A0A077ZCD5_TRITR Loading...

Pseudouridine synthase

Responsible for synthesis of pseudouridine from uracil.

AlphaFold DB , UniProt , Accession A0A077ZCD5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 404 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	38.1	Very low	35	Very low	236 Å²	236	165.8 Å²	165.8	100%	1.163	88%	0.877	S	S	*	*				0	112.4	0	-88.6	169.9	138.9	0	0	106.7	E3	M1-E3 PolarHBondContact O-N 3.33Å
2	S	35.8	Very low	34.8	Very low	127 Å²	127	160.8 Å²	160.8	89%	0.888	87%	0.865	S	S	*	*			trans	-68.3	109.2	-179.8	30.1	0	0	0	0	109.8	K4	S2-K4 PolarHBondContact O-N 2.62Å
3	E	35.9	Very low	35.1	Very low	184 Å²	184	155.4 Å²	155.4	86%	0.86	84%	0.841	S	S	*	*			trans	-83.4	106.2	-179.8	-78.6	-176.6	147.2	0	0	111.2	M1	M1-E3 PolarHBondContact O-N 3.33Å
4	K	35.1	Very low	35.3	Very low	197 Å²	197	155.8 Å²	155.8	86%	0.857	83%	0.834	S	S	*	*			trans	48.9	97.3	138.7	-64.1	-177	178.5	-179.3	0	117.3	S2 S6	S2-K4 PolarHBondContact O-N 2.62Å; K4-S6 PolarHBondContact O-N 3.44Å
5	L	35.2	Very low	36.2	Very low	177 Å²	177	151.3 Å²	151.3	93%	0.927	82%	0.818	S	S	*	*			trans	-50.5	127.1	153.1	-76.7	129.5	0	0	0	109.9
6	S	35.2	Very low	36.9	Very low	106 Å²	106	150.4 Å²	150.4	74%	0.741	81%	0.813	S	S	*	*			trans	-63	132.5	174.2	48.8	0	0	0	0	111.1	K4 D8	K4-S6 PolarHBondContact O-N 3.44Å; S6-D8 PolarHBondContact O-N 3.34Å
7	D	33.1	Very low	37.5	Very low	154 Å²	154	142.9 Å²	142.9	82%	0.824	77%	0.774	S	S	*	*			trans	-50.9	114.1	174.1	-68.5	-49.4	0	0	0	111.8	K9	D7-K9 PolarHBondContact O-N 2.94Å; D7-K9 VanDerWaalsContact O-N 3.11Å
8	D	34.2	Very low	38.7	Very low	159 Å²	159	139.6 Å²	139.6	85%	0.85	76%	0.761	S	S	*	*			trans	-62.9	107.6	162.2	-81.9	-37.6	0	0	0	107.9	S6 E10	S6-D8 PolarHBondContact O-N 3.34Å; D8-E10 PolarHBondContact O-N 3.18Å
9	K	35.4	Very low	39.6	Very low	202 Å²	202	139 Å²	139	88%	0.878	76%	0.756	S	S	*	*			trans	-65.3	99.9	169	-76	-177.6	175.5	179.9	0	108.3	D7 A11	D7-K9 PolarHBondContact O-N 2.94Å; D7-K9 VanDerWaalsContact O-N 3.11Å; K9-A11 PolarHBondContact O-N 3.25Å; K9-A11 VanDerWaalsContact O-N 3.09Å
10	E	30.9	Very low	40.1	Very low	188 Å²	188	134.6 Å²	134.6	88%	0.879	74%	0.735	S	S	*	*			trans	-50.1	114.9	160.1	-78.1	-178.7	151.2	0	0	108.7	D8 S12	D8-E10 PolarHBondContact O-N 3.18Å; E10-S12 PolarHBondContact O-N 2.91Å
11	A	36.6	Very low	40.7	Very low	94 Å²	94	137.8 Å²	137.8	78%	0.777	74%	0.742	S	S	*	*			trans	-67.6	99.1	171.5	0	0	0	0	0	108.1	K9 V13	K9-A11 PolarHBondContact O-N 3.25Å; K9-A11 VanDerWaalsContact O-N 3.09Å; A11-V13 PolarHBondContact O-N 3.29Å
12	S	32.1	Very low	40.8	Very low	106 Å²	106	136.1 Å²	136.1	74%	0.741	73%	0.728	S	S	*	*			trans	-57.4	118.4	172.6	56.7	0	0	0	0	109.6	E10 E14	E10-S12 PolarHBondContact O-N 2.91Å; S12-E14 PolarHBondContact O-N 3.46Å; S12-E14 VanDerWaalsContact O-N 3.15Å
13	V	38.3	Very low	41.4	Very low	90 Å²	90	133.4 Å²	133.4	55%	0.545	71%	0.713	S	S	.	*			trans	-64.8	110.4	170	179.9	0	0	0	0	107.2	A11 C15	A11-V13 PolarHBondContact O-N 3.29Å; V13-C15 PolarHBondContact O-N 3.49Å; V13-C15 VanDerWaalsContact O-N 3.09Å
14	E	39	Very low	41.5	Very low	161 Å²	161	133.8 Å²	133.8	75%	0.752	71%	0.712	S	S	*	*			trans	-59.8	114.1	173.8	-83.2	-178	154.6	0	0	109.5	S12 D16	S12-E14 PolarHBondContact O-N 3.46Å; S12-E14 VanDerWaalsContact O-N 3.15Å; E14-D16 VanDerWaalsContact C-N 3.31Å; E14-D16 PolarHBondContact O-N 3.16Å
15	C	47.6	Very low	41.5	Very low	88 Å²	88	129.7 Å²	129.7	60%	0.595	72%	0.715	S	S	*	*	S	Bend	trans	-72.5	-21.1	-178.3	-72.3	0	0	0	0	113.8	V13 L357	V13-C15 PolarHBondContact O-N 3.49Å; V13-C15 VanDerWaalsContact O-N 3.09Å; C15-L357 HydrophobicContact CB-CD2 4.49Å
16	D	47.4	Very low	41.6	Very low	138 Å²	138	127.5 Å²	127.5	74%	0.738	71%	0.709	S	S	*	*	S	Bend	trans	-100.9	122.2	-179.7	-77.2	-34.2	0	0	0	111	E14	E14-D16 VanDerWaalsContact C-N 3.31Å; E14-D16 PolarHBondContact O-N 3.16Å
17	P	47.9	Very low	41.8	Very low	23 Å²	23	132.1 Å²	132.1	15%	0.149	72%	0.716	C	S	.	*	P	Polyproline II helix	trans	-70.1	150	-176.9	23.8	-30.3	0	0	0	112.7	L19 W59 M122	P17-L19 PolarHBondContact O-N 3.39Å; P17-L19 VanDerWaalsContact O-N 3.13Å; P17-W59 HydrophobicContact CB-CD2 3.7Å; P17-W59 HydrophobicContact CB-CE3 4.13Å; P17-W59 HydrophobicContact CB-CG 4.1Å; P17-W59 HydrophobicContact CB-CH2 4.22Å; P17-W59 HydrophobicContact CB-CZ2 3.81Å; P17-W59 HydrophobicContact CB-CZ3 4.36Å; P17-W59 HydrophobicContact CG-CD2 4.26Å; P17-W59 HydrophobicContact CG-CE3 4.3Å; P17-W59 HydrophobicContact CG-CH2 3.72Å; P17-W59 HydrophobicContact CG-CZ2 3.67Å; P17-W59 HydrophobicContact CG-CZ3 4.04Å; P17-M122 HydrophobicContact CB-CE 4.28Å; P17-M122 HydrophobicContact CB-SD 3.47Å; P17-M122 WeakPolarHBondContact CB-SD 3.39Å; P17-M122 HydrophobicContact CG-SD 3.51Å; P17-M122 VanDerWaalsContact CG-SD 3.51Å
18	P	58.1	Low	42.1	Very low	82 Å²	82	137.2 Å²	137.2	53%	0.532	72%	0.724	S	S	.	*	P	Polyproline II helix	trans	-64.1	117.1	171.3	26.2	-32.2	0	0	0	110.1	V40 M122	P18-V40 HydrophobicContact CG-CG1 4.25Å; P18-M122 VanDerWaalsContact O-CE 3.29Å; P18-M122 WeakPolarHBondContact O-CE 3.41Å
19	L	57.4	Low	42.3	Very low	129 Å²	129	135 Å²	135	68%	0.675	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-64.1	142.2	170.5	-67.6	172	0	0	0	109.9	P17 K21	P17-L19 PolarHBondContact O-N 3.39Å; P17-L19 VanDerWaalsContact O-N 3.13Å; L19-K21 PolarHBondContact O-N 2.94Å
20	P	49.3	Very low	42.7	Very low	51 Å²	51	130.2 Å²	130.2	33%	0.331	72%	0.718	S	S	.	*	P	Polyproline II helix	trans	-58.7	134.7	177.7	21.4	-30.2	0	0	0	110.7	K22	P20-K22 PolarHBondContact O-N 2.86Å
21	K	52	Low	43.4	Very low	202 Å²	202	128.4 Å²	128.4	88%	0.878	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-61.6	131.5	174.6	-66.2	179.3	-178.3	174.6	0	108.6	L19 A23	L19-K21 PolarHBondContact O-N 2.94Å; K21-A23 PolarHBondContact O-N 2.83Å; K21-A23 VanDerWaalsContact O-N 3.07Å
22	K	41.5	Very low	43.8	Very low	201 Å²	201	133.9 Å²	133.9	87%	0.874	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-49	116.5	177.4	-72.6	-176.8	177.7	179	0	110.4	P20 K24	P20-K22 PolarHBondContact O-N 2.86Å; K22-K24 PolarHBondContact O-N 2.89Å
23	A	47.9	Very low	44.8	Very low	70 Å²	70	136.1 Å²	136.1	58%	0.579	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-61.8	129	171.1	0	0	0	0	0	109.3	K21 A25	K21-A23 PolarHBondContact O-N 2.83Å; K21-A23 VanDerWaalsContact O-N 3.07Å; A23-A25 PolarHBondContact O-N 3.38Å
24	K	36.8	Very low	46	Very low	191 Å²	191	140.5 Å²	140.5	83%	0.83	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-67	121.1	173.6	-77.6	-179.6	177.1	176.5	0	108.4	K22 T26	K22-K24 PolarHBondContact O-N 2.89Å; K24-T26 PolarHBondContact O-N 3.11Å; K24-T26 PolarHBondContact O-OG1 3.08Å; K24-T26 VanDerWaalsContact O-OG1 3.09Å
25	A	36.8	Very low	47.8	Very low	111 Å²	111	136 Å²	136	92%	0.917	70%	0.699	S	S	*	*			trans	-55.9	100.7	175.9	0	0	0	0	0	110.4	A23	A23-A25 PolarHBondContact O-N 3.38Å
26	T	37.1	Very low	49.6	Very low	131 Å²	131	138.7 Å²	138.7	80%	0.804	70%	0.696	S	S	*	*			trans	-102.8	135.8	173.3	0.4	0	0	0	0	108.9	K24 R28	K24-T26 PolarHBondContact O-N 3.11Å; K24-T26 PolarHBondContact O-OG1 3.08Å; K24-T26 VanDerWaalsContact O-OG1 3.09Å; T26-R28 PolarHBondContact O-N 3.28Å
27	K	39.3	Very low	51.7	Low	204 Å²	204	134.1 Å²	134.1	89%	0.887	68%	0.675	S	S	*	*			trans	-51.8	134.6	-176.8	-77.1	177.2	173.6	177	0	110.9	C29	K27-C29 PolarHBondContact O-N 3.06Å
28	R	38.5	Very low	53.8	Low	260 Å²	260	137.8 Å²	137.8	98%	0.981	69%	0.69	S	S	*	*			trans	-47.8	93.3	175.3	-79.2	177.2	167.7	172.4	-4.1	111.7	T26	T26-R28 PolarHBondContact O-N 3.28Å
29	C	39.2	Very low	55.5	Low	114 Å²	114	134.6 Å²	134.6	77%	0.77	67%	0.671	S	S	*	*			trans	-129.3	135.7	151.9	-156	0	0	0	0	105.9	K27 I31	K27-C29 PolarHBondContact O-N 3.06Å; C29-I31 PolarHBondContact O-N 3.01Å
30	A	42.9	Very low	57.2	Low	101 Å²	101	130.7 Å²	130.7	84%	0.835	65%	0.652	S	S	*	*	S	Bend	trans	-71.2	48.6	-160.2	0	0	0	0	0	115.5	R32	A30-R32 PolarHBondContact O-N 2.82Å
31	I	45.3	Very low	59.3	Low	149 Å²	149	131.1 Å²	131.1	76%	0.764	65%	0.654	S	S	*	*			trans	-73.1	84.3	147.7	-51.4	176.6	0	0	0	103.9	C29 E33	C29-I31 PolarHBondContact O-N 3.01Å; I31-E33 HydrophobicContact CG2-CG 4.32Å; I31-E33 PolarHBondContact O-N 2.97Å
32	R	46.5	Very low	61.1	Low	210 Å²	210	129.4 Å²	129.4	79%	0.792	66%	0.655	S	S	*	*			trans	-57.1	88.1	148.8	-77.9	179.2	171.6	173.6	-2.8	103.7	A30 R34	A30-R32 PolarHBondContact O-N 2.82Å; R32-R34 PolarHBondContact O-N 3.01Å
33	E	53.1	Low	63.6	Low	152 Å²	152	121 Å²	121	71%	0.71	63%	0.625	S	S	*	*			trans	-41.6	122.4	151.1	-86.3	179.8	167	0	0	103.5	I31 I35	I31-E33 HydrophobicContact CG2-CG 4.32Å; I31-E33 PolarHBondContact O-N 2.97Å; E33-I35 PolarHBondContact O-N 2.71Å
34	R	62.9	Low	65.9	Low	183 Å²	183	119.1 Å²	119.1	69%	0.691	61%	0.607	S	S	*	*			trans	-66.5	88	-176.3	-75.7	179.2	178.8	-169.6	5.3	105.1	R32 R36	R32-R34 PolarHBondContact O-N 3.01Å; R34-R36 HydrophobicContact CB-CG 4.24Å; R34-R36 VanDerWaalsContact O-CG 3.31Å; R34-R36 WeakPolarHBondContact O-CG 3.39Å; R34-R36 PolarHBondContact O-N 2.65Å
35	I	77.3	Confident	68.7	Low	66 Å²	66	112.2 Å²	112.2	34%	0.338	58%	0.582	S	S	.	*			trans	-59.7	111.6	172.6	-70.7	154.5	0	0	0	104.2	E33 C63 F65 L118	E33-I35 PolarHBondContact O-N 2.71Å; I35-C63 HydrophobicContact CG2-CB 3.48Å; I35-C63 VanDerWaalsContact CG2-CB 3.48Å; I35-F65 HydrophobicContact CD1-CE1 4.29Å; I35-F65 HydrophobicContact CD1-CE2 3.82Å; I35-F65 HydrophobicContact CD1-CZ 3.38Å; I35-L118 HydrophobicContact CD1-CD1 4.27Å; I35-L118 HydrophobicContact CD1-CD2 3.66Å; I35-L118 HydrophobicContact CG1-CD2 4.18Å; I35-L118 HydrophobicContact CG2-CD1 3.64Å; I35-L118 HydrophobicContact CG2-CD2 4.12Å
36	R	84.3	Confident	71.5	Confident	144 Å²	144	109.3 Å²	109.3	54%	0.543	55%	0.548	S	S	.	.			trans	-123.8	144.1	-176.6	-74.8	174.4	-162.9	-165.2	16.3	107.2	R34 E38	R34-R36 HydrophobicContact CB-CG 4.24Å; R34-R36 VanDerWaalsContact O-CG 3.31Å; R34-R36 WeakPolarHBondContact O-CG 3.39Å; R34-R36 PolarHBondContact O-N 2.65Å; R36-E38 PolarHBondContact O-N 3.07Å
37	S	91.9	Very high	74.3	Confident	43 Å²	43	107 Å²	107	30%	0.301	53%	0.526	S	S	.	.			trans	-66.8	130.4	162.4	-54.9	0	0	0	0	108.7	H61 C63	S37-H61 CarbonylContact C-O 3.45Å; S37-H61 WeakPolarHBondContact CA-O 3.39Å; S37-H61 VanDerWaalsContact CB-O 3.28Å; S37-H61 WeakPolarHBondContact CB-O 3.43Å; S37-C63 PolarHBondContact OG-N 3.45Å; S37-C63 PolarHBondContact OG-O 3.1Å
38	E	92.4	Very high	77	Confident	99 Å²	99	101.4 Å²	101.4	46%	0.463	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	157.8	-170.8	69.4	-171.1	158.7	0	0	112.6	R36 F60 H61	R36-E38 PolarHBondContact O-N 3.07Å; E38-F60 VanDerWaalsContact C-CD2 3.44Å; E38-F60 VanDerWaalsContact O-CD2 3.24Å; E38-F60 WeakPolarHBondContact O-CD2 3.06Å; E38-F60 WeakPolarHBondContact O-CE2 3.19Å; E38-H61 PolarHBondContact N-O 3.47Å; E38-H61 PolarHBondContact O-N 2.95Å
39	A	93.8	Very high	79.7	Confident	16 Å²	16	93.1 Å²	93.1	13%	0.132	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	137.9	174.6	0	0	0	0	0	110.3	V41 Y58 F60 Y162 F163	A39-V41 HydrophobicContact CB-CG2 3.93Å; A39-V41 PolarHBondContact O-N 3.34Å; A39-Y58 HydrophobicContact CB-CD2 3.82Å; A39-Y58 HydrophobicContact CB-CE2 3.5Å; A39-F60 HydrophobicContact CB-CD2 4.1Å; A39-F60 HydrophobicContact CB-CE2 4.42Å; A39-Y162 HydrophobicContact CB-CD1 4.4Å; A39-Y162 HydrophobicContact CB-CE1 3.98Å; A39-F163 HydrophobicContact CB-CE2 3.82Å; A39-F163 HydrophobicContact CB-CZ 3.57Å
40	V	92.7	Very high	82.2	Confident	46 Å²	46	94.1 Å²	94.1	28%	0.279	47%	0.474	S	S	.	.	S	Bend	trans	-93.1	52.4	177.7	-164.4	0	0	0	0	109.5	P18 W59 H61	P18-V40 HydrophobicContact CG-CG1 4.25Å; V40-W59 HydrophobicContact CB-CB 3.94Å; V40-W59 HydrophobicContact CG2-CB 4.23Å; V40-W59 PolarHBondContact N-O 3.17Å; V40-H61 WeakPolarHBondContact CG2-CD2 3.45Å
41	V	92.9	Very high	84.5	Confident	60 Å²	60	91.6 Å²	91.6	36%	0.364	46%	0.458	S	S	.	.	S	Bend	trans	-150.7	151.5	177.1	-68.6	0	0	0	0	108.2	A39 G43 Y58 F163	A39-V41 HydrophobicContact CB-CG2 3.93Å; A39-V41 PolarHBondContact O-N 3.34Å; V41-G43 WeakPolarHBondContact CG2-O 3.4Å; V41-G43 PolarHBondContact O-N 2.92Å; V41-Y58 HydrophobicContact CG2-CD2 4.12Å; V41-Y58 HydrophobicContact CG2-CG 4.28Å; V41-F163 HydrophobicContact CG2-CE2 3.76Å; V41-F163 HydrophobicContact CG2-CZ 3.68Å
42	D	91.1	Very high	86.9	Confident	167 Å²	167	84.8 Å²	84.8	89%	0.893	42%	0.423	S	S	*	.	S	Bend	trans	-66.6	-29.4	-179.6	-66.1	-36.1	0	0	0	112.5	Y172	D42-Y172 VanDerWaalsContact O-CE1 3.32Å; D42-Y172 WeakPolarHBondContact O-CE1 3.44Å; D42-Y172 PolarHBondContact O-OH 3.43Å; D42-Y172 VanDerWaalsContact O-OH 3.04Å
43	G	93.2	Very high	89.3	Confident	25 Å²	25	76.8 Å²	76.8	26%	0.258	39%	0.393	S	S	.	.	S	Bend	trans	-170.6	179.5	178.3	0	0	0	0	0	113.4	V41 Y172	V41-G43 WeakPolarHBondContact CG2-O 3.4Å; V41-G43 PolarHBondContact O-N 2.92Å; G43-Y172 VanDerWaalsContact CA-CE1 3.46Å
44	P	95.5	Very high	91.3	Very high	29 Å²	29	70.2 Å²	70.2	19%	0.188	36%	0.362	C	S	.	.			trans	-72.1	137.8	-179.6	27.5	-32	0	0	0	112.2	Y46 F163 Y172	P44-Y46 HydrophobicContact CB-CD1 4.3Å; P44-Y46 HydrophobicContact CB-CD2 3.9Å; P44-Y46 HydrophobicContact CB-CE1 3.92Å; P44-Y46 HydrophobicContact CB-CE2 3.49Å; P44-Y46 VanDerWaalsContact CB-CE2 3.49Å; P44-Y46 HydrophobicContact CB-CG 4.28Å; P44-Y46 VanDerWaalsContact CB-CZ 3.47Å; P44-Y46 HydrophobicContact CG-CD2 3.88Å; P44-Y46 HydrophobicContact CG-CE1 4.46Å; P44-Y46 HydrophobicContact CG-CE2 3.21Å; P44-F163 HydrophobicContact CB-CB 3.81Å; P44-F163 HydrophobicContact CB-CD1 3.78Å; P44-F163 HydrophobicContact CB-CD2 4.01Å; P44-F163 HydrophobicContact CB-CE1 4.31Å; P44-F163 HydrophobicContact CB-CE2 4.5Å; P44-F163 HydrophobicContact CB-CG 3.62Å; P44-F163 HydrophobicContact CG-CD1 4Å; P44-F163 HydrophobicContact CG-CE1 4.44Å; P44-F163 HydrophobicContact CG-CG 4.33Å; P44-Y172 VanDerWaalsContact CD-CD1 3.48Å; P44-Y172 VanDerWaalsContact CD-CG 3.43Å; P44-Y172 HydrophobicContact CG-CD1 4.34Å; P44-Y172 HydrophobicContact CG-CD2 4.13Å; P44-Y172 HydrophobicContact CG-CG 3.89Å
45	S	95.8	Very high	92.8	Very high	46 Å²	46	61.9 Å²	61.9	32%	0.322	33%	0.331	S	S	.	.			trans	-97.8	82.8	164	168	0	0	0	0	109.5	R56	S45-R56 PolarHBondContact O-N 3.4Å; S45-R56 VanDerWaalsContact OG-CD 3.31Å; S45-R56 WeakPolarHBondContact OG-CD 3.39Å; S45-R56 WeakPolarHBondContact OG-CG 3.37Å; S45-R56 PolarHBondContact OG-NH1 3.21Å
46	Y	96.2	Very high	93.6	Very high	50 Å²	50	65.8 Å²	65.8	20%	0.196	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	148.8	177.4	-62.6	-64.8	0	0	0	112.5	P44 R53 K54 V55 F163	P44-Y46 HydrophobicContact CB-CD1 4.3Å; P44-Y46 HydrophobicContact CB-CD2 3.9Å; P44-Y46 HydrophobicContact CB-CE1 3.92Å; P44-Y46 HydrophobicContact CB-CE2 3.49Å; P44-Y46 VanDerWaalsContact CB-CE2 3.49Å; P44-Y46 HydrophobicContact CB-CG 4.28Å; P44-Y46 VanDerWaalsContact CB-CZ 3.47Å; P44-Y46 HydrophobicContact CG-CD2 3.88Å; P44-Y46 HydrophobicContact CG-CE1 4.46Å; P44-Y46 HydrophobicContact CG-CE2 3.21Å; Y46-R53 HydrophobicContact CD1-CG 3.95Å; Y46-R53 HydrophobicContact CE1-CG 4.45Å; Y46-K54 CarbonylContact C-O 3.53Å; Y46-K54 VanDerWaalsContact CA-O 3.25Å; Y46-K54 WeakPolarHBondContact CA-O 3.39Å; Y46-V55 HydrophobicContact CD1-CG2 3.67Å; Y46-V55 HydrophobicContact CE1-CG2 3.59Å; Y46-F163 HydrophobicContact CE1-CB 4.23Å; Y46-F163 PolarHBondContact OH-O 3.47Å
47	Y	96.1	Very high	94	Very high	84 Å²	84	61.5 Å²	61.5	33%	0.329	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	153.6	165.9	67.3	-77.8	0	0	0	109.8	E49 K54 R56	Y47-E49 HydrophobicContact CD2-CB 4.35Å; Y47-E49 HydrophobicContact CE2-CB 4.25Å; Y47-K54 HydrophobicContact CD1-CB 3.9Å; Y47-K54 HydrophobicContact CD2-CB 4.21Å; Y47-K54 HydrophobicContact CE1-CB 3.42Å; Y47-K54 VanDerWaalsContact CE1-CB 3.42Å; Y47-K54 HydrophobicContact CE2-CB 3.79Å; Y47-K54 HydrophobicContact CE2-CD 3.67Å; Y47-K54 HydrophobicContact CE2-CG 4.25Å; Y47-K54 HydrophobicContact CG-CB 4.27Å; Y47-K54 PolarHBondContact N-O 3.24Å; Y47-K54 PolarHBondContact O-N 2.94Å; Y47-K54 WeakPolarHBondContact OH-CD 3.15Å; Y47-R56 HydrophobicContact CD1-CG 3.83Å; Y47-R56 HydrophobicContact CE1-CG 3.97Å
48	I	96.2	Very high	94.1	Very high	86 Å²	86	60.1 Å²	60.1	44%	0.441	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.2	-179.6	-52	-52.3	0	0	0	109.1	L52 R53 D132	I48-L52 WeakPolarHBondContact CA-O 3.49Å; I48-R53 HydrophobicContact CD1-CB 3.87Å; I48-R53 HydrophobicContact CD1-CG 4.24Å; I48-D132 HydrophobicContact CD1-CB 3.96Å; I48-D132 WeakPolarHBondContact CD1-OD1 3.26Å; I48-D132 WeakPolarHBondContact CD1-OD2 3.31Å; I48-D132 WeakPolarHBondContact CG1-OD2 3.47Å; I48-D132 HydrophobicContact CG2-CB 4.13Å
49	E	94.1	Very high	94.1	Very high	85 Å²	85	57 Å²	57	40%	0.397	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	128	178.7	-177.6	177.1	-139	0	0	108.8	Y47 G51 L52 K54	Y47-E49 HydrophobicContact CD2-CB 4.35Å; Y47-E49 HydrophobicContact CE2-CB 4.25Å; E49-G51 VanDerWaalsContact C-N 3.26Å; E49-G51 PolarHBondContact O-N 3.44Å; E49-L52 PolarHBondContact N-O 2.8Å; E49-L52 WeakPolarHBondContact O-CB 3.1Å; E49-L52 PolarHBondContact O-N 2.81Å; E49-K54 HydrophobicContact CB-CD 4.26Å; E49-K54 WeakPolarHBondContact OE2-CE 2.94Å; E49-K54 IonicContact OE2-NZ 2.68Å; E49-K54 PolarHBondContact OE2-NZ 2.98Å
50	N	91.6	Very high	94.1	Very high	136 Å²	136	56.3 Å²	56.3	73%	0.727	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	38	178.7	-57.3	-35.2	0	0	0	114.5	L52	N50-L52 PolarHBondContact O-N 2.64Å
51	G	91.9	Very high	94.1	Very high	47 Å²	47	54.8 Å²	54.8	49%	0.485	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	7.3	-178.4	0	0	0	0	0	114.8	E49 D132	E49-G51 VanDerWaalsContact C-N 3.26Å; E49-G51 PolarHBondContact O-N 3.44Å; G51-D132 PolarHBondContact O-N 2.91Å
52	L	95.8	Very high	94.1	Very high	6 Å²	6	55.8 Å²	55.8	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.6	178.3	-57.8	173.7	0	0	0	111	I48 E49 N50 K54 P129 V130 L131 D364 L370	I48-L52 WeakPolarHBondContact CA-O 3.49Å; E49-L52 PolarHBondContact N-O 2.8Å; E49-L52 WeakPolarHBondContact O-CB 3.1Å; E49-L52 PolarHBondContact O-N 2.81Å; N50-L52 PolarHBondContact O-N 2.64Å; L52-K54 HydrophobicContact CB-CG 4.42Å; L52-P129 HydrophobicContact CB-CB 3.99Å; L52-P129 HydrophobicContact CD1-CB 3.92Å; L52-P129 HydrophobicContact CD1-CG 4.48Å; L52-P129 HydrophobicContact CG-CB 4.39Å; L52-V130 CarbonylContact C-O 3.45Å; L52-V130 WeakPolarHBondContact CA-O 3.35Å; L52-L131 HydrophobicContact CD2-CD2 4.42Å; L52-D364 HydrophobicContact CD1-CB 3.85Å; L52-L370 HydrophobicContact CD2-CD1 3.51Å
53	R	96.6	Very high	94.2	Very high	43 Å²	43	48.5 Å²	48.5	16%	0.162	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	119.4	165.4	173.7	-177	-61.6	-91.9	-15.1	109.5	Y46 I48 V130 D132 N164	Y46-R53 HydrophobicContact CD1-CG 3.95Å; Y46-R53 HydrophobicContact CE1-CG 4.45Å; I48-R53 HydrophobicContact CD1-CB 3.87Å; I48-R53 HydrophobicContact CD1-CG 4.24Å; R53-V130 HydrophobicContact CB-CG2 3.87Å; R53-V130 HydrophobicContact CG-CG2 4.18Å; R53-V130 PolarHBondContact N-O 3.07Å; R53-V130 PolarHBondContact O-N 3.38Å; R53-V130 VanDerWaalsContact O-N 3.13Å; R53-D132 HydrophobicContact CB-CB 4.34Å; R53-D132 IonicContact CZ-OD1 3.72Å; R53-D132 IonicContact NE-OD1 3.61Å; R53-D132 IonicContact NH2-OD1 3.46Å; R53-D132 PolarHBondContact NH2-OD1 2.91Å; R53-N164 PolarHBondContact O-ND2 2.79Å
54	K	95.4	Very high	94.2	Very high	13 Å²	13	49.5 Å²	49.5	6%	0.057	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	157.6	179.5	-58.8	-171.2	-177.1	-172.9	0	110.6	Y46 Y47 E49 L52 P129 D364	Y46-K54 CarbonylContact C-O 3.53Å; Y46-K54 VanDerWaalsContact CA-O 3.25Å; Y46-K54 WeakPolarHBondContact CA-O 3.39Å; Y47-K54 HydrophobicContact CD1-CB 3.9Å; Y47-K54 HydrophobicContact CD2-CB 4.21Å; Y47-K54 HydrophobicContact CE1-CB 3.42Å; Y47-K54 VanDerWaalsContact CE1-CB 3.42Å; Y47-K54 HydrophobicContact CE2-CB 3.79Å; Y47-K54 HydrophobicContact CE2-CD 3.67Å; Y47-K54 HydrophobicContact CE2-CG 4.25Å; Y47-K54 HydrophobicContact CG-CB 4.27Å; Y47-K54 PolarHBondContact N-O 3.24Å; Y47-K54 PolarHBondContact O-N 2.94Å; Y47-K54 WeakPolarHBondContact OH-CD 3.15Å; E49-K54 HydrophobicContact CB-CD 4.26Å; E49-K54 WeakPolarHBondContact OE2-CE 2.94Å; E49-K54 IonicContact OE2-NZ 2.68Å; E49-K54 PolarHBondContact OE2-NZ 2.98Å; L52-K54 HydrophobicContact CB-CG 4.42Å; K54-P129 HydrophobicContact CD-CG 4.36Å; K54-P129 HydrophobicContact CG-CB 4.07Å; K54-P129 HydrophobicContact CG-CG 4.11Å; K54-D364 VanDerWaalsContact CE-OD1 3.27Å; K54-D364 WeakPolarHBondContact CE-OD1 3.4Å; K54-D364 WeakPolarHBondContact CE-OD2 3.24Å; K54-D364 IonicContact NZ-OD1 2.82Å; K54-D364 PolarHBondContact NZ-OD1 2.84Å; K54-D364 IonicContact NZ-OD2 2.63Å; K54-D364 PolarHBondContact NZ-OD2 2.93Å
55	V	95	Very high	94.2	Very high	9 Å²	9	52.8 Å²	52.8	6%	0.055	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126	176	-174.8	0	0	0	0	107	Y46 Y58 F163	Y46-V55 HydrophobicContact CD1-CG2 3.67Å; Y46-V55 HydrophobicContact CE1-CG2 3.59Å; V55-Y58 HydrophobicContact CG1-CD1 4.02Å; V55-Y58 HydrophobicContact CG1-CE1 3.81Å; V55-F163 HydrophobicContact CG1-CB 4.38Å; V55-F163 HydrophobicContact CG1-CD2 3.98Å; V55-F163 HydrophobicContact CG2-CB 4.08Å
56	R	93.8	Very high	94.1	Very high	148 Å²	148	51.2 Å²	51.2	56%	0.558	25%	0.252	S	S	*	.			trans	-57.2	132.2	172.6	-71.7	-163.7	178	104.3	-2.4	108.4	S45 Y47 Y58	S45-R56 PolarHBondContact O-N 3.4Å; S45-R56 VanDerWaalsContact OG-CD 3.31Å; S45-R56 WeakPolarHBondContact OG-CD 3.39Å; S45-R56 WeakPolarHBondContact OG-CG 3.37Å; S45-R56 PolarHBondContact OG-NH1 3.21Å; Y47-R56 HydrophobicContact CD1-CG 3.83Å; Y47-R56 HydrophobicContact CE1-CG 3.97Å; R56-Y58 WeakPolarHBondContact O-CD1 3.03Å
57	P	92.3	Very high	94	Very high	54 Å²	54	52.8 Å²	52.8	35%	0.351	26%	0.26	S	S	.	.			trans	-54.6	149.1	-179	-28.9	37.8	0	0	0	113	H124 R125 H126	P57-H124 VanDerWaalsContact C-NE2 3.3Å; P57-H124 WeakPolarHBondContact CB-CE1 3.29Å; P57-H124 WeakPolarHBondContact CB-NE2 3.29Å; P57-R125 WeakPolarHBondContact CA-O 3.42Å; P57-H126 VanDerWaalsContact CG-CE1 3.48Å; P57-H126 WeakPolarHBondContact CG-CE1 3.25Å; P57-H126 WeakPolarHBondContact CG-ND1 3.48Å
58	Y	93.4	Very high	94	Very high	13 Å²	13	56.7 Å²	56.7	5%	0.051	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	162.1	-173.3	58.8	-85.7	0	0	0	111.9	A39 V41 V55 R56 F60 H124 R125 E127 Y162 F163	A39-Y58 HydrophobicContact CB-CD2 3.82Å; A39-Y58 HydrophobicContact CB-CE2 3.5Å; V41-Y58 HydrophobicContact CG2-CD2 4.12Å; V41-Y58 HydrophobicContact CG2-CG 4.28Å; V55-Y58 HydrophobicContact CG1-CD1 4.02Å; V55-Y58 HydrophobicContact CG1-CE1 3.81Å; R56-Y58 WeakPolarHBondContact O-CD1 3.03Å; Y58-F60 HydrophobicContact CE2-CB 4.45Å; Y58-F60 AromaticContact CE2-CD2 3.91Å; Y58-F60 HydrophobicContact CE2-CD2 3.91Å; Y58-H124 VanDerWaalsContact C-CD2 3.48Å; Y58-H124 PolarHBondContact N-NE2 3.13Å; Y58-H124 PolarHBondContact O-CD2 2.77Å; Y58-H124 VanDerWaalsContact O-CD2 3.3Å; Y58-R125 HydrophobicContact CE2-CB 4.19Å; Y58-R125 HydrophobicContact CE2-CG 4.47Å; Y58-R125 PolarHBondContact N-O 2.82Å; Y58-R125 PolarHBondContact O-N 2.84Å; Y58-R125 WeakPolarHBondContact OH-CD 3.44Å; Y58-E127 HydrophobicContact CE1-CG 4.1Å; Y58-E127 WeakPolarHBondContact CE1-OE1 3.48Å; Y58-E127 PolarHBondContact OH-OE1 3.01Å; Y58-Y162 WeakPolarHBondContact OH-CB 3.38Å; Y58-F163 HydrophobicContact CD1-CD2 4.18Å; Y58-F163 HydrophobicContact CD1-CE2 4.07Å; Y58-F163 HydrophobicContact CD2-CE2 4.02Å; Y58-F163 AromaticContact CE1-CD2 3.48Å; Y58-F163 HydrophobicContact CE1-CD2 3.48Å; Y58-F163 VanDerWaalsContact CE1-CD2 3.48Å; Y58-F163 AromaticContact CE1-CE2 3.7Å; Y58-F163 HydrophobicContact CE1-CE2 3.7Å; Y58-F163 HydrophobicContact CE2-CD2 4.11Å; Y58-F163 AromaticContact CE2-CE2 3.63Å; Y58-F163 HydrophobicContact CE2-CE2 3.63Å; Y58-F163 HydrophobicContact CG-CE2 4.24Å; Y58-F163 AromaticContact CZ-CD2 3.44Å; Y58-F163 VanDerWaalsContact CZ-CD2 3.44Å; Y58-F163 AromaticContact CZ-CE2 3.46Å; Y58-F163 VanDerWaalsContact CZ-CE2 3.46Å; Y58-F163 WeakPolarHBondContact OH-CD2 3.36Å
59	W	92.6	Very high	93.9	Very high	33 Å²	33	58.6 Å²	58.6	13%	0.125	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	137.2	176.3	-71.3	108	0	0	0	111.6	P17 V40 M122 H124 L357	P17-W59 HydrophobicContact CB-CD2 3.7Å; P17-W59 HydrophobicContact CB-CE3 4.13Å; P17-W59 HydrophobicContact CB-CG 4.1Å; P17-W59 HydrophobicContact CB-CH2 4.22Å; P17-W59 HydrophobicContact CB-CZ2 3.81Å; P17-W59 HydrophobicContact CB-CZ3 4.36Å; P17-W59 HydrophobicContact CG-CD2 4.26Å; P17-W59 HydrophobicContact CG-CE3 4.3Å; P17-W59 HydrophobicContact CG-CH2 3.72Å; P17-W59 HydrophobicContact CG-CZ2 3.67Å; P17-W59 HydrophobicContact CG-CZ3 4.04Å; V40-W59 HydrophobicContact CB-CB 3.94Å; V40-W59 HydrophobicContact CG2-CB 4.23Å; V40-W59 PolarHBondContact N-O 3.17Å; W59-M122 HydrophobicContact CE3-CG 3.89Å; W59-M122 HydrophobicContact CE3-SD 4.03Å; W59-M122 HydrophobicContact CZ3-CG 4.34Å; W59-M122 HydrophobicContact CZ3-SD 4.33Å; W59-H124 HydrophobicContact CZ3-CB 4.5Å; W59-L357 HydrophobicContact CZ2-CD1 3.96Å
60	F	93.4	Very high	94.1	Very high	3 Å²	3	54.7 Å²	54.7	1%	0.013	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.6	-179.1	-166.8	-93.6	0	0	0	111.2	E38 A39 Y58 F62 M122 C123 R125 Y162	E38-F60 VanDerWaalsContact C-CD2 3.44Å; E38-F60 VanDerWaalsContact O-CD2 3.24Å; E38-F60 WeakPolarHBondContact O-CD2 3.06Å; E38-F60 WeakPolarHBondContact O-CE2 3.19Å; A39-F60 HydrophobicContact CB-CD2 4.1Å; A39-F60 HydrophobicContact CB-CE2 4.42Å; Y58-F60 HydrophobicContact CE2-CB 4.45Å; Y58-F60 AromaticContact CE2-CD2 3.91Å; Y58-F60 HydrophobicContact CE2-CD2 3.91Å; F60-F62 HydrophobicContact CD1-CD1 4.1Å; F60-F62 AromaticContact CD1-CD2 3.65Å; F60-F62 HydrophobicContact CD1-CD2 3.65Å; F60-F62 AromaticContact CD1-CE1 3.95Å; F60-F62 HydrophobicContact CD1-CE1 3.95Å; F60-F62 AromaticContact CD1-CE2 3.47Å; F60-F62 HydrophobicContact CD1-CE2 3.47Å; F60-F62 VanDerWaalsContact CD1-CE2 3.47Å; F60-F62 AromaticContact CD1-CG 3.96Å; F60-F62 HydrophobicContact CD1-CG 3.96Å; F60-F62 AromaticContact CD1-CZ 3.63Å; F60-F62 HydrophobicContact CD1-CZ 3.63Å; F60-F62 AromaticContact CE1-CD1 3.71Å; F60-F62 HydrophobicContact CE1-CD1 3.71Å; F60-F62 HydrophobicContact CE1-CD2 4.13Å; F60-F62 AromaticContact CE1-CE1 3.57Å; F60-F62 HydrophobicContact CE1-CE1 3.57Å; F60-F62 AromaticContact CE1-CE2 4Å; F60-F62 HydrophobicContact CE1-CE2 4Å; F60-F62 AromaticContact CE1-CG 3.99Å; F60-F62 HydrophobicContact CE1-CG 3.99Å; F60-F62 AromaticContact CE1-CZ 3.72Å; F60-F62 HydrophobicContact CE1-CZ 3.72Å; F60-F62 HydrophobicContact CG-CE2 4.45Å; F60-M122 WeakPolarHBondContact O-CA 3.49Å; F60-C123 PolarHBondContact N-O 2.88Å; F60-C123 PolarHBondContact O-N 2.66Å; F60-R125 HydrophobicContact CB-CB 3.81Å; F60-R125 VanDerWaalsContact CE1-NH1 3.3Å; F60-R125 HydrophobicContact CG-CB 4.48Å; F60-Y162 HydrophobicContact CE2-CD1 4.46Å; F60-Y162 AromaticContact CE2-CD2 3.56Å; F60-Y162 HydrophobicContact CE2-CD2 3.56Å; F60-Y162 AromaticContact CE2-CE2 3.64Å; F60-Y162 HydrophobicContact CE2-CE2 3.64Å; F60-Y162 HydrophobicContact CE2-CG 4.02Å; F60-Y162 AromaticContact CZ-CD2 3.92Å; F60-Y162 HydrophobicContact CZ-CD2 3.92Å; F60-Y162 AromaticContact CZ-CE2 3.97Å; F60-Y162 HydrophobicContact CZ-CE2 3.97Å
61	H	93.3	Very high	94.3	Very high	13 Å²	13	51.5 Å²	51.5	6%	0.06	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.9	171.8	-79.1	-57.2	0	0	0	110.3	S37 E38 V40 R120 M122	S37-H61 CarbonylContact C-O 3.45Å; S37-H61 WeakPolarHBondContact CA-O 3.39Å; S37-H61 VanDerWaalsContact CB-O 3.28Å; S37-H61 WeakPolarHBondContact CB-O 3.43Å; E38-H61 PolarHBondContact N-O 3.47Å; E38-H61 PolarHBondContact O-N 2.95Å; V40-H61 WeakPolarHBondContact CG2-CD2 3.45Å; H61-R120 HydrophobicContact CB-CG 4.35Å; H61-R120 WeakPolarHBondContact ND1-CD 3.4Å; H61-M122 WeakPolarHBondContact CE1-CE 3.46Å
62	F	92.7	Very high	94.5	Very high	81 Å²	81	51.7 Å²	51.7	36%	0.355	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.8	162.2	-71	-81.2	0	0	0	109.3	F60 R120 H121 C123	F60-F62 HydrophobicContact CD1-CD1 4.1Å; F60-F62 AromaticContact CD1-CD2 3.65Å; F60-F62 HydrophobicContact CD1-CD2 3.65Å; F60-F62 AromaticContact CD1-CE1 3.95Å; F60-F62 HydrophobicContact CD1-CE1 3.95Å; F60-F62 AromaticContact CD1-CE2 3.47Å; F60-F62 HydrophobicContact CD1-CE2 3.47Å; F60-F62 VanDerWaalsContact CD1-CE2 3.47Å; F60-F62 AromaticContact CD1-CG 3.96Å; F60-F62 HydrophobicContact CD1-CG 3.96Å; F60-F62 AromaticContact CD1-CZ 3.63Å; F60-F62 HydrophobicContact CD1-CZ 3.63Å; F60-F62 AromaticContact CE1-CD1 3.71Å; F60-F62 HydrophobicContact CE1-CD1 3.71Å; F60-F62 HydrophobicContact CE1-CD2 4.13Å; F60-F62 AromaticContact CE1-CE1 3.57Å; F60-F62 HydrophobicContact CE1-CE1 3.57Å; F60-F62 AromaticContact CE1-CE2 4Å; F60-F62 HydrophobicContact CE1-CE2 4Å; F60-F62 AromaticContact CE1-CG 3.99Å; F60-F62 HydrophobicContact CE1-CG 3.99Å; F60-F62 AromaticContact CE1-CZ 3.72Å; F60-F62 HydrophobicContact CE1-CZ 3.72Å; F60-F62 HydrophobicContact CG-CE2 4.45Å; F62-R120 CarbonylContact O-C 3.34Å; F62-R120 VanDerWaalsContact O-CA 3.27Å; F62-R120 WeakPolarHBondContact O-CA 3.33Å; F62-H121 HydrophobicContact CB-CB 4.4Å; F62-H121 PolarHBondContact N-O 2.97Å; F62-H121 PolarHBondContact O-N 2.82Å; F62-C123 WeakPolarHBondContact CE2-SG 3.35Å
63	C	93.6	Very high	94.6	Very high	14 Å²	14	54.9 Å²	54.9	10%	0.095	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.4	179.1	-57.5	0	0	0	0	110.3	I35 S37 L118 I119 R120	I35-C63 HydrophobicContact CG2-CB 3.48Å; I35-C63 VanDerWaalsContact CG2-CB 3.48Å; S37-C63 PolarHBondContact OG-N 3.45Å; S37-C63 PolarHBondContact OG-O 3.1Å; C63-L118 HydrophobicContact CB-CD1 4.48Å; C63-I119 WeakPolarHBondContact CA-O 3.33Å; C63-R120 PolarHBondContact SG-NH1 2.97Å
64	V	93	Very high	94.6	Very high	47 Å²	47	54.2 Å²	54.2	29%	0.285	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	136.6	179.3	66	0	0	0	0	110.7	W70 I119	V64-W70 HydrophobicContact CG1-CH2 4.06Å; V64-W70 HydrophobicContact CG1-CZ3 3.96Å; V64-W70 HydrophobicContact CG2-CH2 4.15Å; V64-W70 HydrophobicContact CG2-CZ3 4.29Å; V64-I119 HydrophobicContact CG1-CB 4.22Å; V64-I119 PolarHBondContact N-O 2.84Å; V64-I119 PolarHBondContact O-N 2.94Å
65	F	94.8	Very high	94.6	Very high	98 Å²	98	53.6 Å²	53.6	43%	0.43	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	142.5	167.7	-76.2	-74.5	0	0	0	110.2	I35 K67 D117 L118	I35-F65 HydrophobicContact CD1-CE1 4.29Å; I35-F65 HydrophobicContact CD1-CE2 3.82Å; I35-F65 HydrophobicContact CD1-CZ 3.38Å; F65-K67 PolarHBondContact O-N 3.02Å; F65-D117 CarbonylContact C-O 3.56Å; F65-D117 WeakPolarHBondContact CA-O 3.36Å; F65-L118 HydrophobicContact CD1-CB 4.3Å; F65-L118 HydrophobicContact CD1-CD1 4.42Å; F65-L118 HydrophobicContact CE1-CB 4.12Å; F65-L118 HydrophobicContact CE1-CD1 4.4Å
