413 P414 R415 H419	V149-V417 HydrophobicContact CB-CG1 4.43Å; C356-V417 HydrophobicContact CB-CG1 3.81Å; L413-V417 HydrophobicContact CD2-CG1 4.11Å; P414-V417 HydrophobicContact CB-CG2 4.18Å; P414-V417 HydrophobicContact CG-CG2 4.49Å; P414-V417 WeakPolarHBondContact O-CB 3.29Å; R415-V417 PolarHBondContact O-N 2.9Å; R415-V417 VanDerWaalsContact O-N 3.09Å; V417-H419 HydrophobicContact CG1-CB 4.4Å; V417-H419 PolarHBondContact O-ND1 2.95Å
418	V	98.6	Very high	98.1	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	7%	0.072	C	C	.	.			trans	-70.7	133	165.4	178.1	0	0	0	0	108	C316 H317 A318 F357 F362 V365 V366 I371	C316-V418 HydrophobicContact CB-CG1 3.86Å; H317-V418 CarbonylContact O-C 3.48Å; H317-V418 VanDerWaalsContact O-CA 3.28Å; H317-V418 WeakPolarHBondContact O-CA 3.44Å; A318-V418 HydrophobicContact CB-CG2 4.25Å; F357-V418 HydrophobicContact CB-CB 4.35Å; F357-V418 HydrophobicContact CD2-CB 3.99Å; F357-V418 HydrophobicContact CD2-CG1 3.91Å; F357-V418 WeakPolarHBondContact CD2-O 3.15Å; F357-V418 HydrophobicContact CE2-CG1 4.42Å; F357-V418 PolarHBondContact N-O 3.4Å; F362-V418 HydrophobicContact CD2-CG2 3.75Å; F362-V418 HydrophobicContact CE2-CG2 3.87Å; V365-V418 HydrophobicContact CG1-CB 3.97Å; V365-V418 HydrophobicContact CG1-CG1 3.9Å; V365-V418 HydrophobicContact CG1-CG2 4.03Å; V366-V418 HydrophobicContact CG2-CG2 4.37Å; I371-V418 HydrophobicContact CD1-CG1 3.65Å; I371-V418 HydrophobicContact CD1-CG2 4.25Å
419	H	98.6	Very high	98.1	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.014	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	158.9	-178.6	59.8	-82.6	0	0	0	112.5	C316 H317 D319 V355 C356 V417 F421	C316-H419 CarbonylContact C-O 2.99Å; C316-H419 VanDerWaalsContact CA-O 3.27Å; C316-H419 WeakPolarHBondContact CA-O 2.98Å; H317-H419 AromaticContact CD2-CE1 3.91Å; H317-H419 AromaticContact CD2-NE2 3.76Å; H317-H419 AromaticContact CE1-CD2 3.69Å; H317-H419 AromaticContact CE1-NE2 3.45Å; H317-H419 PolarHBondContact CE1-NE2 2.94Å; H317-H419 PolarHBondContact N-O 2.92Å; H317-H419 PolarHBondContact ND1-O 2.84Å; H317-H419 AromaticContact NE2-CD2 3.83Å; H317-H419 AromaticContact NE2-CE1 3.72Å; H317-H419 AromaticContact NE2-NE2 3.09Å; H317-H419 PolarHBondContact NE2-NE2 3.04Å; H317-H419 PolarHBondContact O-N 2.79Å; D319-H419 IonicContact OD2-CE1 3.31Å; D319-H419 PolarHBondContact OD2-CE1 3.18Å; D319-H419 VanDerWaalsContact OD2-CE1 3.26Å; D319-H419 IonicContact OD2-NE2 2.67Å; V355-H419 CarbonylContact O-C 3.57Å; V355-H419 WeakPolarHBondContact O-CA 3.34Å; V355-H419 VanDerWaalsContact O-CB 3.3Å; V355-H419 WeakPolarHBondContact O-CB 3.24Å; C356-H419 HydrophobicContact CB-CB 4.46Å; V417-H419 HydrophobicContact CG1-CB 4.4Å; V417-H419 PolarHBondContact O-ND1 2.95Å; H419-F421 AromaticContact CD2-CD2 3.87Å; H419-F421 AromaticContact CD2-CE2 3.23Å; H419-F421 WeakPolarHBondContact CD2-CE2 3.48Å; H419-F421 AromaticContact CD2-CZ 3.86Å; H419-F421 AromaticContact NE2-CE2 3.6Å