66	A	94.9	Very high	94.5	Very high	12 Å²	12	53.5 Å²	53.5	10%	0.099	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-53.6	129.7	177.7	0	0	0	0	0	111.2	W70 F71 I113 K114 D117	A66-W70 HydrophobicContact CB-CE3 4.44Å; A66-F71 HydrophobicContact CB-CD1 4.34Å; A66-F71 HydrophobicContact CB-CE1 3.82Å; A66-I113 HydrophobicContact CB-CG2 3.45Å; A66-I113 VanDerWaalsContact CB-CG2 3.45Å; A66-K114 WeakPolarHBondContact CB-O 3.45Å; A66-D117 HydrophobicContact CB-CB 3.97Å; A66-D117 PolarHBondContact N-O 3.25Å
67	K	93.4	Very high	94.4	Very high	83 Å²	83	51.5 Å²	51.5	36%	0.361	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-88.5	149.9	177.6	-58.5	-178.8	-169.6	168.5	0	109.5	F65 R69 W70 F71	F65-K67 PolarHBondContact O-N 3.02Å; K67-R69 VanDerWaalsContact C-N 3.27Å; K67-R69 HydrophobicContact CB-CG 4.4Å; K67-R69 VanDerWaalsContact CD-CZ 3.49Å; K67-R69 VanDerWaalsContact CD-NH2 3.33Å; K67-R69 PolarHBondContact O-N 3.44Å; K67-R69 VanDerWaalsContact O-N 3.14Å; K67-W70 HydrophobicContact CB-CD2 3.81Å; K67-W70 HydrophobicContact CB-CE3 4.06Å; K67-W70 HydrophobicContact CB-CG 4.25Å; K67-W70 HydrophobicContact CB-CZ2 4.34Å; K67-W70 HydrophobicContact CB-CZ3 4.39Å; K67-W70 HydrophobicContact CD-CH2 3.79Å; K67-W70 HydrophobicContact CD-CZ2 3.53Å; K67-W70 HydrophobicContact CD-CZ3 4.38Å; K67-W70 HydrophobicContact CG-CD2 4.19Å; K67-W70 HydrophobicContact CG-CE3 4.12Å; K67-W70 HydrophobicContact CG-CH2 3.85Å; K67-W70 HydrophobicContact CG-CZ2 3.93Å; K67-W70 HydrophobicContact CG-CZ3 3.93Å; K67-W70 WeakPolarHBondContact O-CA 3.34Å; K67-W70 VanDerWaalsContact O-CB 3.27Å; K67-W70 WeakPolarHBondContact O-CB 3.3Å; K67-W70 PolarHBondContact O-N 3.19Å; K67-F71 WeakPolarHBondContact O-CD1 3.39Å; K67-F71 VanDerWaalsContact O-CE1 3.27Å; K67-F71 WeakPolarHBondContact O-CE1 3.31Å
68	E	95.2	Very high	94.5	Very high	167 Å²	167	49.2 Å²	49.2	78%	0.78	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-50.1	-44.4	-176.7	-173.2	178.6	179.1	0	0	114	W70 F71	E68-W70 PolarHBondContact O-N 2.95Å; E68-F71 VanDerWaalsContact CA-CE2 3.48Å; E68-F71 HydrophobicContact CB-CD2 4.46Å; E68-F71 HydrophobicContact CB-CE2 4.08Å; E68-F71 HydrophobicContact CB-CZ 4.39Å; E68-F71 HydrophobicContact CG-CD2 4.26Å; E68-F71 HydrophobicContact CG-CE2 4.12Å; E68-F71 WeakPolarHBondContact O-CB 3.24Å; E68-F71 WeakPolarHBondContact O-CD2 3.25Å; E68-F71 VanDerWaalsContact O-CG 3.3Å; E68-F71 WeakPolarHBondContact O-CG 3.3Å; E68-F71 PolarHBondContact O-N 3.49Å; E68-F71 VanDerWaalsContact O-N 3.1Å
69	R	95.6	Very high	94.3	Very high	126 Å²	126	48.8 Å²	48.8	48%	0.475	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-65	-9.5	178.3	67.8	176.3	-176.5	-95	6.8	115.3	K67 K73 E82	K67-R69 VanDerWaalsContact C-N 3.27Å; K67-R69 HydrophobicContact CB-CG 4.4Å; K67-R69 VanDerWaalsContact CD-CZ 3.49Å; K67-R69 VanDerWaalsContact CD-NH2 3.33Å; K67-R69 PolarHBondContact O-N 3.44Å; K67-R69 VanDerWaalsContact O-N 3.14Å; R69-K73 WeakPolarHBondContact O-CE 3.27Å; R69-K73 PolarHBondContact O-NZ 3.47Å; R69-E82 WeakPolarHBondContact CD-OE1 3.24Å; R69-E82 IonicContact CZ-OE1 3.96Å; R69-E82 IonicContact CZ-OE2 3.89Å; R69-E82 VanDerWaalsContact NE-CD 3.29Å; R69-E82 IonicContact NE-OE1 3.89Å; R69-E82 PolarHBondContact NE-OE1 3.13Å; R69-E82 IonicContact NE-OE2 2.62Å; R69-E82 PolarHBondContact NE-OE2 3.37Å; R69-E82 IonicContact NH2-OE2 3.63Å; R69-E82 PolarHBondContact NH2-OE2 3Å
70	W	97	Very high	94	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.008	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-94.2	-16.4	177.3	-56.8	-19.9	0	0	0	112.4	V64 A66 K67 E68 G72 K73 V78 E82 M83 I113 I119	V64-W70 HydrophobicContact CG1-CH2 4.06Å; V64-W70 HydrophobicContact CG1-CZ3 3.96Å; V64-W70 HydrophobicContact CG2-CH2 4.15Å; V64-W70 HydrophobicContact CG2-CZ3 4.29Å; A66-W70 HydrophobicContact CB-CE3 4.44Å; K67-W70 HydrophobicContact CB-CD2 3.81Å; K67-W70 HydrophobicContact CB-CE3 4.06Å; K67-W70 HydrophobicContact CB-CG 4.25Å; K67-W70 HydrophobicContact CB-CZ2 4.34Å; K67-W70 HydrophobicContact CB-CZ3 4.39Å; K67-W70 HydrophobicContact CD-CH2 3.79Å; K67-W70 HydrophobicContact CD-CZ2 3.53Å; K67-W70 HydrophobicContact CD-CZ3 4.38Å; K67-W70 HydrophobicContact CG-CD2 4.19Å; K67-W70 HydrophobicContact CG-CE3 4.12Å; K67-W70 HydrophobicContact CG-CH2 3.85Å; K67-W70 HydrophobicContact CG-CZ2 3.93Å; K67-W70 HydrophobicContact CG-CZ3 3.93Å; K67-W70 WeakPolarHBondContact O-CA 3.34Å; K67-W70 VanDerWaalsContact O-CB 3.27Å; K67-W70 WeakPolarHBondContact O-CB 3.3Å; K67-W70 PolarHBondContact O-N 3.19Å; E68-W70 PolarHBondContact O-N 2.95Å; W70-G72 PolarHBondContact O-N 2.97Å; W70-K73 WeakPolarHBondContact O-CB 3.41Å; W70-K73 PolarHBondContact O-N 3.08Å; W70-K73 VanDerWaalsContact O-N 3.11Å; W70-V78 HydrophobicContact CB-CG1 4.24Å; W70-V78 HydrophobicContact CB-CG2 4.25Å; W70-V78 HydrophobicContact CD2-CG1 3.84Å; W70-V78 HydrophobicContact CG-CG1 3.65Å; W70-V78 HydrophobicContact CG-CG2 4.4Å; W70-E82 VanDerWaalsContact CD1-OE1 3.25Å; W70-E82 WeakPolarHBondContact CZ2-OE2 3.44Å; W70-E82 PolarHBondContact NE1-OE1 2.94Å; W70-E82 PolarHBondContact NE1-OE2 3.39Å; W70-M83 HydrophobicContact CH2-CE 3.95Å; W70-M83 HydrophobicContact CZ2-CE 4.15Å; W70-I113 HydrophobicContact CB-CB 4.44Å; W70-I113 HydrophobicContact CB-CD1 3.94Å; W70-I113 HydrophobicContact CB-CG2 4.06Å; W70-I119 HydrophobicContact CE3-CD1 4.11Å; W70-I119 HydrophobicContact CZ3-CD1 4.18Å
71	F	96.7	Very high	93.6	Very high	70 Å²	70	57.9 Å²	57.9	31%	0.307	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	136.1	-172.9	-58.5	-16	0	0	0	111.5	A66 K67 E68 K73 I113 N115	A66-F71 HydrophobicContact CB-CD1 4.34Å; A66-F71 HydrophobicContact CB-CE1 3.82Å; K67-F71 WeakPolarHBondContact O-CD1 3.39Å; K67-F71 VanDerWaalsContact O-CE1 3.27Å; K67-F71 WeakPolarHBondContact O-CE1 3.31Å; E68-F71 VanDerWaalsContact CA-CE2 3.48Å; E68-F71 HydrophobicContact CB-CD2 4.46Å; E68-F71 HydrophobicContact CB-CE2 4.08Å; E68-F71 HydrophobicContact CB-CZ 4.39Å; E68-F71 HydrophobicContact CG-CD2 4.26Å; E68-F71 HydrophobicContact CG-CE2 4.12Å; E68-F71 WeakPolarHBondContact O-CB 3.24Å; E68-F71 WeakPolarHBondContact O-CD2 3.25Å; E68-F71 VanDerWaalsContact O-CG 3.3Å; E68-F71 WeakPolarHBondContact O-CG 3.3Å; E68-F71 PolarHBondContact O-N 3.49Å; E68-F71 VanDerWaalsContact O-N 3.1Å; F71-K73 PolarHBondContact O-N 2.68Å; F71-I113 CarbonylContact C-O 3.52Å; F71-I113 VanDerWaalsContact CA-O 3.32Å; F71-I113 WeakPolarHBondContact CA-O 3.32Å; F71-I113 HydrophobicContact CD1-CG2 4.49Å; F71-N115 HydrophobicContact CD1-CB 4.49Å; F71-N115 HydrophobicContact CD2-CB 4.13Å; F71-N115 HydrophobicContact CE1-CB 4.04Å; F71-N115 HydrophobicContact CE2-CB 3.61Å; F71-N115 HydrophobicContact CZ-CB 3.58Å; F71-N115 VanDerWaalsContact CZ-OD1 3.28Å; F71-N115 WeakPolarHBondContact CZ-OD1 3.38Å
72	G	96.1	Very high	93.1	Very high	51 Å²	51	60.4 Å²	60.4	53%	0.526	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	1.4	-178.3	0	0	0	0	0	114.8	W70 I113	W70-G72 PolarHBondContact O-N 2.97Å; G72-I113 PolarHBondContact N-O 2.92Å
73	K	97.3	Very high	92.6	Very high	72 Å²	72	59.4 Å²	59.4	31%	0.313	29%	0.293	S	S	.	.	S	Bend	trans	-94.9	149.1	175.3	-62	-179.4	179.7	163.4	0	110.8	R69 W70 F71 V78 E112 I113	R69-K73 WeakPolarHBondContact O-CE 3.27Å; R69-K73 PolarHBondContact O-NZ 3.47Å; W70-K73 WeakPolarHBondContact O-CB 3.41Å; W70-K73 PolarHBondContact O-N 3.08Å; W70-K73 VanDerWaalsContact O-N 3.11Å; F71-K73 PolarHBondContact O-N 2.68Å; K73-V78 HydrophobicContact CB-CG2 3.58Å; K73-V78 HydrophobicContact CD-CG2 4.09Å; K73-V78 HydrophobicContact CG-CG2 4.49Å; K73-E112 WeakPolarHBondContact O-CA 3.46Å; K73-I113 PolarHBondContact O-N 2.99Å
74	A	96.8	Very high	91.3	Very high	30 Å²	30	62.5 Å²	62.5	25%	0.248	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-62.9	135.6	174.4	0	0	0	0	0	110.8	G76 E77 V78 Y111	A74-G76 VanDerWaalsContact C-N 3.31Å; A74-G76 PolarHBondContact O-N 2.96Å; A74-E77 HydrophobicContact CB-CB 4.27Å; A74-E77 PolarHBondContact O-N 2.85Å; A74-E77 VanDerWaalsContact O-N 3.16Å; A74-V78 PolarHBondContact O-N 2.72Å; A74-Y111 CarbonylContact C-O 3.55Å; A74-Y111 WeakPolarHBondContact CA-O 3.33Å
75	L	95.7	Very high	90	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-54.8	-45.7	-179.1	-176.6	68.3	0	0	0	112.1	E77 V78 F79 I95 V100 V102 V107 P109 Y111 I113 I119	L75-E77 PolarHBondContact O-N 3.43Å; L75-V78 PolarHBondContact O-N 2.84Å; L75-F79 HydrophobicContact CD1-CD2 3.74Å; L75-F79 HydrophobicContact CD1-CE2 3.44Å; L75-F79 VanDerWaalsContact CD1-CE2 3.44Å; L75-F79 HydrophobicContact CG-CD2 4.09Å; L75-F79 HydrophobicContact CG-CE2 4.12Å; L75-F79 VanDerWaalsContact O-CD2 3.31Å; L75-F79 WeakPolarHBondContact O-CD2 3.44Å; L75-F79 PolarHBondContact O-N 3.17Å; L75-I95 HydrophobicContact CD2-CD1 4.03Å; L75-I95 HydrophobicContact CD2-CG1 4.11Å; L75-I95 HydrophobicContact CD2-CG2 4.18Å; L75-I95 HydrophobicContact CG-CD1 3.93Å; L75-V100 HydrophobicContact CD2-CG1 4.01Å; L75-V102 HydrophobicContact CD1-CG2 4.46Å; L75-V102 HydrophobicContact CD2-CG2 4.15Å; L75-V107 HydrophobicContact CD2-CG2 3.44Å; L75-V107 VanDerWaalsContact CD2-CG2 3.44Å; L75-P109 PolarHBondContact N-O 2.77Å; L75-Y111 PolarHBondContact N-O 2.86Å; L75-I113 HydrophobicContact CB-CG1 4.41Å; L75-I113 HydrophobicContact CD1-CD1 3.85Å; L75-I113 HydrophobicContact CD1-CG1 3.97Å; L75-I119 HydrophobicContact CD1-CD1 4.07Å; L75-I119 HydrophobicContact CD1-CG2 4.46Å
76	G	93.2	Very high	88.4	Confident	6 Å²	6	60.1 Å²	60.1	6%	0.062	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-43.8	178.3	0	0	0	0	0	112.6	A74 F79 E80 P109	A74-G76 VanDerWaalsContact C-N 3.31Å; A74-G76 PolarHBondContact O-N 2.96Å; G76-F79 PolarHBondContact O-N 3.06Å; G76-E80 WeakPolarHBondContact O-CG 3.48Å; G76-E80 PolarHBondContact O-N 3.47Å; G76-P109 PolarHBondContact N-O 3.37Å
77	E	92.1	Very high	87.2	Confident	107 Å²	107	63.5 Å²	63.5	50%	0.5	32%	0.317	S	S	.	.	H	α-helix	trans	-63.6	-44.7	178	-172.2	-163	149	0	0	111.4	A74 L75 F79 E80 K81	A74-E77 HydrophobicContact CB-CB 4.27Å; A74-E77 PolarHBondContact O-N 2.85Å; A74-E77 VanDerWaalsContact O-N 3.16Å; L75-E77 PolarHBondContact O-N 3.43Å; E77-F79 VanDerWaalsContact C-N 3.34Å; E77-F79 PolarHBondContact O-N 3.26Å; E77-E80 PolarHBondContact O-N 3.43Å; E77-K81 WeakPolarHBondContact O-CB 3.44Å; E77-K81 PolarHBondContact O-N 3.1Å
78	V	92.8	Very high	86.1	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.03	34%	0.339	C	S	.	.	H	α-helix	trans	-63.4	-41.9	179.2	169.9	0	0	0	0	111.2	W70 K73 A74 L75 K81 E82 I113	W70-V78 HydrophobicContact CB-CG1 4.24Å; W70-V78 HydrophobicContact CB-CG2 4.25Å; W70-V78 HydrophobicContact CD2-CG1 3.84Å; W70-V78 HydrophobicContact CG-CG1 3.65Å; W70-V78 HydrophobicContact CG-CG2 4.4Å; K73-V78 HydrophobicContact CB-CG2 3.58Å; K73-V78 HydrophobicContact CD-CG2 4.09Å; K73-V78 HydrophobicContact CG-CG2 4.49Å; A74-V78 PolarHBondContact O-N 2.72Å; L75-V78 PolarHBondContact O-N 2.84Å; V78-K81 PolarHBondContact O-N 3.22Å; V78-E82 WeakPolarHBondContact O-CB 3.18Å; V78-E82 PolarHBondContact O-N 2.84Å; V78-I113 HydrophobicContact CB-CD1 3.9Å; V78-I113 HydrophobicContact CG1-CD1 4Å; V78-I113 HydrophobicContact CG2-CD1 3.89Å
79	F	90.4	Very high	85.4	Confident	5 Å²	5	59.1 Å²	59.1	2%	0.022	32%	0.316	C	S	.	.	H	α-helix	trans	-65.8	-48.3	177.8	-92	-109.5	0	0	0	112.1	L75 G76 E77 K81 M83 F91 V100 I119 H121	L75-F79 HydrophobicContact CD1-CD2 3.74Å; L75-F79 HydrophobicContact CD1-CE2 3.44Å; L75-F79 VanDerWaalsContact CD1-CE2 3.44Å; L75-F79 HydrophobicContact CG-CD2 4.09Å; L75-F79 HydrophobicContact CG-CE2 4.12Å; L75-F79 VanDerWaalsContact O-CD2 3.31Å; L75-F79 WeakPolarHBondContact O-CD2 3.44Å; L75-F79 PolarHBondContact O-N 3.17Å; G76-F79 PolarHBondContact O-N 3.06Å; E77-F79 VanDerWaalsContact C-N 3.34Å; E77-F79 PolarHBondContact O-N 3.26Å; F79-K81 PolarHBondContact O-N 3.03Å; F79-M83 HydrophobicContact CD1-CB 4.36Å; F79-M83 HydrophobicContact CD1-CG 3.88Å; F79-M83 HydrophobicContact CE1-CG 4.3Å; F79-M83 HydrophobicContact CG-CG 4.17Å; F79-M83 WeakPolarHBondContact O-CA 3.22Å; F79-M83 VanDerWaalsContact O-CB 3.24Å; F79-M83 WeakPolarHBondContact O-CB 3.41Å; F79-M83 PolarHBondContact O-N 3.41Å; F79-M83 VanDerWaalsContact O-O 3.1Å; F79-F91 HydrophobicContact CB-CB 3.66Å; F79-F91 HydrophobicContact CB-CD1 4.31Å; F79-F91 HydrophobicContact CB-CD2 4.15Å; F79-F91 HydrophobicContact CB-CG 3.79Å; F79-F91 HydrophobicContact CD1-CB 4.17Å; F79-F91 AromaticContact CD1-CD1 3.5Å; F79-F91 HydrophobicContact CD1-CD1 3.5Å; F79-F91 AromaticContact CD1-CE1 3.98Å; F79-F91 HydrophobicContact CD1-CE1 3.98Å; F79-F91 AromaticContact CD1-CG 3.89Å; F79-F91 HydrophobicContact CD1-CG 3.89Å; F79-F91 HydrophobicContact CE1-CD1 4.32Å; F79-F91 HydrophobicContact CG-CB 4.33Å; F79-F91 HydrophobicContact CG-CD1 4.38Å; F79-F91 HydrophobicContact CG-CG 4.35Å; F79-V100 HydrophobicContact CE1-CG1 4.29Å; F79-V100 HydrophobicContact CE1-CG2 4.03Å; F79-V100 HydrophobicContact CE2-CG1 4.18Å; F79-V100 HydrophobicContact CZ-CG1 3.7Å; F79-V100 HydrophobicContact CZ-CG2 4.28Å; F79-I119 HydrophobicContact CE2-CG2 3.74Å; F79-I119 HydrophobicContact CZ-CG2 3.6Å; F79-H121 HydrophobicContact CE1-CB 4.01Å; F79-H121 HydrophobicContact CZ-CB 4.31Å
80	E	86.4	Confident	84.8	Confident	77 Å²	77	56.1 Å²	56.1	36%	0.36	31%	0.307	S	S	.	.	H	α-helix	trans	-62.8	-29.8	178.1	-67.6	-69.7	158.7	0	0	112.4	G76 E77 G89 F91 V92	G76-E80 WeakPolarHBondContact O-CG 3.48Å; G76-E80 PolarHBondContact O-N 3.47Å; E77-E80 PolarHBondContact O-N 3.43Å; E80-G89 WeakPolarHBondContact OE1-CA 3.48Å; E80-F91 PolarHBondContact OE1-N 3.49Å; E80-V92 HydrophobicContact CG-CG2 4.42Å
81	K	84	Confident	84.3	Confident	149 Å²	149	56.3 Å²	56.3	65%	0.648	31%	0.308	S	S	*	.	H	α-helix	trans	-84.7	-39.6	-179.3	-175.2	175.3	-177.3	169.1	0	114.2	E77 V78 F79	E77-K81 WeakPolarHBondContact O-CB 3.44Å; E77-K81 PolarHBondContact O-N 3.1Å; V78-K81 PolarHBondContact O-N 3.22Å; F79-K81 PolarHBondContact O-N 3.03Å
82	E	84.4	Confident	83.9	Confident	67 Å²	67	54.7 Å²	54.7	31%	0.313	30%	0.304	S	S	.	.	H	α-helix	trans	-112.3	-17.9	-169.5	-65.6	-156.9	-158.4	0	0	114.7	R69 W70 V78	R69-E82 WeakPolarHBondContact CD-OE1 3.24Å; R69-E82 IonicContact CZ-OE1 3.96Å; R69-E82 IonicContact CZ-OE2 3.89Å; R69-E82 VanDerWaalsContact NE-CD 3.29Å; R69-E82 IonicContact NE-OE1 3.89Å; R69-E82 PolarHBondContact NE-OE1 3.13Å; R69-E82 IonicContact NE-OE2 2.62Å; R69-E82 PolarHBondContact NE-OE2 3.37Å; R69-E82 IonicContact NH2-OE2 3.63Å; R69-E82 PolarHBondContact NH2-OE2 3Å; W70-E82 VanDerWaalsContact CD1-OE1 3.25Å; W70-E82 WeakPolarHBondContact CZ2-OE2 3.44Å; W70-E82 PolarHBondContact NE1-OE1 2.94Å; W70-E82 PolarHBondContact NE1-OE2 3.39Å; V78-E82 WeakPolarHBondContact O-CB 3.18Å; V78-E82 PolarHBondContact O-N 2.84Å
83	M	81.3	Confident	83.5	Confident	59 Å²	59	55.9 Å²	55.9	29%	0.291	30%	0.304	S	S	.	.	S	Bend	trans	-103	140.4	174	-53.2	-64.1	171.2	0	0	108	W70 F79 F91	W70-M83 HydrophobicContact CH2-CE 3.95Å; W70-M83 HydrophobicContact CZ2-CE 4.15Å; F79-M83 HydrophobicContact CD1-CB 4.36Å; F79-M83 HydrophobicContact CD1-CG 3.88Å; F79-M83 HydrophobicContact CE1-CG 4.3Å; F79-M83 HydrophobicContact CG-CG 4.17Å; F79-M83 WeakPolarHBondContact O-CA 3.22Å; F79-M83 VanDerWaalsContact O-CB 3.24Å; F79-M83 WeakPolarHBondContact O-CB 3.41Å; F79-M83 PolarHBondContact O-N 3.41Å; F79-M83 VanDerWaalsContact O-O 3.1Å; M83-F91 HydrophobicContact CB-CD2 4.47Å; M83-F91 HydrophobicContact CB-CE1 3.91Å; M83-F91 HydrophobicContact CB-CE2 3.67Å; M83-F91 HydrophobicContact CB-CZ 3.33Å; M83-F91 VanDerWaalsContact O-CE2 3.3Å; M83-F91 WeakPolarHBondContact O-CE2 3.39Å
84	Y	65.3	Low	83.1	Confident	80 Å²	80	52.6 Å²	52.6	31%	0.314	29%	0.29	S	S	.	.			trans	-87.1	131.4	179.2	174.4	-90.1	0	0	0	110.8	F91 D338	Y84-F91 WeakPolarHBondContact O-CZ 3.45Å; Y84-D338 HydrophobicContact CD1-CB 3.94Å; Y84-D338 WeakPolarHBondContact CD1-OD1 3.21Å; Y84-D338 HydrophobicContact CD2-CB 4.3Å; Y84-D338 VanDerWaalsContact CE1-OD1 3.26Å; Y84-D338 WeakPolarHBondContact CE1-OD1 3.25Å; Y84-D338 HydrophobicContact CG-CB 3.8Å
85	S	67.7	Low	83	Confident	34 Å²	34	51.3 Å²	51.3	24%	0.238	28%	0.279	C	S	.	.			trans	-138.7	136.1	163.5	171.1	0	0	0	0	108.8	L87 F90 F91	S85-L87 PolarHBondContact O-N 2.93Å; S85-L87 PolarHBondContact OG-N 3.08Å; S85-L87 PolarHBondContact OG-O 2.98Å; S85-F90 WeakPolarHBondContact OG-CB 3.16Å; S85-F90 WeakPolarHBondContact OG-CG 3.42Å; S85-F91 VanDerWaalsContact CB-CE2 3.49Å
86	S	60.6	Low	82.8	Confident	61 Å²	61	59.7 Å²	59.7	43%	0.427	31%	0.311	S	S	.	.	S	Bend	trans	-72.6	-13	170.7	55	0	0	0	0	113.1
87	L	68.9	Low	82.7	Confident	83 Å²	83	62.4 Å²	62.4	44%	0.435	33%	0.333	S	S	.	.	S	Bend	trans	-107.6	115.8	-177.4	-64.6	174.7	0	0	0	109.9	S85 G89 F90	S85-L87 PolarHBondContact O-N 2.93Å; S85-L87 PolarHBondContact OG-N 3.08Å; S85-L87 PolarHBondContact OG-O 2.98Å; L87-G89 PolarHBondContact O-N 2.93Å; L87-F90 HydrophobicContact CB-CB 3.96Å; L87-F90 HydrophobicContact CD1-CD2 4.37Å; L87-F90 WeakPolarHBondContact O-CB 3.22Å; L87-F90 PolarHBondContact O-N 2.95Å
88	P	70.9	Confident	82.7	Confident	128 Å²	128	58 Å²	58	83%	0.831	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	135	174.4	-24.9	34.2	0	0	0	112	F90	P88-F90 PolarHBondContact O-N 2.87Å
89	G	79.5	Confident	82.7	Confident	29 Å²	29	62.6 Å²	62.6	30%	0.299	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	8.4	178.6	0	0	0	0	0	114.6	E80 L87 F91 S93	E80-G89 WeakPolarHBondContact OE1-CA 3.48Å; L87-G89 PolarHBondContact O-N 2.93Å; G89-F91 VanDerWaalsContact C-N 3.32Å; G89-F91 PolarHBondContact O-N 3.27Å; G89-S93 WeakPolarHBondContact O-CB 3.33Å; G89-S93 PolarHBondContact O-N 2.82Å; G89-S93 PolarHBondContact O-OG 2.79Å
90	F	83.6	Confident	82.9	Confident	64 Å²	64	62.3 Å²	62.3	28%	0.281	33%	0.332	S	S	.	.	H	α-helix	trans	-56.6	-45.4	176.2	170.4	-97.4	0	0	0	111.8	S85 L87 P88 S93 A94	S85-F90 WeakPolarHBondContact OG-CB 3.16Å; S85-F90 WeakPolarHBondContact OG-CG 3.42Å; L87-F90 HydrophobicContact CB-CB 3.96Å; L87-F90 HydrophobicContact CD1-CD2 4.37Å; L87-F90 WeakPolarHBondContact O-CB 3.22Å; L87-F90 PolarHBondContact O-N 2.95Å; P88-F90 PolarHBondContact O-N 2.87Å; F90-S93 PolarHBondContact O-N 2.81Å; F90-A94 WeakPolarHBondContact O-CB 3.34Å; F90-A94 PolarHBondContact O-N 3.2Å
91	F	86.3	Confident	83.3	Confident	6 Å²	6	59.3 Å²	59.3	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-73.4	-40.5	-175.1	-67	-62.8	0	0	0	111.9	F79 E80 M83 Y84 S85 G89 S93 A94 I95 H121	F79-F91 HydrophobicContact CB-CB 3.66Å; F79-F91 HydrophobicContact CB-CD1 4.31Å; F79-F91 HydrophobicContact CB-CD2 4.15Å; F79-F91 HydrophobicContact CB-CG 3.79Å; F79-F91 HydrophobicContact CD1-CB 4.17Å; F79-F91 AromaticContact CD1-CD1 3.5Å; F79-F91 HydrophobicContact CD1-CD1 3.5Å; F79-F91 AromaticContact CD1-CE1 3.98Å; F79-F91 HydrophobicContact CD1-CE1 3.98Å; F79-F91 AromaticContact CD1-CG 3.89Å; F79-F91 HydrophobicContact CD1-CG 3.89Å; F79-F91 HydrophobicContact CE1-CD1 4.32Å; F79-F91 HydrophobicContact CG-CB 4.33Å; F79-F91 HydrophobicContact CG-CD1 4.38Å; F79-F91 HydrophobicContact CG-CG 4.35Å; E80-F91 PolarHBondContact OE1-N 3.49Å; M83-F91 HydrophobicContact CB-CD2 4.47Å; M83-F91 HydrophobicContact CB-CE1 3.91Å; M83-F91 HydrophobicContact CB-CE2 3.67Å; M83-F91 HydrophobicContact CB-CZ 3.33Å; M83-F91 VanDerWaalsContact O-CE2 3.3Å; M83-F91 WeakPolarHBondContact O-CE2 3.39Å; Y84-F91 WeakPolarHBondContact O-CZ 3.45Å; S85-F91 VanDerWaalsContact CB-CE2 3.49Å; G89-F91 VanDerWaalsContact C-N 3.32Å; G89-F91 PolarHBondContact O-N 3.27Å; F91-S93 VanDerWaalsContact C-N 3.25Å; F91-S93 PolarHBondContact O-N 3.43Å; F91-A94 PolarHBondContact O-N 3.4Å; F91-A94 VanDerWaalsContact O-N 3.16Å; F91-I95 WeakPolarHBondContact O-CB 3.45Å; F91-I95 WeakPolarHBondContact O-CD1 3.27Å; F91-I95 WeakPolarHBondContact O-CG1 3.48Å; F91-I95 PolarHBondContact O-N 3.32Å; F91-H121 AromaticContact CE1-CE1 3.74Å
92	V	88.8	Confident	84	Confident	36 Å²	36	52.4 Å²	52.4	22%	0.218	29%	0.289	C	S	.	.	H	α-helix	trans	-55.4	-44.8	171.5	176.4	0	0	0	0	110.6	E80 I95 R96 P109	E80-V92 HydrophobicContact CG-CG2 4.42Å; V92-I95 PolarHBondContact O-N 3.43Å; V92-R96 WeakPolarHBondContact O-CG 3.31Å; V92-R96 PolarHBondContact O-N 2.91Å; V92-P109 HydrophobicContact CG1-CB 4.3Å; V92-P109 HydrophobicContact CG1-CG 3.85Å
93	S	87.9	Confident	84.5	Confident	76 Å²	76	52.9 Å²	52.9	53%	0.531	29%	0.293	S	S	.	.	H	α-helix	trans	-65.5	-41.6	176.7	-56.1	0	0	0	0	112.2	G89 F90 F91 R96 A97	G89-S93 WeakPolarHBondContact O-CB 3.33Å; G89-S93 PolarHBondContact O-N 2.82Å; G89-S93 PolarHBondContact O-OG 2.79Å; F90-S93 PolarHBondContact O-N 2.81Å; F91-S93 VanDerWaalsContact C-N 3.25Å; F91-S93 PolarHBondContact O-N 3.43Å; S93-R96 PolarHBondContact O-N 2.86Å; S93-A97 VanDerWaalsContact O-CB 3.32Å; S93-A97 WeakPolarHBondContact O-CB 3.26Å; S93-A97 PolarHBondContact O-N 2.72Å
94	A	89.1	Confident	85.1	Confident	3 Å²	3	53.2 Å²	53.2	3%	0.025	30%	0.297	C	S	.	.	H	α-helix	trans	-64.8	-39.7	177.4	0	0	0	0	0	112.5	F90 F91 A97 G98 R99 V100	F90-A94 WeakPolarHBondContact O-CB 3.34Å; F90-A94 PolarHBondContact O-N 3.2Å; F91-A94 PolarHBondContact O-N 3.4Å; F91-A94 VanDerWaalsContact O-N 3.16Å; A94-A97 PolarHBondContact O-N 2.71Å; A94-G98 PolarHBondContact O-N 2.93Å; A94-R99 HydrophobicContact CB-CB 4.35Å; A94-R99 WeakPolarHBondContact O-CB 3.26Å; A94-R99 PolarHBondContact O-N 3.37Å; A94-V100 HydrophobicContact CB-CG2 4.5Å
95	I	93.2	Very high	86.6	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-50.6	174.7	-66.4	160.4	0	0	0	109.8	L75 F91 V92 A97 G98 V100 V107 P109	L75-I95 HydrophobicContact CD2-CD1 4.03Å; L75-I95 HydrophobicContact CD2-CG1 4.11Å; L75-I95 HydrophobicContact CD2-CG2 4.18Å; L75-I95 HydrophobicContact CG-CD1 3.93Å; F91-I95 WeakPolarHBondContact O-CB 3.45Å; F91-I95 WeakPolarHBondContact O-CD1 3.27Å; F91-I95 WeakPolarHBondContact O-CG1 3.48Å; F91-I95 PolarHBondContact O-N 3.32Å; V92-I95 PolarHBondContact O-N 3.43Å; I95-A97 VanDerWaalsContact C-N 3.25Å; I95-A97 PolarHBondContact O-N 3.48Å; I95-G98 PolarHBondContact O-N 3.41Å; I95-V100 HydrophobicContact CB-CB 4.44Å; I95-V100 HydrophobicContact CG1-CB 3.74Å; I95-V100 HydrophobicContact CG1-CG1 4.25Å; I95-V100 HydrophobicContact CG1-CG2 3.73Å; I95-V107 WeakPolarHBondContact CG2-O 3.4Å; I95-P109 HydrophobicContact CB-CG 4.22Å; I95-P109 HydrophobicContact CD1-CB 4.41Å; I95-P109 HydrophobicContact CG2-CB 4.47Å; I95-P109 HydrophobicContact CG2-CG 3.94Å
96	R	93.2	Very high	88	Confident	176 Å²	176	59.4 Å²	59.4	66%	0.664	33%	0.332	S	S	*	.	H	α-helix	trans	-61.3	-32.6	178	-72.4	177.5	179.8	171.8	1.5	113.1	V92 S93 G98 P109	V92-R96 WeakPolarHBondContact O-CG 3.31Å; V92-R96 PolarHBondContact O-N 2.91Å; S93-R96 PolarHBondContact O-N 2.86Å; R96-G98 PolarHBondContact O-N 3.5Å; R96-P109 HydrophobicContact CG-CG 3.92Å
97	A	90.9	Very high	89.7	Confident	64 Å²	64	57.9 Å²	57.9	53%	0.529	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	1.5	174.1	0	0	0	0	0	113.9	S93 A94 I95 R99	S93-A97 VanDerWaalsContact O-CB 3.32Å; S93-A97 WeakPolarHBondContact O-CB 3.26Å; S93-A97 PolarHBondContact O-N 2.72Å; A94-A97 PolarHBondContact O-N 2.71Å; I95-A97 VanDerWaalsContact C-N 3.25Å; I95-A97 PolarHBondContact O-N 3.48Å; A97-R99 VanDerWaalsContact C-N 3.27Å; A97-R99 HydrophobicContact CB-CG 4.37Å; A97-R99 PolarHBondContact O-N 2.87Å
98	G	92	Very high	90.9	Very high	14 Å²	14	57.1 Å²	57.1	14%	0.144	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	11	-179.8	0	0	0	0	0	114.8	A94 I95 R96 V100	A94-G98 PolarHBondContact O-N 2.93Å; I95-G98 PolarHBondContact O-N 3.41Å; R96-G98 PolarHBondContact O-N 3.5Å; G98-V100 VanDerWaalsContact C-N 3.28Å; G98-V100 PolarHBondContact O-N 2.89Å
99	R	91.7	Very high	92.1	Very high	101 Å²	101	51.5 Å²	51.5	38%	0.381	28%	0.284	S	S	.	.			trans	-77.8	-14.8	177.7	-63.6	-177.6	-177.2	158.9	-0.5	113	A94 A97 M122	A94-R99 HydrophobicContact CB-CB 4.35Å; A94-R99 WeakPolarHBondContact O-CB 3.26Å; A94-R99 PolarHBondContact O-N 3.37Å; A97-R99 VanDerWaalsContact C-N 3.27Å; A97-R99 HydrophobicContact CB-CG 4.37Å; A97-R99 PolarHBondContact O-N 2.87Å; R99-M122 PolarHBondContact O-N 2.85Å
100	V	94.6	Very high	92.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.7	169.2	-174.7	0	0	0	0	108.3	L75 F79 A94 I95 G98 I119 R120 H121	L75-V100 HydrophobicContact CD2-CG1 4.01Å; F79-V100 HydrophobicContact CE1-CG1 4.29Å; F79-V100 HydrophobicContact CE1-CG2 4.03Å; F79-V100 HydrophobicContact CE2-CG1 4.18Å; F79-V100 HydrophobicContact CZ-CG1 3.7Å; F79-V100 HydrophobicContact CZ-CG2 4.28Å; A94-V100 HydrophobicContact CB-CG2 4.5Å; I95-V100 HydrophobicContact CB-CB 4.44Å; I95-V100 HydrophobicContact CG1-CB 3.74Å; I95-V100 HydrophobicContact CG1-CG1 4.25Å; I95-V100 HydrophobicContact CG1-CG2 3.73Å; G98-V100 VanDerWaalsContact C-N 3.28Å; G98-V100 PolarHBondContact O-N 2.89Å; V100-I119 HydrophobicContact CG1-CG2 4.09Å; V100-R120 CarbonylContact C-O 3.48Å; V100-R120 VanDerWaalsContact CA-O 3.32Å; V100-R120 WeakPolarHBondContact CA-O 3.45Å; V100-H121 HydrophobicContact CG2-CB 4.25Å
101	T	96.1	Very high	93.6	Very high	14 Å²	14	54.8 Å²	54.8	9%	0.086	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.3	176.3	57.8	0	0	0	0	110.1	Q105 T106 I119 R120	T101-Q105 CarbonylContact C-O 3.58Å; T101-Q105 WeakPolarHBondContact CA-O 3.28Å; T101-Q105 WeakPolarHBondContact CB-O 3.32Å; T101-T106 HydrophobicContact CG2-CG2 4.24Å; T101-I119 WeakPolarHBondContact O-CA 3.48Å; T101-R120 PolarHBondContact N-O 3.34Å; T101-R120 PolarHBondContact O-N 3.08Å
102	V	97.1	Very high	94.2	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.024	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122	172.2	-179.9	0	0	0	0	107.3	L75 D104 Q105 V107 Y111 D117 L118 I119	L75-V102 HydrophobicContact CD1-CG2 4.46Å; L75-V102 HydrophobicContact CD2-CG2 4.15Å; V102-D104 PolarHBondContact O-N 2.96Å; V102-Q105 PolarHBondContact N-O 3.16Å; V102-Q105 PolarHBondContact O-N 3.44Å; V102-V107 HydrophobicContact CB-CG1 4.11Å; V102-V107 HydrophobicContact CB-CG2 4.33Å; V102-V107 HydrophobicContact CG2-CG1 4.37Å; V102-V107 HydrophobicContact CG2-CG2 3.7Å; V102-Y111 HydrophobicContact CB-CE1 4.27Å; V102-Y111 HydrophobicContact CG1-CE1 3.8Å; V102-Y111 HydrophobicContact CG2-CD1 4.17Å; V102-Y111 HydrophobicContact CG2-CE1 4.08Å; V102-D117 HydrophobicContact CG1-CB 3.76Å; V102-L118 CarbonylContact C-O 3.57Å; V102-L118 WeakPolarHBondContact CA-O 3.42Å; V102-I119 HydrophobicContact CG2-CG1 4.38Å
103	N	95.7	Very high	94.6	Very high	76 Å²	76	58.7 Å²	58.7	41%	0.406	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	44.1	-175.1	-53.8	-45	0	0	0	112.3	Q105 D117 L118	N103-Q105 PolarHBondContact O-N 3.26Å; N103-D117 PolarHBondContact ND2-OD1 3.25Å; N103-L118 PolarHBondContact N-O 3.48Å; N103-L118 PolarHBondContact OD1-N 3.09Å
104	D	93.6	Very high	95	Very high	67 Å²	67	61 Å²	61	36%	0.358	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	18.7	-177.2	-53.4	-48.6	0	0	0	115.2	V102 R120	V102-D104 PolarHBondContact O-N 2.96Å; D104-R120 IonicContact OD1-NE 2.71Å; D104-R120 IonicContact OD1-NH2 2.68Å; D104-R120 PolarHBondContact OD1-NH2 2.82Å
105	Q	96.6	Very high	95.4	Very high	142 Å²	142	67 Å²	67	66%	0.664	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.6	172.9	-62	-174.2	-5.8	0	0	111.1	T101 V102 N103	T101-Q105 CarbonylContact C-O 3.58Å; T101-Q105 WeakPolarHBondContact CA-O 3.28Å; T101-Q105 WeakPolarHBondContact CB-O 3.32Å; V102-Q105 PolarHBondContact N-O 3.16Å; V102-Q105 PolarHBondContact O-N 3.44Å; N103-Q105 PolarHBondContact O-N 3.26Å
106	T	96.7	Very high	95.5	Very high	102 Å²	102	69 Å²	69	63%	0.626	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	134.4	171.2	52.8	0	0	0	0	109.6	T101	T101-T106 HydrophobicContact CG2-CG2 4.24Å
107	V	96.6	Very high	95.6	Very high	28 Å²	28	61.1 Å²	61.1	17%	0.17	33%	0.331	C	S	.	.			trans	-130.2	164.7	-179.4	-61.3	0	0	0	0	110.5	L75 I95 V102 Y111	L75-V107 HydrophobicContact CD2-CG2 3.44Å; L75-V107 VanDerWaalsContact CD2-CG2 3.44Å; I95-V107 WeakPolarHBondContact CG2-O 3.4Å; V102-V107 HydrophobicContact CB-CG1 4.11Å; V102-V107 HydrophobicContact CB-CG2 4.33Å; V102-V107 HydrophobicContact CG2-CG1 4.37Å; V102-V107 HydrophobicContact CG2-CG2 3.7Å; V107-Y111 HydrophobicContact CB-CD2 4.1Å; V107-Y111 HydrophobicContact CB-CG 4Å; V107-Y111 HydrophobicContact CG1-CD2 3.86Å; V107-Y111 HydrophobicContact CG1-CE2 4.26Å; V107-Y111 HydrophobicContact CG1-CG 4.15Å; V107-Y111 HydrophobicContact CG2-CD1 4.43Å; V107-Y111 HydrophobicContact CG2-CG 4.1Å
108	C	95.9	Very high	95.9	Very high	68 Å²	68	58.9 Å²	58.9	46%	0.459	31%	0.31	S	S	.	.			trans	-84.9	161.1	173.9	69	0	0	0	0	111.4	E110 Y111	C108-E110 VanDerWaalsContact CB-OE2 3.27Å; C108-E110 WeakPolarHBondContact CB-OE2 3.44Å; C108-E110 PolarHBondContact O-N 2.93Å; C108-E110 VanDerWaalsContact O-N 3.13Å; C108-E110 PolarHBondContact SG-OE2 2.79Å; C108-Y111 VanDerWaalsContact O-CB 3.25Å; C108-Y111 WeakPolarHBondContact O-CB 3.34Å; C108-Y111 PolarHBondContact O-N 3.28Å
109	P	95.1	Very high	96.1	Very high	9 Å²	9	58.3 Å²	58.3	6%	0.058	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.1	178.1	-24.6	33.9	0	0	0	114.4	L75 G76 V92 I95 R96 Y111	L75-P109 PolarHBondContact N-O 2.77Å; G76-P109 PolarHBondContact N-O 3.37Å; V92-P109 HydrophobicContact CG1-CB 4.3Å; V92-P109 HydrophobicContact CG1-CG 3.85Å; I95-P109 HydrophobicContact CB-CG 4.22Å; I95-P109 HydrophobicContact CD1-CB 4.41Å; I95-P109 HydrophobicContact CG2-CB 4.47Å; I95-P109 HydrophobicContact CG2-CG 3.94Å; R96-P109 HydrophobicContact CG-CG 3.92Å; P109-Y111 VanDerWaalsContact C-N 3.27Å; P109-Y111 PolarHBondContact O-N 2.83Å
110	E	96.9	Very high	96.2	Very high	113 Å²	113	55.2 Å²	55.2	53%	0.528	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.9	-178.9	-54.1	71.8	-153.3	0	0	112.8	C108 E112	C108-E110 VanDerWaalsContact CB-OE2 3.27Å; C108-E110 WeakPolarHBondContact CB-OE2 3.44Å; C108-E110 PolarHBondContact O-N 2.93Å; C108-E110 VanDerWaalsContact O-N 3.13Å; C108-E110 PolarHBondContact SG-OE2 2.79Å; E110-E112 PolarHBondContact O-N 3.25Å
111	Y	97.8	Very high	96.2	Very high	49 Å²	49	56.1 Å²	56.1	19%	0.192	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-56.3	122.2	176.3	176	-90	0	0	0	111	A74 L75 V102 V107 C108 P109 I113 D117	A74-Y111 CarbonylContact C-O 3.55Å; A74-Y111 WeakPolarHBondContact CA-O 3.33Å; L75-Y111 PolarHBondContact N-O 2.86Å; V102-Y111 HydrophobicContact CB-CE1 4.27Å; V102-Y111 HydrophobicContact CG1-CE1 3.8Å; V102-Y111 HydrophobicContact CG2-CD1 4.17Å; V102-Y111 HydrophobicContact CG2-CE1 4.08Å; V107-Y111 HydrophobicContact CB-CD2 4.1Å; V107-Y111 HydrophobicContact CB-CG 4Å; V107-Y111 HydrophobicContact CG1-CD2 3.86Å; V107-Y111 HydrophobicContact CG1-CE2 4.26Å; V107-Y111 HydrophobicContact CG1-CG 4.15Å; V107-Y111 HydrophobicContact CG2-CD1 4.43Å; V107-Y111 HydrophobicContact CG2-CG 4.1Å; C108-Y111 VanDerWaalsContact O-CB 3.25Å; C108-Y111 WeakPolarHBondContact O-CB 3.34Å; C108-Y111 PolarHBondContact O-N 3.28Å; P109-Y111 VanDerWaalsContact C-N 3.27Å; P109-Y111 PolarHBondContact O-N 2.83Å; Y111-I113 PolarHBondContact O-N 2.99Å; Y111-D117 VanDerWaalsContact CE1-OD2 3.29Å; Y111-D117 WeakPolarHBondContact CE1-OD2 3.4Å; Y111-D117 PolarHBondContact OH-OD1 2.71Å; Y111-D117 PolarHBondContact OH-OD2 3.42Å
112	E	97.9	Very high	95.9	Very high	124 Å²	124	55.9 Å²	55.9	58%	0.579	29%	0.294	S	S	*	.	B	Isolated β-bridge	trans	-77.4	119.1	175.1	-68.1	-178	179.4	0	0	110.7	K73 E110 K114	K73-E112 WeakPolarHBondContact O-CA 3.46Å; E110-E112 PolarHBondContact O-N 3.25Å; E112-K114 PolarHBondContact O-N 3.08Å
113	I	97.8	Very high	95.5	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-65.8	133	-179.1	-63.2	169.5	0	0	0	110.3	A66 W70 F71 G72 K73 L75 V78 Y111 I119	A66-I113 HydrophobicContact CB-CG2 3.45Å; A66-I113 VanDerWaalsContact CB-CG2 3.45Å; W70-I113 HydrophobicContact CB-CB 4.44Å; W70-I113 HydrophobicContact CB-CD1 3.94Å; W70-I113 HydrophobicContact CB-CG2 4.06Å; F71-I113 CarbonylContact C-O 3.52Å; F71-I113 VanDerWaalsContact CA-O 3.32Å; F71-I113 WeakPolarHBondContact CA-O 3.32Å; F71-I113 HydrophobicContact CD1-CG2 4.49Å; G72-I113 PolarHBondContact N-O 2.92Å; K73-I113 PolarHBondContact O-N 2.99Å; L75-I113 HydrophobicContact CB-CG1 4.41Å; L75-I113 HydrophobicContact CD1-CD1 3.85Å; L75-I113 HydrophobicContact CD1-CG1 3.97Å; V78-I113 HydrophobicContact CB-CD1 3.9Å; V78-I113 HydrophobicContact CG1-CD1 4Å; V78-I113 HydrophobicContact CG2-CD1 3.89Å; Y111-I113 PolarHBondContact O-N 2.99Å; I113-I119 HydrophobicContact CD1-CD1 4.03Å; I113-I119 HydrophobicContact CG1-CD1 4.36Å; I113-I119 HydrophobicContact CG2-CD1 4.36Å
114	K	97.5	Very high	95	Very high	123 Å²	123	54.7 Å²	54.7	54%	0.535	29%	0.288	S	S	.	.			trans	-111.5	158.3	-180	-62.2	170	-171.8	170.9	0	111.6	A66 E112 G116 D117	A66-K114 WeakPolarHBondContact CB-O 3.45Å; E112-K114 PolarHBondContact O-N 3.08Å; K114-G116 PolarHBondContact O-N 2.93Å; K114-D117 WeakPolarHBondContact CB-OD2 3.44Å; K114-D117 PolarHBondContact N-OD2 3.42Å; K114-D117 WeakPolarHBondContact O-CB 3.3Å; K114-D117 PolarHBondContact O-N 3.47Å
115	N	96.5	Very high	94.8	Very high	130 Å²	130	52.4 Å²	52.4	70%	0.695	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	133.1	171.6	-175	18.7	0	0	0	110.9	F71 D117	F71-N115 HydrophobicContact CD1-CB 4.49Å; F71-N115 HydrophobicContact CD2-CB 4.13Å; F71-N115 HydrophobicContact CE1-CB 4.04Å; F71-N115 HydrophobicContact CE2-CB 3.61Å; F71-N115 HydrophobicContact CZ-CB 3.58Å; F71-N115 VanDerWaalsContact CZ-OD1 3.28Å; F71-N115 WeakPolarHBondContact CZ-OD1 3.38Å; N115-D117 VanDerWaalsContact C-N 3.31Å
116	G	94.5	Very high	94.4	Very high	45 Å²	45	46.6 Å²	46.6	46%	0.464	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-5.2	-178.7	0	0	0	0	0	114.8	K114 L118	K114-G116 PolarHBondContact O-N 2.93Å; G116-L118 PolarHBondContact O-N 2.97Å
117	D	97.2	Very high	94.2	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.053	22%	0.222	C	C	.	.			trans	-60.9	130.6	175.5	-80.4	-12.1	0	0	0	110.9	F65 A66 V102 N103 Y111 K114 N115	F65-D117 CarbonylContact C-O 3.56Å; F65-D117 WeakPolarHBondContact CA-O 3.36Å; A66-D117 HydrophobicContact CB-CB 3.97Å; A66-D117 PolarHBondContact N-O 3.25Å; V102-D117 HydrophobicContact CG1-CB 3.76Å; N103-D117 PolarHBondContact ND2-OD1 3.25Å; Y111-D117 VanDerWaalsContact CE1-OD2 3.29Å; Y111-D117 WeakPolarHBondContact CE1-OD2 3.4Å; Y111-D117 PolarHBondContact OH-OD1 2.71Å; Y111-D117 PolarHBondContact OH-OD2 3.42Å; K114-D117 WeakPolarHBondContact CB-OD2 3.44Å; K114-D117 PolarHBondContact N-OD2 3.42Å; K114-D117 WeakPolarHBondContact O-CB 3.3Å; K114-D117 PolarHBondContact O-N 3.47Å; N115-D117 VanDerWaalsContact C-N 3.31Å
118	L	96.3	Very high	94	Very high	16 Å²	16	43 Å²	43	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	115.1	167.6	174.8	61.4	0	0	0	109.1	I35 C63 F65 V102 N103 G116	I35-L118 HydrophobicContact CD1-CD1 4.27Å; I35-L118 HydrophobicContact CD1-CD2 3.66Å; I35-L118 HydrophobicContact CG1-CD2 4.18Å; I35-L118 HydrophobicContact CG2-CD1 3.64Å; I35-L118 HydrophobicContact CG2-CD2 4.12Å; C63-L118 HydrophobicContact CB-CD1 4.48Å; F65-L118 HydrophobicContact CD1-CB 4.3Å; F65-L118 HydrophobicContact CD1-CD1 4.42Å; F65-L118 HydrophobicContact CE1-CB 4.12Å; F65-L118 HydrophobicContact CE1-CD1 4.4Å; V102-L118 CarbonylContact C-O 3.57Å; V102-L118 WeakPolarHBondContact CA-O 3.42Å; N103-L118 PolarHBondContact N-O 3.48Å; N103-L118 PolarHBondContact OD1-N 3.09Å; G116-L118 PolarHBondContact O-N 2.97Å
119	I	95.5	Very high	93.9	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125	177.5	-56.5	175.5	0	0	0	108.4	C63 V64 W70 L75 F79 V100 T101 V102 I113	C63-I119 WeakPolarHBondContact CA-O 3.33Å; V64-I119 HydrophobicContact CG1-CB 4.22Å; V64-I119 PolarHBondContact N-O 2.84Å; V64-I119 PolarHBondContact O-N 2.94Å; W70-I119 HydrophobicContact CE3-CD1 4.11Å; W70-I119 HydrophobicContact CZ3-CD1 4.18Å; L75-I119 HydrophobicContact CD1-CD1 4.07Å; L75-I119 HydrophobicContact CD1-CG2 4.46Å; F79-I119 HydrophobicContact CE2-CG2 3.74Å; F79-I119 HydrophobicContact CZ-CG2 3.6Å; V100-I119 HydrophobicContact CG1-CG2 4.09Å; T101-I119 WeakPolarHBondContact O-CA 3.48Å; V102-I119 HydrophobicContact CG2-CG1 4.38Å; I113-I119 HydrophobicContact CD1-CD1 4.03Å; I113-I119 HydrophobicContact CG1-CD1 4.36Å; I113-I119 HydrophobicContact CG2-CD1 4.36Å
120	R	95.2	Very high	94	Very high	36 Å²	36	39.8 Å²	39.8	14%	0.136	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.5	174.4	-176.2	-169.7	-54.2	-90.4	2.1	109.7	H61 F62 C63 V100 T101 D104	H61-R120 HydrophobicContact CB-CG 4.35Å; H61-R120 WeakPolarHBondContact ND1-CD 3.4Å; F62-R120 CarbonylContact O-C 3.34Å; F62-R120 VanDerWaalsContact O-CA 3.27Å; F62-R120 WeakPolarHBondContact O-CA 3.33Å; C63-R120 PolarHBondContact SG-NH1 2.97Å; V100-R120 CarbonylContact C-O 3.48Å; V100-R120 VanDerWaalsContact CA-O 3.32Å; V100-R120 WeakPolarHBondContact CA-O 3.45Å; T101-R120 PolarHBondContact N-O 3.34Å; T101-R120 PolarHBondContact O-N 3.08Å; D104-R120 IonicContact OD1-NE 2.71Å; D104-R120 IonicContact OD1-NH2 2.68Å; D104-R120 PolarHBondContact OD1-NH2 2.82Å
121	H	92.9	Very high	94	Very high	19 Å²	19	34.8 Å²	34.8	9%	0.088	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.3	174.5	174.7	-147	0	0	0	109.3	F62 F79 F91 V100	F62-H121 HydrophobicContact CB-CB 4.4Å; F62-H121 PolarHBondContact N-O 2.97Å; F62-H121 PolarHBondContact O-N 2.82Å; F79-H121 HydrophobicContact CE1-CB 4.01Å; F79-H121 HydrophobicContact CZ-CB 4.31Å; F91-H121 AromaticContact CE1-CE1 3.74Å; V100-H121 HydrophobicContact CG2-CB 4.25Å
122	M	91.3	Very high	93.9	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.039	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.2	173.3	-172.2	-164.8	-76.6	0	0	109.4	P17 P18 W59 F60 H61 R99	P17-M122 HydrophobicContact CB-CE 4.28Å; P17-M122 HydrophobicContact CB-SD 3.47Å; P17-M122 WeakPolarHBondContact CB-SD 3.39Å; P17-M122 HydrophobicContact CG-SD 3.51Å; P17-M122 VanDerWaalsContact CG-SD 3.51Å; P18-M122 VanDerWaalsContact O-CE 3.29Å; P18-M122 WeakPolarHBondContact O-CE 3.41Å; W59-M122 HydrophobicContact CE3-CG 3.89Å; W59-M122 HydrophobicContact CE3-SD 4.03Å; W59-M122 HydrophobicContact CZ3-CG 4.34Å; W59-M122 HydrophobicContact CZ3-SD 4.33Å; F60-M122 WeakPolarHBondContact O-CA 3.49Å; H61-M122 WeakPolarHBondContact CE1-CE 3.46Å; R99-M122 PolarHBondContact O-N 2.85Å
123	C	87.7	Confident	93.7	Very high	22 Å²	22	34.7 Å²	34.7	15%	0.149	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	164.1	173.9	71.7	0	0	0	0	111.3	F60 F62	F60-C123 PolarHBondContact N-O 2.88Å; F60-C123 PolarHBondContact O-N 2.66Å; F62-C123 WeakPolarHBondContact CE2-SG 3.35Å
124	H	86.5	Confident	93.5	Very high	33 Å²	33	42 Å²	42	15%	0.153	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	132.4	173	-164.1	-133.4	0	0	0	110.2	P57 Y58 W59 H126 C355	P57-H124 VanDerWaalsContact C-NE2 3.3Å; P57-H124 WeakPolarHBondContact CB-CE1 3.29Å; P57-H124 WeakPolarHBondContact CB-NE2 3.29Å; Y58-H124 VanDerWaalsContact C-CD2 3.48Å; Y58-H124 PolarHBondContact N-NE2 3.13Å; Y58-H124 PolarHBondContact O-CD2 2.77Å; Y58-H124 VanDerWaalsContact O-CD2 3.3Å; W59-H124 HydrophobicContact CZ3-CB 4.5Å; H124-H126 AromaticContact CE1-CE1 3.58Å; H124-H126 AromaticContact CE1-NE2 3.56Å; H124-H126 AromaticContact CG-NE2 3.87Å; H124-H126 AromaticContact ND1-CD2 3.82Å; H124-H126 AromaticContact ND1-CE1 3.38Å; H124-H126 PolarHBondContact ND1-CE1 3Å; H124-H126 AromaticContact ND1-NE2 2.87Å; H124-H126 PolarHBondContact ND1-NE2 3.04Å; H124-C355 PolarHBondContact CE1-SG 3.34Å; H124-C355 PolarHBondContact ND1-SG 3.09Å
125	R	88.3	Confident	93.5	Very high	19 Å²	19	36.3 Å²	36.3	7%	0.072	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.2	-175.4	-173.3	165.1	-179.8	141.5	8.7	110.7	P57 Y58 F60 G159 R160 Y161	P57-R125 WeakPolarHBondContact CA-O 3.42Å; Y58-R125 HydrophobicContact CE2-CB 4.19Å; Y58-R125 HydrophobicContact CE2-CG 4.47Å; Y58-R125 PolarHBondContact N-O 2.82Å; Y58-R125 PolarHBondContact O-N 2.84Å; Y58-R125 WeakPolarHBondContact OH-CD 3.44Å; F60-R125 HydrophobicContact CB-CB 3.81Å; F60-R125 VanDerWaalsContact CE1-NH1 3.3Å; F60-R125 HydrophobicContact CG-CB 4.48Å; R125-G159 PolarHBondContact NH2-O 2.91Å; R125-R160 PolarHBondContact NH2-O 3.15Å; R125-Y161 PolarHBondContact NH2-O 3.14Å
126	H	89.2	Confident	93.5	Very high	21 Å²	21	33.6 Å²	33.6	10%	0.097	18%	0.175	C	C	.	.			trans	-114.9	108.2	173.8	-63.5	-90.9	0	0	0	108.3	P57 H124 C355 C358 F362	P57-H126 VanDerWaalsContact CG-CE1 3.48Å; P57-H126 WeakPolarHBondContact CG-CE1 3.25Å; P57-H126 WeakPolarHBondContact CG-ND1 3.48Å; H124-H126 AromaticContact CE1-CE1 3.58Å; H124-H126 AromaticContact CE1-NE2 3.56Å; H124-H126 AromaticContact CG-NE2 3.87Å; H124-H126 AromaticContact ND1-CD2 3.82Å; H124-H126 AromaticContact ND1-CE1 3.38Å; H124-H126 PolarHBondContact ND1-CE1 3Å; H124-H126 AromaticContact ND1-NE2 2.87Å; H124-H126 PolarHBondContact ND1-NE2 3.04Å; H126-C355 VanDerWaalsContact CE1-CB 3.4Å; H126-C355 WeakPolarHBondContact CE1-CB 3.49Å; H126-C355 VanDerWaalsContact CE1-SG 3.5Å; H126-C358 PolarHBondContact NE2-SG 2.78Å; H126-F362 HydrophobicContact CB-CD2 3.78Å; H126-F362 HydrophobicContact CB-CE2 3.44Å; H126-F362 VanDerWaalsContact CB-CE2 3.44Å; H126-F362 HydrophobicContact CB-CZ 4.17Å; H126-F362 AromaticContact CD2-CE2 3.7Å; H126-F362 AromaticContact CG-CD2 3.91Å; H126-F362 AromaticContact CG-CE2 3.33Å; H126-F362 AromaticContact ND1-CE2 3.79Å
127	E	92.7	Very high	93.7	Very high	17 Å²	17	34.3 Å²	34.3	8%	0.079	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-77.6	145.8	175.3	-57.5	-159.8	-148.8	0	0	110.7	Y58 R160 Y162 F163 N164	Y58-E127 HydrophobicContact CE1-CG 4.1Å; Y58-E127 WeakPolarHBondContact CE1-OE1 3.48Å; Y58-E127 PolarHBondContact OH-OE1 3.01Å; E127-R160 WeakPolarHBondContact CA-O 3.38Å; E127-R160 WeakPolarHBondContact CG-O 3.19Å; E127-Y162 VanDerWaalsContact CD-N 3.32Å; E127-Y162 PolarHBondContact OE2-N 3.21Å; E127-F163 VanDerWaalsContact CD-N 3.3Å; E127-F163 VanDerWaalsContact OE1-CB 3.29Å; E127-F163 WeakPolarHBondContact OE1-CB 3.47Å; E127-F163 WeakPolarHBondContact OE1-CD2 3.15Å; E127-F163 PolarHBondContact OE1-N 2.76Å; E127-F163 PolarHBondContact OE2-N 2.97Å; E127-N164 WeakPolarHBondContact OE2-CB 3.44Å; E127-N164 PolarHBondContact OE2-N 2.84Å
128	L	91.5	Very high	93.7	Very high	36 Å²	36	36.8 Å²	36.8	19%	0.188	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-69.9	140.2	170.7	-69	174.6	0	0	0	109.6	R160 Y161 N164	L128-R160 HydrophobicContact CG-CB 4.24Å; L128-Y161 HydrophobicContact CB-CD1 4.45Å; L128-Y161 HydrophobicContact CB-CE1 3.61Å; L128-Y161 HydrophobicContact CB-CE2 4.49Å; L128-Y161 HydrophobicContact CD1-CE2 4.16Å; L128-Y161 WeakPolarHBondContact O-CE1 3.38Å; L128-N164 PolarHBondContact O-ND2 2.83Å
129	P	94.4	Very high	93.7	Very high	10 Å²	10	39.5 Å²	39.5	7%	0.065	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-58.8	152.6	172.8	-23.2	33.6	0	0	0	112.3	L52 K54 P365	L52-P129 HydrophobicContact CB-CB 3.99Å; L52-P129 HydrophobicContact CD1-CB 3.92Å; L52-P129 HydrophobicContact CD1-CG 4.48Å; L52-P129 HydrophobicContact CG-CB 4.39Å; K54-P129 HydrophobicContact CD-CG 4.36Å; K54-P129 HydrophobicContact CG-CB 4.07Å; K54-P129 HydrophobicContact CG-CG 4.11Å; P129-P365 HydrophobicContact CB-CG 4.29Å
130	V	96.4	Very high	93.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	164.9	173.6	-61.9	0	0	0	0	108.7	L52 R53 D132 S152 L153 Y161 N164	L52-V130 CarbonylContact C-O 3.45Å; L52-V130 WeakPolarHBondContact CA-O 3.35Å; R53-V130 HydrophobicContact CB-CG2 3.87Å; R53-V130 HydrophobicContact CG-CG2 4.18Å; R53-V130 PolarHBondContact N-O 3.07Å; R53-V130 PolarHBondContact O-N 3.38Å; R53-V130 VanDerWaalsContact O-N 3.13Å; V130-D132 PolarHBondContact O-N 3.22Å; V130-S152 WeakPolarHBondContact CB-OG 3.42Å; V130-L153 HydrophobicContact CB-CD2 3.92Å; V130-L153 HydrophobicContact CG1-CD2 4.02Å; V130-L153 HydrophobicContact CG2-CD2 3.69Å; V130-Y161 HydrophobicContact CG1-CD1 4.06Å; V130-Y161 HydrophobicContact CG1-CE1 3.7Å; V130-N164 HydrophobicContact CG1-CB 3.86Å; V130-N164 HydrophobicContact CG2-CB 4.15Å
131	L	96.5	Very high	93.9	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	138.5	176.6	-64.4	169.6	0	0	0	109.6	L52 R133 C151 S152 V367 L370 E371	L52-L131 HydrophobicContact CD2-CD2 4.42Å; L131-R133 HydrophobicContact CB-CG 4.19Å; L131-R133 PolarHBondContact O-N 3.21Å; L131-C151 HydrophobicContact CD1-CB 4.06Å; L131-S152 PolarHBondContact N-OG 3.42Å; L131-V367 HydrophobicContact CD2-CB 4.44Å; L131-V367 HydrophobicContact CD2-CG1 4.02Å; L131-V367 HydrophobicContact CD2-CG2 4.32Å; L131-L370 HydrophobicContact CD1-CB 4.06Å; L131-L370 HydrophobicContact CD2-CB 3.88Å; L131-L370 HydrophobicContact CD2-CD1 3.87Å; L131-L370 HydrophobicContact CG-CB 3.74Å; L131-L370 HydrophobicContact CG-CD1 3.95Å; L131-E371 HydrophobicContact CD1-CG 3.71Å
132	D	95.4	Very high	94	Very high	65 Å²	65	50.3 Å²	50.3	35%	0.348	26%	0.255	S	S	.	.			trans	-77.9	72.9	170.2	-170.9	33.8	0	0	0	110.9	I48 G51 R53 V130	I48-D132 HydrophobicContact CD1-CB 3.96Å; I48-D132 WeakPolarHBondContact CD1-OD1 3.26Å; I48-D132 WeakPolarHBondContact CD1-OD2 3.31Å; I48-D132 WeakPolarHBondContact CG1-OD2 3.47Å; I48-D132 HydrophobicContact CG2-CB 4.13Å; G51-D132 PolarHBondContact O-N 2.91Å; R53-D132 HydrophobicContact CB-CB 4.34Å; R53-D132 IonicContact CZ-OD1 3.72Å; R53-D132 IonicContact NE-OD1 3.61Å; R53-D132 IonicContact NH2-OD1 3.46Å; R53-D132 PolarHBondContact NH2-OD1 2.91Å; V130-D132 PolarHBondContact O-N 3.22Å
133	R	94.8	Very high	94.2	Very high	106 Å²	106	53.2 Å²	53.2	40%	0.4	27%	0.271	S	S	.	.			trans	-120.2	133.9	174.8	-69.6	-176.2	-179	167.9	6.1	109.8	L131 P150 E371	L131-R133 HydrophobicContact CB-CG 4.19Å; L131-R133 PolarHBondContact O-N 3.21Å; R133-P150 HydrophobicContact CB-CB 3.68Å; R133-P150 HydrophobicContact CB-CG 4.15Å; R133-E371 IonicContact CZ-OE1 3.36Å; R133-E371 IonicContact NH1-OE1 3.43Å; R133-E371 PolarHBondContact NH1-OE1 2.91Å; R133-E371 IonicContact NH2-OE1 3.18Å; R133-E371 PolarHBondContact NH2-OE1 2.62Å; R133-E371 IonicContact NH2-OE2 3.64Å
134	Q	93.4	Very high	94.6	Very high	155 Å²	155	52.6 Å²	52.6	72%	0.724	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-69.4	142.8	178.7	-168.8	173.7	28.1	0	0	110.7
135	V	96.9	Very high	95.1	Very high	4 Å²	4	51 Å²	51	2%	0.024	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-79.7	121.9	167.7	179.8	0	0	0	0	108	V147 P150 L153 L166 I169 L170 F174	V135-V147 HydrophobicContact CG1-CB 3.82Å; V135-V147 HydrophobicContact CG1-CG1 4.14Å; V135-V147 HydrophobicContact CG1-CG2 4.19Å; V135-P150 HydrophobicContact CG2-CG 4.38Å; V135-L153 HydrophobicContact CG2-CD1 4.02Å; V135-L166 HydrophobicContact CB-CD1 4.35Å; V135-L166 HydrophobicContact CG1-CD1 3.76Å; V135-L166 HydrophobicContact CG2-CD1 3.62Å; V135-I169 HydrophobicContact CG2-CG2 4.18Å; V135-L170 HydrophobicContact CG1-CD2 4.07Å; V135-F174 HydrophobicContact CB-CE2 4.44Å
136	T	97.2	Very high	95.6	Very high	73 Å²	73	50.1 Å²	50.1	45%	0.448	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.6	178.6	-55.2	0	0	0	0	109.8	V147 D148	T136-V147 CarbonylContact O-C 3.59Å; T136-V147 VanDerWaalsContact O-CA 3.23Å; T136-V147 WeakPolarHBondContact O-CA 3.47Å; T136-V147 WeakPolarHBondContact O-CB 3.45Å; T136-D148 PolarHBondContact N-O 2.61Å; T136-D148 PolarHBondContact O-N 3.15Å
137	I	98	Very high	96	Very high	60 Å²	60	49.1 Å²	49.1	31%	0.308	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.3	172.1	-61.3	172.7	0	0	0	108	N140 L145 V147 F174 F176	I137-N140 HydrophobicContact CG2-CB 3.94Å; I137-L145 HydrophobicContact CG1-CD1 4.4Å; I137-L145 HydrophobicContact CG2-CD1 3.86Å; I137-V147 HydrophobicContact CG1-CG1 4.45Å; I137-F174 HydrophobicContact CD1-CD1 3.75Å; I137-F174 HydrophobicContact CD1-CE1 3.94Å; I137-F174 HydrophobicContact CG1-CE1 4.38Å; I137-F176 HydrophobicContact CD1-CE2 3.75Å; I137-F176 HydrophobicContact CD1-CZ 4.12Å
138	I	97.7	Very high	96.3	Very high	61 Å²	61	49.8 Å²	49.8	31%	0.313	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-47.2	176.5	-63.2	171.2	0	0	0	109.5	V146 D148 C388	I138-V146 HydrophobicContact CB-CB 4.18Å; I138-V146 HydrophobicContact CB-CG1 4.07Å; I138-V146 HydrophobicContact CD1-CG1 4.13Å; I138-V146 HydrophobicContact CG2-CG1 4.37Å; I138-V146 PolarHBondContact N-O 2.76Å; I138-D148 HydrophobicContact CD1-CB 4.08Å; I138-D148 HydrophobicContact CG1-CB 4.36Å; I138-C388 HydrophobicContact CD1-CB 4.5Å; I138-C388 WeakPolarHBondContact CD1-SG 3.39Å
139	E	97.2	Very high	96.6	Very high	74 Å²	74	48.1 Å²	48.1	35%	0.346	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	141.9	-178.5	-170	173	143	0	0	110.3	T141 L144 L145 V146 F386	E139-T141 HydrophobicContact CG-CG2 4Å; E139-T141 WeakPolarHBondContact OE1-CG2 3.28Å; E139-L144 HydrophobicContact CG-CD1 4.41Å; E139-L145 CarbonylContact O-C 3.58Å; E139-L145 WeakPolarHBondContact O-CA 3.28Å; E139-V146 HydrophobicContact CB-CB 4.03Å; E139-V146 HydrophobicContact CB-CG2 3.99Å; E139-V146 PolarHBondContact N-O 2.76Å; E139-V146 PolarHBondContact O-N 3Å; E139-F386 WeakPolarHBondContact OE2-CE1 3.42Å
140	N	97.4	Very high	96.7	Very high	84 Å²	84	48.3 Å²	48.3	45%	0.449	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	99.4	-178.1	-178.7	31.1	0	0	0	109.1	I137 L145 K197	I137-N140 HydrophobicContact CG2-CB 3.94Å; N140-L145 HydrophobicContact CB-CD1 4.03Å; N140-K197 PolarHBondContact OD1-NZ 2.74Å
141	T	96.4	Very high	96.7	Very high	47 Å²	47	48.7 Å²	48.7	29%	0.288	25%	0.25	S	C	.	.			trans	-112.2	177.5	177.6	67.5	0	0	0	0	110.2	E139 D143 L144 K197	E139-T141 HydrophobicContact CG-CG2 4Å; E139-T141 WeakPolarHBondContact OE1-CG2 3.28Å; T141-D143 PolarHBondContact O-N 2.83Å; T141-D143 PolarHBondContact OG1-N 3.2Å; T141-L144 HydrophobicContact CG2-CD1 4.39Å; T141-L144 PolarHBondContact N-O 2.87Å; T141-L144 WeakPolarHBondContact OG1-CG 3.43Å; T141-L144 PolarHBondContact OG1-N 3.04Å; T141-L144 VanDerWaalsContact OG1-N 3.09Å; T141-L144 PolarHBondContact OG1-O 2.74Å; T141-K197 WeakPolarHBondContact O-CD 3.48Å; T141-K197 WeakPolarHBondContact O-CE 3.22Å; T141-K197 PolarHBondContact O-NZ 2.84Å
142	D	95	Very high	96.7	Very high	154 Å²	154	48.3 Å²	48.3	82%	0.824	25%	0.248	S	C	*	.	S	Bend	trans	-63.5	-23.4	172.1	-65.7	-25.1	0	0	0	112.2
143	D	95.4	Very high	96.7	Very high	69 Å²	69	45.4 Å²	45.4	37%	0.369	23%	0.232	S	C	.	.	S	Bend	trans	-96.9	-36.3	-169.9	-83.5	-35.2	0	0	0	113.8	T141 K197 N198 M201	T141-D143 PolarHBondContact O-N 2.83Å; T141-D143 PolarHBondContact OG1-N 3.2Å; D143-K197 PolarHBondContact O-N 2.88Å; D143-N198 WeakPolarHBondContact CA-ND2 3.28Å; D143-N198 PolarHBondContact OD1-ND2 3.07Å; D143-M201 HydrophobicContact CB-CE 4.16Å; D143-M201 HydrophobicContact CB-CG 3.67Å; D143-M201 HydrophobicContact CB-SD 4.17Å
144	L	96.6	Very high	96.8	Very high	9 Å²	9	40.7 Å²	40.7	5%	0.047	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	164.2	-172.7	57.6	75.1	0	0	0	112.5	E139 T141 V146 F195 L196 K197 M201 F205 F386	E139-L144 HydrophobicContact CG-CD1 4.41Å; T141-L144 HydrophobicContact CG2-CD1 4.39Å; T141-L144 PolarHBondContact N-O 2.87Å; T141-L144 WeakPolarHBondContact OG1-CG 3.43Å; T141-L144 PolarHBondContact OG1-N 3.04Å; T141-L144 VanDerWaalsContact OG1-N 3.09Å; T141-L144 PolarHBondContact OG1-O 2.74Å; L144-V146 HydrophobicContact CD1-CG2 3.74Å; L144-F195 CarbonylContact C-O 3.38Å; L144-F195 VanDerWaalsContact CA-O 3.26Å; L144-F195 WeakPolarHBondContact CA-O 3.29Å; L144-F195 WeakPolarHBondContact CB-O 3.32Å; L144-L196 HydrophobicContact CB-CD2 4.41Å; L144-K197 WeakPolarHBondContact O-CE 3.37Å; L144-M201 HydrophobicContact CD2-CE 3.9Å; L144-F205 HydrophobicContact CD2-CZ 4.26Å; L144-F386 HydrophobicContact CD1-CE1 4.49Å; L144-F386 HydrophobicContact CD1-CZ 4.13Å; L144-F386 HydrophobicContact CD2-CE2 4.19Å; L144-F386 HydrophobicContact CD2-CZ 3.69Å
145	L	97.9	Very high	97	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.3	171.7	175.1	74	0	0	0	107.5	I137 E139 N140 V147 L170 F176 L179 F195	I137-L145 HydrophobicContact CG1-CD1 4.4Å; I137-L145 HydrophobicContact CG2-CD1 3.86Å; E139-L145 CarbonylContact O-C 3.58Å; E139-L145 WeakPolarHBondContact O-CA 3.28Å; N140-L145 HydrophobicContact CB-CD1 4.03Å; L145-V147 HydrophobicContact CD1-CG1 4.34Å; L145-V147 HydrophobicContact CD2-CG1 4.06Å; L145-V147 HydrophobicContact CG-CG1 3.92Å; L145-L170 HydrophobicContact CD2-CD1 4.13Å; L145-L170 HydrophobicContact CD2-CD2 4.29Å; L145-F176 HydrophobicContact CD1-CD2 4.42Å; L145-F176 HydrophobicContact CD1-CE1 4.24Å; L145-F176 HydrophobicContact CD1-CE2 3.79Å; L145-F176 HydrophobicContact CD1-CZ 3.69Å; L145-F176 HydrophobicContact CD2-CB 4.4Å; L145-F176 HydrophobicContact CD2-CD1 4.31Å; L145-F176 HydrophobicContact CD2-CD2 3.55Å; L145-F176 HydrophobicContact CD2-CE1 4.5Å; L145-F176 HydrophobicContact CD2-CE2 3.77Å; L145-F176 HydrophobicContact CD2-CG 3.85Å; L145-F176 HydrophobicContact CD2-CZ 4.25Å; L145-F176 HydrophobicContact CG-CE2 4.45Å; L145-L179 HydrophobicContact CB-CD2 4.36Å; L145-L179 HydrophobicContact CD2-CD1 3.75Å; L145-L179 HydrophobicContact CD2-CD2 4.19Å; L145-F195 HydrophobicContact CB-CB 4.27Å; L145-F195 PolarHBondContact N-O 3Å; L145-F195 PolarHBondContact O-N 3.43Å
146	V	97.9	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.4	174.2	-169.6	0	0	0	0	108.6	I138 E139 L144 V192 V193 V194 F386	I138-V146 HydrophobicContact CB-CB 4.18Å; I138-V146 HydrophobicContact CB-CG1 4.07Å; I138-V146 HydrophobicContact CD1-CG1 4.13Å; I138-V146 HydrophobicContact CG2-CG1 4.37Å; I138-V146 PolarHBondContact N-O 2.76Å; E139-V146 HydrophobicContact CB-CB 4.03Å; E139-V146 HydrophobicContact CB-CG2 3.99Å; E139-V146 PolarHBondContact N-O 2.76Å; E139-V146 PolarHBondContact O-N 3Å; L144-V146 HydrophobicContact CD1-CG2 3.74Å; V146-V192 HydrophobicContact CG1-CG1 3.91Å; V146-V193 WeakPolarHBondContact CA-O 3.5Å; V146-V194 HydrophobicContact CG1-CG2 4.29Å; V146-V194 HydrophobicContact CG2-CG1 4.45Å; V146-V194 HydrophobicContact CG2-CG2 4.24Å; V146-F386 HydrophobicContact CG1-CB 3.89Å; V146-F386 HydrophobicContact CG1-CG 4.09Å; V146-F386 HydrophobicContact CG2-CB 4.49Å; V146-F386 HydrophobicContact CG2-CD1 3.75Å; V146-F386 HydrophobicContact CG2-CD2 3.93Å; V146-F386 HydrophobicContact CG2-CE1 3.86Å; V146-F386 HydrophobicContact CG2-CE2 4.03Å; V146-F386 HydrophobicContact CG2-CG 3.79Å; V146-F386 HydrophobicContact CG2-CZ 4Å
147	V	98.2	Very high	96.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.5	179.4	-56.7	0	0	0	0	111.4	V135 T136 I137 L145 L166 L170 V193 F195	V135-V147 HydrophobicContact CG1-CB 3.82Å; V135-V147 HydrophobicContact CG1-CG1 4.14Å; V135-V147 HydrophobicContact CG1-CG2 4.19Å; T136-V147 CarbonylContact O-C 3.59Å; T136-V147 VanDerWaalsContact O-CA 3.23Å; T136-V147 WeakPolarHBondContact O-CA 3.47Å; T136-V147 WeakPolarHBondContact O-CB 3.45Å; I137-V147 HydrophobicContact CG1-CG1 4.45Å; L145-V147 HydrophobicContact CD1-CG1 4.34Å; L145-V147 HydrophobicContact CD2-CG1 4.06Å; L145-V147 HydrophobicContact CG-CG1 3.92Å; V147-L166 HydrophobicContact CG2-CD1 4.44Å; V147-L166 HydrophobicContact CG2-CD2 4.06Å; V147-L170 HydrophobicContact CG1-CD1 4.41Å; V147-L170 HydrophobicContact CG1-CD2 4.15Å; V147-V193 HydrophobicContact CG2-CB 3.94Å; V147-V193 PolarHBondContact N-O 3.32Å; V147-V193 PolarHBondContact O-N 2.88Å; V147-F195 HydrophobicContact CG2-CD2 4.27Å; V147-F195 HydrophobicContact CG2-CE2 3.89Å
148	D	98	Very high	96.3	Very high	31 Å²	31	34.7 Å²	34.7	17%	0.166	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	107.2	161.2	-174.5	11.6	0	0	0	108.4	T136 I138 P150 G191 H375 C388	T136-D148 PolarHBondContact N-O 2.61Å; T136-D148 PolarHBondContact O-N 3.15Å; I138-D148 HydrophobicContact CD1-CB 4.08Å; I138-D148 HydrophobicContact CG1-CB 4.36Å; D148-P150 WeakPolarHBondContact O-CD 3.38Å; D148-G191 WeakPolarHBondContact OD1-CA 3.34Å; D148-G191 PolarHBondContact OD1-N 2.68Å; D148-H375 IonicContact OD1-CE1 3.01Å; D148-C388 VanDerWaalsContact CB-SG 3.54Å; D148-C388 PolarHBondContact OD1-SG 3.49Å
149	K	97.9	Very high	95.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122.3	178.3	-171.2	-169	76.4	66.5	0	109	L153 I155 L166 L185 R187 T189 S190 G191 V193	K149-L153 HydrophobicContact CD-CB 4.45Å; K149-L153 WeakPolarHBondContact CE-O 3.05Å; K149-L153 HydrophobicContact CG-CB 4.41Å; K149-L153 PolarHBondContact NZ-O 2.99Å; K149-I155 HydrophobicContact CD-CD1 3.79Å; K149-L166 HydrophobicContact CB-CD2 4.11Å; K149-L166 HydrophobicContact CD-CD2 3.84Å; K149-L166 HydrophobicContact CG-CD1 4.31Å; K149-L166 HydrophobicContact CG-CD2 3.77Å; K149-L185 HydrophobicContact CD-CD2 4.5Å; K149-R187 PolarHBondContact NZ-O 2.98Å; K149-R187 VanDerWaalsContact NZ-O 3.08Å; K149-T189 WeakPolarHBondContact CE-O 3.24Å; K149-T189 PolarHBondContact NZ-O 3.18Å; K149-S190 CarbonylContact O-C 3.53Å; K149-S190 WeakPolarHBondContact O-CA 3.48Å; K149-S190 WeakPolarHBondContact O-CB 3.42Å; K149-G191 WeakPolarHBondContact CB-O 3.34Å; K149-G191 PolarHBondContact N-O 3.35Å; K149-G191 PolarHBondContact O-N 3.11Å; K149-V193 HydrophobicContact CB-CG2 3.77Å; K149-V193 HydrophobicContact CD-CG2 4.25Å
150	P	97	Very high	95.3	Very high	14 Å²	14	35.4 Å²	35.4	9%	0.091	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-67	165.7	170.1	28.9	-34.4	0	0	0	111.5	R133 V135 D148 L153	R133-P150 HydrophobicContact CB-CB 3.68Å; R133-P150 HydrophobicContact CB-CG 4.15Å; V135-P150 HydrophobicContact CG2-CG 4.38Å; D148-P150 WeakPolarHBondContact O-CD 3.38Å; P150-L153 HydrophobicContact CG-CD1 3.78Å; P150-L153 HydrophobicContact CG-CG 4.44Å
151	C	96	Very high	95.1	Very high	8 Å²	8	32.1 Å²	32.1	5%	0.054	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	170.2	169.9	-56.3	0	0	0	0	110.9	L131 L153 L188 L370 E371	L131-C151 HydrophobicContact CD1-CB 4.06Å; C151-L153 VanDerWaalsContact C-N 3.26Å; C151-L153 PolarHBondContact O-N 2.82Å; C151-L153 VanDerWaalsContact O-N 3.12Å; C151-L188 PolarHBondContact SG-O 2.97Å; C151-L370 WeakPolarHBondContact CB-O 3.46Å; C151-E371 HydrophobicContact CB-CG 4.44Å
152	S	95.9	Very high	95.1	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	-15.5	176.6	80.3	0	0	0	0	118.7	V130 L131 R187 L370	V130-S152 WeakPolarHBondContact CB-OG 3.42Å; L131-S152 PolarHBondContact N-OG 3.42Å; S152-R187 CarbonylContact C-O 3.51Å; S152-R187 WeakPolarHBondContact CA-O 2.96Å; S152-R187 PolarHBondContact N-O 3Å; S152-R187 WeakPolarHBondContact O-CG 3.49Å; S152-L370 PolarHBondContact N-O 2.97Å
153	L	96.7	Very high	95.2	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	14%	0.143	C	C	.	.			trans	-94.2	123.9	-179	-65.6	-179.6	0	0	0	113.4	V130 V135 K149 P150 C151 L166 I169 R187	V130-L153 HydrophobicContact CB-CD2 3.92Å; V130-L153 HydrophobicContact CG1-CD2 4.02Å; V130-L153 HydrophobicContact CG2-CD2 3.69Å; V135-L153 HydrophobicContact CG2-CD1 4.02Å; K149-L153 HydrophobicContact CD-CB 4.45Å; K149-L153 WeakPolarHBondContact CE-O 3.05Å; K149-L153 HydrophobicContact CG-CB 4.41Å; K149-L153 PolarHBondContact NZ-O 2.99Å; P150-L153 HydrophobicContact CG-CD1 3.78Å; P150-L153 HydrophobicContact CG-CG 4.44Å; C151-L153 VanDerWaalsContact C-N 3.26Å; C151-L153 PolarHBondContact O-N 2.82Å; C151-L153 VanDerWaalsContact O-N 3.12Å; L153-L166 HydrophobicContact CD1-CD1 4.45Å; L153-I169 HydrophobicContact CD1-CD1 3.78Å; L153-I169 HydrophobicContact CD2-CD1 3.56Å; L153-I169 HydrophobicContact CG-CD1 4.35Å; L153-R187 PolarHBondContact N-O 2.78Å; L153-R187 WeakPolarHBondContact O-CA 3.43Å
154	P	96.6	Very high	95.3	Very high	7 Å²	7	21.2 Å²	21.2	5%	0.045	13%	0.125	C	C	.	.			trans	-72.2	153.8	163.8	30.6	-30.7	0	0	0	110.1	H156 C158 Y161 N164 S165 L166 R187	P154-H156 PolarHBondContact O-N 3.11Å; P154-C158 VanDerWaalsContact CB-SG 3.58Å; P154-Y161 HydrophobicContact CG-CD1 4.31Å; P154-Y161 HydrophobicContact CG-CD2 4.05Å; P154-Y161 HydrophobicContact CG-CG 3.72Å; P154-N164 VanDerWaalsContact CD-O 3.3Å; P154-N164 WeakPolarHBondContact CD-O 3.35Å; P154-S165 CarbonylContact O-C 3.56Å; P154-S165 WeakPolarHBondContact O-CA 3.16Å; P154-L166 PolarHBondContact O-N 3.18Å; P154-R187 HydrophobicContact CB-CB 4.42Å; P154-R187 HydrophobicContact CB-CG 4.4Å
155	I	97.3	Very high	95.3	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.026	12%	0.123	C	C	.	.	S	Bend	trans	-64.4	-43	-177.4	-61	-70.9	0	0	0	112	K149 L166 T167 T181 R184 L185 V193 F195	K149-I155 HydrophobicContact CD-CD1 3.79Å; I155-L166 HydrophobicContact CD1-CD2 3.88Å; I155-T167 VanDerWaalsContact O-CG2 3.25Å; I155-T167 WeakPolarHBondContact O-CG2 3.47Å; I155-T167 PolarHBondContact O-N 2.89Å; I155-T167 PolarHBondContact O-OG1 3.14Å; I155-T167 VanDerWaalsContact O-OG1 3.12Å; I155-T181 HydrophobicContact CG2-CG2 3.97Å; I155-R184 HydrophobicContact CG1-CB 4.4Å; I155-L185 HydrophobicContact CD1-CB 4Å; I155-L185 HydrophobicContact CG1-CB 4.45Å; I155-L185 WeakPolarHBondContact CG1-O 3.45Å; I155-V193 HydrophobicContact CD1-CB 4.5Å; I155-V193 HydrophobicContact CD1-CG1 3.9Å; I155-V193 HydrophobicContact CD1-CG2 3.76Å; I155-F195 HydrophobicContact CG2-CE1 4.16Å; I155-F195 HydrophobicContact CG2-CZ 4.19Å
156	H	94.7	Very high	95.3	Very high	65 Å²	65	20.8 Å²	20.8	30%	0.301	12%	0.123	S	C	.	.	S	Bend	trans	-139	166.1	-176.4	60.7	-91.6	0	0	0	110.8	P154 C158 S165 T167	P154-H156 PolarHBondContact O-N 3.11Å; H156-C158 PolarHBondContact O-N 3.06Å; H156-C158 VanDerWaalsContact O-N 3.16Å; H156-C158 PolarHBondContact O-SG 3.4Å; H156-S165 VanDerWaalsContact C-CB 3.5Å; H156-T167 WeakPolarHBondContact CA-OG1 2.91Å; H156-T167 HydrophobicContact CB-CG2 4.48Å
157	P	93.9	Very high	95.2	Very high	41 Å²	41	22 Å²	22	27%	0.266	13%	0.13	S	C	.	.			trans	-51.2	121.2	177.8	-31.7	38.2	0	0	0	112.6	Y161 Y162 S165 Q168	P157-Y161 CarbonylContact C-O 3.58Å; P157-Y161 VanDerWaalsContact CA-O 3.29Å; P157-Y161 WeakPolarHBondContact CA-O 3.4Å; P157-Y162 HydrophobicContact CB-CD2 3.52Å; P157-Y162 HydrophobicContact CB-CE2 4.04Å; P157-Y162 HydrophobicContact CB-CG 4.15Å; P157-Y162 HydrophobicContact CG-CD2 3.84Å; P157-Y162 HydrophobicContact CG-CE2 4.06Å; P157-Y162 HydrophobicContact CG-CG 4.24Å; P157-S165 WeakPolarHBondContact CD-OG 3.36Å; P157-Q168 HydrophobicContact CG-CG 3.85Å