420	Q	98.1	Very high	98.1	Very high	5 Å²	5	15.4 Å²	15.4	2%	0.023	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.3	176	91.7	-173.5	-3.6	0	0	109.4	T314 C316 V354 V355 W384 V385	T314-Q420 WeakPolarHBondContact O-CA 3.3Å; T314-Q420 WeakPolarHBondContact O-CB 3.37Å; C316-Q420 PolarHBondContact SG-OE1 3.41Å; V354-Q420 VanDerWaalsContact CA-O 3.31Å; V354-Q420 WeakPolarHBondContact CA-O 3.35Å; V354-Q420 WeakPolarHBondContact CG2-O 3.43Å; V355-Q420 HydrophobicContact CB-CG 3.87Å; V355-Q420 HydrophobicContact CG2-CG 3.97Å; V355-Q420 PolarHBondContact N-O 3.42Å; V355-Q420 PolarHBondContact O-N 3.48Å; W384-Q420 HydrophobicContact CH2-CG 3.83Å; W384-Q420 HydrophobicContact CZ3-CB 4.27Å; W384-Q420 HydrophobicContact CZ3-CG 3.91Å; V385-Q420 VanDerWaalsContact CB-OE1 3.3Å; V385-Q420 PolarHBondContact O-NE2 3.28Å
421	F	98.3	Very high	98.1	Very high	12 Å²	12	16 Å²	16	5%	0.053	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.5	178.5	-69.7	-74.2	0	0	0	111.9	R313 T314 K352 E353 V354 L405 Y411 L413 H419	R313-F421 CarbonylContact C-O 3.44Å; R313-F421 WeakPolarHBondContact CA-O 3.48Å; T314-F421 PolarHBondContact N-O 3.25Å; T314-F421 PolarHBondContact O-N 3.33Å; K352-F421 HydrophobicContact CD-CD1 4.16Å; E353-F421 WeakPolarHBondContact O-CA 3.33Å; V354-F421 HydrophobicContact CB-CD1 3.71Å; V354-F421 HydrophobicContact CB-CE1 3.65Å; V354-F421 HydrophobicContact CG2-CD1 3.7Å; V354-F421 HydrophobicContact CG2-CE1 3.37Å; V354-F421 HydrophobicContact CG2-CG 4.49Å; V354-F421 HydrophobicContact CG2-CZ 3.94Å; L405-F421 HydrophobicContact CD1-CE1 4.05Å; Y411-F421 HydrophobicContact CE2-CE1 4.47Å; Y411-F421 AromaticContact CE2-CZ 3.88Å; Y411-F421 HydrophobicContact CE2-CZ 3.88Å; Y411-F421 AromaticContact CZ-CZ 3.71Å; Y411-F421 VanDerWaalsContact OH-CZ 3.31Å; Y411-F421 WeakPolarHBondContact OH-CZ 3.45Å; L413-F421 HydrophobicContact CD1-CE2 4.48Å; L413-F421 HydrophobicContact CD1-CZ 4.13Å; H419-F421 AromaticContact CD2-CD2 3.87Å; H419-F421 AromaticContact CD2-CE2 3.23Å; H419-F421 WeakPolarHBondContact CD2-CE2 3.48Å; H419-F421 AromaticContact CD2-CZ 3.86Å; H419-F421 AromaticContact NE2-CE2 3.6Å