158	C	88.9	Confident	95.2	Very high	55 Å²	55	23.1 Å²	23.1	37%	0.372	14%	0.136	S	C	.	.	B	Isolated β-bridge	trans	-158.7	145.5	179.3	64.8	0	0	0	0	110.9	P154 H156 R160 Y161	P154-C158 VanDerWaalsContact CB-SG 3.58Å; H156-C158 PolarHBondContact O-N 3.06Å; H156-C158 VanDerWaalsContact O-N 3.16Å; H156-C158 PolarHBondContact O-SG 3.4Å; C158-R160 PolarHBondContact O-N 3.24Å; C158-Y161 PolarHBondContact N-O 2.63Å; C158-Y161 WeakPolarHBondContact O-CB 3.46Å; C158-Y161 PolarHBondContact O-N 2.99Å
159	G	86	Confident	95.1	Very high	70 Å²	70	22.1 Å²	22.1	72%	0.722	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	-129	-175.8	0	0	0	0	0	110.7	R125 Y161	R125-G159 PolarHBondContact NH2-O 2.91Å; G159-Y161 VanDerWaalsContact C-N 3.34Å
160	R	88.2	Confident	95.1	Very high	81 Å²	81	22.1 Å²	22.1	31%	0.306	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-10	177.4	-56.7	-171.2	112.5	-148.8	-0.4	113.9	R125 E127 L128 C158	R125-R160 PolarHBondContact NH2-O 3.15Å; E127-R160 WeakPolarHBondContact CA-O 3.38Å; E127-R160 WeakPolarHBondContact CG-O 3.19Å; L128-R160 HydrophobicContact CG-CB 4.24Å; C158-R160 PolarHBondContact O-N 3.24Å
161	Y	93.2	Very high	95.1	Very high	15 Å²	15	24.7 Å²	24.7	6%	0.059	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-89	126.9	178.9	-56	-83	0	0	0	111.2	R125 L128 V130 P154 P157 C158 G159 N164	R125-Y161 PolarHBondContact NH2-O 3.14Å; L128-Y161 HydrophobicContact CB-CD1 4.45Å; L128-Y161 HydrophobicContact CB-CE1 3.61Å; L128-Y161 HydrophobicContact CB-CE2 4.49Å; L128-Y161 HydrophobicContact CD1-CE2 4.16Å; L128-Y161 WeakPolarHBondContact O-CE1 3.38Å; V130-Y161 HydrophobicContact CG1-CD1 4.06Å; V130-Y161 HydrophobicContact CG1-CE1 3.7Å; P154-Y161 HydrophobicContact CG-CD1 4.31Å; P154-Y161 HydrophobicContact CG-CD2 4.05Å; P154-Y161 HydrophobicContact CG-CG 3.72Å; P157-Y161 CarbonylContact C-O 3.58Å; P157-Y161 VanDerWaalsContact CA-O 3.29Å; P157-Y161 WeakPolarHBondContact CA-O 3.4Å; C158-Y161 PolarHBondContact N-O 2.63Å; C158-Y161 WeakPolarHBondContact O-CB 3.46Å; C158-Y161 PolarHBondContact O-N 2.99Å; G159-Y161 VanDerWaalsContact C-N 3.34Å; Y161-N164 HydrophobicContact CD1-CB 4.02Å
162	Y	95.6	Very high	95.1	Very high	39 Å²	39	28.3 Å²	28.3	15%	0.153	15%	0.153	C	C	.	.	S	Bend	trans	-128.9	-76.8	170.3	-172.5	-89.4	0	0	0	109	A39 Y58 F60 E127 P157 N164 S165 Q168	A39-Y162 HydrophobicContact CB-CD1 4.4Å; A39-Y162 HydrophobicContact CB-CE1 3.98Å; Y58-Y162 WeakPolarHBondContact OH-CB 3.38Å; F60-Y162 HydrophobicContact CE2-CD1 4.46Å; F60-Y162 AromaticContact CE2-CD2 3.56Å; F60-Y162 HydrophobicContact CE2-CD2 3.56Å; F60-Y162 AromaticContact CE2-CE2 3.64Å; F60-Y162 HydrophobicContact CE2-CE2 3.64Å; F60-Y162 HydrophobicContact CE2-CG 4.02Å; F60-Y162 AromaticContact CZ-CD2 3.92Å; F60-Y162 HydrophobicContact CZ-CD2 3.92Å; F60-Y162 AromaticContact CZ-CE2 3.97Å; F60-Y162 HydrophobicContact CZ-CE2 3.97Å; E127-Y162 VanDerWaalsContact CD-N 3.32Å; E127-Y162 PolarHBondContact OE2-N 3.21Å; P157-Y162 HydrophobicContact CB-CD2 3.52Å; P157-Y162 HydrophobicContact CB-CE2 4.04Å; P157-Y162 HydrophobicContact CB-CG 4.15Å; P157-Y162 HydrophobicContact CG-CD2 3.84Å; P157-Y162 HydrophobicContact CG-CE2 4.06Å; P157-Y162 HydrophobicContact CG-CG 4.24Å; Y162-N164 VanDerWaalsContact C-N 3.33Å; Y162-S165 VanDerWaalsContact O-CB 3.32Å; Y162-S165 WeakPolarHBondContact O-CB 3.42Å; Y162-S165 PolarHBondContact O-N 3.29Å; Y162-S165 PolarHBondContact O-OG 2.97Å; Y162-Q168 HydrophobicContact CD1-CG 4.47Å; Y162-Q168 WeakPolarHBondContact O-CB 3.3Å; Y162-Q168 WeakPolarHBondContact O-CG 3.35Å
163	F	97.4	Very high	95	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	18%	0.175	C	C	.	.	S	Bend	trans	-68.1	-31.5	175.4	-66.7	-58.8	0	0	0	112.7	A39 V41 P44 Y46 V55 Y58 E127 S165 Q168 Y172	A39-F163 HydrophobicContact CB-CE2 3.82Å; A39-F163 HydrophobicContact CB-CZ 3.57Å; V41-F163 HydrophobicContact CG2-CE2 3.76Å; V41-F163 HydrophobicContact CG2-CZ 3.68Å; P44-F163 HydrophobicContact CB-CB 3.81Å; P44-F163 HydrophobicContact CB-CD1 3.78Å; P44-F163 HydrophobicContact CB-CD2 4.01Å; P44-F163 HydrophobicContact CB-CE1 4.31Å; P44-F163 HydrophobicContact CB-CE2 4.5Å; P44-F163 HydrophobicContact CB-CG 3.62Å; P44-F163 HydrophobicContact CG-CD1 4Å; P44-F163 HydrophobicContact CG-CE1 4.44Å; P44-F163 HydrophobicContact CG-CG 4.33Å; Y46-F163 HydrophobicContact CE1-CB 4.23Å; Y46-F163 PolarHBondContact OH-O 3.47Å; V55-F163 HydrophobicContact CG1-CB 4.38Å; V55-F163 HydrophobicContact CG1-CD2 3.98Å; V55-F163 HydrophobicContact CG2-CB 4.08Å; Y58-F163 HydrophobicContact CD1-CD2 4.18Å; Y58-F163 HydrophobicContact CD1-CE2 4.07Å; Y58-F163 HydrophobicContact CD2-CE2 4.02Å; Y58-F163 AromaticContact CE1-CD2 3.48Å; Y58-F163 HydrophobicContact CE1-CD2 3.48Å; Y58-F163 VanDerWaalsContact CE1-CD2 3.48Å; Y58-F163 AromaticContact CE1-CE2 3.7Å; Y58-F163 HydrophobicContact CE1-CE2 3.7Å; Y58-F163 HydrophobicContact CE2-CD2 4.11Å; Y58-F163 AromaticContact CE2-CE2 3.63Å; Y58-F163 HydrophobicContact CE2-CE2 3.63Å; Y58-F163 HydrophobicContact CG-CE2 4.24Å; Y58-F163 AromaticContact CZ-CD2 3.44Å; Y58-F163 VanDerWaalsContact CZ-CD2 3.44Å; Y58-F163 AromaticContact CZ-CE2 3.46Å; Y58-F163 VanDerWaalsContact CZ-CE2 3.46Å; Y58-F163 WeakPolarHBondContact OH-CD2 3.36Å; E127-F163 VanDerWaalsContact CD-N 3.3Å; E127-F163 VanDerWaalsContact OE1-CB 3.29Å; E127-F163 WeakPolarHBondContact OE1-CB 3.47Å; E127-F163 WeakPolarHBondContact OE1-CD2 3.15Å; E127-F163 PolarHBondContact OE1-N 2.76Å; E127-F163 PolarHBondContact OE2-N 2.97Å; F163-S165 PolarHBondContact O-N 3.36Å; F163-Q168 HydrophobicContact CD1-CB 4.46Å; F163-Y172 HydrophobicContact CD1-CD2 4.24Å; F163-Y172 AromaticContact CD1-CE2 3.97Å; F163-Y172 HydrophobicContact CD1-CE2 3.97Å; F163-Y172 HydrophobicContact CE1-CD2 4.32Å; F163-Y172 AromaticContact CE1-CE2 3.64Å; F163-Y172 HydrophobicContact CE1-CE2 3.64Å
164	N	96.8	Very high	95	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-79.4	52.4	167.1	-83.2	-14	0	0	0	110.9	R53 E127 L128 V130 P154 Y161 Y162	R53-N164 PolarHBondContact O-ND2 2.79Å; E127-N164 WeakPolarHBondContact OE2-CB 3.44Å; E127-N164 PolarHBondContact OE2-N 2.84Å; L128-N164 PolarHBondContact O-ND2 2.83Å; V130-N164 HydrophobicContact CG1-CB 3.86Å; V130-N164 HydrophobicContact CG2-CB 4.15Å; P154-N164 VanDerWaalsContact CD-O 3.3Å; P154-N164 WeakPolarHBondContact CD-O 3.35Å; Y161-N164 HydrophobicContact CD1-CB 4.02Å; Y162-N164 VanDerWaalsContact C-N 3.33Å
165	S	96.8	Very high	94.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-132.4	151.5	168.4	70.8	0	0	0	0	110	P154 H156 P157 Y162 F163 T167 Q168 I169	P154-S165 CarbonylContact O-C 3.56Å; P154-S165 WeakPolarHBondContact O-CA 3.16Å; H156-S165 VanDerWaalsContact C-CB 3.5Å; P157-S165 WeakPolarHBondContact CD-OG 3.36Å; Y162-S165 VanDerWaalsContact O-CB 3.32Å; Y162-S165 WeakPolarHBondContact O-CB 3.42Å; Y162-S165 PolarHBondContact O-N 3.29Å; Y162-S165 PolarHBondContact O-OG 2.97Å; F163-S165 PolarHBondContact O-N 3.36Å; S165-T167 VanDerWaalsContact C-N 3.33Å; S165-T167 PolarHBondContact O-N 3.5Å; S165-Q168 PolarHBondContact O-N 3.15Å; S165-Q168 VanDerWaalsContact O-N 3.08Å; S165-Q168 WeakPolarHBondContact OG-CG 3.27Å; S165-I169 WeakPolarHBondContact O-CG1 3.46Å; S165-I169 PolarHBondContact O-N 2.88Å
166	L	97.8	Very high	94.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55.6	-46.5	-174	-178.2	60.3	0	0	0	112	V135 V147 K149 L153 P154 I155 Q168 I169 L170 V193 F195	V135-L166 HydrophobicContact CB-CD1 4.35Å; V135-L166 HydrophobicContact CG1-CD1 3.76Å; V135-L166 HydrophobicContact CG2-CD1 3.62Å; V147-L166 HydrophobicContact CG2-CD1 4.44Å; V147-L166 HydrophobicContact CG2-CD2 4.06Å; K149-L166 HydrophobicContact CB-CD2 4.11Å; K149-L166 HydrophobicContact CD-CD2 3.84Å; K149-L166 HydrophobicContact CG-CD1 4.31Å; K149-L166 HydrophobicContact CG-CD2 3.77Å; L153-L166 HydrophobicContact CD1-CD1 4.45Å; P154-L166 PolarHBondContact O-N 3.18Å; I155-L166 HydrophobicContact CD1-CD2 3.88Å; L166-Q168 PolarHBondContact O-N 3.22Å; L166-I169 PolarHBondContact O-N 2.91Å; L166-L170 HydrophobicContact CD1-CD1 4.06Å; L166-L170 HydrophobicContact CD1-CG 4.14Å; L166-L170 HydrophobicContact CG-CD1 3.91Å; L166-L170 HydrophobicContact CG-CG 4.4Å; L166-L170 WeakPolarHBondContact O-CB 3.46Å; L166-L170 VanDerWaalsContact O-CG 3.25Å; L166-L170 WeakPolarHBondContact O-CG 3.23Å; L166-L170 PolarHBondContact O-N 2.91Å; L166-V193 HydrophobicContact CD2-CB 4.3Å; L166-V193 HydrophobicContact CD2-CG1 4.2Å; L166-V193 HydrophobicContact CD2-CG2 4.23Å; L166-F195 HydrophobicContact CD2-CE2 3.63Å; L166-F195 HydrophobicContact CD2-CZ 3.61Å; L166-F195 HydrophobicContact CG-CE2 4.07Å; L166-F195 HydrophobicContact CG-CZ 3.95Å
167	T	96.9	Very high	94.7	Very high	25 Å²	25	39.9 Å²	39.9	15%	0.153	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-37.1	178.1	49.1	0	0	0	0	113.4	I155 H156 S165 K171 F195	I155-T167 VanDerWaalsContact O-CG2 3.25Å; I155-T167 WeakPolarHBondContact O-CG2 3.47Å; I155-T167 PolarHBondContact O-N 2.89Å; I155-T167 PolarHBondContact O-OG1 3.14Å; I155-T167 VanDerWaalsContact O-OG1 3.12Å; H156-T167 WeakPolarHBondContact CA-OG1 2.91Å; H156-T167 HydrophobicContact CB-CG2 4.48Å; S165-T167 VanDerWaalsContact C-N 3.33Å; S165-T167 PolarHBondContact O-N 3.5Å; T167-K171 WeakPolarHBondContact O-CB 3.45Å; T167-K171 PolarHBondContact O-N 3.22Å; T167-F195 HydrophobicContact CG2-CE1 3.7Å; T167-F195 HydrophobicContact CG2-CZ 4.11Å
168	Q	96.4	Very high	94.4	Very high	25 Å²	25	43.4 Å²	43.4	12%	0.117	25%	0.249	C	C	.	.	H	α-helix	trans	-72.8	-39	176.4	-65.5	-52	-63.9	0	0	111.7	P157 Y162 F163 S165 L166 K171 Y172	P157-Q168 HydrophobicContact CG-CG 3.85Å; Y162-Q168 HydrophobicContact CD1-CG 4.47Å; Y162-Q168 WeakPolarHBondContact O-CB 3.3Å; Y162-Q168 WeakPolarHBondContact O-CG 3.35Å; F163-Q168 HydrophobicContact CD1-CB 4.46Å; S165-Q168 PolarHBondContact O-N 3.15Å; S165-Q168 VanDerWaalsContact O-N 3.08Å; S165-Q168 WeakPolarHBondContact OG-CG 3.27Å; L166-Q168 PolarHBondContact O-N 3.22Å; Q168-K171 PolarHBondContact O-N 2.69Å; Q168-Y172 WeakPolarHBondContact O-CD2 3.29Å; Q168-Y172 PolarHBondContact O-N 2.65Å
169	I	97	Very high	94.7	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.046	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-46.7	174.2	-68.5	167.5	0	0	0	110.4	V135 L153 S165 L166 K171 Y172 S173	V135-I169 HydrophobicContact CG2-CG2 4.18Å; L153-I169 HydrophobicContact CD1-CD1 3.78Å; L153-I169 HydrophobicContact CD2-CD1 3.56Å; L153-I169 HydrophobicContact CG-CD1 4.35Å; S165-I169 WeakPolarHBondContact O-CG1 3.46Å; S165-I169 PolarHBondContact O-N 2.88Å; L166-I169 PolarHBondContact O-N 2.91Å; I169-K171 VanDerWaalsContact C-N 3.29Å; I169-K171 PolarHBondContact O-N 3.25Å; I169-Y172 PolarHBondContact O-N 3.45Å; I169-S173 WeakPolarHBondContact O-CA 3.48Å; I169-S173 WeakPolarHBondContact O-CB 3.32Å; I169-S173 PolarHBondContact O-N 3.24Å; I169-S173 PolarHBondContact O-OG 3.14Å
170	L	97.7	Very high	95.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-37.9	176.4	-71.1	173.6	0	0	0	112.3	V135 L145 V147 L166 F174 G175 F176 L179 F195	V135-L170 HydrophobicContact CG1-CD2 4.07Å; L145-L170 HydrophobicContact CD2-CD1 4.13Å; L145-L170 HydrophobicContact CD2-CD2 4.29Å; V147-L170 HydrophobicContact CG1-CD1 4.41Å; V147-L170 HydrophobicContact CG1-CD2 4.15Å; L166-L170 HydrophobicContact CD1-CD1 4.06Å; L166-L170 HydrophobicContact CD1-CG 4.14Å; L166-L170 HydrophobicContact CG-CD1 3.91Å; L166-L170 HydrophobicContact CG-CG 4.4Å; L166-L170 WeakPolarHBondContact O-CB 3.46Å; L166-L170 VanDerWaalsContact O-CG 3.25Å; L166-L170 WeakPolarHBondContact O-CG 3.23Å; L166-L170 PolarHBondContact O-N 2.91Å; L170-F174 HydrophobicContact CD2-CD2 3.97Å; L170-F174 HydrophobicContact CD2-CE2 4.33Å; L170-F174 HydrophobicContact CD2-CG 4.46Å; L170-F174 CarbonylContact O-C 3.57Å; L170-F174 WeakPolarHBondContact O-CA 3.14Å; L170-F174 WeakPolarHBondContact O-CB 3.36Å; L170-F174 PolarHBondContact O-N 3.44Å; L170-G175 PolarHBondContact O-N 2.74Å; L170-F176 HydrophobicContact CB-CB 4.31Å; L170-F176 HydrophobicContact CB-CD2 4.41Å; L170-F176 HydrophobicContact CD2-CD2 4.2Å; L170-F176 PolarHBondContact O-N 2.89Å; L170-L179 HydrophobicContact CB-CD1 4.03Å; L170-L179 HydrophobicContact CD1-CD1 3.68Å; L170-L179 HydrophobicContact CG-CD1 4.49Å; L170-F195 HydrophobicContact CD1-CD2 3.93Å; L170-F195 HydrophobicContact CD1-CE2 3.45Å; L170-F195 VanDerWaalsContact CD1-CE2 3.45Å; L170-F195 HydrophobicContact CD1-CZ 3.98Å
171	K	96.9	Very high	95.2	Very high	68 Å²	68	41.2 Å²	41.2	30%	0.296	22%	0.219	S	C	.	.	H	α-helix	trans	-64.7	-56	174.7	179.3	-178.7	175.3	-177.4	0	112.1	T167 Q168 I169 G175 F176	T167-K171 WeakPolarHBondContact O-CB 3.45Å; T167-K171 PolarHBondContact O-N 3.22Å; Q168-K171 PolarHBondContact O-N 2.69Å; I169-K171 VanDerWaalsContact C-N 3.29Å; I169-K171 PolarHBondContact O-N 3.25Å; K171-G175 WeakPolarHBondContact O-CA 3.32Å; K171-G175 PolarHBondContact O-N 2.83Å; K171-F176 WeakPolarHBondContact CA-O 3.28Å
172	Y	95.9	Very high	95	Very high	85 Å²	85	42.5 Å²	42.5	33%	0.333	23%	0.227	S	C	.	.	H	α-helix	trans	-84.4	-26.4	-169	-77.2	-76.7	0	0	0	114.1	D42 G43 P44 F163 Q168 I169	D42-Y172 VanDerWaalsContact O-CE1 3.32Å; D42-Y172 WeakPolarHBondContact O-CE1 3.44Å; D42-Y172 PolarHBondContact O-OH 3.43Å; D42-Y172 VanDerWaalsContact O-OH 3.04Å; G43-Y172 VanDerWaalsContact CA-CE1 3.46Å; P44-Y172 VanDerWaalsContact CD-CD1 3.48Å; P44-Y172 VanDerWaalsContact CD-CG 3.43Å; P44-Y172 HydrophobicContact CG-CD1 4.34Å; P44-Y172 HydrophobicContact CG-CD2 4.13Å; P44-Y172 HydrophobicContact CG-CG 3.89Å; F163-Y172 HydrophobicContact CD1-CD2 4.24Å; F163-Y172 AromaticContact CD1-CE2 3.97Å; F163-Y172 HydrophobicContact CD1-CE2 3.97Å; F163-Y172 HydrophobicContact CE1-CD2 4.32Å; F163-Y172 AromaticContact CE1-CE2 3.64Å; F163-Y172 HydrophobicContact CE1-CE2 3.64Å; Q168-Y172 WeakPolarHBondContact O-CD2 3.29Å; Q168-Y172 PolarHBondContact O-N 2.65Å; I169-Y172 PolarHBondContact O-N 3.45Å
173	S	94.6	Very high	94.6	Very high	65 Å²	65	42.2 Å²	42.2	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-97.3	-24.2	179.1	-55.4	0	0	0	0	113.5	I169	I169-S173 WeakPolarHBondContact O-CA 3.48Å; I169-S173 WeakPolarHBondContact O-CB 3.32Å; I169-S173 PolarHBondContact O-N 3.24Å; I169-S173 PolarHBondContact O-OG 3.14Å
174	F	95.5	Very high	94.4	Very high	70 Å²	70	49.8 Å²	49.8	31%	0.307	26%	0.255	S	S	.	.	H	α-helix	trans	-125.8	-2.5	-175.9	-59.7	-95.7	0	0	0	114	V135 I137 L170 F176	V135-F174 HydrophobicContact CB-CE2 4.44Å; I137-F174 HydrophobicContact CD1-CD1 3.75Å; I137-F174 HydrophobicContact CD1-CE1 3.94Å; I137-F174 HydrophobicContact CG1-CE1 4.38Å; L170-F174 HydrophobicContact CD2-CD2 3.97Å; L170-F174 HydrophobicContact CD2-CE2 4.33Å; L170-F174 HydrophobicContact CD2-CG 4.46Å; L170-F174 CarbonylContact O-C 3.57Å; L170-F174 WeakPolarHBondContact O-CA 3.14Å; L170-F174 WeakPolarHBondContact O-CB 3.36Å; L170-F174 PolarHBondContact O-N 3.44Å; F174-F176 HydrophobicContact CB-CD2 3.43Å; F174-F176 VanDerWaalsContact CB-CD2 3.43Å; F174-F176 HydrophobicContact CB-CE2 3.55Å; F174-F176 HydrophobicContact CB-CG 4.43Å; F174-F176 HydrophobicContact CD1-CE2 4.49Å; F174-F176 HydrophobicContact CG-CD2 4.37Å; F174-F176 HydrophobicContact CG-CE2 4.26Å; F174-F176 PolarHBondContact O-N 3.21Å
175	G	96.1	Very high	94.3	Very high	62 Å²	62	50.1 Å²	50.1	64%	0.639	26%	0.257	S	S	*	.			trans	74.3	9.4	179.8	0	0	0	0	0	114.6	L170 K171 D177	L170-G175 PolarHBondContact O-N 2.74Å; K171-G175 WeakPolarHBondContact O-CA 3.32Å; K171-G175 PolarHBondContact O-N 2.83Å; G175-D177 PolarHBondContact O-N 3.41Å; G175-D177 VanDerWaalsContact O-N 3.12Å
176	F	96.2	Very high	94.2	Very high	35 Å²	35	52.3 Å²	52.3	15%	0.154	27%	0.268	C	S	.	.			trans	-82.1	92.2	178.6	-61.7	-61	0	0	0	111.2	I137 L145 L170 K171 F174 L179	I137-F176 HydrophobicContact CD1-CE2 3.75Å; I137-F176 HydrophobicContact CD1-CZ 4.12Å; L145-F176 HydrophobicContact CD1-CD2 4.42Å; L145-F176 HydrophobicContact CD1-CE1 4.24Å; L145-F176 HydrophobicContact CD1-CE2 3.79Å; L145-F176 HydrophobicContact CD1-CZ 3.69Å; L145-F176 HydrophobicContact CD2-CB 4.4Å; L145-F176 HydrophobicContact CD2-CD1 4.31Å; L145-F176 HydrophobicContact CD2-CD2 3.55Å; L145-F176 HydrophobicContact CD2-CE1 4.5Å; L145-F176 HydrophobicContact CD2-CE2 3.77Å; L145-F176 HydrophobicContact CD2-CG 3.85Å; L145-F176 HydrophobicContact CD2-CZ 4.25Å; L145-F176 HydrophobicContact CG-CE2 4.45Å; L170-F176 HydrophobicContact CB-CB 4.31Å; L170-F176 HydrophobicContact CB-CD2 4.41Å; L170-F176 HydrophobicContact CD2-CD2 4.2Å; L170-F176 PolarHBondContact O-N 2.89Å; K171-F176 WeakPolarHBondContact CA-O 3.28Å; F174-F176 HydrophobicContact CB-CD2 3.43Å; F174-F176 VanDerWaalsContact CB-CD2 3.43Å; F174-F176 HydrophobicContact CB-CE2 3.55Å; F174-F176 HydrophobicContact CB-CG 4.43Å; F174-F176 HydrophobicContact CD1-CE2 4.49Å; F174-F176 HydrophobicContact CG-CD2 4.37Å; F174-F176 HydrophobicContact CG-CE2 4.26Å; F174-F176 PolarHBondContact O-N 3.21Å; F176-L179 HydrophobicContact CB-CD1 3.74Å; F176-L179 HydrophobicContact CB-CD2 4.22Å; F176-L179 HydrophobicContact CB-CG 4.01Å
177	D	89.8	Confident	94	Very high	92 Å²	92	54.4 Å²	54.4	49%	0.492	28%	0.276	S	S	.	.			trans	-89.7	162	169.8	-154.8	-1.2	0	0	0	111.5	G175 L179	G175-D177 PolarHBondContact O-N 3.41Å; G175-D177 VanDerWaalsContact O-N 3.12Å; D177-L179 VanDerWaalsContact C-N 3.28Å; D177-L179 PolarHBondContact O-N 2.97Å
178	N	89.2	Confident	94	Very high	115 Å²	115	53.6 Å²	53.6	62%	0.615	27%	0.271	S	S	*	.	S	Bend	trans	63.6	15.3	174.1	-61.3	-59.5	0	0	0	117.8
179	L	95	Very high	94	Very high	23 Å²	23	52.5 Å²	52.5	12%	0.12	27%	0.266	C	S	.	.			trans	-57.7	138.5	174.3	-63	179.2	0	0	0	112.8	L145 L170 F176 D177 F195 K197	L145-L179 HydrophobicContact CB-CD2 4.36Å; L145-L179 HydrophobicContact CD2-CD1 3.75Å; L145-L179 HydrophobicContact CD2-CD2 4.19Å; L170-L179 HydrophobicContact CB-CD1 4.03Å; L170-L179 HydrophobicContact CD1-CD1 3.68Å; L170-L179 HydrophobicContact CG-CD1 4.49Å; F176-L179 HydrophobicContact CB-CD1 3.74Å; F176-L179 HydrophobicContact CB-CD2 4.22Å; F176-L179 HydrophobicContact CB-CG 4.01Å; D177-L179 VanDerWaalsContact C-N 3.28Å; D177-L179 PolarHBondContact O-N 2.97Å; L179-F195 HydrophobicContact CB-CB 4.07Å; L179-F195 HydrophobicContact CB-CD1 3.77Å; L179-F195 HydrophobicContact CB-CE1 4.47Å; L179-F195 HydrophobicContact CB-CG 4.1Å; L179-F195 HydrophobicContact CD1-CB 4.18Å; L179-F195 HydrophobicContact CD1-CD1 4.23Å; L179-F195 HydrophobicContact CD1-CD2 4.24Å; L179-F195 HydrophobicContact CD1-CG 3.97Å; L179-F195 HydrophobicContact CD2-CB 3.96Å; L179-F195 HydrophobicContact CG-CB 4.3Å; L179-F195 HydrophobicContact CG-CG 4.47Å; L179-K197 HydrophobicContact CD2-CG 4.11Å
180	K	94	Very high	94	Very high	94 Å²	94	52.6 Å²	52.6	41%	0.409	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-114.1	139.4	173.5	-58	-59.2	176.4	-160.4	0	110.7	F195 L196	K180-F195 CarbonylContact O-C 3.47Å; K180-F195 VanDerWaalsContact O-CA 3.28Å; K180-F195 WeakPolarHBondContact O-CA 3.33Å; K180-L196 HydrophobicContact CB-CB 4.39Å; K180-L196 PolarHBondContact N-O 2.8Å; K180-L196 PolarHBondContact O-N 3.49Å
181	T	90.8	Very high	94	Very high	42 Å²	42	52.6 Å²	52.6	26%	0.258	27%	0.267	S	S	.	.			trans	-117.3	143.4	170.4	-168.8	0	0	0	0	109.7	I155 Y183	I155-T181 HydrophobicContact CG2-CG2 3.97Å; T181-Y183 WeakPolarHBondContact CB-O 3.5Å; T181-Y183 VanDerWaalsContact CG2-O 3.28Å; T181-Y183 WeakPolarHBondContact CG2-O 3.36Å; T181-Y183 PolarHBondContact OG1-O 3.14Å
182	L	87.4	Confident	94.1	Very high	42 Å²	42	49.3 Å²	49.3	22%	0.22	25%	0.253	C	S	.	.	S	Bend	trans	-97.1	-17.6	174.8	-64.8	-170.8	0	0	0	113.8	L196 E202 F205	L182-L196 HydrophobicContact CD1-CD1 3.94Å; L182-L196 HydrophobicContact CD2-CD1 4.28Å; L182-L196 HydrophobicContact CG-CD1 3.8Å; L182-E202 HydrophobicContact CD2-CG 4.26Å; L182-F205 HydrophobicContact CD1-CB 3.24Å; L182-F205 HydrophobicContact CD1-CG 4.37Å; L182-F205 HydrophobicContact CG-CB 4.45Å
183	Y	89.1	Confident	94.2	Very high	34 Å²	34	45.3 Å²	45.3	13%	0.133	24%	0.237	C	C	.	.	S	Bend	trans	-133.1	172.7	176.1	59.1	-89.5	0	0	0	109.1	T181 V194 Y379	T181-Y183 WeakPolarHBondContact CB-O 3.5Å; T181-Y183 VanDerWaalsContact CG2-O 3.28Å; T181-Y183 WeakPolarHBondContact CG2-O 3.36Å; T181-Y183 PolarHBondContact OG1-O 3.14Å; Y183-V194 HydrophobicContact CE1-CB 4.37Å; Y183-V194 WeakPolarHBondContact OH-CG2 3.32Å; Y183-V194 PolarHBondContact OH-N 2.8Å; Y183-Y379 HydrophobicContact CD1-CD1 4.41Å; Y183-Y379 AromaticContact CD1-CE1 3.84Å; Y183-Y379 HydrophobicContact CD1-CE1 3.84Å; Y183-Y379 AromaticContact CD2-CE1 3.92Å; Y183-Y379 HydrophobicContact CD2-CE1 3.92Å; Y183-Y379 AromaticContact CD2-CZ 4Å; Y183-Y379 AromaticContact CE1-CD1 3.72Å; Y183-Y379 HydrophobicContact CE1-CD1 3.72Å; Y183-Y379 AromaticContact CE1-CE1 3.55Å; Y183-Y379 HydrophobicContact CE1-CE1 3.55Å; Y183-Y379 HydrophobicContact CE2-CD1 4.21Å; Y183-Y379 AromaticContact CE2-CE1 3.62Å; Y183-Y379 HydrophobicContact CE2-CE1 3.62Å; Y183-Y379 HydrophobicContact CE2-CE2 4.42Å; Y183-Y379 AromaticContact CE2-CZ 3.74Å; Y183-Y379 HydrophobicContact CG-CE1 4.01Å; Y183-Y379 AromaticContact CZ-CD1 3.59Å; Y183-Y379 AromaticContact CZ-CE1 3.41Å; Y183-Y379 VanDerWaalsContact CZ-CE1 3.41Å; Y183-Y379 AromaticContact CZ-CZ 3.99Å
184	R	91.5	Very high	94.3	Very high	159 Å²	159	42.3 Å²	42.3	60%	0.6	22%	0.216	S	C	*	.			trans	-126.8	136.3	176.1	-56.5	-176.3	-59.5	169.8	5.7	107.5	I155	I155-R184 HydrophobicContact CG1-CB 4.4Å
185	L	94.8	Very high	94.4	Very high	8 Å²	8	39 Å²	39	4%	0.042	20%	0.201	C	C	.	.			trans	-92.8	137.3	164	-164.4	57.3	0	0	0	107.5	K149 I155 T189 V193 Y218 C376	K149-L185 HydrophobicContact CD-CD2 4.5Å; I155-L185 HydrophobicContact CD1-CB 4Å; I155-L185 HydrophobicContact CG1-CB 4.45Å; I155-L185 WeakPolarHBondContact CG1-O 3.45Å; L185-T189 HydrophobicContact CD1-CG2 3.38Å; L185-T189 HydrophobicContact CD2-CG2 4.29Å; L185-T189 HydrophobicContact CG-CG2 3.85Å; L185-V193 HydrophobicContact CB-CG2 4.13Å; L185-V193 HydrophobicContact CD2-CG2 3.9Å; L185-Y218 HydrophobicContact CD1-CE1 3.87Å; L185-C376 HydrophobicContact CD1-CB 3.97Å; L185-C376 HydrophobicContact CD2-CB 4.1Å
186	D	94.8	Very high	94.4	Very high	45 Å²	45	36.1 Å²	36.1	24%	0.241	17%	0.172	C	C	.	.			trans	-62.8	155.2	179.7	-64.8	-31	0	0	0	110.4	L188 T189 H282	D186-L188 VanDerWaalsContact C-N 3.3Å; D186-L188 PolarHBondContact O-N 3.31Å; D186-T189 PolarHBondContact O-N 3.32Å; D186-T189 VanDerWaalsContact O-N 3.14Å; D186-H282 IonicContact OD2-CD2 2.97Å; D186-H282 PolarHBondContact OD2-CD2 3.17Å; D186-H282 VanDerWaalsContact OD2-CD2 3.31Å
187	R	94.9	Very high	94.4	Very high	44 Å²	44	37.6 Å²	37.6	17%	0.166	18%	0.178	C	C	.	.	S	Bend	trans	-52.9	-46.8	-174.2	-180	-179.6	62.7	68.8	18.3	112.6	K149 S152 L153 P154 W336	K149-R187 PolarHBondContact NZ-O 2.98Å; K149-R187 VanDerWaalsContact NZ-O 3.08Å; S152-R187 CarbonylContact C-O 3.51Å; S152-R187 WeakPolarHBondContact CA-O 2.96Å; S152-R187 PolarHBondContact N-O 3Å; S152-R187 WeakPolarHBondContact O-CG 3.49Å; L153-R187 PolarHBondContact N-O 2.78Å; L153-R187 WeakPolarHBondContact O-CA 3.43Å; P154-R187 HydrophobicContact CB-CB 4.42Å; P154-R187 HydrophobicContact CB-CG 4.4Å; R187-W336 VanDerWaalsContact NH1-CH2 3.27Å; R187-W336 VanDerWaalsContact NH1-CZ3 3.31Å
188	L	95.4	Very high	94.6	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.042	17%	0.167	C	C	.	.	S	Bend	trans	-80.8	-22.2	-177.3	-67	178.7	0	0	0	113.7	C151 D186 L370 M372	C151-L188 PolarHBondContact SG-O 2.97Å; D186-L188 VanDerWaalsContact C-N 3.3Å; D186-L188 PolarHBondContact O-N 3.31Å; L188-L370 VanDerWaalsContact CD2-C 3.45Å; L188-L370 WeakPolarHBondContact CD2-O 3.37Å; L188-M372 HydrophobicContact CB-CB 3.91Å; L188-M372 HydrophobicContact CB-CE 3.9Å
189	T	97.1	Very high	94.8	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	17%	0.167	C	C	.	.			trans	-75.1	129.5	-179.3	-55.7	0	0	0	0	110.5	K149 L185 D186 Y218 M372 L374	K149-T189 WeakPolarHBondContact CE-O 3.24Å; K149-T189 PolarHBondContact NZ-O 3.18Å; L185-T189 HydrophobicContact CD1-CG2 3.38Å; L185-T189 HydrophobicContact CD2-CG2 4.29Å; L185-T189 HydrophobicContact CG-CG2 3.85Å; D186-T189 PolarHBondContact O-N 3.32Å; D186-T189 VanDerWaalsContact O-N 3.14Å; T189-Y218 HydrophobicContact CG2-CE1 4.3Å; T189-M372 VanDerWaalsContact OG1-CE 3.24Å; T189-M372 WeakPolarHBondContact OG1-CE 3.32Å; T189-L374 HydrophobicContact CG2-CB 4.44Å; T189-L374 HydrophobicContact CG2-CD2 4.16Å; T189-L374 HydrophobicContact CG2-CG 3.89Å; T189-L374 WeakPolarHBondContact CG2-O 3.37Å
190	S	98	Very high	94.8	Very high	11 Å²	11	40.3 Å²	40.3	8%	0.077	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	169.4	174.6	52.7	0	0	0	0	112.2	K149 L374 H375 C376	K149-S190 CarbonylContact O-C 3.53Å; K149-S190 WeakPolarHBondContact O-CA 3.48Å; K149-S190 WeakPolarHBondContact O-CB 3.42Å; S190-L374 PolarHBondContact N-O 3.47Å; S190-H375 CarbonylContact O-C 3.57Å; S190-H375 WeakPolarHBondContact O-CA 3.1Å; S190-H375 PolarHBondContact OG-ND1 2.83Å; S190-C376 WeakPolarHBondContact O-CB 3.45Å; S190-C376 PolarHBondContact O-N 3.16Å
191	G	97.9	Very high	94.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	113.7	-159.3	169.3	0	0	0	0	0	115.2	D148 K149 V193 H375 C376	D148-G191 WeakPolarHBondContact OD1-CA 3.34Å; D148-G191 PolarHBondContact OD1-N 2.68Å; K149-G191 WeakPolarHBondContact CB-O 3.34Å; K149-G191 PolarHBondContact N-O 3.35Å; K149-G191 PolarHBondContact O-N 3.11Å; G191-V193 PolarHBondContact O-N 3.09Å; G191-H375 WeakPolarHBondContact CA-CE1 3.25Å; G191-C376 CarbonylContact C-O 3.53Å; G191-C376 VanDerWaalsContact CA-O 3.28Å; G191-C376 WeakPolarHBondContact CA-O 3.19Å
192	V	97.7	Very high	94.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	124.9	-163.9	179.6	0	0	0	0	112.3	V146 V194 C376 L377 F386 C388	V146-V192 HydrophobicContact CG1-CG1 3.91Å; V192-V194 HydrophobicContact CG1-CG2 4.23Å; V192-C376 PolarHBondContact N-O 2.71Å; V192-L377 WeakPolarHBondContact CG2-O 3.39Å; V192-F386 HydrophobicContact CG1-CB 4.1Å; V192-C388 VanDerWaalsContact CA-SG 3.58Å; V192-C388 HydrophobicContact CG2-CB 3.77Å; V192-C388 VanDerWaalsContact CG2-N 3.3Å; V192-C388 WeakPolarHBondContact CG2-SG 3.46Å; V192-C388 PolarHBondContact N-SG 2.99Å
193	V	97.8	Very high	95.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.6	167.7	-177.4	0	0	0	0	109.7	V146 V147 K149 I155 L166 L185 G191 F195	V146-V193 WeakPolarHBondContact CA-O 3.5Å; V147-V193 HydrophobicContact CG2-CB 3.94Å; V147-V193 PolarHBondContact N-O 3.32Å; V147-V193 PolarHBondContact O-N 2.88Å; K149-V193 HydrophobicContact CB-CG2 3.77Å; K149-V193 HydrophobicContact CD-CG2 4.25Å; I155-V193 HydrophobicContact CD1-CB 4.5Å; I155-V193 HydrophobicContact CD1-CG1 3.9Å; I155-V193 HydrophobicContact CD1-CG2 3.76Å; L166-V193 HydrophobicContact CD2-CB 4.3Å; L166-V193 HydrophobicContact CD2-CG1 4.2Å; L166-V193 HydrophobicContact CD2-CG2 4.23Å; L185-V193 HydrophobicContact CB-CG2 4.13Å; L185-V193 HydrophobicContact CD2-CG2 3.9Å; G191-V193 PolarHBondContact O-N 3.09Å; V193-F195 HydrophobicContact CB-CE2 4.27Å; V193-F195 HydrophobicContact CG1-CD2 4.01Å; V193-F195 HydrophobicContact CG1-CE1 4.39Å; V193-F195 HydrophobicContact CG1-CE2 3.52Å; V193-F195 HydrophobicContact CG1-CZ 3.75Å
194	V	96.9	Very high	95.5	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.7	175.5	-176.5	0	0	0	0	109.6	V146 Y183 V192 L196 F205 F386	V146-V194 HydrophobicContact CG1-CG2 4.29Å; V146-V194 HydrophobicContact CG2-CG1 4.45Å; V146-V194 HydrophobicContact CG2-CG2 4.24Å; Y183-V194 HydrophobicContact CE1-CB 4.37Å; Y183-V194 WeakPolarHBondContact OH-CG2 3.32Å; Y183-V194 PolarHBondContact OH-N 2.8Å; V192-V194 HydrophobicContact CG1-CG2 4.23Å; V194-L196 HydrophobicContact CG1-CD2 4.19Å; V194-F205 HydrophobicContact CG1-CE1 3.93Å; V194-F205 HydrophobicContact CG1-CZ 4.34Å; V194-F386 HydrophobicContact CG1-CE2 4.31Å; V194-F386 HydrophobicContact CG2-CD2 3.56Å; V194-F386 HydrophobicContact CG2-CE2 4.02Å; V194-F386 HydrophobicContact CG2-CG 4.45Å
195	F	97.7	Very high	95.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.9	169.8	-67.5	-79.9	0	0	0	111.1	L144 L145 V147 I155 L166 T167 L170 L179 K180 V193	L144-F195 CarbonylContact C-O 3.38Å; L144-F195 VanDerWaalsContact CA-O 3.26Å; L144-F195 WeakPolarHBondContact CA-O 3.29Å; L144-F195 WeakPolarHBondContact CB-O 3.32Å; L145-F195 HydrophobicContact CB-CB 4.27Å; L145-F195 PolarHBondContact N-O 3Å; L145-F195 PolarHBondContact O-N 3.43Å; V147-F195 HydrophobicContact CG2-CD2 4.27Å; V147-F195 HydrophobicContact CG2-CE2 3.89Å; I155-F195 HydrophobicContact CG2-CE1 4.16Å; I155-F195 HydrophobicContact CG2-CZ 4.19Å; L166-F195 HydrophobicContact CD2-CE2 3.63Å; L166-F195 HydrophobicContact CD2-CZ 3.61Å; L166-F195 HydrophobicContact CG-CE2 4.07Å; L166-F195 HydrophobicContact CG-CZ 3.95Å; T167-F195 HydrophobicContact CG2-CE1 3.7Å; T167-F195 HydrophobicContact CG2-CZ 4.11Å; L170-F195 HydrophobicContact CD1-CD2 3.93Å; L170-F195 HydrophobicContact CD1-CE2 3.45Å; L170-F195 VanDerWaalsContact CD1-CE2 3.45Å; L170-F195 HydrophobicContact CD1-CZ 3.98Å; L179-F195 HydrophobicContact CB-CB 4.07Å; L179-F195 HydrophobicContact CB-CD1 3.77Å; L179-F195 HydrophobicContact CB-CE1 4.47Å; L179-F195 HydrophobicContact CB-CG 4.1Å; L179-F195 HydrophobicContact CD1-CB 4.18Å; L179-F195 HydrophobicContact CD1-CD1 4.23Å; L179-F195 HydrophobicContact CD1-CD2 4.24Å; L179-F195 HydrophobicContact CD1-CG 3.97Å; L179-F195 HydrophobicContact CD2-CB 3.96Å; L179-F195 HydrophobicContact CG-CB 4.3Å; L179-F195 HydrophobicContact CG-CG 4.47Å; K180-F195 CarbonylContact O-C 3.47Å; K180-F195 VanDerWaalsContact O-CA 3.28Å; K180-F195 WeakPolarHBondContact O-CA 3.33Å; V193-F195 HydrophobicContact CB-CE2 4.27Å; V193-F195 HydrophobicContact CG1-CD2 4.01Å; V193-F195 HydrophobicContact CG1-CE1 4.39Å; V193-F195 HydrophobicContact CG1-CE2 3.52Å; V193-F195 HydrophobicContact CG1-CZ 3.75Å
196	L	96.9	Very high	95.5	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.1	178.2	-49.9	177.4	0	0	0	108.9	L144 K180 L182 V194 M201 E202 F205	L144-L196 HydrophobicContact CB-CD2 4.41Å; K180-L196 HydrophobicContact CB-CB 4.39Å; K180-L196 PolarHBondContact N-O 2.8Å; K180-L196 PolarHBondContact O-N 3.49Å; L182-L196 HydrophobicContact CD1-CD1 3.94Å; L182-L196 HydrophobicContact CD2-CD1 4.28Å; L182-L196 HydrophobicContact CG-CD1 3.8Å; V194-L196 HydrophobicContact CG1-CD2 4.19Å; L196-M201 HydrophobicContact CD2-CB 4.33Å; L196-E202 HydrophobicContact CD1-CB 4.25Å; L196-F205 HydrophobicContact CD1-CB 3.88Å; L196-F205 HydrophobicContact CD1-CG 4.17Å; L196-F205 HydrophobicContact CD2-CD1 4.09Å; L196-F205 HydrophobicContact CD2-CD2 3.99Å; L196-F205 HydrophobicContact CD2-CE1 4.27Å; L196-F205 HydrophobicContact CD2-CE2 4.19Å; L196-F205 HydrophobicContact CD2-CG 3.96Å; L196-F205 HydrophobicContact CD2-CZ 4.32Å
197	K	96	Very high	95.4	Very high	67 Å²	67	44.5 Å²	44.5	29%	0.291	21%	0.21	S	C	.	.			trans	-98	-22.8	-176.8	-65.1	-178.7	175.7	-176	0	113.4	N140 T141 D143 L144 L179	N140-K197 PolarHBondContact OD1-NZ 2.74Å; T141-K197 WeakPolarHBondContact O-CD 3.48Å; T141-K197 WeakPolarHBondContact O-CE 3.22Å; T141-K197 PolarHBondContact O-NZ 2.84Å; D143-K197 PolarHBondContact O-N 2.88Å; L144-K197 WeakPolarHBondContact O-CE 3.37Å; L179-K197 HydrophobicContact CD2-CG 4.11Å
198	N	94	Very high	95.4	Very high	47 Å²	47	43.4 Å²	43.4	25%	0.251	21%	0.207	S	C	.	.	S	Bend	trans	-136.3	162.8	-178.4	70.5	62.9	0	0	0	113.7	D143 Q200 M201 E202	D143-N198 WeakPolarHBondContact CA-ND2 3.28Å; D143-N198 PolarHBondContact OD1-ND2 3.07Å; N198-Q200 VanDerWaalsContact C-N 3.34Å; N198-Q200 PolarHBondContact O-N 3.13Å; N198-Q200 WeakPolarHBondContact OD1-CB 3.41Å; N198-Q200 PolarHBondContact OD1-N 2.86Å; N198-Q200 VanDerWaalsContact OD1-N 3.08Å; N198-M201 PolarHBondContact O-N 3.15Å; N198-M201 PolarHBondContact OD1-N 3.35Å; N198-E202 PolarHBondContact O-N 3.19Å; N198-E202 VanDerWaalsContact O-N 3.1Å
199	A	93.9	Very high	95.1	Very high	75 Å²	75	46.8 Å²	46.8	62%	0.62	23%	0.225	S	C	*	.	H	α-helix	trans	-69.8	-26.3	-174.9	0	0	0	0	0	113.9	E202 K203	A199-E202 PolarHBondContact O-N 2.96Å; A199-K203 PolarHBondContact O-N 3.48Å
200	Q	94.4	Very high	94.7	Very high	164 Å²	164	53 Å²	53	77%	0.766	26%	0.258	S	S	*	.	H	α-helix	trans	-67.2	-46.8	178	-61.1	-175.8	8.2	0	0	109.9	N198 K203 R204	N198-Q200 VanDerWaalsContact C-N 3.34Å; N198-Q200 PolarHBondContact O-N 3.13Å; N198-Q200 WeakPolarHBondContact OD1-CB 3.41Å; N198-Q200 PolarHBondContact OD1-N 2.86Å; N198-Q200 VanDerWaalsContact OD1-N 3.08Å; Q200-K203 PolarHBondContact O-N 2.8Å; Q200-R204 PolarHBondContact O-N 3.44Å
201	M	93.5	Very high	94.4	Very high	16 Å²	16	57.6 Å²	57.6	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-65.4	-38.4	175	-68.7	-60.3	-74.9	0	0	112.5	D143 L144 L196 N198 K203 R204 F205	D143-M201 HydrophobicContact CB-CE 4.16Å; D143-M201 HydrophobicContact CB-CG 3.67Å; D143-M201 HydrophobicContact CB-SD 4.17Å; L144-M201 HydrophobicContact CD2-CE 3.9Å; L196-M201 HydrophobicContact CD2-CB 4.33Å; N198-M201 PolarHBondContact O-N 3.15Å; N198-M201 PolarHBondContact OD1-N 3.35Å; M201-K203 VanDerWaalsContact C-N 3.32Å; M201-K203 PolarHBondContact O-N 3.26Å; M201-R204 PolarHBondContact O-N 3.24Å; M201-F205 HydrophobicContact CE-CD2 4.12Å; M201-F205 HydrophobicContact CE-CE2 3.55Å; M201-F205 PolarHBondContact O-N 3.13Å
202	E	93.8	Very high	93.9	Very high	48 Å²	48	62.4 Å²	62.4	22%	0.224	32%	0.315	C	S	.	.	H	α-helix	trans	-55.6	-46.6	172.2	-168.7	-174.3	152.5	0	0	112	L182 L196 N198 A199 R206	L182-E202 HydrophobicContact CD2-CG 4.26Å; L196-E202 HydrophobicContact CD1-CB 4.25Å; N198-E202 PolarHBondContact O-N 3.19Å; N198-E202 VanDerWaalsContact O-N 3.1Å; A199-E202 PolarHBondContact O-N 2.96Å; E202-R206 WeakPolarHBondContact O-CB 3.15Å; E202-R206 PolarHBondContact O-N 3.14Å; E202-R206 IonicContact OE1-CZ 3.94Å; E202-R206 IonicContact OE1-NH1 3.95Å; E202-R206 IonicContact OE1-NH2 2.63Å; E202-R206 PolarHBondContact OE1-NH2 2.89Å
203	K	94.4	Very high	93.6	Very high	139 Å²	139	65.9 Å²	65.9	60%	0.604	33%	0.333	S	S	*	.	H	α-helix	trans	-63.3	-46.2	177.9	-174	-179.4	177.9	-175.8	0	111.5	A199 Q200 M201 R206 Q207	A199-K203 PolarHBondContact O-N 3.48Å; Q200-K203 PolarHBondContact O-N 2.8Å; M201-K203 VanDerWaalsContact C-N 3.32Å; M201-K203 PolarHBondContact O-N 3.26Å; K203-R206 PolarHBondContact O-N 2.77Å; K203-Q207 WeakPolarHBondContact O-CG 3.41Å; K203-Q207 PolarHBondContact O-N 3.38Å; K203-Q207 VanDerWaalsContact O-N 3.07Å
204	R	93.6	Very high	93.4	Very high	85 Å²	85	66.7 Å²	66.7	32%	0.321	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-51.8	180	176.3	174.5	165.7	-159.8	-7.5	112.1	Q200 M201 R206 Q207 H208 D383	Q200-R204 PolarHBondContact O-N 3.44Å; M201-R204 PolarHBondContact O-N 3.24Å; R204-R206 VanDerWaalsContact C-N 3.31Å; R204-R206 PolarHBondContact O-N 3.08Å; R204-Q207 WeakPolarHBondContact O-CB 3.28Å; R204-Q207 PolarHBondContact O-N 3.42Å; R204-Q207 VanDerWaalsContact O-N 3.11Å; R204-H208 PolarHBondContact O-N 3.49Å; R204-H208 VanDerWaalsContact O-N 3.08Å; R204-D383 IonicContact CZ-OD1 3.47Å; R204-D383 IonicContact CZ-OD2 2.74Å; R204-D383 IonicContact NE-OD2 2.86Å; R204-D383 IonicContact NH2-OD1 2.67Å; R204-D383 PolarHBondContact NH2-OD1 2.87Å; R204-D383 IonicContact NH2-OD2 3.78Å; R204-D383 PolarHBondContact NH2-OD2 3.24Å
205	F	93.5	Very high	93.4	Very high	5 Å²	5	73.7 Å²	73.7	2%	0.022	37%	0.368	C	S	.	.	H	α-helix	trans	-67	-32.4	179.8	-87.6	-117.9	0	0	0	112.3	L144 L182 V194 L196 M201 Q207 H208 L209 W384 F386	L144-F205 HydrophobicContact CD2-CZ 4.26Å; L182-F205 HydrophobicContact CD1-CB 3.24Å; L182-F205 HydrophobicContact CD1-CG 4.37Å; L182-F205 HydrophobicContact CG-CB 4.45Å; V194-F205 HydrophobicContact CG1-CE1 3.93Å; V194-F205 HydrophobicContact CG1-CZ 4.34Å; L196-F205 HydrophobicContact CD1-CB 3.88Å; L196-F205 HydrophobicContact CD1-CG 4.17Å; L196-F205 HydrophobicContact CD2-CD1 4.09Å; L196-F205 HydrophobicContact CD2-CD2 3.99Å; L196-F205 HydrophobicContact CD2-CE1 4.27Å; L196-F205 HydrophobicContact CD2-CE2 4.19Å; L196-F205 HydrophobicContact CD2-CG 3.96Å; L196-F205 HydrophobicContact CD2-CZ 4.32Å; M201-F205 HydrophobicContact CE-CD2 4.12Å; M201-F205 HydrophobicContact CE-CE2 3.55Å; M201-F205 PolarHBondContact O-N 3.13Å; F205-Q207 VanDerWaalsContact C-N 3.31Å; F205-Q207 PolarHBondContact O-N 3.17Å; F205-H208 PolarHBondContact O-N 3.33Å; F205-L209 PolarHBondContact O-N 2.95Å; F205-W384 HydrophobicContact CD1-CH2 4.39Å; F205-W384 AromaticContact CD1-CZ2 3.86Å; F205-W384 HydrophobicContact CD1-CZ2 3.86Å; F205-W384 HydrophobicContact CE1-CD2 4.17Å; F205-W384 AromaticContact CE1-CE2 3.58Å; F205-W384 HydrophobicContact CE1-CE3 4.45Å; F205-W384 AromaticContact CE1-CH2 3.71Å; F205-W384 HydrophobicContact CE1-CH2 3.71Å; F205-W384 AromaticContact CE1-CZ2 3.35Å; F205-W384 HydrophobicContact CE1-CZ2 3.35Å; F205-W384 HydrophobicContact CE1-CZ3 4.24Å; F205-W384 AromaticContact CE2-NE1 3.98Å; F205-W384 AromaticContact CZ-CD2 3.88Å; F205-W384 HydrophobicContact CZ-CD2 3.88Å; F205-W384 AromaticContact CZ-CE2 3.54Å; F205-W384 HydrophobicContact CZ-CE3 4.43Å; F205-W384 HydrophobicContact CZ-CG 4.25Å; F205-W384 HydrophobicContact CZ-CH2 4.4Å; F205-W384 AromaticContact CZ-CZ2 3.84Å; F205-W384 HydrophobicContact CZ-CZ2 3.84Å; F205-W384 AromaticContact CZ-NE1 3.71Å; F205-F386 HydrophobicContact CZ-CE2 4.42Å
206	R	93.5	Very high	93.3	Very high	118 Å²	118	74.8 Å²	74.8	45%	0.445	37%	0.373	S	S	.	.	H	α-helix	trans	-61.8	-40	171.9	-176.1	-177.9	-68.6	142.5	2.8	111.3	E202 K203 R204 L209 L210	E202-R206 WeakPolarHBondContact O-CB 3.15Å; E202-R206 PolarHBondContact O-N 3.14Å; E202-R206 IonicContact OE1-CZ 3.94Å; E202-R206 IonicContact OE1-NH1 3.95Å; E202-R206 IonicContact OE1-NH2 2.63Å; E202-R206 PolarHBondContact OE1-NH2 2.89Å; K203-R206 PolarHBondContact O-N 2.77Å; R204-R206 VanDerWaalsContact C-N 3.31Å; R204-R206 PolarHBondContact O-N 3.08Å; R206-L209 PolarHBondContact O-N 3.06Å; R206-L210 HydrophobicContact CG-CD1 4.22Å; R206-L210 VanDerWaalsContact O-CG 3.29Å; R206-L210 WeakPolarHBondContact O-CG 3.44Å; R206-L210 PolarHBondContact O-N 2.87Å
207	Q	93.6	Very high	93.4	Very high	101 Å²	101	75.8 Å²	75.8	47%	0.472	38%	0.377	S	S	.	.	H	α-helix	trans	-63.1	-42.5	173.6	-71.6	174.6	-25.8	0	0	111.8	K203 R204 F205 L209 L210 N211	K203-Q207 WeakPolarHBondContact O-CG 3.41Å; K203-Q207 PolarHBondContact O-N 3.38Å; K203-Q207 VanDerWaalsContact O-N 3.07Å; R204-Q207 WeakPolarHBondContact O-CB 3.28Å; R204-Q207 PolarHBondContact O-N 3.42Å; R204-Q207 VanDerWaalsContact O-N 3.11Å; F205-Q207 VanDerWaalsContact C-N 3.31Å; F205-Q207 PolarHBondContact O-N 3.17Å; Q207-L209 VanDerWaalsContact C-N 3.33Å; Q207-L209 PolarHBondContact O-N 3.3Å; Q207-L210 PolarHBondContact O-N 3.43Å; Q207-N211 WeakPolarHBondContact O-CB 3.15Å; Q207-N211 VanDerWaalsContact O-CG 3.25Å; Q207-N211 PolarHBondContact O-N 3.14Å
208	H	93.2	Very high	93.5	Very high	22 Å²	22	73.5 Å²	73.5	10%	0.102	37%	0.367	C	S	.	.	H	α-helix	trans	-61.4	-40.5	174.7	-61.7	-32.7	0	0	0	112.7	R204 F205 N211 S212 N213 I214 D383 W384	R204-H208 PolarHBondContact O-N 3.49Å; R204-H208 VanDerWaalsContact O-N 3.08Å; F205-H208 PolarHBondContact O-N 3.33Å; H208-N211 PolarHBondContact O-N 3.33Å; H208-S212 PolarHBondContact O-N 3.25Å; H208-N213 HydrophobicContact CB-CB 4.43Å; H208-N213 PolarHBondContact O-N 2.86Å; H208-I214 HydrophobicContact CB-CD1 4.22Å; H208-I214 HydrophobicContact CB-CG1 3.93Å; H208-D383 IonicContact NE2-OD1 3.22Å; H208-W384 AromaticContact CD2-NE1 3.58Å; H208-W384 AromaticContact NE2-NE1 3.93Å
209	L	89.1	Confident	93.7	Very high	79 Å²	79	71.3 Å²	71.3	41%	0.414	36%	0.355	S	S	.	.	H	α-helix	trans	-64.6	-44.9	176.4	-176.8	64.5	0	0	0	111.8	F205 R206 Q207 N211 S212 I214	F205-L209 PolarHBondContact O-N 2.95Å; R206-L209 PolarHBondContact O-N 3.06Å; Q207-L209 VanDerWaalsContact C-N 3.33Å; Q207-L209 PolarHBondContact O-N 3.3Å; L209-N211 VanDerWaalsContact C-N 3.34Å; L209-N211 PolarHBondContact O-N 3.12Å; L209-S212 PolarHBondContact O-N 3.34Å; L209-S212 VanDerWaalsContact O-N 3.16Å; L209-I214 HydrophobicContact CB-CD1 3.99Å; L209-I214 HydrophobicContact CD1-CD1 4.24Å
210	L	90	Very high	93.9	Very high	133 Å²	133	67.7 Å²	67.7	70%	0.696	33%	0.325	S	S	*	.	H	α-helix	trans	-63.1	-39.7	177.5	-72.3	170.6	0	0	0	112.1	R206 Q207 S212	R206-L210 HydrophobicContact CG-CD1 4.22Å; R206-L210 VanDerWaalsContact O-CG 3.29Å; R206-L210 WeakPolarHBondContact O-CG 3.44Å; R206-L210 PolarHBondContact O-N 2.87Å; Q207-L210 PolarHBondContact O-N 3.43Å; L210-S212 PolarHBondContact O-N 3.03Å
211	N	92	Very high	94.1	Very high	106 Å²	106	61.1 Å²	61.1	57%	0.567	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.2	178.1	-65	-7.7	0	0	0	113.1	Q207 H208 L209 N213	Q207-N211 WeakPolarHBondContact O-CB 3.15Å; Q207-N211 VanDerWaalsContact O-CG 3.25Å; Q207-N211 PolarHBondContact O-N 3.14Å; H208-N211 PolarHBondContact O-N 3.33Å; L209-N211 VanDerWaalsContact C-N 3.34Å; L209-N211 PolarHBondContact O-N 3.12Å; N211-N213 HydrophobicContact CB-CB 4.48Å; N211-N213 PolarHBondContact O-N 3.34Å; N211-N213 PolarHBondContact O-OD1 3.44Å
212	S	87.6	Confident	94.4	Very high	102 Å²	102	60.4 Å²	60.4	71%	0.713	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	30.9	-174.4	-56.5	0	0	0	0	113.6	H208 L209 L210 I214	H208-S212 PolarHBondContact O-N 3.25Å; L209-S212 PolarHBondContact O-N 3.34Å; L209-S212 VanDerWaalsContact O-N 3.16Å; L210-S212 PolarHBondContact O-N 3.03Å; S212-I214 VanDerWaalsContact C-N 3.29Å; S212-I214 PolarHBondContact O-N 3.45Å
213	N	89.9	Confident	94.5	Very high	73 Å²	73	60.9 Å²	60.9	39%	0.39	29%	0.294	S	S	.	.			trans	-87.3	4.5	-178.7	-73.9	-4.5	0	0	0	113.3	H208 N211 P382	H208-N213 HydrophobicContact CB-CB 4.43Å; H208-N213 PolarHBondContact O-N 2.86Å; N211-N213 HydrophobicContact CB-CB 4.48Å; N211-N213 PolarHBondContact O-N 3.34Å; N211-N213 PolarHBondContact O-OD1 3.44Å; N213-P382 HydrophobicContact CB-CG 3.95Å
214	I	94.1	Very high	94.6	Very high	17 Å²	17	55.6 Å²	55.6	9%	0.087	28%	0.279	C	S	.	.			trans	-97.2	112.9	178.9	-58.3	177.8	0	0	0	108.8	H208 L209 S212 K216 Y379 S380 W384	H208-I214 HydrophobicContact CB-CD1 4.22Å; H208-I214 HydrophobicContact CB-CG1 3.93Å; L209-I214 HydrophobicContact CB-CD1 3.99Å; L209-I214 HydrophobicContact CD1-CD1 4.24Å; S212-I214 VanDerWaalsContact C-N 3.29Å; S212-I214 PolarHBondContact O-N 3.45Å; I214-K216 HydrophobicContact CG2-CG 4.25Å; I214-Y379 HydrophobicContact CG2-CD1 3.76Å; I214-Y379 HydrophobicContact CG2-CE1 4.09Å; I214-S380 CarbonylContact C-O 3.57Å; I214-S380 WeakPolarHBondContact CA-O 3.44Å; I214-W384 HydrophobicContact CD1-CZ2 4.48Å; I214-W384 HydrophobicContact CG1-CZ2 4.23Å; I214-W384 HydrophobicContact CG2-CH2 4.21Å
215	K	96	Very high	94.8	Very high	148 Å²	148	57.1 Å²	57.1	64%	0.643	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	138.1	171.1	-64.3	176.2	-176.5	176.7	0	109	Y379 S380	K215-Y379 WeakPolarHBondContact O-CA 3.32Å; K215-S380 WeakPolarHBondContact CB-OG 3.45Å; K215-S380 PolarHBondContact N-O 3.02Å; K215-S380 PolarHBondContact O-N 3.36Å
216	K	96.9	Very high	95	Very high	24 Å²	24	56.9 Å²	56.9	10%	0.104	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.2	-175.3	-49.5	164.9	-131.9	162.7	0	107.2	I214 Y218 P276 Q277 T278 Y379	I214-K216 HydrophobicContact CG2-CG 4.25Å; K216-Y218 HydrophobicContact CB-CD2 4.42Å; K216-Y218 HydrophobicContact CB-CE2 3.81Å; K216-P276 HydrophobicContact CB-CG 4.2Å; K216-Q277 PolarHBondContact NZ-O 2.67Å; K216-Q277 VanDerWaalsContact NZ-O 3.07Å; K216-T278 PolarHBondContact NZ-O 3.12Å; K216-Y379 HydrophobicContact CB-CD2 4.37Å; K216-Y379 HydrophobicContact CB-CE2 3.83Å; K216-Y379 HydrophobicContact CD-CE1 4.29Å; K216-Y379 HydrophobicContact CG-CD1 4.36Å; K216-Y379 HydrophobicContact CG-CD2 4.48Å; K216-Y379 HydrophobicContact CG-CE1 3.81Å; K216-Y379 HydrophobicContact CG-CE2 3.9Å
217	E	98.1	Very high	95.2	Very high	22 Å²	22	53.2 Å²	53.2	10%	0.103	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.3	-178.2	-49.7	-173.2	-126.7	0	0	108.4	K273 L275 L377 R378	E217-K273 WeakPolarHBondContact OE2-CE 3.43Å; E217-K273 IonicContact OE2-NZ 3.86Å; E217-K273 PolarHBondContact OE2-NZ 2.93Å; E217-L275 HydrophobicContact CB-CD2 4.14Å; E217-L275 HydrophobicContact CG-CD2 3.67Å; E217-L377 PolarHBondContact O-N 2.92Å; E217-R378 HydrophobicContact CB-CB 4.01Å; E217-R378 HydrophobicContact CG-CB 4.26Å; E217-R378 PolarHBondContact N-O 2.73Å; E217-R378 PolarHBondContact O-N 3.32Å; E217-R378 VanDerWaalsContact O-N 3.08Å; E217-R378 WeakPolarHBondContact OE1-CD 3.33Å; E217-R378 IonicContact OE1-CZ 2.86Å; E217-R378 IonicContact OE1-NH1 3.79Å; E217-R378 PolarHBondContact OE1-NH1 3.38Å; E217-R378 IonicContact OE2-NH1 3.93Å; E217-R378 PolarHBondContact OE2-NH1 2.65Å
218	Y	98.7	Very high	95.4	Very high	20 Å²	20	54.4 Å²	54.4	8%	0.078	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156	176.9	-65.5	-104.3	0	0	0	109.2	L185 T189 K216 K273 C274 P276 I284 L374 H375 C376 Y379	L185-Y218 HydrophobicContact CD1-CE1 3.87Å; T189-Y218 HydrophobicContact CG2-CE1 4.3Å; K216-Y218 HydrophobicContact CB-CD2 4.42Å; K216-Y218 HydrophobicContact CB-CE2 3.81Å; Y218-K273 CarbonylContact O-C 3.46Å; Y218-K273 WeakPolarHBondContact O-CA 3.43Å; Y218-C274 PolarHBondContact N-O 2.9Å; Y218-C274 PolarHBondContact O-N 3.33Å; Y218-P276 HydrophobicContact CD2-CG 3.87Å; Y218-P276 HydrophobicContact CE2-CG 3.78Å; Y218-I284 HydrophobicContact CD1-CD1 3.92Å; Y218-I284 HydrophobicContact CD2-CD1 3.55Å; Y218-I284 HydrophobicContact CE1-CD1 4.42Å; Y218-I284 HydrophobicContact CE2-CD1 4.09Å; Y218-I284 HydrophobicContact CG-CD1 3.47Å; Y218-I284 VanDerWaalsContact CG-CD1 3.47Å; Y218-L374 HydrophobicContact CD1-CD1 4.21Å; Y218-H375 CarbonylContact C-O 3.57Å; Y218-H375 WeakPolarHBondContact CA-O 3.38Å; Y218-H375 WeakPolarHBondContact CB-O 3.34Å; Y218-C376 VanDerWaalsContact CD1-CA 3.48Å; Y218-C376 HydrophobicContact CD1-CB 3.78Å; Y218-C376 HydrophobicContact CE1-CB 3.45Å; Y218-C376 VanDerWaalsContact CE1-CB 3.45Å; Y218-Y379 HydrophobicContact CE2-CE2 4.23Å; Y218-Y379 PolarHBondContact OH-OH 3.04Å
219	I	98.4	Very high	95.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.7	167.4	-62.6	177.8	0	0	0	106.9	L263 I271 V272 H375 L377 L390 W393 L397 Y404	I219-L263 HydrophobicContact CD1-CD1 4.17Å; I219-L263 HydrophobicContact CG1-CD1 4.24Å; I219-I271 HydrophobicContact CG2-CG2 3.37Å; I219-V272 CarbonylContact C-O 3.53Å; I219-V272 WeakPolarHBondContact CA-O 3.37Å; I219-H375 PolarHBondContact N-O 3.4Å; I219-H375 PolarHBondContact O-N 2.83Å; I219-L377 HydrophobicContact CD1-CB 4.34Å; I219-L377 HydrophobicContact CD1-CD1 4.33Å; I219-L377 HydrophobicContact CD1-CD2 3.44Å; I219-L377 VanDerWaalsContact CD1-CD2 3.44Å; I219-L377 HydrophobicContact CD1-CG 4.24Å; I219-L377 HydrophobicContact CG1-CB 4.28Å; I219-L377 HydrophobicContact CG1-CD2 3.99Å; I219-L390 HydrophobicContact CD1-CD2 3.47Å; I219-L390 VanDerWaalsContact CD1-CD2 3.47Å; I219-W393 HydrophobicContact CB-CH2 4.18Å; I219-W393 HydrophobicContact CG2-CH2 3.63Å; I219-W393 HydrophobicContact CG2-CZ3 3.69Å; I219-L397 HydrophobicContact CD1-CD1 4.12Å; I219-Y404 HydrophobicContact CD1-CD2 4.46Å
220	C	98.2	Very high	96	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	157.4	170.2	60.9	0	0	0	0	112.8	I271 V272 C274 L288 I295 S373 L374	C220-I271 WeakPolarHBondContact O-CA 3.38Å; C220-V272 PolarHBondContact N-O 2.66Å; C220-V272 PolarHBondContact O-N 3.08Å; C220-C274 PolarHBondContact SG-SG 2.99Å; C220-L288 WeakPolarHBondContact SG-CD1 3.41Å; C220-I295 HydrophobicContact CB-CD1 4.47Å; C220-I295 HydrophobicContact CB-CG1 4.09Å; C220-S373 CarbonylContact C-O 3.55Å; C220-S373 WeakPolarHBondContact CA-O 3.47Å; C220-S373 WeakPolarHBondContact CB-O 3.47Å; C220-L374 HydrophobicContact CB-CB 4.49Å; C220-L374 HydrophobicContact CB-CD1 3.84Å
221	L	98.6	Very high	96.4	Very high	26 Å²	26	56.6 Å²	56.6	14%	0.136	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.8	169.2	-173.2	64.8	0	0	0	109	L269 S270 I271 I295 I296 S373 W393	L221-L269 HydrophobicContact CD1-CB 4.05Å; L221-L269 HydrophobicContact CD2-CD1 4.39Å; L221-S270 WeakPolarHBondContact CA-O 3.47Å; L221-I271 HydrophobicContact CD1-CG1 3.81Å; L221-I295 WeakPolarHBondContact O-CA 3.2Å; L221-I296 HydrophobicContact CB-CG2 4.26Å; L221-I296 HydrophobicContact CD2-CG2 3.94Å; L221-I296 HydrophobicContact CG-CG2 4Å; L221-I296 PolarHBondContact O-N 2.82Å; L221-S373 PolarHBondContact N-O 3.3Å; L221-W393 HydrophobicContact CB-CD2 4.48Å; L221-W393 HydrophobicContact CB-CE3 3.92Å; L221-W393 HydrophobicContact CB-CZ3 4.09Å
222	V	98.6	Very high	96.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	154.6	-174.9	-57.3	0	0	0	0	112	F226 L269 S270 V272 L288 Y293 P294 I295	V222-F226 HydrophobicContact CG2-CD2 4.16Å; V222-L269 WeakPolarHBondContact O-CA 3.45Å; V222-S270 WeakPolarHBondContact CG2-O 3.2Å; V222-S270 PolarHBondContact N-O 3.37Å; V222-S270 PolarHBondContact O-N 3.41Å; V222-V272 HydrophobicContact CG1-CG2 4.49Å; V222-V272 HydrophobicContact CG2-CG2 3.66Å; V222-L288 HydrophobicContact CG1-CD1 3.84Å; V222-L288 HydrophobicContact CG1-CD2 4.17Å; V222-Y293 WeakPolarHBondContact CB-O 3.25Å; V222-Y293 WeakPolarHBondContact CG1-O 3.39Å; V222-P294 WeakPolarHBondContact CA-O 3.33Å; V222-I295 HydrophobicContact CG1-CG1 4.32Å
223	E	97.2	Very high	97.2	Very high	59 Å²	59	50.1 Å²	50.1	28%	0.276	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	145	168.4	-68.8	-169.3	171.8	0	0	111.4	Y293 P294 I296 N302 K310	E223-Y293 WeakPolarHBondContact O-CD1 3.43Å; E223-P294 PolarHBondContact N-O 3.06Å; E223-I296 HydrophobicContact CG-CB 4.39Å; E223-I296 HydrophobicContact CG-CG1 4.18Å; E223-N302 PolarHBondContact OE1-ND2 2.75Å; E223-N302 PolarHBondContact OE1-OD1 3.47Å; E223-K310 IonicContact OE1-NZ 2.92Å; E223-K310 PolarHBondContact OE1-NZ 3.01Å; E223-K310 IonicContact OE2-NZ 3.7Å; E223-K310 PolarHBondContact OE2-NZ 3.18Å
224	G	96.7	Very high	97.6	Very high	28 Å²	28	51.4 Å²	51.4	29%	0.289	27%	0.267	S	S	.	.	S	Bend	trans	85.3	171.1	173.2	0	0	0	0	0	114.6	F226 K268 L269 S270	G224-F226 PolarHBondContact O-N 3.12Å; G224-K268 CarbonylContact C-O 3.45Å; G224-K268 WeakPolarHBondContact CA-O 3.34Å; G224-K268 PolarHBondContact N-O 2.82Å; G224-L269 CarbonylContact O-C 3.52Å; G224-S270 PolarHBondContact O-N 2.9Å; G224-S270 PolarHBondContact O-OG 3.28Å
225	Q	97.4	Very high	97.8	Very high	117 Å²	117	53.4 Å²	53.4	55%	0.547	28%	0.276	S	S	.	.			trans	-83.6	104.1	171.9	-172.8	177.5	-1	0	0	109.4	T265 Y293	Q225-T265 HydrophobicContact CG-CG2 4.38Å; Q225-Y293 WeakPolarHBondContact O-CE1 3.01Å
226	F	98	Very high	97.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.			trans	-67	143.3	176.6	-153.6	-92.3	0	0	0	109.6	V222 G224 L231 F260 K262 S270 V272 L288 Y293	V222-F226 HydrophobicContact CG2-CD2 4.16Å; G224-F226 PolarHBondContact O-N 3.12Å; F226-L231 HydrophobicContact CE1-CB 4.12Å; F226-L231 HydrophobicContact CE1-CD1 3.95Å; F226-L231 HydrophobicContact CE1-CG 3.97Å; F226-L231 HydrophobicContact CE2-CD1 4.29Å; F226-L231 HydrophobicContact CZ-CB 4.04Å; F226-L231 HydrophobicContact CZ-CD1 3.72Å; F226-L231 HydrophobicContact CZ-CG 4.12Å; F226-F260 HydrophobicContact CE1-CB 3.85Å; F226-F260 HydrophobicContact CZ-CB 3.48Å; F226-F260 VanDerWaalsContact CZ-CB 3.48Å; F226-F260 HydrophobicContact CZ-CG 4.2Å; F226-K262 HydrophobicContact CB-CB 4.21Å; F226-K262 HydrophobicContact CB-CD 4.21Å; F226-K262 HydrophobicContact CB-CG 4.37Å; F226-K262 HydrophobicContact CD1-CB 4.04Å; F226-K262 VanDerWaalsContact O-CD 3.26Å; F226-K262 WeakPolarHBondContact O-CD 3.32Å; F226-K262 VanDerWaalsContact O-CE 3.25Å; F226-K262 WeakPolarHBondContact O-CE 3.3Å; F226-K262 PolarHBondContact O-NZ 3.1Å; F226-S270 PolarHBondContact N-OG 3.03Å; F226-V272 HydrophobicContact CB-CG2 3.96Å; F226-V272 HydrophobicContact CD1-CG2 4.12Å; F226-V272 HydrophobicContact CD2-CG2 3.68Å; F226-V272 HydrophobicContact CE1-CG1 4.22Å; F226-V272 HydrophobicContact CE2-CG1 4.32Å; F226-V272 HydrophobicContact CE2-CG2 4.16Å; F226-V272 HydrophobicContact CG-CG2 3.64Å; F226-V272 HydrophobicContact CZ-CG1 4.11Å; F226-L288 HydrophobicContact CE2-CD2 4.01Å; F226-Y293 AromaticContact CD2-CD1 3.98Å; F226-Y293 HydrophobicContact CD2-CD1 3.98Å; F226-Y293 AromaticContact CD2-CD2 3.81Å; F226-Y293 HydrophobicContact CD2-CD2 3.81Å; F226-Y293 HydrophobicContact CD2-CE1 4.46Å; F226-Y293 HydrophobicContact CD2-CE2 4.3Å; F226-Y293 AromaticContact CD2-CG 3.64Å; F226-Y293 HydrophobicContact CD2-CG 3.64Å; F226-Y293 AromaticContact CE2-CD2 3.75Å; F226-Y293 HydrophobicContact CE2-CD2 3.75Å; F226-Y293 HydrophobicContact CE2-CE2 4.38Å; F226-Y293 AromaticContact CE2-CG 3.94Å; F226-Y293 HydrophobicContact CE2-CG 3.94Å
227	P	97.4	Very high	98	Very high	41 Å²	41	46.7 Å²	46.7	27%	0.266	25%	0.25	S	C	.	.			trans	-61.1	153.6	-180	-28	39.9	0	0	0	112.9	L231 K262	P227-L231 HydrophobicContact CG-CD1 3.9Å; P227-L231 HydrophobicContact CG-CD2 4.38Å; P227-L231 HydrophobicContact CG-CG 4.25Å; P227-K262 WeakPolarHBondContact O-CB 3.48Å
228	D	96.4	Very high	97.9	Very high	126 Å²	126	48 Å²	48	67%	0.674	26%	0.257	S	S	*	.	S	Bend	trans	-69.5	-35.8	175.1	-65.4	-50.3	0	0	0	112.1	K262	D228-K262 WeakPolarHBondContact OD1-CE 3.39Å; D228-K262 IonicContact OD1-NZ 2.7Å; D228-K262 PolarHBondContact OD1-NZ 3.08Å; D228-K262 IonicContact OD2-NZ 3.89Å
229	N	97.1	Very high	97.7	Very high	133 Å²	133	50.4 Å²	50.4	71%	0.711	27%	0.267	S	S	*	.	S	Bend	trans	-73.3	150	176.3	-64.6	-29	0	0	0	110.9	L231	N229-L231 PolarHBondContact O-N 3.28Å
230	E	97.9	Very high	97.4	Very high	101 Å²	101	50.7 Å²	50.7	47%	0.472	27%	0.268	S	S	.	.			trans	-57.9	133	171.9	-176	176.5	97	0	0	110.3	R259 F260	E230-R259 HydrophobicContact CG-CB 4.47Å; E230-R259 WeakPolarHBondContact OE1-CD 3.5Å; E230-R259 IonicContact OE1-NE 2.62Å; E230-F260 WeakPolarHBondContact CA-O 3.44Å; E230-F260 WeakPolarHBondContact CG-O 3.38Å
231	L	98	Very high	96.8	Very high	46 Å²	46	51.2 Å²	51.2	24%	0.241	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	147.6	169.3	-66.2	-168.8	0	0	0	110.1	F226 P227 N229 F260 L291 Y293	F226-L231 HydrophobicContact CE1-CB 4.12Å; F226-L231 HydrophobicContact CE1-CD1 3.95Å; F226-L231 HydrophobicContact CE1-CG 3.97Å; F226-L231 HydrophobicContact CE2-CD1 4.29Å; F226-L231 HydrophobicContact CZ-CB 4.04Å; F226-L231 HydrophobicContact CZ-CD1 3.72Å; F226-L231 HydrophobicContact CZ-CG 4.12Å; P227-L231 HydrophobicContact CG-CD1 3.9Å; P227-L231 HydrophobicContact CG-CD2 4.38Å; P227-L231 HydrophobicContact CG-CG 4.25Å; N229-L231 PolarHBondContact O-N 3.28Å; L231-F260 HydrophobicContact CB-CB 4.47Å; L231-F260 PolarHBondContact N-O 3.06Å; L231-F260 PolarHBondContact O-N 2.89Å; L231-L291 HydrophobicContact CB-CD1 4.5Å; L231-L291 HydrophobicContact CD1-CD1 4.49Å; L231-Y293 HydrophobicContact CD1-CE2 4.26Å
232	T	98.5	Very high	96	Very high	69 Å²	69	57.8 Å²	57.8	42%	0.423	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.2	174.1	62.9	0	0	0	0	110	F257 T258 R259	T232-F257 HydrophobicContact CG2-CE2 4.47Å; T232-F257 HydrophobicContact CG2-CZ 3.79Å; T232-T258 WeakPolarHBondContact CA-O 3.25Å; T232-R259 HydrophobicContact CG2-CB 4.49Å; T232-R259 HydrophobicContact CG2-CG 4.07Å
233	C	98.5	Very high	94.9	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.02	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.5	170.9	-170.8	0	0	0	0	109.3	F257 T258 F260 H287 L291	C233-F257 WeakPolarHBondContact O-CA 3.48Å; C233-T258 PolarHBondContact N-O 2.84Å; C233-T258 PolarHBondContact O-N 2.86Å; C233-F260 HydrophobicContact CB-CE2 4.08Å; C233-H287 HydrophobicContact CB-CB 3.94Å; C233-H287 PolarHBondContact O-CE1 2.73Å; C233-H287 PolarHBondContact O-ND1 3.46Å; C233-L291 HydrophobicContact CB-CD1 4.11Å; C233-L291 HydrophobicContact CB-CD2 4.4Å; C233-L291 HydrophobicContact CB-CG 4.29Å
234	D	98.3	Very high	94	Very high	100 Å²	100	59 Å²	59	54%	0.535	31%	0.306	S	S	.	.			trans	-112.8	8.5	-179.4	67.9	-16	0	0	0	112.4	C256 F257	D234-C256 CarbonylContact C-O 3.25Å; D234-C256 VanDerWaalsContact C-O 3.25Å; D234-C256 VanDerWaalsContact CA-O 3.3Å; D234-C256 WeakPolarHBondContact CA-O 3.27Å; D234-F257 HydrophobicContact CB-CD2 3.7Å; D234-F257 HydrophobicContact CB-CE2 4.26Å
235	Q	98.4	Very high	93.6	Very high	59 Å²	59	58.7 Å²	58.7	28%	0.276	30%	0.303	S	S	.	.			trans	-65.4	127.6	-173.8	-65.6	-56.6	-64.2	0	0	111	V249 C256 H287 F290	Q235-V249 HydrophobicContact CB-CB 4.44Å; Q235-V249 HydrophobicContact CB-CG1 3.77Å; Q235-V249 HydrophobicContact CB-CG2 3.78Å; Q235-V249 HydrophobicContact CG-CG1 4.24Å; Q235-C256 PolarHBondContact O-SG 2.97Å; Q235-H287 PolarHBondContact O-NE2 3.01Å; Q235-F290 HydrophobicContact CG-CD1 3.89Å; Q235-F290 HydrophobicContact CG-CD2 4.47Å; Q235-F290 HydrophobicContact CG-CE1 3.51Å; Q235-F290 HydrophobicContact CG-CE2 4.11Å; Q235-F290 HydrophobicContact CG-CG 4.36Å; Q235-F290 HydrophobicContact CG-CZ 3.62Å
236	P	98.4	Very high	93.3	Very high	29 Å²	29	53.3 Å²	53.3	19%	0.188	28%	0.278	C	S	.	.			trans	-67.3	148.6	178.5	21.3	-27.6	0	0	0	112.3	V249 S250 K254	P236-V249 WeakPolarHBondContact O-CA 3.01Å; P236-S250 CarbonylContact C-O 3.5Å; P236-S250 WeakPolarHBondContact CB-O 3.4Å; P236-S250 VanDerWaalsContact CG-O 3.24Å; P236-S250 WeakPolarHBondContact CG-O 3.44Å; P236-S250 PolarHBondContact O-N 3.22Å; P236-K254 WeakPolarHBondContact CA-O 3.28Å
237	L	98.3	Very high	93.2	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.5	-175.4	-63.8	179.3	0	0	0	112.7	M247 R248 V249 G253 K254 C256 R280 Q283 V286	L237-M247 HydrophobicContact CB-CE 4.17Å; L237-R248 WeakPolarHBondContact CA-O 3.35Å; L237-R248 WeakPolarHBondContact CD2-O 3.08Å; L237-V249 HydrophobicContact CD2-CG2 3.92Å; L237-G253 CarbonylContact O-C 3.52Å; L237-G253 VanDerWaalsContact O-CA 3.3Å; L237-G253 WeakPolarHBondContact O-CA 3.26Å; L237-K254 PolarHBondContact N-O 2.83Å; L237-K254 PolarHBondContact O-N 2.92Å; L237-C256 VanDerWaalsContact CG-SG 3.51Å; L237-R280 HydrophobicContact CD1-CB 4.37Å; L237-Q283 HydrophobicContact CD1-CB 4.05Å; L237-Q283 HydrophobicContact CD1-CG 4.07Å; L237-V286 HydrophobicContact CD1-CB 4.48Å; L237-V286 HydrophobicContact CD2-CB 3.94Å; L237-V286 HydrophobicContact CD2-CG1 3.46Å; L237-V286 VanDerWaalsContact CD2-CG1 3.46Å
238	D	97	Very high	93.1	Very high	48 Å²	48	54.5 Å²	54.5	26%	0.257	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	169.5	170.6	-160.9	11.5	0	0	0	111	L240 M247 R248	D238-L240 PolarHBondContact O-N 2.83Å; D238-M247 VanDerWaalsContact C-CE 3.45Å; D238-M247 CarbonylContact O-C 3.57Å; D238-M247 VanDerWaalsContact O-CA 3.29Å; D238-M247 WeakPolarHBondContact O-CA 3.28Å; D238-M247 WeakPolarHBondContact O-CE 2.98Å; D238-R248 PolarHBondContact N-O 3.16Å; D238-R248 PolarHBondContact O-N 3.49Å
239	Y	94.2	Very high	93.2	Very high	72 Å²	72	49.4 Å²	49.4	28%	0.282	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	129.5	175.9	-66.7	-83.4	0	0	0	110.7	R242 L246 M247	Y239-R242 HydrophobicContact CD1-CB 4.39Å; Y239-R242 HydrophobicContact CD1-CG 4.38Å; Y239-R242 HydrophobicContact CG-CB 4.34Å; Y239-R242 HydrophobicContact CG-CG 4.39Å; Y239-L246 CarbonylContact C-O 3.57Å; Y239-L246 WeakPolarHBondContact CA-O 3.46Å; Y239-M247 HydrophobicContact CD1-SD 3.57Å; Y239-M247 VanDerWaalsContact CD1-SD 3.57Å; Y239-M247 HydrophobicContact CE1-SD 3.66Å; Y239-M247 HydrophobicContact CG-SD 4.09Å
240	L	92.4	Very high	93.1	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-47.2	158.1	175.8	61	0	0	0	109.3	D238 L246 R248 F306 V320 L323 E324 V327	D238-L240 PolarHBondContact O-N 2.83Å; L240-L246 PolarHBondContact N-O 2.72Å; L240-R248 HydrophobicContact CB-CB 4.05Å; L240-R248 HydrophobicContact CB-CG 4.07Å; L240-F306 HydrophobicContact CD2-CE1 3.79Å; L240-F306 HydrophobicContact CD2-CZ 4.04Å; L240-V320 HydrophobicContact CD1-CG1 4.1Å; L240-L323 HydrophobicContact CD1-CD2 3.93Å; L240-L323 HydrophobicContact CD1-CG 4.24Å; L240-L323 HydrophobicContact CD2-CD2 4.04Å; L240-L323 HydrophobicContact CD2-CG 4.25Å; L240-E324 HydrophobicContact CD1-CB 4.35Å; L240-V327 HydrophobicContact CD2-CG1 4.48Å; L240-V327 HydrophobicContact CD2-CG2 4.14Å
241	F	84.9	Confident	93	Very high	10 Å²	10	49.8 Å²	49.8	4%	0.044	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	107.9	179	-168.1	-131.9	0	0	0	110.9	S243 M244 G245 L246 E324 R328	F241-S243 WeakPolarHBondContact CE1-OG 3.38Å; F241-S243 WeakPolarHBondContact CZ-OG 3.48Å; F241-S243 PolarHBondContact O-N 2.96Å; F241-M244 HydrophobicContact CD1-CB 3.72Å; F241-M244 HydrophobicContact CD1-CE 3.24Å; F241-M244 HydrophobicContact CD1-CG 3.36Å; F241-M244 HydrophobicContact CD1-SD 3.97Å; F241-M244 HydrophobicContact CE1-CB 4.34Å; F241-M244 HydrophobicContact CE1-CE 3.69Å; F241-M244 HydrophobicContact CE1-CG 3.52Å; F241-M244 HydrophobicContact CE1-SD 4.07Å; F241-M244 HydrophobicContact CG-CE 4.3Å; F241-M244 PolarHBondContact O-N 2.9Å; F241-G245 PolarHBondContact O-N 2.93Å; F241-G245 VanDerWaalsContact O-N 3.13Å; F241-L246 HydrophobicContact CB-CB 4.45Å; F241-L246 PolarHBondContact N-O 2.92Å; F241-L246 PolarHBondContact O-N 3.33Å; F241-L246 VanDerWaalsContact O-N 3.08Å; F241-E324 HydrophobicContact CB-CG 4.49Å; F241-E324 HydrophobicContact CD2-CG 3.95Å; F241-E324 WeakPolarHBondContact CD2-OE1 3.49Å; F241-R328 VanDerWaalsContact CE2-CZ 3.47Å; F241-R328 HydrophobicContact CZ-CG 4.46Å
242	R	82.2	Confident	92.9	Very high	165 Å²	165	55.6 Å²	55.6	62%	0.623	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-40	-166.2	-173.4	179.1	-62.4	-75.8	-4.1	113.3	Y239 M244 G245	Y239-R242 HydrophobicContact CD1-CB 4.39Å; Y239-R242 HydrophobicContact CD1-CG 4.38Å; Y239-R242 HydrophobicContact CG-CB 4.34Å; Y239-R242 HydrophobicContact CG-CG 4.39Å; R242-M244 VanDerWaalsContact C-N 3.3Å; R242-M244 PolarHBondContact O-N 2.97Å; R242-G245 PolarHBondContact O-N 3.44Å; R242-G245 VanDerWaalsContact O-N 3.15Å