422	R	98.4	Very high	98.1	Very high	79 Å²	79	15.9 Å²	15.9	30%	0.298	7%	0.073	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.3	161.6	178.8	-177	-176.5	-148.5	4.2	107.8	E275 D312 R313 K352 E353 W384 V424	E275-R422 IonicContact OE1-CZ 2.92Å; E275-R422 IonicContact OE1-NE 3.53Å; E275-R422 PolarHBondContact OE1-NE 3.08Å; E275-R422 IonicContact OE1-NH2 2.93Å; E275-R422 PolarHBondContact OE1-NH2 3.44Å; E275-R422 IonicContact OE2-NE 3.7Å; D312-R422 CarbonylContact O-C 3.03Å; D312-R422 WeakPolarHBondContact O-CA 3.41Å; R313-R422 HydrophobicContact CG-CB 4.43Å; R313-R422 HydrophobicContact CG-CG 4.24Å; K352-R422 CarbonylContact C-O 3.53Å; K352-R422 VanDerWaalsContact CA-O 3.25Å; K352-R422 WeakPolarHBondContact CA-O 3.31Å; E353-R422 HydrophobicContact CB-CB 4.33Å; E353-R422 PolarHBondContact N-O 3.27Å; E353-R422 PolarHBondContact O-N 3.35Å; E353-R422 IonicContact OE2-CZ 3.37Å; E353-R422 IonicContact OE2-NH1 3.37Å; E353-R422 PolarHBondContact OE2-NH1 3.19Å; W384-R422 HydrophobicContact CH2-CB 3.9Å; W384-R422 HydrophobicContact CZ2-CB 4.18Å; R422-V424 PolarHBondContact O-N 3.34Å
423	T	98.7	Very high	98	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.018	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.7	170.9	-48.7	0	0	0	0	108.5	R272 E275 D312 V351 K352 S425 V427	R272-T423 HydrophobicContact CB-CG2 3.74Å; E275-T423 WeakPolarHBondContact CB-O 3.32Å; E275-T423 PolarHBondContact N-O 2.79Å; D312-T423 PolarHBondContact O-N 2.84Å; D312-T423 WeakPolarHBondContact OD1-CB 3.26Å; D312-T423 PolarHBondContact OD1-OG1 3.22Å; V351-T423 WeakPolarHBondContact O-CA 3.45Å; K352-T423 PolarHBondContact NZ-OG1 3.3Å; T423-S425 WeakPolarHBondContact CG2-O 3.17Å; T423-V427 HydrophobicContact CG2-CG1 3.59Å
424	V	98	Very high	97.9	Very high	48 Å²	48	18 Å²	18	29%	0.291	8%	0.082	S	C	.	.			trans	-90.2	-34.3	-177.3	-178.3	0	0	0	0	111	V351 E353 R422	V351-V424 PolarHBondContact O-N 3.4Å; E353-V424 HydrophobicContact CB-CG2 4.27Å; E353-V424 HydrophobicContact CG-CG2 3.75Å; R422-V424 PolarHBondContact O-N 3.34Å
425	S	97.4	Very high	97.8	Very high	5 Å²	5	19.9 Å²	19.9	4%	0.035	9%	0.089	C	C	.	.	S	Bend	trans	-140.3	163.4	178.8	82.3	0	0	0	0	111.5	G206 R349 V350 V351 T423 V427	G206-S425 CarbonylContact O-C 3.59Å; G206-S425 WeakPolarHBondContact O-CA 3.47Å; G206-S425 VanDerWaalsContact O-CB 3.29Å; G206-S425 WeakPolarHBondContact O-CB 3.29Å; R349-S425 VanDerWaalsContact CD-OG 3.23Å; R349-S425 WeakPolarHBondContact CD-OG 3.28Å; R349-S425 WeakPolarHBondContact CG-OG 3.37Å; V350-S425 PolarHBondContact O-OG 2.95Å; V351-S425 WeakPolarHBondContact CA-OG 3.46Å; V351-S425 PolarHBondContact O-N 3.21Å; T423-S425 WeakPolarHBondContact CG2-O 3.17Å; S425-V427 PolarHBondContact O-N 2.66Å
426	A	98	Very high	97.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.			trans	-55.5	126.7	-178.4	0	0	0	0	0	112.2	Y203 G206 F208 R272 A338 V339	Y203-A426 HydrophobicContact CE2-CB 4.23Å; G206-A426 WeakPolarHBondContact O-CB 3.34Å; G206-A426 PolarHBondContact O-N 3.02Å; F208-A426 HydrophobicContact CD1-CB 3.55Å; F208-A426 HydrophobicContact CE1-CB 3.75Å; R272-A426 CarbonylContact O-C 3.57Å; R272-A426 WeakPolarHBondContact O-CA 3.4Å; A338-A426 WeakPolarHBondContact CA-O 3.44Å; V339-A426 HydrophobicContact CB-CB 3.85Å; V339-A426 HydrophobicContact CG2-CB 4.31Å; V339-A426 PolarHBondContact N-O 2.86Å
427	V	98.5	Very high	97.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	138.5	-171	65.7	0	0	0	0	111.4	I271 R272 L336 K337 V351 T423 S425	I271-V427 WeakPolarHBondContact CA-O 3.17Å; R272-V427 HydrophobicContact CB-CG1 4.24Å; R272-V427 PolarHBondContact N-O 3.23Å; R272-V427 PolarHBondContact O-N 3.46Å; L336-V427 HydrophobicContact CB-CG2 4.21Å; L336-V427 HydrophobicContact CD2-CG2 4.31Å; K337-V427 WeakPolarHBondContact O-CA 3.49Å; K337-V427 WeakPolarHBondContact O-CG2 3.22Å; V351-V427 HydrophobicContact CB-CB 3.87Å; V351-V427 HydrophobicContact CB-CG1 4.37Å; V351-V427 HydrophobicContact CB-CG2 3.82Å; V351-V427 HydrophobicContact CG1-CB 4.02Å; V351-V427 HydrophobicContact CG1-CG2 3.96Å; V351-V427 HydrophobicContact CG2-CG2 4.02Å; T423-V427 HydrophobicContact CG2-CG1 3.59Å; S425-V427 PolarHBondContact O-N 2.66Å
428	T	98.6	Very high	96.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.9	161.3	-49.6	0	0	0	0	108.6	F163 F164 M269 W270 I271 K337	F163-T428 HydrophobicContact CB-CG2 3.64Å; F163-T428 HydrophobicContact CD2-CG2 4.3Å; F164-T428 WeakPolarHBondContact CB-OG1 3.42Å; M269-T428 HydrophobicContact CG-CG2 3.63Å; M269-T428 HydrophobicContact SD-CG2 3.6Å; M269-T428 VanDerWaalsContact SD-CG2 3.6Å; W270-T428 WeakPolarHBondContact O-CA 3.36Å; I271-T428 HydrophobicContact CG1-CG2 4Å; K337-T428 PolarHBondContact N-O 2.9Å; K337-T428 PolarHBondContact O-N 3.24Å
429	S	98.7	Very high	94.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.2	175.3	-54.6	0	0	0	0	108.7	M269 W270 L336 K352	M269-S429 WeakPolarHBondContact CA-O 3.35Å; W270-S429 VanDerWaalsContact CE2-CB 3.43Å; W270-S429 PolarHBondContact N-O 2.97Å; W270-S429 PolarHBondContact O-N 3.33Å; L336-S429 WeakPolarHBondContact CD2-OG 3.11Å; K352-S429 WeakPolarHBondContact CE-OG 3.43Å
430	V	98.8	Very high	93.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.6	166.8	-180	0	0	0	0	107.4	F163 L218 F233 L237 P267 I268 M269 A334 V335 W432	F163-V430 HydrophobicContact CD2-CB 4.45Å; F163-V430 HydrophobicContact CD2-CG2 3.51Å; F163-V430 HydrophobicContact CE2-CB 4.19Å; F163-V430 HydrophobicContact CE2-CG2 3.69Å; F163-V430 HydrophobicContact CG-CG2 4.38Å; L218-V430 HydrophobicContact CD1-CG1 4Å; F233-V430 HydrophobicContact CE1-CG2 4.2Å; F233-V430 HydrophobicContact CZ-CG2 4.2Å; L237-V430 HydrophobicContact CD1-CG1 4.13Å; P267-V430 