243	S	75.3	Confident	92.8	Very high	60 Å²	60	53 Å²	53	42%	0.42	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-36.9	-178.7	50.1	0	0	0	0	111.7	F241 L337	F241-S243 WeakPolarHBondContact CE1-OG 3.38Å; F241-S243 WeakPolarHBondContact CZ-OG 3.48Å; F241-S243 PolarHBondContact O-N 2.96Å; S243-L337 VanDerWaalsContact O-CD2 3.24Å; S243-L337 WeakPolarHBondContact O-CD2 3.5Å
244	M	79.2	Confident	92.8	Very high	24 Å²	24	58.6 Å²	58.6	12%	0.118	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.9	175.8	-62.9	-158.9	-70.2	0	0	114.3	F241 R242 L246 V327 F331 L337	F241-M244 HydrophobicContact CD1-CB 3.72Å; F241-M244 HydrophobicContact CD1-CE 3.24Å; F241-M244 HydrophobicContact CD1-CG 3.36Å; F241-M244 HydrophobicContact CD1-SD 3.97Å; F241-M244 HydrophobicContact CE1-CB 4.34Å; F241-M244 HydrophobicContact CE1-CE 3.69Å; F241-M244 HydrophobicContact CE1-CG 3.52Å; F241-M244 HydrophobicContact CE1-SD 4.07Å; F241-M244 HydrophobicContact CG-CE 4.3Å; F241-M244 PolarHBondContact O-N 2.9Å; R242-M244 VanDerWaalsContact C-N 3.3Å; R242-M244 PolarHBondContact O-N 2.97Å; M244-L246 HydrophobicContact CB-CD1 4.33Å; M244-L246 HydrophobicContact CB-CD2 4.5Å; M244-L246 HydrophobicContact CB-CG 3.82Å; M244-L246 HydrophobicContact CE-CD1 3.7Å; M244-L246 HydrophobicContact CE-CG 4.48Å; M244-L246 PolarHBondContact O-N 3.3Å; M244-V327 HydrophobicContact CE-CG1 3.84Å; M244-F331 HydrophobicContact CE-CB 4.04Å; M244-F331 HydrophobicContact CE-CD2 4.45Å; M244-F331 HydrophobicContact SD-CB 4.11Å; M244-L337 HydrophobicContact CB-CD1 3.6Å; M244-L337 HydrophobicContact CB-CG 4.49Å; M244-L337 HydrophobicContact CG-CB 3.93Å; M244-L337 HydrophobicContact CG-CD1 3.52Å; M244-L337 HydrophobicContact CG-CD2 4.2Å; M244-L337 HydrophobicContact CG-CG 4.04Å; M244-L337 HydrophobicContact SD-CB 4.27Å; M244-L337 HydrophobicContact SD-CD1 4.08Å
245	G	86.8	Confident	92.8	Very high	21 Å²	21	58.3 Å²	58.3	22%	0.216	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	23.1	-176.1	0	0	0	0	0	113.7	F241 R242	F241-G245 PolarHBondContact O-N 2.93Å; F241-G245 VanDerWaalsContact O-N 3.13Å; R242-G245 PolarHBondContact O-N 3.44Å; R242-G245 VanDerWaalsContact O-N 3.15Å
246	L	91.8	Very high	92.8	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	134.7	178.1	-59	-171	0	0	0	110.5	Y239 L240 F241 M244 I300 V327	Y239-L246 CarbonylContact C-O 3.57Å; Y239-L246 WeakPolarHBondContact CA-O 3.46Å; L240-L246 PolarHBondContact N-O 2.72Å; F241-L246 HydrophobicContact CB-CB 4.45Å; F241-L246 PolarHBondContact N-O 2.92Å; F241-L246 PolarHBondContact O-N 3.33Å; F241-L246 VanDerWaalsContact O-N 3.08Å; M244-L246 HydrophobicContact CB-CD1 4.33Å; M244-L246 HydrophobicContact CB-CD2 4.5Å; M244-L246 HydrophobicContact CB-CG 3.82Å; M244-L246 HydrophobicContact CE-CD1 3.7Å; M244-L246 HydrophobicContact CE-CG 4.48Å; M244-L246 PolarHBondContact O-N 3.3Å; L246-I300 HydrophobicContact CD1-CG2 4.09Å; L246-I300 HydrophobicContact CD2-CD1 3.94Å; L246-I300 HydrophobicContact CD2-CG2 3.87Å; L246-V327 HydrophobicContact CD1-CG1 3.56Å
247	M	95.7	Very high	92.7	Very high	11 Å²	11	56.6 Å²	56.6	5%	0.054	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	154.2	-177.5	-53.7	-56	-64.2	0	0	111.7	L237 D238 Y239 T281 H282 V286 Y301	L237-M247 HydrophobicContact CB-CE 4.17Å; D238-M247 VanDerWaalsContact C-CE 3.45Å; D238-M247 CarbonylContact O-C 3.57Å; D238-M247 VanDerWaalsContact O-CA 3.29Å; D238-M247 WeakPolarHBondContact O-CA 3.28Å; D238-M247 WeakPolarHBondContact O-CE 2.98Å; Y239-M247 HydrophobicContact CD1-SD 3.57Å; Y239-M247 VanDerWaalsContact CD1-SD 3.57Å; Y239-M247 HydrophobicContact CE1-SD 3.66Å; Y239-M247 HydrophobicContact CG-SD 4.09Å; M247-T281 HydrophobicContact CG-CG2 4.2Å; M247-T281 WeakPolarHBondContact CG-O 3.45Å; M247-H282 HydrophobicContact CG-CB 4.26Å; M247-V286 HydrophobicContact CB-CG2 3.97Å; M247-Y301 PolarHBondContact N-OH 2.78Å; M247-Y301 VanDerWaalsContact O-CE1 3.28Å; M247-Y301 WeakPolarHBondContact O-CE1 3.48Å; M247-Y301 PolarHBondContact O-OH 3.04Å
248	R	96.1	Very high	92.8	Very high	54 Å²	54	56.5 Å²	56.5	20%	0.204	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	164.1	169.9	63.2	177.5	-171.8	105.9	-8.5	110.7	L237 D238 L240	L237-R248 WeakPolarHBondContact CA-O 3.35Å; L237-R248 WeakPolarHBondContact CD2-O 3.08Å; D238-R248 PolarHBondContact N-O 3.16Å; D238-R248 PolarHBondContact O-N 3.49Å; L240-R248 HydrophobicContact CB-CB 4.05Å; L240-R248 HydrophobicContact CB-CG 4.07Å
249	V	97.3	Very high	92.8	Very high	19 Å²	19	58.2 Å²	58.2	12%	0.115	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.5	164	170.4	0	0	0	0	109.4	Q235 P236 L237 V286 F290	Q235-V249 HydrophobicContact CB-CB 4.44Å; Q235-V249 HydrophobicContact CB-CG1 3.77Å; Q235-V249 HydrophobicContact CB-CG2 3.78Å; Q235-V249 HydrophobicContact CG-CG1 4.24Å; P236-V249 WeakPolarHBondContact O-CA 3.01Å; L237-V249 HydrophobicContact CD2-CG2 3.92Å; V249-V286 HydrophobicContact CG2-CG1 4.06Å; V249-F290 HydrophobicContact CB-CD2 4.03Å; V249-F290 HydrophobicContact CB-CE2 4.42Å; V249-F290 HydrophobicContact CG1-CD2 4.15Å; V249-F290 HydrophobicContact CG1-CE2 4.05Å; V249-F290 HydrophobicContact CG2-CB 4.04Å; V249-F290 HydrophobicContact CG2-CD2 3.63Å; V249-F290 HydrophobicContact CG2-CE2 4.34Å; V249-F290 HydrophobicContact CG2-CG 3.97Å
250	S	96.4	Very high	93.1	Very high	12 Å²	12	54.8 Å²	54.8	8%	0.084	26%	0.259	C	S	.	.			trans	-155.3	133.6	178.1	-178.8	0	0	0	0	109.6	P236 E252 G253	P236-S250 CarbonylContact C-O 3.5Å; P236-S250 WeakPolarHBondContact CB-O 3.4Å; P236-S250 VanDerWaalsContact CG-O 3.24Å; P236-S250 WeakPolarHBondContact CG-O 3.44Å; P236-S250 PolarHBondContact O-N 3.22Å; S250-E252 PolarHBondContact O-N 2.85Å; S250-G253 WeakPolarHBondContact O-CA 3.24Å; S250-G253 PolarHBondContact O-N 3.14Å
251	R	95.5	Very high	93.3	Very high	231 Å²	231	59.1 Å²	59.1	87%	0.872	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.1	178.2	-65.5	-175.8	-179	-173.4	0.7	112.9	G253	R251-G253 PolarHBondContact O-N 2.7Å
252	E	95.7	Very high	94	Very high	168 Å²	168	60 Å²	60	79%	0.785	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-1.1	175.1	-55.3	-52.5	134	0	0	113.1	S250	S250-E252 PolarHBondContact O-N 2.85Å
253	G	97.1	Very high	94.7	Very high	14 Å²	14	52.9 Å²	52.9	14%	0.144	25%	0.253	C	S	.	.	S	Bend	trans	-75.2	173.7	-177.8	0	0	0	0	0	113.9	L237 S250 R251	L237-G253 CarbonylContact O-C 3.52Å; L237-G253 VanDerWaalsContact O-CA 3.3Å; L237-G253 WeakPolarHBondContact O-CA 3.26Å; S250-G253 WeakPolarHBondContact O-CA 3.24Å; S250-G253 PolarHBondContact O-N 3.14Å; R251-G253 PolarHBondContact O-N 2.7Å
254	K	97.8	Very high	95.8	Very high	121 Å²	121	52.5 Å²	52.5	53%	0.526	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-76	134.8	176.4	-65.9	178.4	-178.3	175.2	0	109.6	P236 L237	P236-K254 WeakPolarHBondContact CA-O 3.28Å; L237-K254 PolarHBondContact N-O 2.83Å; L237-K254 PolarHBondContact O-N 2.92Å
255	P	97.9	Very high	96.6	Very high	94 Å²	94	53 Å²	53	61%	0.61	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-62.9	140.6	177.4	26.3	-34.5	0	0	0	110.7	R280	P255-R280 PolarHBondContact O-NE 3.25Å; P255-R280 PolarHBondContact O-NH2 3.17Å
256	C	97.8	Very high	97	Very high	7 Å²	7	57 Å²	57	5%	0.047	27%	0.265	C	S	.	.			trans	-158.9	151.8	177.7	50.9	0	0	0	0	111.3	D234 Q235 L237 T278 R280 Q283 H287	D234-C256 CarbonylContact C-O 3.25Å; D234-C256 VanDerWaalsContact C-O 3.25Å; D234-C256 VanDerWaalsContact CA-O 3.3Å; D234-C256 WeakPolarHBondContact CA-O 3.27Å; Q235-C256 PolarHBondContact O-SG 2.97Å; L237-C256 VanDerWaalsContact CG-SG 3.51Å; C256-T278 WeakPolarHBondContact CA-OG1 3.35Å; C256-T278 HydrophobicContact CB-CG2 4.45Å; C256-T278 WeakPolarHBondContact CB-OG1 3.32Å; C256-R280 HydrophobicContact CB-CG 3.68Å; C256-Q283 HydrophobicContact CB-CG 4.2Å; C256-H287 PolarHBondContact SG-NE2 2.95Å
257	F	98.2	Very high	97.1	Very high	44 Å²	44	58.6 Å²	58.6	19%	0.193	28%	0.283	C	S	.	.			trans	-141.4	136.9	-173.9	-176.1	-86.5	0	0	0	111.2	T232 C233 D234 R259 Q277 T278 Q283	T232-F257 HydrophobicContact CG2-CE2 4.47Å; T232-F257 HydrophobicContact CG2-CZ 3.79Å; C233-F257 WeakPolarHBondContact O-CA 3.48Å; D234-F257 HydrophobicContact CB-CD2 3.7Å; D234-F257 HydrophobicContact CB-CE2 4.26Å; F257-R259 HydrophobicContact CD1-CG 4.44Å; F257-R259 HydrophobicContact CE1-CG 3.47Å; F257-R259 VanDerWaalsContact CE1-CG 3.47Å; F257-R259 HydrophobicContact CZ-CG 4.06Å; F257-Q277 HydrophobicContact CD1-CB 4.38Å; F257-Q277 HydrophobicContact CD1-CG 3.87Å; F257-Q277 PolarHBondContact O-N 2.85Å; F257-T278 PolarHBondContact N-OG1 3.36Å; F257-Q283 PolarHBondContact O-NE2 3.48Å
258	T	98.7	Very high	97.2	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	133.8	177.1	-44.2	0	0	0	0	110.4	T232 C233 F260 C274 P276 Q283 I284 H287	T232-T258 WeakPolarHBondContact CA-O 3.25Å; C233-T258 PolarHBondContact N-O 2.84Å; C233-T258 PolarHBondContact O-N 2.86Å; T258-F260 HydrophobicContact CG2-CD1 4.2Å; T258-F260 HydrophobicContact CG2-CD2 4.24Å; T258-F260 HydrophobicContact CG2-CE1 3.55Å; T258-F260 HydrophobicContact CG2-CE2 3.61Å; T258-F260 HydrophobicContact CG2-CZ 3.23Å; T258-C274 HydrophobicContact CG2-CB 4.33Å; T258-P276 HydrophobicContact CG2-CB 4.12Å; T258-Q283 PolarHBondContact OG1-NE2 3.26Å; T258-I284 HydrophobicContact CG2-CG1 4.43Å; T258-H287 WeakPolarHBondContact CB-ND1 3.34Å; T258-H287 PolarHBondContact OG1-ND1 3.3Å
259	R	98.7	Very high	97.3	Very high	84 Å²	84	65.8 Å²	65.8	32%	0.317	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	145.5	165.5	-52.3	-173.5	165.7	77.6	5.4	110.4	E230 T232 F257 C274 L275	E230-R259 HydrophobicContact CG-CB 4.47Å; E230-R259 WeakPolarHBondContact OE1-CD 3.5Å; E230-R259 IonicContact OE1-NE 2.62Å; T232-R259 HydrophobicContact CG2-CB 4.49Å; T232-R259 HydrophobicContact CG2-CG 4.07Å; F257-R259 HydrophobicContact CD1-CG 4.44Å; F257-R259 HydrophobicContact CE1-CG 3.47Å; F257-R259 VanDerWaalsContact CE1-CG 3.47Å; F257-R259 HydrophobicContact CZ-CG 4.06Å; R259-C274 WeakPolarHBondContact O-CA 3.27Å; R259-L275 HydrophobicContact CB-CB 4.23Å; R259-L275 PolarHBondContact N-O 3.28Å; R259-L275 VanDerWaalsContact N-O 3.13Å; R259-L275 PolarHBondContact O-N 2.75Å
260	F	98.7	Very high	97.4	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130	-178.6	-60.1	-81.3	0	0	0	110.3	F226 E230 L231 C233 T258 V272 K273 C274 I284 H287 L288 L291	F226-F260 HydrophobicContact CE1-CB 3.85Å; F226-F260 HydrophobicContact CZ-CB 3.48Å; F226-F260 VanDerWaalsContact CZ-CB 3.48Å; F226-F260 HydrophobicContact CZ-CG 4.2Å; E230-F260 WeakPolarHBondContact CA-O 3.44Å; E230-F260 WeakPolarHBondContact CG-O 3.38Å; L231-F260 HydrophobicContact CB-CB 4.47Å; L231-F260 PolarHBondContact N-O 3.06Å; L231-F260 PolarHBondContact O-N 2.89Å; C233-F260 HydrophobicContact CB-CE2 4.08Å; T258-F260 HydrophobicContact CG2-CD1 4.2Å; T258-F260 HydrophobicContact CG2-CD2 4.24Å; T258-F260 HydrophobicContact CG2-CE1 3.55Å; T258-F260 HydrophobicContact CG2-CE2 3.61Å; T258-F260 HydrophobicContact CG2-CZ 3.23Å; F260-V272 HydrophobicContact CB-CG1 3.92Å; F260-V272 HydrophobicContact CD1-CG1 4.01Å; F260-V272 HydrophobicContact CG-CG1 4.45Å; F260-K273 VanDerWaalsContact CA-O 3.29Å; F260-K273 WeakPolarHBondContact CA-O 3.43Å; F260-C274 HydrophobicContact CD1-CB 3.85Å; F260-C274 HydrophobicContact CE1-CB 3.78Å; F260-I284 HydrophobicContact CE1-CG2 4.24Å; F260-H287 HydrophobicContact CE2-CB 4.04Å; F260-H287 HydrophobicContact CZ-CB 3.78Å; F260-L288 HydrophobicContact CD1-CD2 3.76Å; F260-L288 HydrophobicContact CD1-CG 4.28Å; F260-L288 HydrophobicContact CE1-CD1 4.13Å; F260-L288 HydrophobicContact CE1-CD2 3.62Å; F260-L288 HydrophobicContact CE1-CG 3.62Å; F260-L288 HydrophobicContact CG-CD2 4.37Å; F260-L288 HydrophobicContact CZ-CD2 4.12Å; F260-L288 HydrophobicContact CZ-CG 3.98Å; F260-L291 HydrophobicContact CD2-CD1 3.77Å; F260-L291 HydrophobicContact CE2-CD1 3.81Å
261	R	98.1	Very high	97.5	Very high	98 Å²	98	64.6 Å²	64.6	37%	0.37	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.9	174.6	-168.8	-177.1	86.5	-177.2	4.5	109	L263 V272 K273 D403	R261-L263 PolarHBondContact O-N 3.42Å; R261-V272 WeakPolarHBondContact O-CA 3.37Å; R261-K273 HydrophobicContact CB-CB 4.45Å; R261-K273 PolarHBondContact N-O 2.99Å; R261-K273 PolarHBondContact O-N 2.63Å; R261-D403 PolarHBondContact NH2-O 3.19Å; R261-D403 VanDerWaalsContact NH2-O 3.1Å
262	K	98.1	Very high	97.6	Very high	27 Å²	27	53.6 Å²	53.6	12%	0.117	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	134.2	168.7	-178.7	171.7	54.5	-175.3	0	109.6	F226 P227 D228 T265	F226-K262 HydrophobicContact CB-CB 4.21Å; F226-K262 HydrophobicContact CB-CD 4.21Å; F226-K262 HydrophobicContact CB-CG 4.37Å; F226-K262 HydrophobicContact CD1-CB 4.04Å; F226-K262 VanDerWaalsContact O-CD 3.26Å; F226-K262 WeakPolarHBondContact O-CD 3.32Å; F226-K262 VanDerWaalsContact O-CE 3.25Å; F226-K262 WeakPolarHBondContact O-CE 3.3Å; F226-K262 PolarHBondContact O-NZ 3.1Å; P227-K262 WeakPolarHBondContact O-CB 3.48Å; D228-K262 WeakPolarHBondContact OD1-CE 3.39Å; D228-K262 IonicContact OD1-NZ 2.7Å; D228-K262 PolarHBondContact OD1-NZ 3.08Å; D228-K262 IonicContact OD2-NZ 3.89Å; K262-T265 HydrophobicContact CD-CG2 3.81Å
263	L	97.8	Very high	97.7	Very high	17 Å²	17	46.8 Å²	46.8	9%	0.089	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-42.1	170.9	-62.7	179.2	0	0	0	110.7	I219 R261 I271 K273 L397	I219-L263 HydrophobicContact CD1-CD1 4.17Å; I219-L263 HydrophobicContact CG1-CD1 4.24Å; R261-L263 PolarHBondContact O-N 3.42Å; L263-I271 HydrophobicContact CB-CG2 4.32Å; L263-I271 HydrophobicContact CD1-CG2 4.28Å; L263-I271 PolarHBondContact N-O 2.89Å; L263-K273 HydrophobicContact CD1-CB 3.93Å; L263-K273 HydrophobicContact CD2-CB 4.02Å; L263-K273 HydrophobicContact CG-CB 3.91Å; L263-L397 HydrophobicContact CB-CD1 4.43Å; L263-L397 HydrophobicContact CB-CD2 3.74Å; L263-L397 HydrophobicContact CD1-CD1 3.75Å
264	H	97.5	Very high	97.8	Very high	52 Å²	52	46.1 Å²	46.1	24%	0.241	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	158.3	-178.8	-177.8	69.3	0	0	0	110.7	S270 I271 L397 I402	H264-S270 CarbonylContact O-C 3.55Å; H264-S270 VanDerWaalsContact O-CA 3.31Å; H264-S270 WeakPolarHBondContact O-CA 3.3Å; H264-I271 HydrophobicContact CB-CB 4.28Å; H264-I271 HydrophobicContact CB-CD1 4.35Å; H264-I271 PolarHBondContact N-O 2.63Å; H264-I271 PolarHBondContact O-N 3.06Å; H264-L397 HydrophobicContact CB-CD2 3.71Å; H264-I402 HydrophobicContact CB-CD1 4.03Å
265	T	97.1	Very high	97.8	Very high	34 Å²	34	43 Å²	43	21%	0.209	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	146.5	170.1	-177.8	0	0	0	0	110	Q225 K262 G267 L269 S270	Q225-T265 HydrophobicContact CG-CG2 4.38Å; K262-T265 HydrophobicContact CD-CG2 3.81Å; T265-G267 PolarHBondContact OG1-N 3.2Å; T265-L269 WeakPolarHBondContact CA-O 3.45Å; T265-L269 WeakPolarHBondContact CB-O 3.34Å; T265-L269 PolarHBondContact OG1-O 2.8Å; T265-S270 WeakPolarHBondContact CB-OG 3.49Å; T265-S270 PolarHBondContact OG1-OG 2.92Å
266	D	95.8	Very high	97.8	Very high	105 Å²	105	39 Å²	39	56%	0.561	19%	0.192	S	C	*	.			trans	-97.9	9.1	168.9	69.3	0.5	0	0	0	112.2	K268 L269	D266-K268 VanDerWaalsContact C-N 3.33Å; D266-K268 WeakPolarHBondContact OD1-CA 3.19Å; D266-K268 PolarHBondContact OD1-N 3Å; D266-L269 PolarHBondContact N-O 3.16Å; D266-L269 PolarHBondContact OD1-N 3.21Å
267	G	94	Very high	97.7	Very high	39 Å²	39	43.9 Å²	43.9	40%	0.402	21%	0.213	S	C	.	.	S	Bend	trans	89.3	-19.1	-174.8	0	0	0	0	0	114.6	T265	T265-G267 PolarHBondContact OG1-N 3.2Å
268	K	96.9	Very high	97.5	Very high	170 Å²	170	43.6 Å²	43.6	74%	0.739	22%	0.215	S	C	*	.	S	Bend	trans	-111.2	-36.7	177.1	-68	-177.1	-179.9	178.6	0	112.6	G224 D266	G224-K268 CarbonylContact C-O 3.45Å; G224-K268 WeakPolarHBondContact CA-O 3.34Å; G224-K268 PolarHBondContact N-O 2.82Å; D266-K268 VanDerWaalsContact C-N 3.33Å; D266-K268 WeakPolarHBondContact OD1-CA 3.19Å; D266-K268 PolarHBondContact OD1-N 3Å
269	L	98.2	Very high	97.2	Very high	45 Å²	45	46.7 Å²	46.7	24%	0.236	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	155.7	178.9	-57	179.3	0	0	0	109.3	L221 V222 G224 T265 D266 I296	L221-L269 HydrophobicContact CD1-CB 4.05Å; L221-L269 HydrophobicContact CD2-CD1 4.39Å; V222-L269 WeakPolarHBondContact O-CA 3.45Å; G224-L269 CarbonylContact O-C 3.52Å; T265-L269 WeakPolarHBondContact CA-O 3.45Å; T265-L269 WeakPolarHBondContact CB-O 3.34Å; T265-L269 PolarHBondContact OG1-O 2.8Å; D266-L269 PolarHBondContact N-O 3.16Å; D266-L269 PolarHBondContact OD1-N 3.21Å; L269-I296 HydrophobicContact CD1-CD1 3.56Å; L269-I296 HydrophobicContact CD2-CD1 3.43Å; L269-I296 VanDerWaalsContact CD2-CD1 3.43Å; L269-I296 HydrophobicContact CD2-CG1 4.13Å; L269-I296 HydrophobicContact CG-CD1 4.14Å
270	S	98.5	Very high	97.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.007	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	137.9	177.3	-59	0	0	0	0	111.6	L221 V222 G224 F226 H264 T265	L221-S270 WeakPolarHBondContact CA-O 3.47Å; V222-S270 WeakPolarHBondContact CG2-O 3.2Å; V222-S270 PolarHBondContact N-O 3.37Å; V222-S270 PolarHBondContact O-N 3.41Å; G224-S270 PolarHBondContact O-N 2.9Å; G224-S270 PolarHBondContact O-OG 3.28Å; F226-S270 PolarHBondContact N-OG 3.03Å; H264-S270 CarbonylContact O-C 3.55Å; H264-S270 VanDerWaalsContact O-CA 3.31Å; H264-S270 WeakPolarHBondContact O-CA 3.3Å; T265-S270 WeakPolarHBondContact CB-OG 3.49Å; T265-S270 PolarHBondContact OG1-OG 2.92Å
271	I	98.5	Very high	96.9	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.6	165.9	-59.4	173.6	0	0	0	107.5	I219 C220 L221 L263 H264 W393 A394 V396 L397	I219-I271 HydrophobicContact CG2-CG2 3.37Å; C220-I271 WeakPolarHBondContact O-CA 3.38Å; L221-I271 HydrophobicContact CD1-CG1 3.81Å; L263-I271 HydrophobicContact CB-CG2 4.32Å; L263-I271 HydrophobicContact CD1-CG2 4.28Å; L263-I271 PolarHBondContact N-O 2.89Å; H264-I271 HydrophobicContact CB-CB 4.28Å; H264-I271 HydrophobicContact CB-CD1 4.35Å; H264-I271 PolarHBondContact N-O 2.63Å; H264-I271 PolarHBondContact O-N 3.06Å; I271-W393 HydrophobicContact CG2-CZ3 4.32Å; I271-A394 HydrophobicContact CD1-CB 4.46Å; I271-V396 HydrophobicContact CD1-CG1 3.41Å; I271-V396 VanDerWaalsContact CD1-CG1 3.41Å; I271-L397 HydrophobicContact CD1-CD2 4.2Å; I271-L397 HydrophobicContact CD1-CG 4.19Å; I271-L397 HydrophobicContact CG2-CD1 3.93Å; I271-L397 HydrophobicContact CG2-CD2 4.31Å; I271-L397 HydrophobicContact CG2-CG 4.38Å
272	V	98.7	Very high	96.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131	-172.5	179.8	0	0	0	0	109.7	I219 C220 V222 F226 F260 R261	I219-V272 CarbonylContact C-O 3.53Å; I219-V272 WeakPolarHBondContact CA-O 3.37Å; C220-V272 PolarHBondContact N-O 2.66Å; C220-V272 PolarHBondContact O-N 3.08Å; V222-V272 HydrophobicContact CG1-CG2 4.49Å; V222-V272 HydrophobicContact CG2-CG2 3.66Å; F226-V272 HydrophobicContact CB-CG2 3.96Å; F226-V272 HydrophobicContact CD1-CG2 4.12Å; F226-V272 HydrophobicContact CD2-CG2 3.68Å; F226-V272 HydrophobicContact CE1-CG1 4.22Å; F226-V272 HydrophobicContact CE2-CG1 4.32Å; F226-V272 HydrophobicContact CE2-CG2 4.16Å; F226-V272 HydrophobicContact CG-CG2 3.64Å; F226-V272 HydrophobicContact CZ-CG1 4.11Å; F260-V272 HydrophobicContact CB-CG1 3.92Å; F260-V272 HydrophobicContact CD1-CG1 4.01Å; F260-V272 HydrophobicContact CG-CG1 4.45Å; R261-V272 WeakPolarHBondContact O-CA 3.37Å
273	K	98.6	Very high	96.8	Very high	26 Å²	26	45 Å²	45	11%	0.113	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.4	166.6	-170.6	175.9	-169.3	155.3	0	109.2	E217 Y218 F260 R261 L263 Y404	E217-K273 WeakPolarHBondContact OE2-CE 3.43Å; E217-K273 IonicContact OE2-NZ 3.86Å; E217-K273 PolarHBondContact OE2-NZ 2.93Å; Y218-K273 CarbonylContact O-C 3.46Å; Y218-K273 WeakPolarHBondContact O-CA 3.43Å; F260-K273 VanDerWaalsContact CA-O 3.29Å; F260-K273 WeakPolarHBondContact CA-O 3.43Å; R261-K273 HydrophobicContact CB-CB 4.45Å; R261-K273 PolarHBondContact N-O 2.99Å; R261-K273 PolarHBondContact O-N 2.63Å; L263-K273 HydrophobicContact CD1-CB 3.93Å; L263-K273 HydrophobicContact CD2-CB 4.02Å; L263-K273 HydrophobicContact CG-CB 3.91Å; K273-Y404 WeakPolarHBondContact CD-OXT 3.43Å; K273-Y404 WeakPolarHBondContact CE-OXT 3.47Å; K273-Y404 PolarHBondContact NZ-O 3.29Å; K273-Y404 PolarHBondContact NZ-OXT 3.33Å
274	C	98.7	Very high	96.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.3	176.6	-32.5	0	0	0	0	110.7	Y218 C220 T258 R259 F260 P276 I284	Y218-C274 PolarHBondContact N-O 2.9Å; Y218-C274 PolarHBondContact O-N 3.33Å; C220-C274 PolarHBondContact SG-SG 2.99Å; T258-C274 HydrophobicContact CG2-CB 4.33Å; R259-C274 WeakPolarHBondContact O-CA 3.27Å; F260-C274 HydrophobicContact CD1-CB 3.85Å; F260-C274 HydrophobicContact CE1-CB 3.78Å; C274-P276 WeakPolarHBondContact O-CD 3.01Å; C274-I284 HydrophobicContact CB-CD1 3.96Å; C274-I284 HydrophobicContact CB-CG1 4.23Å; C274-I284 HydrophobicContact CB-CG2 4.2Å
275	L	98.2	Very high	96.9	Very high	56 Å²	56	42.7 Å²	42.7	29%	0.293	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	78	-179	-62.2	173.3	0	0	0	109.5	E217 R259 Q277	E217-L275 HydrophobicContact CB-CD2 4.14Å; E217-L275 HydrophobicContact CG-CD2 3.67Å; R259-L275 HydrophobicContact CB-CB 4.23Å; R259-L275 PolarHBondContact N-O 3.28Å; R259-L275 VanDerWaalsContact N-O 3.13Å; R259-L275 PolarHBondContact O-N 2.75Å; L275-Q277 PolarHBondContact O-N 3.25Å
276	P	97.8	Very high	97	Very high	10 Å²	10	41.1 Å²	41.1	7%	0.065	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	122.3	177.5	32.8	-37.8	0	0	0	110.3	K216 Y218 T258 C274 T278 I284	K216-P276 HydrophobicContact CB-CG 4.2Å; Y218-P276 HydrophobicContact CD2-CG 3.87Å; Y218-P276 HydrophobicContact CE2-CG 3.78Å; T258-P276 HydrophobicContact CG2-CB 4.12Å; C274-P276 WeakPolarHBondContact O-CD 3.01Å; P276-T278 WeakPolarHBondContact CB-O 3.45Å; P276-I284 HydrophobicContact CB-CG1 4.4Å; P276-I284 HydrophobicContact CG-CD1 4.04Å; P276-I284 HydrophobicContact CG-CG1 4.34Å
277	Q	95.6	Very high	97.1	Very high	108 Å²	108	36.1 Å²	36.1	51%	0.505	20%	0.199	S	C	.	.	S	Bend	trans	-73.3	-41.7	173.3	-68.5	-173.4	-44	0	0	110.3	K216 F257 L275	K216-Q277 PolarHBondContact NZ-O 2.67Å; K216-Q277 VanDerWaalsContact NZ-O 3.07Å; F257-Q277 HydrophobicContact CD1-CB 4.38Å; F257-Q277 HydrophobicContact CD1-CG 3.87Å; F257-Q277 PolarHBondContact O-N 2.85Å; L275-Q277 PolarHBondContact O-N 3.25Å
278	T	94.1	Very high	97.3	Very high	38 Å²	38	34.2 Å²	34.2	23%	0.233	18%	0.179	C	C	.	.	S	Bend	trans	-89.9	-178.6	172.4	51	0	0	0	0	111.7	K216 C256 F257 P276 Q283	K216-T278 PolarHBondContact NZ-O 3.12Å; C256-T278 WeakPolarHBondContact CA-OG1 3.35Å; C256-T278 HydrophobicContact CB-CG2 4.45Å; C256-T278 WeakPolarHBondContact CB-OG1 3.32Å; F257-T278 PolarHBondContact N-OG1 3.36Å; P276-T278 WeakPolarHBondContact CB-O 3.45Å; T278-Q283 PolarHBondContact OG1-NE2 2.96Å; T278-Q283 PolarHBondContact OG1-OE1 3.42Å
279	G	92.3	Very high	97.4	Very high	65 Å²	65	26.2 Å²	26.2	67%	0.67	15%	0.145	S	C	*	.			trans	-142.1	53.2	178.9	0	0	0	0	0	111.3
280	R	95.2	Very high	97.4	Very high	102 Å²	102	25.6 Å²	25.6	39%	0.385	14%	0.14	S	C	.	.			trans	-73.9	152.3	177	-52.3	-56.4	-179.8	-169.2	-1.1	109.9	L237 P255 C256 H282 Q283	L237-R280 HydrophobicContact CD1-CB 4.37Å; P255-R280 PolarHBondContact O-NE 3.25Å; P255-R280 PolarHBondContact O-NH2 3.17Å; C256-R280 HydrophobicContact CB-CG 3.68Å; R280-H282 PolarHBondContact O-N 3.39Å; R280-Q283 HydrophobicContact CB-CB 4.14Å; R280-Q283 VanDerWaalsContact O-CB 3.27Å; R280-Q283 WeakPolarHBondContact O-CB 3.31Å; R280-Q283 PolarHBondContact O-N 3.36Å; R280-Q283 VanDerWaalsContact O-N 3.15Å
281	T	94.8	Very high	97.4	Very high	43 Å²	43	27 Å²	27	26%	0.264	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	131.4	174.5	-53.6	0	0	0	0	109.7	M247 Q283	M247-T281 HydrophobicContact CG-CG2 4.2Å; M247-T281 WeakPolarHBondContact CG-O 3.45Å; T281-Q283 PolarHBondContact O-N 3.46Å
282	H	96.9	Very high	97.3	Very high	24 Å²	24	27.9 Å²	27.9	11%	0.111	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	19.5	177.6	-55.9	173.2	0	0	0	115.5	D186 M247 R280 I284 R285 V286 Y301	D186-H282 IonicContact OD2-CD2 2.97Å; D186-H282 PolarHBondContact OD2-CD2 3.17Å; D186-H282 VanDerWaalsContact OD2-CD2 3.31Å; M247-H282 HydrophobicContact CG-CB 4.26Å; R280-H282 PolarHBondContact O-N 3.39Å; H282-I284 PolarHBondContact O-N 2.94Å; H282-R285 HydrophobicContact CB-CB 4.4Å; H282-R285 PolarHBondContact CD2-NH1 3.45Å; H282-R285 VanDerWaalsContact CD2-NH1 3.32Å; H282-R285 PolarHBondContact CE1-NH1 2.79Å; H282-R285 VanDerWaalsContact CE1-NH1 3.35Å; H282-R285 PolarHBondContact NE2-NH1 2.99Å; H282-R285 VanDerWaalsContact NE2-NH1 3.14Å; H282-R285 WeakPolarHBondContact O-CB 3.49Å; H282-R285 PolarHBondContact O-N 2.91Å; H282-R285 VanDerWaalsContact O-N 3.11Å; H282-V286 HydrophobicContact CB-CG2 4.23Å; H282-V286 PolarHBondContact O-N 3.38Å; H282-Y301 HydrophobicContact CB-CE2 3.9Å; H282-Y301 AromaticContact CG-CE2 3.87Å; H282-Y301 AromaticContact ND1-CE2 3.41Å; H282-Y301 WeakPolarHBondContact ND1-CE2 3.42Å; H282-Y301 AromaticContact ND1-CZ 3.6Å; H282-Y301 PolarHBondContact ND1-OH 2.62Å
283	Q	98	Very high	97.3	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.028	17%	0.166	C	C	.	.	H	α-helix	trans	-55.3	-51.6	-170.2	-179.1	179.7	-40.7	0	0	113.4	L237 C256 F257 T258 T278 R280 T281 R285 V286 H287	L237-Q283 HydrophobicContact CD1-CB 4.05Å; L237-Q283 HydrophobicContact CD1-CG 4.07Å; C256-Q283 HydrophobicContact CB-CG 4.2Å; F257-Q283 PolarHBondContact O-NE2 3.48Å; T258-Q283 PolarHBondContact OG1-NE2 3.26Å; T278-Q283 PolarHBondContact OG1-NE2 2.96Å; T278-Q283 PolarHBondContact OG1-OE1 3.42Å; R280-Q283 HydrophobicContact CB-CB 4.14Å; R280-Q283 VanDerWaalsContact O-CB 3.27Å; R280-Q283 WeakPolarHBondContact O-CB 3.31Å; R280-Q283 PolarHBondContact O-N 3.36Å; R280-Q283 VanDerWaalsContact O-N 3.15Å; T281-Q283 PolarHBondContact O-N 3.46Å; Q283-R285 VanDerWaalsContact C-N 3.31Å; Q283-R285 PolarHBondContact O-N 2.78Å; Q283-V286 PolarHBondContact O-N 2.99Å; Q283-H287 VanDerWaalsContact O-CB 3.26Å; Q283-H287 WeakPolarHBondContact O-CB 3.29Å; Q283-H287 VanDerWaalsContact O-CG 3.29Å; Q283-H287 PolarHBondContact O-N 3.29Å
284	I	98.6	Very high	97.3	Very high	11 Å²	11	29.1 Å²	29.1	6%	0.056	16%	0.162	C	C	.	.	H	α-helix	trans	-59.9	-45.5	179.7	-67.3	171.6	0	0	0	110.2	Y218 T258 F260 C274 P276 H282 V286 H287 L288 L374	Y218-I284 HydrophobicContact CD1-CD1 3.92Å; Y218-I284 HydrophobicContact CD2-CD1 3.55Å; Y218-I284 HydrophobicContact CE1-CD1 4.42Å; Y218-I284 HydrophobicContact CE2-CD1 4.09Å; Y218-I284 HydrophobicContact CG-CD1 3.47Å; Y218-I284 VanDerWaalsContact CG-CD1 3.47Å; T258-I284 HydrophobicContact CG2-CG1 4.43Å; F260-I284 HydrophobicContact CE1-CG2 4.24Å; C274-I284 HydrophobicContact CB-CD1 3.96Å; C274-I284 HydrophobicContact CB-CG1 4.23Å; C274-I284 HydrophobicContact CB-CG2 4.2Å; P276-I284 HydrophobicContact CB-CG1 4.4Å; P276-I284 HydrophobicContact CG-CD1 4.04Å; P276-I284 HydrophobicContact CG-CG1 4.34Å; H282-I284 PolarHBondContact O-N 2.94Å; I284-V286 PolarHBondContact O-N 3.32Å; I284-H287 PolarHBondContact O-N 3.38Å; I284-L288 HydrophobicContact CG2-CD1 3.6Å; I284-L288 HydrophobicContact CG2-CG 4.33Å; I284-L288 VanDerWaalsContact O-CB 3.28Å; I284-L288 WeakPolarHBondContact O-CB 3.3Å; I284-L288 VanDerWaalsContact O-CG 3.32Å; I284-L288 WeakPolarHBondContact O-CG 3.1Å; I284-L288 PolarHBondContact O-N 2.84Å; I284-L374 HydrophobicContact CB-CD1 4.45Å; I284-L374 HydrophobicContact CB-CD2 4.47Å; I284-L374 HydrophobicContact CD1-CD1 4.16Å; I284-L374 HydrophobicContact CG2-CD1 3.77Å; I284-L374 HydrophobicContact CG2-CD2 4.42Å
285	R	98.5	Very high	97.3	Very high	8 Å²	8	29.1 Å²	29.1	3%	0.03	16%	0.163	C	C	.	.	H	α-helix	trans	-59.1	-50.8	-177.7	-55	167.5	68.2	-171.8	1	111.1	H282 Q283 Q289 I295 D298 Y301 M372 L374	H282-R285 HydrophobicContact CB-CB 4.4Å; H282-R285 PolarHBondContact CD2-NH1 3.45Å; H282-R285 VanDerWaalsContact CD2-NH1 3.32Å; H282-R285 PolarHBondContact CE1-NH1 2.79Å; H282-R285 VanDerWaalsContact CE1-NH1 3.35Å; H282-R285 PolarHBondContact NE2-NH1 2.99Å; H282-R285 VanDerWaalsContact NE2-NH1 3.14Å; H282-R285 WeakPolarHBondContact O-CB 3.49Å; H282-R285 PolarHBondContact O-N 2.91Å; H282-R285 VanDerWaalsContact O-N 3.11Å; Q283-R285 VanDerWaalsContact C-N 3.31Å; Q283-R285 PolarHBondContact O-N 2.78Å; R285-Q289 WeakPolarHBondContact O-CB 3.49Å; R285-Q289 PolarHBondContact O-N 3.22Å; R285-I295 HydrophobicContact CB-CD1 4.31Å; R285-I295 HydrophobicContact CG-CD1 3.83Å; R285-D298 IonicContact CZ-OD1 2.64Å; R285-D298 IonicContact CZ-OD2 2.71Å; R285-D298 IonicContact NE-OD1 2.77Å; R285-D298 IonicContact NE-OD2 2.72Å; R285-D298 PolarHBondContact NE-OD2 3.4Å; R285-D298 VanDerWaalsContact NH2-CG 3.27Å; R285-D298 IonicContact NH2-OD1 3.17Å; R285-D298 PolarHBondContact NH2-OD1 3.31Å; R285-D298 IonicContact NH2-OD2 3.98Å; R285-D298 PolarHBondContact NH2-OD2 2.87Å; R285-Y301 HydrophobicContact CB-CD2 3.77Å; R285-Y301 HydrophobicContact CB-CE2 4.14Å; R285-Y301 HydrophobicContact CB-CG 4.44Å; R285-M372 HydrophobicContact CG-SD 4.2Å; R285-M372 PolarHBondContact NE-SD 3.35Å; R285-M372 VanDerWaalsContact NE-SD 3.44Å; R285-L374 HydrophobicContact CG-CD2 4.01Å
286	V	98.3	Very high	97.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-72.2	-37.5	-179.1	-177.5	0	0	0	0	112.2	L237 M247 V249 H282 Q283 I284 Q289 F290 Y301	L237-V286 HydrophobicContact CD1-CB 4.48Å; L237-V286 HydrophobicContact CD2-CB 3.94Å; L237-V286 HydrophobicContact CD2-CG1 3.46Å; L237-V286 VanDerWaalsContact CD2-CG1 3.46Å; M247-V286 HydrophobicContact CB-CG2 3.97Å; V249-V286 HydrophobicContact CG2-CG1 4.06Å; H282-V286 HydrophobicContact CB-CG2 4.23Å; H282-V286 PolarHBondContact O-N 3.38Å; Q283-V286 PolarHBondContact O-N 2.99Å; I284-V286 PolarHBondContact O-N 3.32Å; V286-Q289 PolarHBondContact O-N 2.9Å; V286-F290 VanDerWaalsContact O-CB 3.32Å; V286-F290 WeakPolarHBondContact O-CB 3.04Å; V286-F290 PolarHBondContact O-N 2.78Å; V286-Y301 HydrophobicContact CG2-CD1 4.09Å; V286-Y301 HydrophobicContact CG2-CE1 3.53Å; V286-Y301 HydrophobicContact CG2-CE2 4.24Å
287	H	98.7	Very high	97	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.4	-43	175.9	-79.2	-168.9	0	0	0	111.7	C233 Q235 C256 T258 F260 Q283 I284 F290 L291	C233-H287 HydrophobicContact CB-CB 3.94Å; C233-H287 PolarHBondContact O-CE1 2.73Å; C233-H287 PolarHBondContact O-ND1 3.46Å; Q235-H287 PolarHBondContact O-NE2 3.01Å; C256-H287 PolarHBondContact SG-NE2 2.95Å; T258-H287 WeakPolarHBondContact CB-ND1 3.34Å; T258-H287 PolarHBondContact OG1-ND1 3.3Å; F260-H287 HydrophobicContact CE2-CB 4.04Å; F260-H287 HydrophobicContact CZ-CB 3.78Å; Q283-H287 VanDerWaalsContact O-CB 3.26Å; Q283-H287 WeakPolarHBondContact O-CB 3.29Å; Q283-H287 VanDerWaalsContact O-CG 3.29Å; Q283-H287 PolarHBondContact O-N 3.29Å; I284-H287 PolarHBondContact O-N 3.38Å; H287-F290 PolarHBondContact O-N 2.82Å; H287-L291 VanDerWaalsContact O-CG 3.27Å; H287-L291 WeakPolarHBondContact O-CG 3.24Å; H287-L291 PolarHBondContact O-N 3.3Å