HydrophobicContact CB-CG1 3.8Å; I268-V430 CarbonylContact O-C 3.54Å; I268-V430 VanDerWaalsContact O-CA 3.27Å; I268-V430 WeakPolarHBondContact O-CA 3.38Å; M269-V430 HydrophobicContact CB-CG2 4.01Å; M269-V430 HydrophobicContact CG-CG2 3.79Å; M269-V430 HydrophobicContact SD-CG2 4.17Å; A334-V430 CarbonylContact C-O 3.58Å; A334-V430 WeakPolarHBondContact CA-O 3.41Å; A334-V430 WeakPolarHBondContact CB-O 3.33Å; V335-V430 PolarHBondContact N-O 3.14Å; V335-V430 PolarHBondContact O-N 3.19Å; V430-W432 HydrophobicContact CG1-CE3 4.24Å; V430-W432 HydrophobicContact CG1-CZ3 3.96Å
431	A	98.5	Very high	91.8	Very high	14 Å²	14	35.6 Å²	35.6	12%	0.116	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	156.5	-176.5	0	0	0	0	0	112.8	P267 I268 W270 V333 A334	P267-A431 WeakPolarHBondContact CA-O 3.5Å; I268-A431 WeakPolarHBondContact CG1-O 3.43Å; I268-A431 PolarHBondContact N-O 3.41Å; I268-A431 PolarHBondContact O-N 2.69Å; W270-A431 HydrophobicContact CH2-CB 3.52Å; W270-A431 HydrophobicContact CZ3-CB 3.82Å; V333-A431 CarbonylContact O-C 3.57Å; V333-A431 WeakPolarHBondContact O-CA 3.34Å; V333-A431 WeakPolarHBondContact O-CB 3.29Å; A334-A431 HydrophobicContact CB-CB 3.68Å
432	W	98.1	Very high	89.9	Confident	6 Å²	6	37 Å²	37	2%	0.023	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	159.9	175.3	55.7	95.4	0	0	0	111.1	L237 L243 I246 M247 P248 D265 P267 A332 V333 V335 V430	L237-W432 HydrophobicContact CD1-CZ3 4.28Å; L243-W432 HydrophobicContact CB-CH2 4.37Å; L243-W432 HydrophobicContact CB-CZ2 4.41Å; L243-W432 HydrophobicContact CD1-CH2 4.33Å; L243-W432 HydrophobicContact CD2-CH2 3.82Å; L243-W432 HydrophobicContact CD2-CZ2 4.06Å; L243-W432 HydrophobicContact CG-CH2 4.38Å; I246-W432 PolarHBondContact O-NE1 3.32Å; M247-W432 HydrophobicContact SD-CH2 3.91Å; M247-W432 HydrophobicContact SD-CZ2 3.6Å; P248-W432 HydrophobicContact CG-CB 3.97Å; P248-W432 HydrophobicContact CG-CG 4.03Å; D265-W432 CarbonylContact O-C 3.56Å; D265-W432 WeakPolarHBondContact O-CA 3.27Å; D265-W432 WeakPolarHBondContact O-CB 3.29Å; P267-W432 HydrophobicContact CB-CB 4.49Å; P267-W432 HydrophobicContact CB-CD2 4.49Å; P267-W432 HydrophobicContact CB-CE3 3.77Å; P267-W432 HydrophobicContact CB-CZ3 4.41Å; P267-W432 HydrophobicContact CG-CB 4.38Å; P267-W432 HydrophobicContact CG-CD2 4.1Å; P267-W432 HydrophobicContact CG-CE3 3.72Å; P267-W432 HydrophobicContact CG-CG 4.43Å; P267-W432 HydrophobicContact CG-CZ3 4.29Å; A332-W432 WeakPolarHBondContact CA-O 3.2Å; V333-W432 HydrophobicContact CB-CD2 4.23Å; V333-W432 HydrophobicContact CB-CZ2 4.03Å; V333-W432 HydrophobicContact CG1-CH2 4.2Å; V333-W432 HydrophobicContact CG1-CZ2 3.6Å; V333-W432 PolarHBondContact N-O 3.02Å; V333-W432 PolarHBondContact O-N 3.06Å; V335-W432 HydrophobicContact CG2-CH2 3.97Å; V335-W432 HydrophobicContact CG2-CZ3 4.17Å; V430-W432 HydrophobicContact CG1-CE3 4.24Å; V430-W432 HydrophobicContact CG1-CZ3 3.96Å