288	L	98.7	Very high	97	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.8	-42.8	175.8	-78.8	172.8	0	0	0	112.4	C220 V222 F226 F260 I284 F290 L291 G292 Y293 I295	C220-L288 WeakPolarHBondContact SG-CD1 3.41Å; V222-L288 HydrophobicContact CG1-CD1 3.84Å; V222-L288 HydrophobicContact CG1-CD2 4.17Å; F226-L288 HydrophobicContact CE2-CD2 4.01Å; F260-L288 HydrophobicContact CD1-CD2 3.76Å; F260-L288 HydrophobicContact CD1-CG 4.28Å; F260-L288 HydrophobicContact CE1-CD1 4.13Å; F260-L288 HydrophobicContact CE1-CD2 3.62Å; F260-L288 HydrophobicContact CE1-CG 3.62Å; F260-L288 HydrophobicContact CG-CD2 4.37Å; F260-L288 HydrophobicContact CZ-CD2 4.12Å; F260-L288 HydrophobicContact CZ-CG 3.98Å; I284-L288 HydrophobicContact CG2-CD1 3.6Å; I284-L288 HydrophobicContact CG2-CG 4.33Å; I284-L288 VanDerWaalsContact O-CB 3.28Å; I284-L288 WeakPolarHBondContact O-CB 3.3Å; I284-L288 VanDerWaalsContact O-CG 3.32Å; I284-L288 WeakPolarHBondContact O-CG 3.1Å; I284-L288 PolarHBondContact O-N 2.84Å; L288-F290 PolarHBondContact O-N 2.85Å; L288-L291 PolarHBondContact O-N 3.11Å; L288-G292 PolarHBondContact O-N 3.41Å; L288-G292 VanDerWaalsContact O-N 3.16Å; L288-Y293 WeakPolarHBondContact CB-O 3.48Å; L288-Y293 CarbonylContact O-C 3.53Å; L288-Y293 PolarHBondContact O-N 3.48Å; L288-I295 HydrophobicContact CD1-CD1 4.17Å; L288-I295 HydrophobicContact CD1-CG1 3.85Å
289	Q	98.2	Very high	96.7	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.009	15%	0.154	C	C	.	.	H	α-helix	trans	-56.1	-49.8	171.3	-173.3	-169.8	48.3	0	0	111.2	R285 V286 L291 G292 Y301 F306 K310	R285-Q289 WeakPolarHBondContact O-CB 3.49Å; R285-Q289 PolarHBondContact O-N 3.22Å; V286-Q289 PolarHBondContact O-N 2.9Å; Q289-L291 VanDerWaalsContact C-N 3.32Å; Q289-L291 PolarHBondContact O-N 3.44Å; Q289-G292 WeakPolarHBondContact O-CA 3.33Å; Q289-G292 PolarHBondContact O-N 2.76Å; Q289-Y301 PolarHBondContact NE2-O 2.88Å; Q289-F306 VanDerWaalsContact NE2-CG 3.34Å; Q289-K310 WeakPolarHBondContact CG-O 3.33Å; Q289-K310 PolarHBondContact NE2-O 3.48Å
290	F	98.4	Very high	96.6	Very high	31 Å²	31	24 Å²	24	14%	0.136	13%	0.126	C	C	.	.	H	α-helix	trans	-60.3	-39.8	178.8	178.7	-89.5	0	0	0	112.4	Q235 V249 V286 H287 L288 G292 K312 N313	Q235-F290 HydrophobicContact CG-CD1 3.89Å; Q235-F290 HydrophobicContact CG-CD2 4.47Å; Q235-F290 HydrophobicContact CG-CE1 3.51Å; Q235-F290 HydrophobicContact CG-CE2 4.11Å; Q235-F290 HydrophobicContact CG-CG 4.36Å; Q235-F290 HydrophobicContact CG-CZ 3.62Å; V249-F290 HydrophobicContact CB-CD2 4.03Å; V249-F290 HydrophobicContact CB-CE2 4.42Å; V249-F290 HydrophobicContact CG1-CD2 4.15Å; V249-F290 HydrophobicContact CG1-CE2 4.05Å; V249-F290 HydrophobicContact CG2-CB 4.04Å; V249-F290 HydrophobicContact CG2-CD2 3.63Å; V249-F290 HydrophobicContact CG2-CE2 4.34Å; V249-F290 HydrophobicContact CG2-CG 3.97Å; V286-F290 VanDerWaalsContact O-CB 3.32Å; V286-F290 WeakPolarHBondContact O-CB 3.04Å; V286-F290 PolarHBondContact O-N 2.78Å; H287-F290 PolarHBondContact O-N 2.82Å; L288-F290 PolarHBondContact O-N 2.85Å; F290-G292 PolarHBondContact O-N 2.92Å; F290-K312 CarbonylContact O-C 3.59Å; F290-K312 WeakPolarHBondContact O-CA 3.28Å; F290-N313 VanDerWaalsContact CE2-CA 3.46Å; F290-N313 WeakPolarHBondContact CE2-O 3.25Å; F290-N313 PolarHBondContact O-N 3.23Å
291	L	98.2	Very high	96.6	Very high	32 Å²	32	19.2 Å²	19.2	17%	0.168	11%	0.108	C	C	.	.	H	α-helix	trans	-70.1	-11.7	175.6	-67.9	172.9	0	0	0	113	L231 C233 F260 H287 L288 Q289 Y293	L231-L291 HydrophobicContact CB-CD1 4.5Å; L231-L291 HydrophobicContact CD1-CD1 4.49Å; C233-L291 HydrophobicContact CB-CD1 4.11Å; C233-L291 HydrophobicContact CB-CD2 4.4Å; C233-L291 HydrophobicContact CB-CG 4.29Å; F260-L291 HydrophobicContact CD2-CD1 3.77Å; F260-L291 HydrophobicContact CE2-CD1 3.81Å; H287-L291 VanDerWaalsContact O-CG 3.27Å; H287-L291 WeakPolarHBondContact O-CG 3.24Å; H287-L291 PolarHBondContact O-N 3.3Å; L288-L291 PolarHBondContact O-N 3.11Å; Q289-L291 VanDerWaalsContact C-N 3.32Å; Q289-L291 PolarHBondContact O-N 3.44Å; L291-Y293 HydrophobicContact CB-CD2 4.02Å; L291-Y293 WeakPolarHBondContact O-CD2 3.09Å; L291-Y293 WeakPolarHBondContact O-CE2 3.27Å
292	G	97.9	Very high	96.5	Very high	23 Å²	23	18.3 Å²	18.3	24%	0.237	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	20.5	-179	0	0	0	0	0	114.3	L288 Q289 F290 P294	L288-G292 PolarHBondContact O-N 3.41Å; L288-G292 VanDerWaalsContact O-N 3.16Å; Q289-G292 WeakPolarHBondContact O-CA 3.33Å; Q289-G292 PolarHBondContact O-N 2.76Å; F290-G292 PolarHBondContact O-N 2.92Å; G292-P294 VanDerWaalsContact C-CD 3.48Å
293	Y	98.2	Very high	96.2	Very high	46 Å²	46	18.1 Å²	18.1	18%	0.18	10%	0.103	C	C	.	.			trans	-129.1	60.1	179.1	-56.5	-81.2	0	0	0	109.9	V222 E223 Q225 F226 L231 L288 L291	V222-Y293 WeakPolarHBondContact CB-O 3.25Å; V222-Y293 WeakPolarHBondContact CG1-O 3.39Å; E223-Y293 WeakPolarHBondContact O-CD1 3.43Å; Q225-Y293 WeakPolarHBondContact O-CE1 3.01Å; F226-Y293 AromaticContact CD2-CD1 3.98Å; F226-Y293 HydrophobicContact CD2-CD1 3.98Å; F226-Y293 AromaticContact CD2-CD2 3.81Å; F226-Y293 HydrophobicContact CD2-CD2 3.81Å; F226-Y293 HydrophobicContact CD2-CE1 4.46Å; F226-Y293 HydrophobicContact CD2-CE2 4.3Å; F226-Y293 AromaticContact CD2-CG 3.64Å; F226-Y293 HydrophobicContact CD2-CG 3.64Å; F226-Y293 AromaticContact CE2-CD2 3.75Å; F226-Y293 HydrophobicContact CE2-CD2 3.75Å; F226-Y293 HydrophobicContact CE2-CE2 4.38Å; F226-Y293 AromaticContact CE2-CG 3.94Å; F226-Y293 HydrophobicContact CE2-CG 3.94Å; L231-Y293 HydrophobicContact CD1-CE2 4.26Å; L288-Y293 WeakPolarHBondContact CB-O 3.48Å; L288-Y293 CarbonylContact O-C 3.53Å; L288-Y293 PolarHBondContact O-N 3.48Å; L291-Y293 HydrophobicContact CB-CD2 4.02Å; L291-Y293 WeakPolarHBondContact O-CD2 3.09Å; L291-Y293 WeakPolarHBondContact O-CE2 3.27Å
294	P	98.1	Very high	95.9	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.032	13%	0.134	C	C	.	.			trans	-59.2	153.2	-179.4	28.4	-35.8	0	0	0	111.4	V222 E223 G292 I296 N302 K310	V222-P294 WeakPolarHBondContact CA-O 3.33Å; E223-P294 PolarHBondContact N-O 3.06Å; G292-P294 VanDerWaalsContact C-CD 3.48Å; P294-I296 PolarHBondContact O-N 3.06Å; P294-N302 HydrophobicContact CB-CB 4.03Å; P294-N302 HydrophobicContact CG-CB 4.43Å; P294-N302 VanDerWaalsContact CG-OD1 3.3Å; P294-N302 WeakPolarHBondContact CG-OD1 3.37Å; P294-K310 HydrophobicContact CG-CD 4.18Å
295	I	98.4	Very high	95.6	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-64.7	130.3	174.8	-66.1	157	0	0	0	108.3	C220 L221 V222 R285 L288 D297 D298 N302 M372 L374	C220-I295 HydrophobicContact CB-CD1 4.47Å; C220-I295 HydrophobicContact CB-CG1 4.09Å; L221-I295 WeakPolarHBondContact O-CA 3.2Å; V222-I295 HydrophobicContact CG1-CG1 4.32Å; R285-I295 HydrophobicContact CB-CD1 4.31Å; R285-I295 HydrophobicContact CG-CD1 3.83Å; L288-I295 HydrophobicContact CD1-CD1 4.17Å; L288-I295 HydrophobicContact CD1-CG1 3.85Å; I295-D297 VanDerWaalsContact C-N 3.31Å; I295-D297 WeakPolarHBondContact CG2-OD1 3.49Å; I295-D297 PolarHBondContact O-N 3.3Å; I295-D298 HydrophobicContact CB-CB 3.97Å; I295-D298 HydrophobicContact CG2-CB 4.28Å; I295-D298 VanDerWaalsContact O-CB 3.32Å; I295-D298 WeakPolarHBondContact O-CB 3.38Å; I295-D298 PolarHBondContact O-N 2.8Å; I295-D298 VanDerWaalsContact O-N 3.09Å; I295-N302 WeakPolarHBondContact O-CB 3.49Å; I295-N302 PolarHBondContact O-ND2 2.85Å; I295-M372 HydrophobicContact CD1-SD 4.42Å; I295-M372 HydrophobicContact CG2-CG 3.88Å; I295-L374 HydrophobicContact CD1-CB 4.04Å; I295-L374 HydrophobicContact CD1-CD1 4.41Å; I295-L374 HydrophobicContact CD1-CD2 4.12Å; I295-L374 HydrophobicContact CD1-CG 4.41Å
296	I	96.6	Very high	95.5	Very high	58 Å²	58	23.8 Å²	23.8	30%	0.297	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-39	-163.5	-169.4	-176.7	0	0	0	114	L221 E223 L269 P294 N302	L221-I296 HydrophobicContact CB-CG2 4.26Å; L221-I296 HydrophobicContact CD2-CG2 3.94Å; L221-I296 HydrophobicContact CG-CG2 4Å; L221-I296 PolarHBondContact O-N 2.82Å; E223-I296 HydrophobicContact CG-CB 4.39Å; E223-I296 HydrophobicContact CG-CG1 4.18Å; L269-I296 HydrophobicContact CD1-CD1 3.56Å; L269-I296 HydrophobicContact CD2-CD1 3.43Å; L269-I296 VanDerWaalsContact CD2-CD1 3.43Å; L269-I296 HydrophobicContact CD2-CG1 4.13Å; L269-I296 HydrophobicContact CG-CD1 4.14Å; P294-I296 PolarHBondContact O-N 3.06Å; I296-N302 PolarHBondContact O-ND2 3.29Å
297	D	93.5	Very high	95.2	Very high	52 Å²	52	24.1 Å²	24.1	28%	0.278	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	16.9	-176.3	56.2	-1.7	0	0	0	112.1	I295 A299 S373	I295-D297 VanDerWaalsContact C-N 3.31Å; I295-D297 WeakPolarHBondContact CG2-OD1 3.49Å; I295-D297 PolarHBondContact O-N 3.3Å; D297-A299 PolarHBondContact O-N 3.49Å; D297-S373 WeakPolarHBondContact OD1-CB 3.5Å; D297-S373 PolarHBondContact OD1-N 2.93Å; D297-S373 PolarHBondContact OD1-OG 3.34Å; D297-S373 WeakPolarHBondContact OD2-CB 3.22Å; D297-S373 PolarHBondContact OD2-N 3.35Å; D297-S373 PolarHBondContact OD2-OG 3.3Å
298	D	94.6	Very high	94.9	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.011	17%	0.174	C	C	.	.			trans	-72.3	96.7	175	-168.7	-35.8	0	0	0	110.6	R285 I295 I300 Y301 N302 M372	R285-D298 IonicContact CZ-OD1 2.64Å; R285-D298 IonicContact CZ-OD2 2.71Å; R285-D298 IonicContact NE-OD1 2.77Å; R285-D298 IonicContact NE-OD2 2.72Å; R285-D298 PolarHBondContact NE-OD2 3.4Å; R285-D298 VanDerWaalsContact NH2-CG 3.27Å; R285-D298 IonicContact NH2-OD1 3.17Å; R285-D298 PolarHBondContact NH2-OD1 3.31Å; R285-D298 IonicContact NH2-OD2 3.98Å; R285-D298 PolarHBondContact NH2-OD2 2.87Å; I295-D298 HydrophobicContact CB-CB 3.97Å; I295-D298 HydrophobicContact CG2-CB 4.28Å; I295-D298 VanDerWaalsContact O-CB 3.32Å; I295-D298 WeakPolarHBondContact O-CB 3.38Å; I295-D298 PolarHBondContact O-N 2.8Å; I295-D298 VanDerWaalsContact O-N 3.09Å; D298-I300 PolarHBondContact O-N 3.13Å; D298-I300 PolarHBondContact OD1-N 3.09Å; D298-Y301 PolarHBondContact OD1-N 3.01Å; D298-Y301 WeakPolarHBondContact OD2-CD2 3.4Å; D298-N302 HydrophobicContact CB-CB 4.17Å; D298-N302 WeakPolarHBondContact O-CA 3.32Å; D298-N302 VanDerWaalsContact O-CB 3.28Å; D298-N302 WeakPolarHBondContact O-CB 3.39Å; D298-N302 PolarHBondContact O-N 2.77Å; D298-M372 HydrophobicContact CB-SD 4.34Å
299	A	88.7	Confident	94.7	Very high	39 Å²	39	33.8 Å²	33.8	32%	0.322	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-16.5	-179.2	0	0	0	0	0	114.6	D297 F331	D297-A299 PolarHBondContact O-N 3.49Å; A299-F331 VanDerWaalsContact O-CE1 3.28Å; A299-F331 WeakPolarHBondContact O-CE1 3.29Å
300	I	89.9	Confident	94.5	Very high	19 Å²	19	35.7 Å²	35.7	10%	0.097	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-62.1	179.8	-62.4	162.3	0	0	0	110.5	L246 D298 N302 C303 F306 F331	L246-I300 HydrophobicContact CD1-CG2 4.09Å; L246-I300 HydrophobicContact CD2-CD1 3.94Å; L246-I300 HydrophobicContact CD2-CG2 3.87Å; D298-I300 PolarHBondContact O-N 3.13Å; D298-I300 PolarHBondContact OD1-N 3.09Å; I300-N302 VanDerWaalsContact C-N 3.34Å; I300-N302 PolarHBondContact O-N 2.54Å; I300-C303 WeakPolarHBondContact O-CB 3.32Å; I300-F306 WeakPolarHBondContact O-CE2 3.35Å; I300-F331 HydrophobicContact CB-CE1 4.43Å; I300-F331 HydrophobicContact CB-CZ 4.18Å; I300-F331 HydrophobicContact CG1-CD1 4.47Å; I300-F331 HydrophobicContact CG1-CE1 3.99Å; I300-F331 HydrophobicContact CG1-CZ 4.2Å; I300-F331 HydrophobicContact CG2-CE2 4.21Å; I300-F331 HydrophobicContact CG2-CZ 4.07Å
301	Y	94.6	Very high	94.3	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-9.7	-169.6	-64.5	-72.5	0	0	0	113.9	M247 H282 R285 V286 Q289 D298 F306	M247-Y301 PolarHBondContact N-OH 2.78Å; M247-Y301 VanDerWaalsContact O-CE1 3.28Å; M247-Y301 WeakPolarHBondContact O-CE1 3.48Å; M247-Y301 PolarHBondContact O-OH 3.04Å; H282-Y301 HydrophobicContact CB-CE2 3.9Å; H282-Y301 AromaticContact CG-CE2 3.87Å; H282-Y301 AromaticContact ND1-CE2 3.41Å; H282-Y301 WeakPolarHBondContact ND1-CE2 3.42Å; H282-Y301 AromaticContact ND1-CZ 3.6Å; H282-Y301 PolarHBondContact ND1-OH 2.62Å; R285-Y301 HydrophobicContact CB-CD2 3.77Å; R285-Y301 HydrophobicContact CB-CE2 4.14Å; R285-Y301 HydrophobicContact CB-CG 4.44Å; V286-Y301 HydrophobicContact CG2-CD1 4.09Å; V286-Y301 HydrophobicContact CG2-CE1 3.53Å; V286-Y301 HydrophobicContact CG2-CE2 4.24Å; Q289-Y301 PolarHBondContact NE2-O 2.88Å; D298-Y301 PolarHBondContact OD1-N 3.01Å; D298-Y301 WeakPolarHBondContact OD2-CD2 3.4Å; Y301-F306 HydrophobicContact CD1-CZ 4.22Å; Y301-F306 HydrophobicContact CE1-CZ 4.43Å
302	N	94.7	Very high	94.3	Very high	24 Å²	24	36.9 Å²	36.9	13%	0.128	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	41.4	171.4	-162.8	22.7	0	0	0	112	E223 P294 I295 I296 D298 I300 K310	E223-N302 PolarHBondContact OE1-ND2 2.75Å; E223-N302 PolarHBondContact OE1-OD1 3.47Å; P294-N302 HydrophobicContact CB-CB 4.03Å; P294-N302 HydrophobicContact CG-CB 4.43Å; P294-N302 VanDerWaalsContact CG-OD1 3.3Å; P294-N302 WeakPolarHBondContact CG-OD1 3.37Å; I295-N302 WeakPolarHBondContact O-CB 3.49Å; I295-N302 PolarHBondContact O-ND2 2.85Å; I296-N302 PolarHBondContact O-ND2 3.29Å; D298-N302 HydrophobicContact CB-CB 4.17Å; D298-N302 WeakPolarHBondContact O-CA 3.32Å; D298-N302 VanDerWaalsContact O-CB 3.28Å; D298-N302 WeakPolarHBondContact O-CB 3.39Å; D298-N302 PolarHBondContact O-N 2.77Å; I300-N302 VanDerWaalsContact C-N 3.34Å; I300-N302 PolarHBondContact O-N 2.54Å; N302-K310 WeakPolarHBondContact OD1-CD 3.48Å; N302-K310 WeakPolarHBondContact OD1-CE 3.29Å; N302-K310 PolarHBondContact OD1-NZ 3.46Å
303	C	90.4	Very high	94.2	Very high	19 Å²	19	41.2 Å²	41.2	13%	0.128	23%	0.226	C	C	.	.	S	Bend	trans	-114.8	145.3	179.8	178.2	0	0	0	0	111.8	I300 V305 F306 H330 F331	I300-C303 WeakPolarHBondContact O-CB 3.32Å; C303-V305 HydrophobicContact CB-CG1 4.12Å; C303-V305 PolarHBondContact O-N 3.24Å; C303-F306 PolarHBondContact O-N 2.66Å; C303-F306 VanDerWaalsContact O-N 3.13Å; C303-H330 PolarHBondContact SG-NE2 2.84Å; C303-F331 HydrophobicContact CB-CZ 4.41Å
304	D	91.3	Very high	94	Very high	127 Å²	127	40.2 Å²	40.2	68%	0.679	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-61.8	-15.3	-179.4	-63.1	-26.5	0	0	0	113.8	F306 G307	D304-F306 PolarHBondContact O-N 3.15Å; D304-F306 VanDerWaalsContact O-N 3.14Å; D304-G307 PolarHBondContact O-N 3.36Å
305	V	92.5	Very high	93.9	Very high	16 Å²	16	43.6 Å²	43.6	10%	0.097	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-56.4	-28.9	173.1	75.2	0	0	0	0	112.1	C303 G307 L323 D326 V327 H330 F331	C303-V305 HydrophobicContact CB-CG1 4.12Å; C303-V305 PolarHBondContact O-N 3.24Å; V305-G307 PolarHBondContact O-N 3.31Å; V305-L323 WeakPolarHBondContact O-CD1 3.48Å; V305-D326 HydrophobicContact CG2-CB 3.7Å; V305-V327 HydrophobicContact CG1-CG2 3.91Å; V305-V327 HydrophobicContact CG2-CG2 3.93Å; V305-H330 HydrophobicContact CG2-CB 4.26Å; V305-F331 HydrophobicContact CG1-CE2 4.23Å
306	F	94.7	Very high	93.7	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-82.1	14.7	175.7	-69.5	-83.1	0	0	0	113.8	L240 Q289 I300 Y301 C303 D304 G311 Y316 L323 V327	L240-F306 HydrophobicContact CD2-CE1 3.79Å; L240-F306 HydrophobicContact CD2-CZ 4.04Å; Q289-F306 VanDerWaalsContact NE2-CG 3.34Å; I300-F306 WeakPolarHBondContact O-CE2 3.35Å; Y301-F306 HydrophobicContact CD1-CZ 4.22Å; Y301-F306 HydrophobicContact CE1-CZ 4.43Å; C303-F306 PolarHBondContact O-N 2.66Å; C303-F306 VanDerWaalsContact O-N 3.13Å; D304-F306 PolarHBondContact O-N 3.15Å; D304-F306 VanDerWaalsContact O-N 3.14Å; F306-G311 PolarHBondContact O-N 3.47Å; F306-Y316 HydrophobicContact CB-CD1 4.37Å; F306-Y316 AromaticContact CD1-CD1 3.78Å; F306-Y316 HydrophobicContact CD1-CD1 3.78Å; F306-Y316 AromaticContact CD1-CE1 3.75Å; F306-Y316 HydrophobicContact CD1-CE1 3.75Å; F306-Y316 HydrophobicContact CE1-CE1 4.37Å; F306-Y316 WeakPolarHBondContact O-CA 3.42Å; F306-L323 HydrophobicContact CD1-CD1 4.02Å; F306-L323 HydrophobicContact CD1-CD2 4.1Å; F306-L323 HydrophobicContact CE1-CD1 4.34Å; F306-L323 HydrophobicContact CE1-CD2 4.13Å; F306-V327 HydrophobicContact CE2-CG2 4.47Å; F306-V327 HydrophobicContact CZ-CG2 4.16Å
307	G	93.4	Very high	93.6	Very high	8 Å²	8	44.1 Å²	44.1	8%	0.082	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	176.9	176.1	0	0	0	0	0	113.8	D304 V305 N309 K310	D304-G307 PolarHBondContact O-N 3.36Å; V305-G307 PolarHBondContact O-N 3.31Å; G307-N309 VanDerWaalsContact C-N 3.25Å; G307-N309 PolarHBondContact O-N 2.9Å; G307-K310 WeakPolarHBondContact O-CA 3.34Å; G307-K310 PolarHBondContact O-N 2.85Å
308	P	92.2	Very high	93.7	Very high	117 Å²	117	44.6 Å²	44.6	76%	0.76	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.2	-172.4	25.6	-35	0	0	0	113.5	K310	P308-K310 VanDerWaalsContact C-N 3.33Å
309	N	93.4	Very high	93.7	Very high	87 Å²	87	48.1 Å²	48.1	47%	0.465	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	8.4	175.4	-65.3	-41.8	0	0	0	112.7	G307 G311 K312 D315	G307-N309 VanDerWaalsContact C-N 3.25Å; G307-N309 PolarHBondContact O-N 2.9Å; N309-G311 PolarHBondContact O-N 2.83Å; N309-G311 VanDerWaalsContact O-N 3.11Å; N309-K312 HydrophobicContact CB-CB 4.13Å; N309-K312 WeakPolarHBondContact O-CB 3.24Å; N309-K312 PolarHBondContact O-N 3.44Å; N309-D315 PolarHBondContact ND2-OD2 3.36Å; N309-D315 VanDerWaalsContact ND2-OD2 3.14Å
310	K	94.1	Very high	93.9	Very high	41 Å²	41	48 Å²	48	18%	0.178	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	37.7	179	-55.6	-179.2	176	-178.6	0	113.5	E223 Q289 P294 N302 G307 P308	E223-K310 IonicContact OE1-NZ 2.92Å; E223-K310 PolarHBondContact OE1-NZ 3.01Å; E223-K310 IonicContact OE2-NZ 3.7Å; E223-K310 PolarHBondContact OE2-NZ 3.18Å; Q289-K310 WeakPolarHBondContact CG-O 3.33Å; Q289-K310 PolarHBondContact NE2-O 3.48Å; P294-K310 HydrophobicContact CG-CD 4.18Å; N302-K310 WeakPolarHBondContact OD1-CD 3.48Å; N302-K310 WeakPolarHBondContact OD1-CE 3.29Å; N302-K310 PolarHBondContact OD1-NZ 3.46Å; G307-K310 WeakPolarHBondContact O-CA 3.34Å; G307-K310 PolarHBondContact O-N 2.85Å; P308-K310 VanDerWaalsContact C-N 3.33Å
311	G	95.2	Very high	93.9	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.01	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	10.5	179.3	0	0	0	0	0	116.3	F306 N309 N313 G314 D315	F306-G311 PolarHBondContact O-N 3.47Å; N309-G311 PolarHBondContact O-N 2.83Å; N309-G311 VanDerWaalsContact O-N 3.11Å; G311-N313 PolarHBondContact O-N 3.18Å; G311-G314 WeakPolarHBondContact O-CA 3.39Å; G311-G314 PolarHBondContact O-N 3.04Å; G311-D315 VanDerWaalsContact CA-O 3.27Å; G311-D315 WeakPolarHBondContact CA-O 3.5Å; G311-D315 PolarHBondContact N-O 2.83Å
312	K	97.4	Very high	93.9	Very high	87 Å²	87	57.6 Å²	57.6	38%	0.378	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-54	134.4	173.5	-175.7	177.3	-175.1	173.5	0	110.9	F290 N309 G314 D315	F290-K312 CarbonylContact O-C 3.59Å; F290-K312 WeakPolarHBondContact O-CA 3.28Å; N309-K312 HydrophobicContact CB-CB 4.13Å; N309-K312 WeakPolarHBondContact O-CB 3.24Å; N309-K312 PolarHBondContact O-N 3.44Å; K312-G314 PolarHBondContact O-N 2.72Å; K312-G314 VanDerWaalsContact O-N 3.08Å; K312-D315 WeakPolarHBondContact O-CB 3.38Å; K312-D315 PolarHBondContact O-N 2.85Å
313	N	97.2	Very high	93.8	Very high	114 Å²	114	56.4 Å²	56.4	61%	0.61	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	55.5	17	-173.3	-60.4	-39.8	0	0	0	114.6	F290 G311	F290-N313 VanDerWaalsContact CE2-CA 3.46Å; F290-N313 WeakPolarHBondContact CE2-O 3.25Å; F290-N313 PolarHBondContact O-N 3.23Å; G311-N313 PolarHBondContact O-N 3.18Å
314	G	94.2	Very high	93.8	Very high	26 Å²	26	58.6 Å²	58.6	27%	0.268	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	74.2	14.1	-171.9	0	0	0	0	0	113.8	G311 K312 Y316	G311-G314 WeakPolarHBondContact O-CA 3.39Å; G311-G314 PolarHBondContact O-N 3.04Å; K312-G314 PolarHBondContact O-N 2.72Å; K312-G314 VanDerWaalsContact O-N 3.08Å; G314-Y316 WeakPolarHBondContact O-CD2 3.39Å; G314-Y316 WeakPolarHBondContact O-CE2 3.38Å; G314-Y316 PolarHBondContact O-N 3.48Å
315	D	95.5	Very high	93.7	Very high	76 Å²	76	58 Å²	58	41%	0.406	32%	0.322	S	S	.	.			trans	-82.9	108.3	173.3	175.4	23.5	0	0	0	110.4	N309 G311 K312 G317	N309-D315 PolarHBondContact ND2-OD2 3.36Å; N309-D315 VanDerWaalsContact ND2-OD2 3.14Å; G311-D315 VanDerWaalsContact CA-O 3.27Å; G311-D315 WeakPolarHBondContact CA-O 3.5Å; G311-D315 PolarHBondContact N-O 2.83Å; K312-D315 WeakPolarHBondContact O-CB 3.38Å; K312-D315 PolarHBondContact O-N 2.85Å; D315-G317 PolarHBondContact OD1-N 2.89Å
316	Y	94.7	Very high	93.5	Very high	13 Å²	13	59.2 Å²	59.2	5%	0.051	33%	0.327	C	S	.	.			trans	-100.1	-1.1	178.7	-52.1	-59.7	0	0	0	113.3	F306 G314 K318 L323	F306-Y316 HydrophobicContact CB-CD1 4.37Å; F306-Y316 AromaticContact CD1-CD1 3.78Å; F306-Y316 HydrophobicContact CD1-CD1 3.78Å; F306-Y316 AromaticContact CD1-CE1 3.75Å; F306-Y316 HydrophobicContact CD1-CE1 3.75Å; F306-Y316 HydrophobicContact CE1-CE1 4.37Å; F306-Y316 WeakPolarHBondContact O-CA 3.42Å; G314-Y316 WeakPolarHBondContact O-CD2 3.39Å; G314-Y316 WeakPolarHBondContact O-CE2 3.38Å; G314-Y316 PolarHBondContact O-N 3.48Å; Y316-K318 PolarHBondContact O-N 2.99Å; Y316-L323 HydrophobicContact CD1-CD2 3.74Å; Y316-L323 HydrophobicContact CD2-CD2 3.55Å; Y316-L323 HydrophobicContact CE1-CD2 4.04Å; Y316-L323 HydrophobicContact CE2-CD2 3.85Å; Y316-L323 HydrophobicContact CG-CD2 3.49Å; Y316-L323 VanDerWaalsContact CG-CD2 3.49Å
317	G	93.5	Very high	93.2	Very high	57 Å²	57	59.1 Å²	59.1	59%	0.588	33%	0.327	S	S	*	.	S	Bend	trans	65.9	7.7	-172.2	0	0	0	0	0	115.1	D315	D315-G317 PolarHBondContact OD1-N 2.89Å
318	K	95	Very high	92.6	Very high	61 Å²	61	62.9 Å²	62.9	27%	0.265	34%	0.339	S	S	.	.	S	Bend	trans	-158.6	161.7	-179.1	67.9	-166.6	74.3	175.1	0	111.8	Y316 Q322 L323 D326	Y316-K318 PolarHBondContact O-N 2.99Å; K318-Q322 HydrophobicContact CD-CG 4.19Å; K318-L323 HydrophobicContact CD-CB 4.29Å; K318-L323 HydrophobicContact CG-CB 4.16Å; K318-D326 WeakPolarHBondContact CD-OD2 3.43Å; K318-D326 WeakPolarHBondContact CE-OD2 3.49Å; K318-D326 IonicContact NZ-OD2 3.31Å; K318-D326 PolarHBondContact NZ-OD2 2.99Å
319	P	94.6	Very high	92	Very high	77 Å²	77	63.2 Å²	63.2	50%	0.5	33%	0.334	S	S	.	.			trans	-59.4	152.2	172.8	-22.8	34.5	0	0	0	112.7	E321 Q322 L323	P319-E321 VanDerWaalsContact C-N 3.29Å; P319-E321 PolarHBondContact O-N 3.28Å; P319-Q322 PolarHBondContact O-N 3.4Å; P319-Q322 VanDerWaalsContact O-N 3.14Å; P319-L323 PolarHBondContact O-N 3.44Å
320	V	92.5	Very high	91.4	Very high	35 Å²	35	63.9 Å²	63.9	21%	0.212	33%	0.333	C	S	.	.	H	α-helix	trans	-62.4	-36.8	-176.4	175.2	0	0	0	0	111.8	L240 Q322 L323 E324	L240-V320 HydrophobicContact CD1-CG1 4.1Å; V320-Q322 VanDerWaalsContact C-N 3.29Å; V320-Q322 PolarHBondContact O-N 3.47Å; V320-L323 WeakPolarHBondContact O-CB 3.27Å; V320-L323 PolarHBondContact O-N 3.48Å; V320-E324 PolarHBondContact O-N 3.46Å
321	E	91.8	Very high	90.3	Very high	129 Å²	129	62.5 Å²	62.5	60%	0.603	33%	0.328	S	S	*	.	H	α-helix	trans	-63.2	-38.5	178.4	-63.1	71.4	-157.5	0	0	111.2	P319 Q325	P319-E321 VanDerWaalsContact C-N 3.29Å; P319-E321 PolarHBondContact O-N 3.28Å; E321-Q325 WeakPolarHBondContact O-CG 3.33Å; E321-Q325 PolarHBondContact O-N 2.9Å
322	Q	93.7	Very high	88.3	Confident	93 Å²	93	64.6 Å²	64.6	44%	0.435	34%	0.34	S	S	.	.	H	α-helix	trans	-72.6	-41.4	175	-173.1	176.9	-1.4	0	0	111.1	K318 P319 V320 E324 Q325 D326	K318-Q322 HydrophobicContact CD-CG 4.19Å; P319-Q322 PolarHBondContact O-N 3.4Å; P319-Q322 VanDerWaalsContact O-N 3.14Å; V320-Q322 VanDerWaalsContact C-N 3.29Å; V320-Q322 PolarHBondContact O-N 3.47Å; Q322-E324 VanDerWaalsContact C-N 3.3Å; Q322-E324 PolarHBondContact O-N 2.98Å; Q322-Q325 WeakPolarHBondContact O-CB 3.48Å; Q322-Q325 PolarHBondContact O-N 3.19Å; Q322-Q325 VanDerWaalsContact O-N 3.16Å; Q322-D326 PolarHBondContact O-N 3.16Å
323	L	93.1	Very high	86	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-57.2	-43.3	174	176.9	68.7	0	0	0	111.8	L240 V305 F306 Y316 K318 P319 V320 Q325 D326 V327	L240-L323 HydrophobicContact CD1-CD2 3.93Å; L240-L323 HydrophobicContact CD1-CG 4.24Å; L240-L323 HydrophobicContact CD2-CD2 4.04Å; L240-L323 HydrophobicContact CD2-CG 4.25Å; V305-L323 WeakPolarHBondContact O-CD1 3.48Å; F306-L323 HydrophobicContact CD1-CD1 4.02Å; F306-L323 HydrophobicContact CD1-CD2 4.1Å; F306-L323 HydrophobicContact CE1-CD1 4.34Å; F306-L323 HydrophobicContact CE1-CD2 4.13Å; Y316-L323 HydrophobicContact CD1-CD2 3.74Å; Y316-L323 HydrophobicContact CD2-CD2 3.55Å; Y316-L323 HydrophobicContact CE1-CD2 4.04Å; Y316-L323 HydrophobicContact CE2-CD2 3.85Å; Y316-L323 HydrophobicContact CG-CD2 3.49Å; Y316-L323 VanDerWaalsContact CG-CD2 3.49Å; K318-L323 HydrophobicContact CD-CB 4.29Å; K318-L323 HydrophobicContact CG-CB 4.16Å; P319-L323 PolarHBondContact O-N 3.44Å; V320-L323 WeakPolarHBondContact O-CB 3.27Å; V320-L323 PolarHBondContact O-N 3.48Å; L323-Q325 VanDerWaalsContact C-N 3.3Å; L323-Q325 PolarHBondContact O-N 3.47Å; L323-D326 PolarHBondContact O-N 3.33Å; L323-V327 HydrophobicContact CD1-CG2 3.93Å; L323-V327 HydrophobicContact CG-CG2 4.2Å; L323-V327 VanDerWaalsContact O-CB 3.3Å; L323-V327 WeakPolarHBondContact O-CB 3.24Å; L323-V327 VanDerWaalsContact O-CG2 3.24Å; L323-V327 WeakPolarHBondContact O-CG2 3.35Å; L323-V327 PolarHBondContact O-N 3.35Å
324	E	90	Very high	83.5	Confident	64 Å²	64	61.1 Å²	61.1	30%	0.299	33%	0.329	S	S	.	.	H	α-helix	trans	-59.8	-41.7	177.3	-173	-174.4	155.6	0	0	111.4	L240 F241 V320 Q322 R328	L240-E324 HydrophobicContact CD1-CB 4.35Å; F241-E324 HydrophobicContact CB-CG 4.49Å; F241-E324 HydrophobicContact CD2-CG 3.95Å; F241-E324 WeakPolarHBondContact CD2-OE1 3.49Å; V320-E324 PolarHBondContact O-N 3.46Å; Q322-E324 VanDerWaalsContact C-N 3.3Å; Q322-E324 PolarHBondContact O-N 2.98Å; E324-R328 WeakPolarHBondContact O-CB 3.38Å; E324-R328 PolarHBondContact O-N 2.88Å
325	Q	88.4	Confident	81.2	Confident	116 Å²	116	62 Å²	62	54%	0.542	33%	0.33	S	S	.	.	H	α-helix	trans	-65.2	-46.5	175.8	-68.1	175.1	20.6	0	0	111.8	E321 Q322 L323 V327 R328 L329	E321-Q325 WeakPolarHBondContact O-CG 3.33Å; E321-Q325 PolarHBondContact O-N 2.9Å; Q322-Q325 WeakPolarHBondContact O-CB 3.48Å; Q322-Q325 PolarHBondContact O-N 3.19Å; Q322-Q325 VanDerWaalsContact O-N 3.16Å; L323-Q325 VanDerWaalsContact C-N 3.3Å; L323-Q325 PolarHBondContact O-N 3.47Å; Q325-V327 PolarHBondContact O-N 2.83Å; Q325-R328 WeakPolarHBondContact O-CB 3.26Å; Q325-R328 PolarHBondContact O-N 2.87Å; Q325-L329 WeakPolarHBondContact O-CG 3.36Å; Q325-L329 PolarHBondContact O-N 3.2Å
326	D	89.8	Confident	78.9	Confident	40 Å²	40	60.3 Å²	60.3	21%	0.214	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-43.1	180	-68.5	-9.7	0	0	0	111.4	V305 K318 Q322 L323 L329 H330	V305-D326 HydrophobicContact CG2-CB 3.7Å; K318-D326 WeakPolarHBondContact CD-OD2 3.43Å; K318-D326 WeakPolarHBondContact CE-OD2 3.49Å; K318-D326 IonicContact NZ-OD2 3.31Å; K318-D326 PolarHBondContact NZ-OD2 2.99Å; Q322-D326 PolarHBondContact O-N 3.16Å; L323-D326 PolarHBondContact O-N 3.33Å; D326-L329 PolarHBondContact O-N 3.06Å; D326-H330 VanDerWaalsContact O-CB 3.27Å; D326-H330 WeakPolarHBondContact O-CB 2.91Å; D326-H330 PolarHBondContact O-N 2.99Å
327	V	87	Confident	76.1	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-42.9	175.4	166	0	0	0	0	110.7	L240 M244 L246 V305 F306 L323 Q325 L329 H330 F331	L240-V327 HydrophobicContact CD2-CG1 4.48Å; L240-V327 HydrophobicContact CD2-CG2 4.14Å; M244-V327 HydrophobicContact CE-CG1 3.84Å; L246-V327 HydrophobicContact CD1-CG1 3.56Å; V305-V327 HydrophobicContact CG1-CG2 3.91Å; V305-V327 HydrophobicContact CG2-CG2 3.93Å; F306-V327 HydrophobicContact CE2-CG2 4.47Å; F306-V327 HydrophobicContact CZ-CG2 4.16Å; L323-V327 HydrophobicContact CD1-CG2 3.93Å; L323-V327 HydrophobicContact CG-CG2 4.2Å; L323-V327 VanDerWaalsContact O-CB 3.3Å; L323-V327 WeakPolarHBondContact O-CB 3.24Å; L323-V327 VanDerWaalsContact O-CG2 3.24Å; L323-V327 WeakPolarHBondContact O-CG2 3.35Å; L323-V327 PolarHBondContact O-N 3.35Å; Q325-V327 PolarHBondContact O-N 2.83Å; V327-L329 VanDerWaalsContact C-N 3.31Å; V327-L329 PolarHBondContact O-N 3.04Å; V327-H330 PolarHBondContact O-N 2.96Å; V327-F331 HydrophobicContact CB-CD2 4.42Å; V327-F331 HydrophobicContact CG1-CD2 3.67Å; V327-F331 HydrophobicContact CG1-CE2 3.98Å; V327-F331 VanDerWaalsContact O-CD2 3.26Å; V327-F331 WeakPolarHBondContact O-CD2 3.15Å; V327-F331 PolarHBondContact O-N 3.22Å
328	R	80.4	Confident	73.3	Confident	86 Å²	86	64 Å²	64	33%	0.325	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-41.2	175.1	176.2	-173.1	-94.5	129.6	-12.7	111.8	F241 E324 Q325	F241-R328 VanDerWaalsContact CE2-CZ 3.47Å; F241-R328 HydrophobicContact CZ-CG 4.46Å; E324-R328 WeakPolarHBondContact O-CB 3.38Å; E324-R328 PolarHBondContact O-N 2.88Å; Q325-R328 WeakPolarHBondContact O-CB 3.26Å; Q325-R328 PolarHBondContact O-N 2.87Å
329	L	81.1	Confident	70.3	Confident	125 Å²	125	64.2 Å²	64.2	65%	0.654	33%	0.328	S	S	*	.	H	α-helix	trans	-74	-32.1	178.9	-70.6	172.6	0	0	0	112.7	Q325 D326 V327 T332	Q325-L329 WeakPolarHBondContact O-CG 3.36Å; Q325-L329 PolarHBondContact O-N 3.2Å; D326-L329 PolarHBondContact O-N 3.06Å; V327-L329 VanDerWaalsContact C-N 3.31Å; V327-L329 PolarHBondContact O-N 3.04Å; L329-T332 WeakPolarHBondContact O-CG2 3.31Å
330	H	79.9	Confident	67.3	Low	100 Å²	100	64 Å²	64	46%	0.463	33%	0.326	S	S	.	.	H	α-helix	trans	-78	-44.1	-178.9	-169.6	79.3	0	0	0	112.1	C303 V305 D326 V327 T332	C303-H330 PolarHBondContact SG-NE2 2.84Å; V305-H330 HydrophobicContact CG2-CB 4.26Å; D326-H330 VanDerWaalsContact O-CB 3.27Å; D326-H330 WeakPolarHBondContact O-CB 2.91Å; D326-H330 PolarHBondContact O-N 2.99Å; V327-H330 PolarHBondContact O-N 2.96Å; H330-T332 PolarHBondContact O-N 3.02Å
331	F	71.9	Confident	64.3	Low	13 Å²	13	71.8 Å²	71.8	6%	0.057	36%	0.357	C	S	.	.	S	Bend	trans	-95.1	65.8	175.3	-55.1	-72.5	0	0	0	109.6	M244 A299 I300 C303 V305 V327	M244-F331 HydrophobicContact CE-CB 4.04Å; M244-F331 HydrophobicContact CE-CD2 4.45Å; M244-F331 HydrophobicContact SD-CB 4.11Å; A299-F331 VanDerWaalsContact O-CE1 3.28Å; A299-F331 WeakPolarHBondContact O-CE1 3.29Å; I300-F331 HydrophobicContact CB-CE1 4.43Å; I300-F331 HydrophobicContact CB-CZ 4.18Å; I300-F331 HydrophobicContact CG1-CD1 4.47Å; I300-F331 HydrophobicContact CG1-CE1 3.99Å; I300-F331 HydrophobicContact CG1-CZ 4.2Å; I300-F331 HydrophobicContact CG2-CE2 4.21Å; I300-F331 HydrophobicContact CG2-CZ 4.07Å; C303-F331 HydrophobicContact CB-CZ 4.41Å; V305-F331 HydrophobicContact CG1-CE2 4.23Å; V327-F331 HydrophobicContact CB-CD2 4.42Å; V327-F331 HydrophobicContact CG1-CD2 3.67Å; V327-F331 HydrophobicContact CG1-CE2 3.98Å; V327-F331 VanDerWaalsContact O-CD2 3.26Å; V327-F331 WeakPolarHBondContact O-CD2 3.15Å; V327-F331 PolarHBondContact O-N 3.22Å