433	H	97.2	Very high	87.4	Confident	48 Å²	48	40 Å²	40	22%	0.222	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	145	166.3	-58.3	144.7	0	0	0	110.6	D265 D319 V321 T330 A331	D265-H433 HydrophobicContact CB-CB 3.97Å; D265-H433 PolarHBondContact O-N 3.39Å; D319-H433 IonicContact OD1-NE2 3.26Å; V321-H433 HydrophobicContact CG1-CB 4.15Å; T330-H433 HydrophobicContact CG2-CB 3.76Å; A331-H433 CarbonylContact O-C 3.54Å; A331-H433 WeakPolarHBondContact O-CA 3.32Å
434	A	96.2	Very high	84.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	106	175.5	0	0	0	0	0	109.7	I246 T253 T330 A331 V333 L436	I246-A434 HydrophobicContact CD1-CB 3.96Å; I246-A434 HydrophobicContact CG1-CB 3.9Å; T253-A434 HydrophobicContact CG2-CB 4.11Å; T330-A434 PolarHBondContact OG1-O 3.13Å; A331-A434 HydrophobicContact CB-CB 4.47Å; A331-A434 WeakPolarHBondContact CB-O 3.44Å; A331-A434 PolarHBondContact O-N 3.12Å; V333-A434 HydrophobicContact CG2-CB 4.04Å; A434-L436 PolarHBondContact O-N 3.02Å; A434-L436 VanDerWaalsContact O-N 3.07Å
435	R	94.9	Very high	82	Confident	43 Å²	43	48.1 Å²	48.1	16%	0.162	25%	0.254	C	S	.	.			trans	-74.6	97.5	173.8	-56.8	-171.8	-165.6	-142.3	-4.8	109.2	T253 S254 L255 D265 V321 D322	T253-R435 CarbonylContact C-O 3.51Å; T253-R435 WeakPolarHBondContact CA-O 3.42Å; T253-R435 VanDerWaalsContact CB-O 3.23Å; T253-R435 WeakPolarHBondContact CB-O 3.41Å; S254-R435 PolarHBondContact N-O 3.09Å; S254-R435 WeakPolarHBondContact OG-CB 3.39Å; S254-R435 PolarHBondContact OG-O 3.17Å; L255-R435 HydrophobicContact CD1-CG 4.29Å; D265-R435 IonicContact OD1-CZ 2.96Å; D265-R435 IonicContact OD1-NE 3.63Å; D265-R435 IonicContact OD1-NH2 3.63Å; D265-R435 PolarHBondContact OD1-NH2 3.41Å; D265-R435 IonicContact OD2-CZ 3.14Å; D265-R435 IonicContact OD2-NE 3.62Å; D265-R435 PolarHBondContact OD2-NE 3.24Å; D265-R435 IonicContact OD2-NH2 3.95Å; V321-R435 HydrophobicContact CG1-CG 4.26Å; V321-R435 HydrophobicContact CG2-CG 4.34Å; D322-R435 VanDerWaalsContact CG-NH1 3.32Å; D322-R435 IonicContact OD1-CZ 3.97Å; D322-R435 IonicContact OD1-NH1 3.95Å; D322-R435 PolarHBondContact OD1-NH1 2.75Å; D322-R435 IonicContact OD1-NH2 2.98Å; D322-R435 PolarHBondContact OD1-NH2 3.47Å; D322-R435 VanDerWaalsContact OD1-NH2 3.12Å; D322-R435 IonicContact OD2-NH1 2.76Å; D322-R435 PolarHBondContact OD2-NH1 3.17Å; D322-R435 VanDerWaalsContact OD2-NH1 3.13Å
436	L	92.7	Very high	79.3	Confident	38 Å²	38	50.1 Å²	50.1	20%	0.199	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-63.7	146	-174.8	-58.1	177.9	0	0	0	112	M139 I246 A331 A434 L440	M139-L436 HydrophobicContact CB-CD1 3.88Å; M139-L436 HydrophobicContact CG-CD1 4.15Å; I246-L436 HydrophobicContact CD1-CD2 3.71Å; A331-L436 HydrophobicContact CB-CD1 4.04Å; A331-L436 HydrophobicContact CB-CD2 4.31Å; A331-L436 HydrophobicContact CB-CG 4.03Å; A434-L436 PolarHBondContact O-N 3.02Å; A434-L436 VanDerWaalsContact O-N 3.07Å; L436-L440 HydrophobicContact CD1-CD1 4.42Å
437	Q	88.3	Confident	76.2	Confident	70 Å²	70	55.9 Å²	55.9	33%	0.327	29%	0.294	S	S	.	.			trans	-63.2	148.9	164	-68.6	179.9	-2.2	0	0	110.2	S251 L252 T253 Q439	S251-Q437 PolarHBondContact O-NE2 2.98Å; L252-Q437 PolarHBondContact O-N 2.78Å; L252-Q437 VanDerWaalsContact O-N 3.07Å; T253-Q437 WeakPolarHBondContact O-CG 3.3Å; T253-Q437 PolarHBondContact O-NE2 3.2Å; Q437-Q439 PolarHBondContact O-N 3.16Å
438	V	76.5	Confident	73.2	Confident	161 Å²	161	60.6 Å²	60.6	98%	0.976	32%	0.315	S	S	*	.	S	Bend	trans	-60.8	-33.8	179.4	179	0	0	0	0	111.5
439	Q	70.1	Confident	69.9	Low	154 Å²	154	67.7 Å²	67.7	72%	0.72	35%	0.348	S	S	*	.	S	Bend	trans	-115.8	107.1	177	-168.3	170.9	0.3	0	0	109.7	Q437	Q437-Q439 PolarHBondContact O-N 3.16Å
440	L	70.9	Confident	66.6	Low	30 Å²	30	73.5 Å²	73.5	16%	0.157	39%	0.387	C	S	.	.			trans	-81.3	142	168.8	-67.7	169.9	0	0	0	109.2	A136 M139 L252 L436 L442	A136-L440 HydrophobicContact CB-CB 4Å; M139-L440 HydrophobicContact CB-CD1 3.83Å; L252-L440 HydrophobicContact CB-CD2 4.42Å; L252-L440 HydrophobicContact CD2-CD2 4.31Å; L436-L440 HydrophobicContact CD1-CD1 4.42Å; L440-L442 PolarHBondContact O-N 3.29Å
441	P	60.9	Low	63.3	Low	37 Å²	37	82.8 Å²	82.8	24%	0.24	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	74	-176.3	31.8	-35.2	0	0	0	110.8	L252 S444	L252-P441 HydrophobicContact CD2-CG 4.05Å; P441-S444 VanDerWaalsContact CB-OG 3.22Å; P441-S444 WeakPolarHBondContact CB-OG 3.35Å
442	L	58.9	Low	60.5	Low	42 Å²	42	91.3 Å²	91.3	22%	0.22	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-38.6	166.3	-68.5	170.8	0	0	0	110.6	Q92 A136 F137 L440	Q92-L442 PolarHBondContact NE2-O 3.45Å; A136-L442 HydrophobicContact CB-CD2 3.74Å; A136-L442 HydrophobicContact CB-CG 4.1Å; F137-L442 HydrophobicContact CB-CD2 4.34Å; L440-L442 PolarHBondContact O-N 3.29Å
443	D	46.1	Very low	58.6	Low	141 Å²	141	95.6 Å²	95.6	75%	0.754	51%	0.505	S	S	*	.	S	Bend	trans	-112.5	-16.7	-170.5	-60.6	-27.9	0	0	0	114.5	E445	D443-E445 PolarHBondContact O-N 3.43Å
444	S	43.3	Very low	56.6	Low	59 Å²	59	98.1 Å²	98.1	41%	0.413	52%	0.519	S	S	.	.	S	Bend	trans	-64.6	112.7	169.1	58.8	0	0	0	0	105.9	P441 I446	P441-S444 VanDerWaalsContact CB-OG 3.22Å; P441-S444 WeakPolarHBondContact CB-OG 3.35Å; S444-I446 VanDerWaalsContact C-N 3.3Å; S444-I446 PolarHBondContact O-N 3.11Å
445	E	39.1	Very low	54.4	Low	163 Å²	163	103.5 Å²	103.5	76%	0.762	55%	0.548	S	S	*	.			trans	-35.3	107.1	157.1	-69.9	-178.6	160.3	0	0	105.8	D443 N447	D443-E445 PolarHBondContact O-N 3.43Å; E445-N447 PolarHBondContact O-N 3.1Å
446	I	41.4	Very low	52	Low	46 Å²	46	107.1 Å²	107.1	24%	0.236	57%	0.571	C	S	.	*			trans	-57.2	101.6	174.7	-67.2	172.3	0	0	0	101.6	Q129 S444 F448	Q129-I446 HydrophobicContact CG-CG2 4.18Å; S444-I446 VanDerWaalsContact C-N 3.3Å; S444-I446 PolarHBondContact O-N 3.11Å; I446-F448 VanDerWaalsContact C-N 3.3Å; I446-F448 HydrophobicContact CB-CE2 4.35Å; I446-F448 HydrophobicContact CB-CZ 4.4Å; I446-F448 WeakPolarHBondContact O-CD2 3.3Å; I446-F448 VanDerWaalsContact O-CE2 3.31Å; I446-F448 WeakPolarHBondContact O-CE2 3.47Å; I446-F448 WeakPolarHBondContact O-CG 3.41Å; I446-F448 PolarHBondContact O-N 3.02Å
447	N	32.5	Very low	49.4	Very low	122 Å²	122	111.4 Å²	111.4	65%	0.652	59%	0.594	S	S	*	*			trans	-56.5	101.3	-169.5	-107.9	-44.5	0	0	0	106.3	E445 H449	E445-N447 PolarHBondContact O-N 3.1Å; N447-H449 PolarHBondContact O-N 3.39Å
448	F	36.4	Very low	46.9	Very low	99 Å²	99	114.1 Å²	114.1	43%	0.434	61%	0.612	S	S	.	*			trans	-77	48.5	178.8	-67	-84.9	0	0	0	108.1	T91 Q129 I446 C450	T91-F448 HydrophobicContact CG2-CE1 4.39Å; T91-F448 HydrophobicContact CG2-CZ 3.85Å; Q129-F448 VanDerWaalsContact OE1-CE1 3.31Å; I446-F448 VanDerWaalsContact C-N 3.3Å; I446-F448 HydrophobicContact CB-CE2 4.35Å; I446-F448 HydrophobicContact CB-CZ 4.4Å; I446-F448 WeakPolarHBondContact O-CD2 3.3Å; I446-F448 VanDerWaalsContact O-CE2 3.31Å; I446-F448 WeakPolarHBondContact O-CE2 3.47Å; I446-F448 WeakPolarHBondContact O-CG 3.41Å; I446-F448 PolarHBondContact O-N 3.02Å; F448-C450 VanDerWaalsContact C-N 3.31Å; F448-C450 PolarHBondContact O-N 3.2Å
449	H	29.3	Very low	44.7	Very low	149 Å²	149	110.8 Å²	110.8	69%	0.69	59%	0.586	S	S	*	*			trans	-80.7	94.5	159.9	-76.6	-54.6	0	0	0	105.9	N447 F451	N447-H449 PolarHBondContact O-N 3.39Å; H449-F451 PolarHBondContact O-N 3.4Å
450	C	29.4	Very low	42.8	Very low	122 Å²	122	107.5 Å²	107.5	82%	0.824	58%	0.576	S	S	*	*			trans	-44.5	112.9	153.4	-66.5	0	0	0	0	107	F448	F448-C450 VanDerWaalsContact C-N 3.31Å; F448-C450 PolarHBondContact O-N 3.2Å
451	F	28.8	Very low	40.4	Very low	194 Å²	194	113.9 Å²	113.9	85%	0.851	61%	0.611	S	S	*	*			trans	-63.7	138	157.2	-85.1	-88.7	0	0	0	106.9	H449	H449-F451 PolarHBondContact O-N 3.4Å
452	P	39.3	Very low	38.6	Very low	193 Å²	193	120.9 Å²	120.9	100%	1.253	64%	0.644	S	S	*	*			trans	-64.5	0	-158.2	26.6	-35.5	0	0	0	114.2

Retrieved 452 of 452 residues in 229.6 ms (Link to these results)

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