332	T	53.5	Low	61.3	Low	45 Å²	45	67.5 Å²	67.5	28%	0.276	34%	0.341	S	S	.	.			trans	-63.3	165.7	174.7	60.6	0	0	0	0	111.7	L329 H330 D334 T335 W336	L329-T332 WeakPolarHBondContact O-CG2 3.31Å; H330-T332 PolarHBondContact O-N 3.02Å; T332-D334 PolarHBondContact O-N 3.37Å; T332-T335 PolarHBondContact O-N 3.2Å; T332-W336 PolarHBondContact O-N 2.83Å
333	A	48.2	Very low	58.1	Low	26 Å²	26	71.8 Å²	71.8	22%	0.215	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-22.3	-179.2	0	0	0	0	0	115.8	T335 L337	A333-T335 VanDerWaalsContact C-N 3.25Å; A333-T335 PolarHBondContact O-N 2.94Å; A333-L337 WeakPolarHBondContact CA-O 3.3Å; A333-L337 WeakPolarHBondContact CB-O 3.46Å
334	D	44.1	Very low	55	Low	102 Å²	102	77 Å²	77	55%	0.545	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.9	174.1	-58.7	-53.8	0	0	0	112.7	T332 S342	T332-D334 PolarHBondContact O-N 3.37Å; D334-S342 PolarHBondContact OD2-OG 2.82Å
335	T	46.8	Very low	52.3	Low	45 Å²	45	77.5 Å²	77.5	28%	0.276	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-45.8	-176.5	-38.9	0	0	0	0	111.3	T332 A333	T332-T335 PolarHBondContact O-N 3.2Å; A333-T335 VanDerWaalsContact C-N 3.25Å; A333-T335 PolarHBondContact O-N 2.94Å
336	W	47.5	Very low	49.5	Very low	40 Å²	40	79.2 Å²	79.2	15%	0.152	41%	0.408	C	S	.	.	S	Bend	trans	-149.2	-19.4	-175.2	-71.2	102.7	0	0	0	120	R187 T332 E369 L370	R187-W336 VanDerWaalsContact NH1-CH2 3.27Å; R187-W336 VanDerWaalsContact NH1-CZ3 3.31Å; T332-W336 PolarHBondContact O-N 2.83Å; W336-E369 WeakPolarHBondContact CH2-O 3.27Å; W336-E369 HydrophobicContact CZ2-CB 4.11Å; W336-E369 WeakPolarHBondContact CZ2-O 3.45Å; W336-L370 HydrophobicContact CH2-CD2 4.14Å
337	L	35.4	Very low	46.8	Very low	61 Å²	61	81.3 Å²	81.3	32%	0.319	42%	0.422	S	S	.	.			trans	-157.7	143.8	-174.4	-93.2	116.9	0	0	0	117.2	S243 M244 A333 D339	S243-L337 VanDerWaalsContact O-CD2 3.24Å; S243-L337 WeakPolarHBondContact O-CD2 3.5Å; M244-L337 HydrophobicContact CB-CD1 3.6Å; M244-L337 HydrophobicContact CB-CG 4.49Å; M244-L337 HydrophobicContact CG-CB 3.93Å; M244-L337 HydrophobicContact CG-CD1 3.52Å; M244-L337 HydrophobicContact CG-CD2 4.2Å; M244-L337 HydrophobicContact CG-CG 4.04Å; M244-L337 HydrophobicContact SD-CB 4.27Å; M244-L337 HydrophobicContact SD-CD1 4.08Å; A333-L337 WeakPolarHBondContact CA-O 3.3Å; A333-L337 WeakPolarHBondContact CB-O 3.46Å; L337-D339 PolarHBondContact O-N 3.3Å
338	D	35.4	Very low	44.2	Very low	86 Å²	86	87.4 Å²	87.4	46%	0.46	45%	0.45	S	S	.	.			trans	-47.2	95.8	161.2	-85.6	-10.9	0	0	0	111.5	Y84	Y84-D338 HydrophobicContact CD1-CB 3.94Å; Y84-D338 WeakPolarHBondContact CD1-OD1 3.21Å; Y84-D338 HydrophobicContact CD2-CB 4.3Å; Y84-D338 VanDerWaalsContact CE1-OD1 3.26Å; Y84-D338 WeakPolarHBondContact CE1-OD1 3.25Å; Y84-D338 HydrophobicContact CG-CB 3.8Å
339	D	32.1	Very low	42	Very low	65 Å²	65	91.7 Å²	91.7	35%	0.348	47%	0.472	S	S	.	.			trans	-167.5	145.7	147.5	-137	-8.9	0	0	0	113.9	L337	L337-D339 PolarHBondContact O-N 3.3Å
340	T	29.6	Very low	40.1	Very low	73 Å²	73	88.3 Å²	88.3	45%	0.448	46%	0.456	S	S	.	.	S	Bend	trans	32.7	115.6	164.9	53.4	0	0	0	0	122.1	S342	T340-S342 PolarHBondContact O-N 2.82Å
341	K	29.8	Very low	38.6	Very low	198 Å²	198	93 Å²	93	86%	0.861	48%	0.478	S	S	*	.			trans	64.3	36.7	144.2	-58.3	-172.2	178.7	-176.6	0	118.8	E343	K341-E343 PolarHBondContact O-N 3.37Å
342	S	29.2	Very low	37.6	Very low	40 Å²	40	100.3 Å²	100.3	28%	0.28	51%	0.512	S	S	.	.			trans	-70.9	109.2	147.6	-68.3	0	0	0	0	106.7	D334 T340 V344	D334-S342 PolarHBondContact OD2-OG 2.82Å; T340-S342 PolarHBondContact O-N 2.82Å; S342-V344 PolarHBondContact O-N 2.63Å
343	E	26.9	Very low	37.7	Very low	183 Å²	183	101.2 Å²	101.2	86%	0.855	53%	0.531	S	S	*	.			trans	-45.4	118.7	166.8	-69.4	-179.1	158.3	0	0	107.9	K341 V345	K341-E343 PolarHBondContact O-N 3.37Å; E343-V345 PolarHBondContact O-N 3.07Å
344	V	29	Very low	38.4	Very low	110 Å²	110	101.4 Å²	101.4	67%	0.667	53%	0.531	S	S	*	.			trans	29.4	94.8	155.3	-171.9	0	0	0	0	111	S342 Q346	S342-V344 PolarHBondContact O-N 2.63Å; V344-Q346 WeakPolarHBondContact O-CA 3.35Å; V344-Q346 PolarHBondContact O-N 3.03Å
345	V	33.4	Very low	39.4	Very low	73 Å²	73	97.4 Å²	97.4	44%	0.442	51%	0.51	S	S	.	.			trans	-39.9	103.5	150	169.1	0	0	0	0	103.5	E343 V347	E343-V345 PolarHBondContact O-N 3.07Å; V345-V347 VanDerWaalsContact C-N 3.26Å; V345-V347 PolarHBondContact O-N 2.87Å
346	Q	28.1	Very low	40.1	Very low	152 Å²	152	102.6 Å²	102.6	71%	0.71	53%	0.531	S	S	*	.			trans	-57.5	110.8	-176.6	-78.7	-174.5	-10	0	0	101.8	V344 Q348	V344-Q346 WeakPolarHBondContact O-CA 3.35Å; V344-Q346 PolarHBondContact O-N 3.03Å; Q346-Q348 PolarHBondContact O-N 3.19Å
347	V	32.8	Very low	40.9	Very low	84 Å²	84	103.3 Å²	103.3	51%	0.509	54%	0.538	S	S	.	.			trans	-65.7	76.7	165.5	-178.5	0	0	0	0	102.6	V345 K349	V345-V347 VanDerWaalsContact C-N 3.26Å; V345-V347 PolarHBondContact O-N 2.87Å; V347-K349 HydrophobicContact CG1-CG 4.07Å; V347-K349 PolarHBondContact O-N 3.27Å
348	Q	33.4	Very low	42.6	Very low	128 Å²	128	102.5 Å²	102.5	60%	0.598	54%	0.537	S	S	*	.			trans	-59.3	102.5	146.9	-68.7	-171	0	0	0	101.4	Q346 T350	Q346-Q348 PolarHBondContact O-N 3.19Å; Q348-T350 HydrophobicContact CB-CG2 4.2Å; Q348-T350 PolarHBondContact O-N 2.99Å; Q348-T350 PolarHBondContact O-OG1 2.81Å
349	K	34.3	Very low	44.1	Very low	177 Å²	177	106.6 Å²	106.6	77%	0.77	55%	0.546	S	S	*	.			trans	-57.8	74.8	159.1	-71	-178.5	178.5	177.9	0	106	V347	V347-K349 HydrophobicContact CG1-CG 4.07Å; V347-K349 PolarHBondContact O-N 3.27Å
350	T	39.8	Very low	46	Very low	53 Å²	53	105.4 Å²	105.4	33%	0.325	54%	0.539	S	S	.	.			trans	-92.1	114.5	159.6	42.5	0	0	0	0	102.5	Q348 E352 C354	Q348-T350 HydrophobicContact CB-CG2 4.2Å; Q348-T350 PolarHBondContact O-N 2.99Å; Q348-T350 PolarHBondContact O-OG1 2.81Å; T350-E352 PolarHBondContact O-N 2.87Å; T350-C354 PolarHBondContact O-SG 2.95Å
351	E	48.9	Very low	47.9	Very low	198 Å²	198	107.5 Å²	107.5	93%	0.925	54%	0.542	S	S	*	.	S	Bend	trans	-61.2	-22	-179.5	-66.2	176.5	165.6	0	0	110.6
352	E	51.9	Low	50.2	Low	167 Å²	167	101.6 Å²	101.6	78%	0.78	52%	0.517	S	S	*	.	S	Bend	trans	-91.4	126.9	176.5	-70.7	-179.1	161.5	0	0	113.7	T350 C354	T350-E352 PolarHBondContact O-N 2.87Å; E352-C354 VanDerWaalsContact C-N 3.33Å; E352-C354 PolarHBondContact O-N 2.87Å
353	G	56	Low	52.7	Low	65 Å²	65	107.7 Å²	107.7	67%	0.67	53%	0.534	S	S	*	.	S	Bend	trans	83.8	-2.2	169.1	0	0	0	0	0	115.8
354	C	62.4	Low	55.6	Low	30 Å²	30	101.6 Å²	101.6	20%	0.203	51%	0.507	C	S	.	.	S	Bend	trans	-74.8	147.5	165.8	-69.2	0	0	0	0	110	T350 E352 E356	T350-C354 PolarHBondContact O-SG 2.95Å; E352-C354 VanDerWaalsContact C-N 3.33Å; E352-C354 PolarHBondContact O-N 2.87Å; C354-E356 PolarHBondContact O-N 3.36Å
355	C	65.3	Low	58.4	Low	17 Å²	17	97.5 Å²	97.5	12%	0.115	48%	0.482	C	S	.	.			trans	-62.9	127.5	168.6	172.8	0	0	0	0	111.1	H124 H126 L357 C358 R359 L360	H124-C355 PolarHBondContact CE1-SG 3.34Å; H124-C355 PolarHBondContact ND1-SG 3.09Å; H126-C355 VanDerWaalsContact CE1-CB 3.4Å; H126-C355 WeakPolarHBondContact CE1-CB 3.49Å; H126-C355 VanDerWaalsContact CE1-SG 3.5Å; C355-L357 PolarHBondContact O-N 3.41Å; C355-L357 VanDerWaalsContact O-N 3.15Å; C355-L357 PolarHBondContact SG-N 3.06Å; C355-L357 VanDerWaalsContact SG-N 3.38Å; C355-C358 WeakPolarHBondContact CB-SG 3.44Å; C355-C358 PolarHBondContact O-N 3.02Å; C355-C358 PolarHBondContact SG-SG 3.13Å; C355-R359 WeakPolarHBondContact O-CA 3.43Å; C355-R359 PolarHBondContact O-N 3.04Å; C355-L360 PolarHBondContact N-O 3.47Å
356	E	61	Low	61	Low	154 Å²	154	96.1 Å²	96.1	72%	0.72	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.1	179.4	-63.3	174.7	-178	0	0	113.1	C354	C354-E356 PolarHBondContact O-N 3.36Å
357	L	63.8	Low	63.8	Low	56 Å²	56	92.3 Å²	92.3	29%	0.293	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-34.3	-174.2	-60.7	176.2	0	0	0	114.2	C15 W59 C355	C15-L357 HydrophobicContact CB-CD2 4.49Å; W59-L357 HydrophobicContact CZ2-CD1 3.96Å; C355-L357 PolarHBondContact O-N 3.41Å; C355-L357 VanDerWaalsContact O-N 3.15Å; C355-L357 PolarHBondContact SG-N 3.06Å; C355-L357 VanDerWaalsContact SG-N 3.38Å
358	C	71.2	Confident	66.4	Low	44 Å²	44	92.2 Å²	92.2	30%	0.297	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-6	-176	68.4	0	0	0	0	114.4	H126 C355 L360	H126-C358 PolarHBondContact NE2-SG 2.78Å; C355-C358 WeakPolarHBondContact CB-SG 3.44Å; C355-C358 PolarHBondContact O-N 3.02Å; C355-C358 PolarHBondContact SG-SG 3.13Å; C358-L360 HydrophobicContact CB-CD1 4.2Å; C358-L360 HydrophobicContact CB-CG 4.09Å; C358-L360 PolarHBondContact O-N 3.22Å; C358-L360 VanDerWaalsContact O-N 3.12Å; C358-L360 VanDerWaalsContact SG-CB 3.58Å; C358-L360 VanDerWaalsContact SG-CG 3.56Å
359	R	67.8	Low	69	Low	171 Å²	171	87.7 Å²	87.7	65%	0.645	45%	0.445	S	S	*	.			trans	53.3	25.8	-176	-57	-176.6	-176	169.4	-1.1	114.1	C355	C355-R359 WeakPolarHBondContact O-CA 3.43Å; C355-R359 PolarHBondContact O-N 3.04Å
360	L	71	Confident	71.8	Confident	41 Å²	41	79.2 Å²	79.2	22%	0.215	41%	0.408	C	S	.	.			trans	-90.8	142.5	175.1	-59.4	176.3	0	0	0	110	C355 C358 F362	C355-L360 PolarHBondContact N-O 3.47Å; C358-L360 HydrophobicContact CB-CD1 4.2Å; C358-L360 HydrophobicContact CB-CG 4.09Å; C358-L360 PolarHBondContact O-N 3.22Å; C358-L360 VanDerWaalsContact O-N 3.12Å; C358-L360 VanDerWaalsContact SG-CB 3.58Å; C358-L360 VanDerWaalsContact SG-CG 3.56Å; L360-F362 HydrophobicContact CB-CE2 3.84Å; L360-F362 HydrophobicContact CB-CZ 3.97Å; L360-F362 HydrophobicContact CD1-CE2 4.38Å; L360-F362 HydrophobicContact CD1-CZ 3.88Å
361	K	69.8	Low	74.3	Confident	117 Å²	117	79.3 Å²	79.3	51%	0.509	41%	0.405	S	S	.	.			trans	-121	130.4	169.2	-174.5	172.8	-176.4	169.6	0	108
362	F	77.6	Confident	76.5	Confident	74 Å²	74	70 Å²	70	33%	0.325	36%	0.361	S	S	.	.			trans	-107.9	140	176.1	-62.7	-78	0	0	0	108.9	H126 L360	H126-F362 HydrophobicContact CB-CD2 3.78Å; H126-F362 HydrophobicContact CB-CE2 3.44Å; H126-F362 VanDerWaalsContact CB-CE2 3.44Å; H126-F362 HydrophobicContact CB-CZ 4.17Å; H126-F362 AromaticContact CD2-CE2 3.7Å; H126-F362 AromaticContact CG-CD2 3.91Å; H126-F362 AromaticContact CG-CE2 3.33Å; H126-F362 AromaticContact ND1-CE2 3.79Å; L360-F362 HydrophobicContact CB-CE2 3.84Å; L360-F362 HydrophobicContact CB-CZ 3.97Å; L360-F362 HydrophobicContact CD1-CE2 4.38Å; L360-F362 HydrophobicContact CD1-CZ 3.88Å
363	R	82.9	Confident	78.7	Confident	168 Å²	168	62.4 Å²	62.4	63%	0.634	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-69.7	138.8	173.2	170.6	179	160.7	-158.2	-14.4	109.4	E369	R363-E369 IonicContact NH2-OE1 3.31Å; R363-E369 PolarHBondContact NH2-OE1 3.16Å; R363-E369 IonicContact NH2-OE2 3.15Å; R363-E369 PolarHBondContact NH2-OE2 3.31Å; R363-E369 VanDerWaalsContact NH2-OE2 3.15Å
364	D	87.4	Confident	80.8	Confident	55 Å²	55	59.5 Å²	59.5	29%	0.294	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-72.7	134.3	167.9	-76.2	-16.9	0	0	0	110.6	L52 K54	L52-D364 HydrophobicContact CD1-CB 3.85Å; K54-D364 VanDerWaalsContact CE-OD1 3.27Å; K54-D364 WeakPolarHBondContact CE-OD1 3.4Å; K54-D364 WeakPolarHBondContact CE-OD2 3.24Å; K54-D364 IonicContact NZ-OD1 2.82Å; K54-D364 PolarHBondContact NZ-OD1 2.84Å; K54-D364 IonicContact NZ-OD2 2.63Å; K54-D364 PolarHBondContact NZ-OD2 2.93Å
365	P	88.6	Confident	82.5	Confident	23 Å²	23	58.2 Å²	58.2	15%	0.149	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-67.5	145.4	169.3	31.6	-35.9	0	0	0	110.1	P129 E369 L370	P129-P365 HydrophobicContact CB-CG 4.29Å; P365-E369 HydrophobicContact CB-CB 4.33Å; P365-L370 HydrophobicContact CB-CD1 4.35Å; P365-L370 HydrophobicContact CB-CD2 3.99Å; P365-L370 HydrophobicContact CB-CG 4Å; P365-L370 HydrophobicContact CG-CD1 3.8Å; P365-L370 HydrophobicContact CG-CD2 3.88Å; P365-L370 HydrophobicContact CG-CG 3.95Å
366	S	87	Confident	84	Confident	45 Å²	45	57.4 Å²	57.4	32%	0.315	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-69.9	160.7	168.5	64	0	0	0	0	111.1	S368 E369 L370	S366-S368 VanDerWaalsContact C-N 3.28Å; S366-S368 PolarHBondContact O-N 3.36Å; S366-S368 PolarHBondContact OG-OG 3.29Å; S366-E369 WeakPolarHBondContact CB-OE2 3.39Å; S366-E369 PolarHBondContact N-OE2 2.68Å; S366-E369 WeakPolarHBondContact O-CB 3.44Å; S366-E369 PolarHBondContact O-N 3.37Å; S366-E369 VanDerWaalsContact O-N 3.17Å; S366-E369 VanDerWaalsContact OG-CD 3.29Å; S366-E369 VanDerWaalsContact OG-CG 3.25Å; S366-E369 WeakPolarHBondContact OG-CG 3.24Å; S366-E369 PolarHBondContact OG-N 3.4Å; S366-E369 PolarHBondContact OG-OE2 2.87Å; S366-L370 PolarHBondContact O-N 3.38Å
367	V	87.3	Confident	85.8	Confident	71 Å²	71	50.1 Å²	50.1	43%	0.43	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-40.3	177.6	175.6	0	0	0	0	111.2	L131 E369 L370 E371	L131-V367 HydrophobicContact CD2-CB 4.44Å; L131-V367 HydrophobicContact CD2-CG1 4.02Å; L131-V367 HydrophobicContact CD2-CG2 4.32Å; V367-E369 VanDerWaalsContact C-N 3.29Å; V367-E369 PolarHBondContact O-N 3.13Å; V367-L370 WeakPolarHBondContact O-CA 3.43Å; V367-L370 PolarHBondContact O-N 3.19Å; V367-E371 HydrophobicContact CG1-CG 4.36Å; V367-E371 WeakPolarHBondContact CG1-OE2 3.36Å; V367-E371 PolarHBondContact O-N 3.5Å
368	S	86.2	Confident	87.4	Confident	82 Å²	82	49.4 Å²	49.4	57%	0.573	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-63.9	-31.4	177.6	50.2	0	0	0	0	113.1	S366 L370	S366-S368 VanDerWaalsContact C-N 3.28Å; S366-S368 PolarHBondContact O-N 3.36Å; S366-S368 PolarHBondContact OG-OG 3.29Å; S368-L370 PolarHBondContact O-N 2.99Å
369	E	88.1	Confident	88.6	Confident	33 Å²	33	47.8 Å²	47.8	15%	0.154	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-70.2	-17.5	173	-74.3	166.5	127.3	0	0	112.5	W336 R363 P365 S366 V367	W336-E369 WeakPolarHBondContact CH2-O 3.27Å; W336-E369 HydrophobicContact CZ2-CB 4.11Å; W336-E369 WeakPolarHBondContact CZ2-O 3.45Å; R363-E369 IonicContact NH2-OE1 3.31Å; R363-E369 PolarHBondContact NH2-OE1 3.16Å; R363-E369 IonicContact NH2-OE2 3.15Å; R363-E369 PolarHBondContact NH2-OE2 3.31Å; R363-E369 VanDerWaalsContact NH2-OE2 3.15Å; P365-E369 HydrophobicContact CB-CB 4.33Å; S366-E369 WeakPolarHBondContact CB-OE2 3.39Å; S366-E369 PolarHBondContact N-OE2 2.68Å; S366-E369 WeakPolarHBondContact O-CB 3.44Å; S366-E369 PolarHBondContact O-N 3.37Å; S366-E369 VanDerWaalsContact O-N 3.17Å; S366-E369 VanDerWaalsContact OG-CD 3.29Å; S366-E369 VanDerWaalsContact OG-CG 3.25Å; S366-E369 WeakPolarHBondContact OG-CG 3.24Å; S366-E369 PolarHBondContact OG-N 3.4Å; S366-E369 PolarHBondContact OG-OE2 2.87Å; V367-E369 VanDerWaalsContact C-N 3.29Å; V367-E369 PolarHBondContact O-N 3.13Å
370	L	93.1	Very high	89.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-104.7	-1.2	-176.3	-67.3	-173.2	0	0	0	114.1	L52 L131 C151 S152 L188 W336 P365 S366 V367 S368	L52-L370 HydrophobicContact CD2-CD1 3.51Å; L131-L370 HydrophobicContact CD1-CB 4.06Å; L131-L370 HydrophobicContact CD2-CB 3.88Å; L131-L370 HydrophobicContact CD2-CD1 3.87Å; L131-L370 HydrophobicContact CG-CB 3.74Å; L131-L370 HydrophobicContact CG-CD1 3.95Å; C151-L370 WeakPolarHBondContact CB-O 3.46Å; S152-L370 PolarHBondContact N-O 2.97Å; L188-L370 VanDerWaalsContact CD2-C 3.45Å; L188-L370 WeakPolarHBondContact CD2-O 3.37Å; W336-L370 HydrophobicContact CH2-CD2 4.14Å; P365-L370 HydrophobicContact CB-CD1 4.35Å; P365-L370 HydrophobicContact CB-CD2 3.99Å; P365-L370 HydrophobicContact CB-CG 4Å; P365-L370 HydrophobicContact CG-CD1 3.8Å; P365-L370 HydrophobicContact CG-CD2 3.88Å; P365-L370 HydrophobicContact CG-CG 3.95Å; S366-L370 PolarHBondContact O-N 3.38Å; V367-L370 WeakPolarHBondContact O-CA 3.43Å; V367-L370 PolarHBondContact O-N 3.19Å; S368-L370 PolarHBondContact O-N 2.99Å
371	E	93.1	Very high	91	Very high	55 Å²	55	39.2 Å²	39.2	26%	0.257	20%	0.201	S	C	.	.			trans	-115.8	155.8	179.2	-66.2	-167.1	113.7	0	0	111.9	L131 R133 C151 V367	L131-E371 HydrophobicContact CD1-CG 3.71Å; R133-E371 IonicContact CZ-OE1 3.36Å; R133-E371 IonicContact NH1-OE1 3.43Å; R133-E371 PolarHBondContact NH1-OE1 2.91Å; R133-E371 IonicContact NH2-OE1 3.18Å; R133-E371 PolarHBondContact NH2-OE1 2.62Å; R133-E371 IonicContact NH2-OE2 3.64Å; C151-E371 HydrophobicContact CB-CG 4.44Å; V367-E371 HydrophobicContact CG1-CG 4.36Å; V367-E371 WeakPolarHBondContact CG1-OE2 3.36Å; V367-E371 PolarHBondContact O-N 3.5Å
372	M	96	Very high	92.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	20%	0.202	C	C	.	.			trans	-154.1	134	167	-177.4	174.7	52.8	0	0	107.4	L188 T189 R285 I295 D298 L374	L188-M372 HydrophobicContact CB-CB 3.91Å; L188-M372 HydrophobicContact CB-CE 3.9Å; T189-M372 VanDerWaalsContact OG1-CE 3.24Å; T189-M372 WeakPolarHBondContact OG1-CE 3.32Å; R285-M372 HydrophobicContact CG-SD 4.2Å; R285-M372 PolarHBondContact NE-SD 3.35Å; R285-M372 VanDerWaalsContact NE-SD 3.44Å; I295-M372 HydrophobicContact CD1-SD 4.42Å; I295-M372 HydrophobicContact CG2-CG 3.88Å; D298-M372 HydrophobicContact CB-SD 4.34Å; M372-L374 HydrophobicContact CE-CB 3.99Å; M372-L374 HydrophobicContact CE-CD2 3.95Å; M372-L374 HydrophobicContact CG-CB 4.15Å; M372-L374 PolarHBondContact O-N 2.94Å; M372-L374 HydrophobicContact SD-CB 4.38Å
373	S	98	Very high	92.8	Very high	7 Å²	7	38.8 Å²	38.8	5%	0.049	21%	0.212	C	C	.	.	S	Bend	trans	-78.4	54.4	178.4	-64.6	0	0	0	0	110.5	C220 L221 D297	C220-S373 CarbonylContact C-O 3.55Å; C220-S373 WeakPolarHBondContact CA-O 3.47Å; C220-S373 WeakPolarHBondContact CB-O 3.47Å; L221-S373 PolarHBondContact N-O 3.3Å; D297-S373 WeakPolarHBondContact OD1-CB 3.5Å; D297-S373 PolarHBondContact OD1-N 2.93Å; D297-S373 PolarHBondContact OD1-OG 3.34Å; D297-S373 WeakPolarHBondContact OD2-CB 3.22Å; D297-S373 PolarHBondContact OD2-N 3.35Å; D297-S373 PolarHBondContact OD2-OG 3.3Å
374	L	98.6	Very high	93.4	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	120	168.8	177.8	63.2	0	0	0	107.2	T189 S190 Y218 C220 I284 R285 I295 M372	T189-L374 HydrophobicContact CG2-CB 4.44Å; T189-L374 HydrophobicContact CG2-CD2 4.16Å; T189-L374 HydrophobicContact CG2-CG 3.89Å; T189-L374 WeakPolarHBondContact CG2-O 3.37Å; S190-L374 PolarHBondContact N-O 3.47Å; Y218-L374 HydrophobicContact CD1-CD1 4.21Å; C220-L374 HydrophobicContact CB-CB 4.49Å; C220-L374 HydrophobicContact CB-CD1 3.84Å; I284-L374 HydrophobicContact CB-CD1 4.45Å; I284-L374 HydrophobicContact CB-CD2 4.47Å; I284-L374 HydrophobicContact CD1-CD1 4.16Å; I284-L374 HydrophobicContact CG2-CD1 3.77Å; I284-L374 HydrophobicContact CG2-CD2 4.42Å; R285-L374 HydrophobicContact CG-CD2 4.01Å; I295-L374 HydrophobicContact CD1-CB 4.04Å; I295-L374 HydrophobicContact CD1-CD1 4.41Å; I295-L374 HydrophobicContact CD1-CD2 4.12Å; I295-L374 HydrophobicContact CD1-CG 4.41Å; M372-L374 HydrophobicContact CE-CB 3.99Å; M372-L374 HydrophobicContact CE-CD2 3.95Å; M372-L374 HydrophobicContact CG-CB 4.15Å; M372-L374 PolarHBondContact O-N 2.94Å; M372-L374 HydrophobicContact SD-CB 4.38Å
375	H	98.4	Very high	93.8	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.014	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.4	-173.1	-176.3	80.6	0	0	0	110.1	D148 S190 G191 Y218 I219 L377 C388 P389 P391 W393	D148-H375 IonicContact OD1-CE1 3.01Å; S190-H375 CarbonylContact O-C 3.57Å; S190-H375 WeakPolarHBondContact O-CA 3.1Å; S190-H375 PolarHBondContact OG-ND1 2.83Å; G191-H375 WeakPolarHBondContact CA-CE1 3.25Å; Y218-H375 CarbonylContact C-O 3.57Å; Y218-H375 WeakPolarHBondContact CA-O 3.38Å; Y218-H375 WeakPolarHBondContact CB-O 3.34Å; I219-H375 PolarHBondContact N-O 3.4Å; I219-H375 PolarHBondContact O-N 2.83Å; H375-L377 PolarHBondContact O-N 3.39Å; H375-C388 WeakPolarHBondContact NE2-CB 3.47Å; H375-P389 PolarHBondContact NE2-O 2.74Å; H375-P391 HydrophobicContact CB-CG 3.88Å; H375-W393 HydrophobicContact CB-CH2 4.43Å; H375-W393 HydrophobicContact CB-CZ2 3.91Å
376	C	98.1	Very high	94.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	94.8	172.5	-177	0	0	0	0	109.3	L185 S190 G191 V192 Y218 Y379	L185-C376 HydrophobicContact CD1-CB 3.97Å; L185-C376 HydrophobicContact CD2-CB 4.1Å; S190-C376 WeakPolarHBondContact O-CB 3.45Å; S190-C376 PolarHBondContact O-N 3.16Å; G191-C376 CarbonylContact C-O 3.53Å; G191-C376 VanDerWaalsContact CA-O 3.28Å; G191-C376 WeakPolarHBondContact CA-O 3.19Å; V192-C376 PolarHBondContact N-O 2.71Å; Y218-C376 VanDerWaalsContact CD1-CA 3.48Å; Y218-C376 HydrophobicContact CD1-CB 3.78Å; Y218-C376 HydrophobicContact CE1-CB 3.45Å; Y218-C376 VanDerWaalsContact CE1-CB 3.45Å; C376-Y379 WeakPolarHBondContact SG-CD2 3.31Å; C376-Y379 WeakPolarHBondContact SG-CE2 3.39Å
377	L	97.9	Very high	94.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-50.2	-174.8	-179.6	65.9	0	0	0	111.9	V192 E217 I219 H375 E387 C388 L390 Y404	V192-L377 WeakPolarHBondContact CG2-O 3.39Å; E217-L377 PolarHBondContact O-N 2.92Å; I219-L377 HydrophobicContact CD1-CB 4.34Å; I219-L377 HydrophobicContact CD1-CD1 4.33Å; I219-L377 HydrophobicContact CD1-CD2 3.44Å; I219-L377 VanDerWaalsContact CD1-CD2 3.44Å; I219-L377 HydrophobicContact CD1-CG 4.24Å; I219-L377 HydrophobicContact CG1-CB 4.28Å; I219-L377 HydrophobicContact CG1-CD2 3.99Å; H375-L377 PolarHBondContact O-N 3.39Å; L377-E387 HydrophobicContact CD1-CG 4.31Å; L377-E387 HydrophobicContact CG-CG 4.47Å; L377-E387 CarbonylContact O-C 3.45Å; L377-E387 VanDerWaalsContact O-CA 3.31Å; L377-E387 WeakPolarHBondContact O-CA 3.29Å; L377-C388 WeakPolarHBondContact CD1-O 3.4Å; L377-C388 PolarHBondContact O-N 3.3Å; L377-L390 HydrophobicContact CD1-CD2 3.99Å; L377-Y404 HydrophobicContact CD1-CE2 4.5Å; L377-Y404 HydrophobicContact CD2-CD2 3.61Å; L377-Y404 HydrophobicContact CD2-CE2 4Å
378	R	97.8	Very high	95.1	Very high	41 Å²	41	30.2 Å²	30.2	16%	0.155	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	138.9	-170.5	-162.1	-178.1	-61.7	122.1	-1.8	112.2	E217 F386 E387	E217-R378 HydrophobicContact CB-CB 4.01Å; E217-R378 HydrophobicContact CG-CB 4.26Å; E217-R378 PolarHBondContact N-O 2.73Å; E217-R378 PolarHBondContact O-N 3.32Å; E217-R378 VanDerWaalsContact O-N 3.08Å; E217-R378 WeakPolarHBondContact OE1-CD 3.33Å; E217-R378 IonicContact OE1-CZ 2.86Å; E217-R378 IonicContact OE1-NH1 3.79Å; E217-R378 PolarHBondContact OE1-NH1 3.38Å; E217-R378 IonicContact OE2-NH1 3.93Å; E217-R378 PolarHBondContact OE2-NH1 2.65Å; R378-F386 VanDerWaalsContact CA-O 3.3Å; R378-F386 WeakPolarHBondContact CA-O 3.18Å; R378-F386 VanDerWaalsContact CG-O 3.24Å; R378-F386 WeakPolarHBondContact CG-O 2.94Å; R378-E387 HydrophobicContact CG-CB 4.16Å; R378-E387 IonicContact CZ-OE2 2.92Å; R378-E387 IonicContact NE-OE2 2.63Å; R378-E387 PolarHBondContact NE-OE2 3.38Å; R378-E387 VanDerWaalsContact NH2-CD 3.29Å; R378-E387 IonicContact NH2-OE1 3.06Å; R378-E387 PolarHBondContact NH2-OE1 3.47Å; R378-E387 IonicContact NH2-OE2 2.83Å; R378-E387 PolarHBondContact NH2-OE2 3.15Å
379	Y	96.1	Very high	95.5	Very high	11 Å²	11	30.4 Å²	30.4	4%	0.043	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.1	164.3	-96.1	-124.5	0	0	0	108.4	Y183 I214 K215 K216 Y218 C376 W384 F386	Y183-Y379 HydrophobicContact CD1-CD1 4.41Å; Y183-Y379 AromaticContact CD1-CE1 3.84Å; Y183-Y379 HydrophobicContact CD1-CE1 3.84Å; Y183-Y379 AromaticContact CD2-CE1 3.92Å; Y183-Y379 HydrophobicContact CD2-CE1 3.92Å; Y183-Y379 AromaticContact CD2-CZ 4Å; Y183-Y379 AromaticContact CE1-CD1 3.72Å; Y183-Y379 HydrophobicContact CE1-CD1 3.72Å; Y183-Y379 AromaticContact CE1-CE1 3.55Å; Y183-Y379 HydrophobicContact CE1-CE1 3.55Å; Y183-Y379 HydrophobicContact CE2-CD1 4.21Å; Y183-Y379 AromaticContact CE2-CE1 3.62Å; Y183-Y379 HydrophobicContact CE2-CE1 3.62Å; Y183-Y379 HydrophobicContact CE2-CE2 4.42Å; Y183-Y379 AromaticContact CE2-CZ 3.74Å; Y183-Y379 HydrophobicContact CG-CE1 4.01Å; Y183-Y379 AromaticContact CZ-CD1 3.59Å; Y183-Y379 AromaticContact CZ-CE1 3.41Å; Y183-Y379 VanDerWaalsContact CZ-CE1 3.41Å; Y183-Y379 AromaticContact CZ-CZ 3.99Å; I214-Y379 HydrophobicContact CG2-CD1 3.76Å; I214-Y379 HydrophobicContact CG2-CE1 4.09Å; K215-Y379 WeakPolarHBondContact O-CA 3.32Å; K216-Y379 HydrophobicContact CB-CD2 4.37Å; K216-Y379 HydrophobicContact CB-CE2 3.83Å; K216-Y379 HydrophobicContact CD-CE1 4.29Å; K216-Y379 HydrophobicContact CG-CD1 4.36Å; K216-Y379 HydrophobicContact CG-CD2 4.48Å; K216-Y379 HydrophobicContact CG-CE1 3.81Å; K216-Y379 HydrophobicContact CG-CE2 3.9Å; Y218-Y379 HydrophobicContact CE2-CE2 4.23Å; Y218-Y379 PolarHBondContact OH-OH 3.04Å; C376-Y379 WeakPolarHBondContact SG-CD2 3.31Å; C376-Y379 WeakPolarHBondContact SG-CE2 3.39Å; Y379-W384 WeakPolarHBondContact O-CZ3 3.37Å; Y379-F386 PolarHBondContact N-O 3.21Å; Y379-F386 PolarHBondContact O-N 3.47Å
380	S	96.2	Very high	95.9	Very high	15 Å²	15	30.5 Å²	30.5	11%	0.105	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	144.5	176.7	54	0	0	0	0	112.1	I214 K215 W384	I214-S380 CarbonylContact C-O 3.57Å; I214-S380 WeakPolarHBondContact CA-O 3.44Å; K215-S380 WeakPolarHBondContact CB-OG 3.45Å; K215-S380 PolarHBondContact N-O 3.02Å; K215-S380 PolarHBondContact O-N 3.36Å; S380-W384 CarbonylContact C-O 3.59Å; S380-W384 WeakPolarHBondContact CA-O 3.48Å
381	G	94.1	Very high	96	Very high	17 Å²	17	31.3 Å²	31.3	18%	0.175	18%	0.178	C	C	.	.			trans	-114.6	-166.5	171.4	0	0	0	0	0	111.4	D383 W384	G381-D383 VanDerWaalsContact C-N 3.27Å; G381-D383 PolarHBondContact O-N 3.44Å; G381-W384 PolarHBondContact N-O 3.22Å
382	P	92.8	Very high	96.1	Very high	81 Å²	81	33.8 Å²	33.8	53%	0.526	20%	0.201	S	C	.	.	S	Bend	trans	-59.9	-34.6	179.3	-26.4	36.4	0	0	0	114.3	N213	N213-P382 HydrophobicContact CB-CG 3.95Å
383	D	91.9	Very high	96.1	Very high	101 Å²	101	36.7 Å²	36.7	54%	0.54	21%	0.212	S	C	.	.	S	Bend	trans	-139.2	18.4	-169	57.7	-10.4	0	0	0	113.2	R204 H208 G381	R204-D383 IonicContact CZ-OD1 3.47Å; R204-D383 IonicContact CZ-OD2 2.74Å; R204-D383 IonicContact NE-OD2 2.86Å; R204-D383 IonicContact NH2-OD1 2.67Å; R204-D383 PolarHBondContact NH2-OD1 2.87Å; R204-D383 IonicContact NH2-OD2 3.78Å; R204-D383 PolarHBondContact NH2-OD2 3.24Å; H208-D383 IonicContact NE2-OD1 3.22Å; G381-D383 VanDerWaalsContact C-N 3.27Å; G381-D383 PolarHBondContact O-N 3.44Å
384	W	94.5	Very high	96	Very high	28 Å²	28	36.3 Å²	36.3	11%	0.106	21%	0.209	C	C	.	.			trans	-150.6	152.2	175.4	56.4	-93.2	0	0	0	110.6	F205 H208 I214 Y379 S380 G381 F386	F205-W384 HydrophobicContact CD1-CH2 4.39Å; F205-W384 AromaticContact CD1-CZ2 3.86Å; F205-W384 HydrophobicContact CD1-CZ2 3.86Å; F205-W384 HydrophobicContact CE1-CD2 4.17Å; F205-W384 AromaticContact CE1-CE2 3.58Å; F205-W384 HydrophobicContact CE1-CE3 4.45Å; F205-W384 AromaticContact CE1-CH2 3.71Å; F205-W384 HydrophobicContact CE1-CH2 3.71Å; F205-W384 AromaticContact CE1-CZ2 3.35Å; F205-W384 HydrophobicContact CE1-CZ2 3.35Å; F205-W384 HydrophobicContact CE1-CZ3 4.24Å; F205-W384 AromaticContact CE2-NE1 3.98Å; F205-W384 AromaticContact CZ-CD2 3.88Å; F205-W384 HydrophobicContact CZ-CD2 3.88Å; F205-W384 AromaticContact CZ-CE2 3.54Å; F205-W384 HydrophobicContact CZ-CE3 4.43Å; F205-W384 HydrophobicContact CZ-CG 4.25Å; F205-W384 HydrophobicContact CZ-CH2 4.4Å; F205-W384 AromaticContact CZ-CZ2 3.84Å; F205-W384 HydrophobicContact CZ-CZ2 3.84Å; F205-W384 AromaticContact CZ-NE1 3.71Å; H208-W384 AromaticContact CD2-NE1 3.58Å; H208-W384 AromaticContact NE2-NE1 3.93Å; I214-W384 HydrophobicContact CD1-CZ2 4.48Å; I214-W384 HydrophobicContact CG1-CZ2 4.23Å; I214-W384 HydrophobicContact CG2-CH2 4.21Å; Y379-W384 WeakPolarHBondContact O-CZ3 3.37Å; S380-W384 CarbonylContact C-O 3.59Å; S380-W384 WeakPolarHBondContact CA-O 3.48Å; G381-W384 PolarHBondContact N-O 3.22Å; W384-F386 HydrophobicContact CB-CE2 4.38Å; W384-F386 HydrophobicContact CB-CZ 4.26Å; W384-F386 HydrophobicContact CD2-CD2 4.49Å; W384-F386 AromaticContact CD2-CE2 3.98Å; W384-F386 HydrophobicContact CD2-CE2 3.98Å; W384-F386 AromaticContact CE3-CD2 3.46Å; W384-F386 HydrophobicContact CE3-CD2 3.46Å; W384-F386 VanDerWaalsContact CE3-CD2 3.46Å; W384-F386 AromaticContact CE3-CE2 3.36Å; W384-F386 HydrophobicContact CE3-CE2 3.36Å; W384-F386 HydrophobicContact CE3-CG 4.48Å; W384-F386 HydrophobicContact CE3-CZ 4.31Å; W384-F386 HydrophobicContact CG-CE2 4.42Å; W384-F386 AromaticContact CZ3-CD2 3.74Å; W384-F386 HydrophobicContact CZ3-CD2 3.74Å; W384-F386 AromaticContact CZ3-CE2 3.95Å; W384-F386 HydrophobicContact CZ3-CE2 3.95Å
385	S	97	Very high	95.9	Very high	67 Å²	67	38.9 Å²	38.9	47%	0.469	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	130.8	175.6	-178.5	0	0	0	0	109.4
386	F	97.5	Very high	95.8	Very high	12 Å²	12	40.4 Å²	40.4	5%	0.053	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.7	178.3	-53	-61.9	0	0	0	110.2	E139 L144 V146 V192 V194 F205 R378 Y379 W384	E139-F386 WeakPolarHBondContact OE2-CE1 3.42Å; L144-F386 HydrophobicContact CD1-CE1 4.49Å; L144-F386 HydrophobicContact CD1-CZ 4.13Å; L144-F386 HydrophobicContact CD2-CE2 4.19Å; L144-F386 HydrophobicContact CD2-CZ 3.69Å; V146-F386 HydrophobicContact CG1-CB 3.89Å; V146-F386 HydrophobicContact CG1-CG 4.09Å; V146-F386 HydrophobicContact CG2-CB 4.49Å; V146-F386 HydrophobicContact CG2-CD1 3.75Å; V146-F386 HydrophobicContact CG2-CD2 3.93Å; V146-F386 HydrophobicContact CG2-CE1 3.86Å; V146-F386 HydrophobicContact CG2-CE2 4.03Å; V146-F386 HydrophobicContact CG2-CG 3.79Å; V146-F386 HydrophobicContact CG2-CZ 4Å; V192-F386 HydrophobicContact CG1-CB 4.1Å; V194-F386 HydrophobicContact CG1-CE2 4.31Å; V194-F386 HydrophobicContact CG2-CD2 3.56Å; V194-F386 HydrophobicContact CG2-CE2 4.02Å; V194-F386 HydrophobicContact CG2-CG 4.45Å; F205-F386 HydrophobicContact CZ-CE2 4.42Å; R378-F386 VanDerWaalsContact CA-O 3.3Å; R378-F386 WeakPolarHBondContact CA-O 3.18Å; R378-F386 VanDerWaalsContact CG-O 3.24Å; R378-F386 WeakPolarHBondContact CG-O 2.94Å; Y379-F386 PolarHBondContact N-O 3.21Å; Y379-F386 PolarHBondContact O-N 3.47Å; W384-F386 HydrophobicContact CB-CE2 4.38Å; W384-F386 HydrophobicContact CB-CZ 4.26Å; W384-F386 HydrophobicContact CD2-CD2 4.49Å; W384-F386 AromaticContact CD2-CE2 3.98Å; W384-F386 HydrophobicContact CD2-CE2 3.98Å; W384-F386 AromaticContact CE3-CD2 3.46Å; W384-F386 HydrophobicContact CE3-CD2 3.46Å; W384-F386 VanDerWaalsContact CE3-CD2 3.46Å; W384-F386 AromaticContact CE3-CE2 3.36Å; W384-F386 HydrophobicContact CE3-CE2 3.36Å; W384-F386 HydrophobicContact CE3-CG 4.48Å; W384-F386 HydrophobicContact CE3-CZ 4.31Å; W384-F386 HydrophobicContact CG-CE2 4.42Å; W384-F386 AromaticContact CZ3-CD2 3.74Å; W384-F386 HydrophobicContact CZ3-CD2 3.74Å; W384-F386 AromaticContact CZ3-CE2 3.95Å; W384-F386 HydrophobicContact CZ3-CE2 3.95Å
387	E	97	Very high	95.6	Very high	73 Å²	73	40.4 Å²	40.4	34%	0.341	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.1	-173.8	-179.1	169.4	160.9	0	0	111.1	L377 R378	L377-E387 HydrophobicContact CD1-CG 4.31Å; L377-E387 HydrophobicContact CG-CG 4.47Å; L377-E387 CarbonylContact O-C 3.45Å; L377-E387 VanDerWaalsContact O-CA 3.31Å; L377-E387 WeakPolarHBondContact O-CA 3.29Å; R378-E387 HydrophobicContact CG-CB 4.16Å; R378-E387 IonicContact CZ-OE2 2.92Å; R378-E387 IonicContact NE-OE2 2.63Å; R378-E387 PolarHBondContact NE-OE2 3.38Å; R378-E387 VanDerWaalsContact NH2-CD 3.29Å; R378-E387 IonicContact NH2-OE1 3.06Å; R378-E387 PolarHBondContact NH2-OE1 3.47Å; R378-E387 IonicContact NH2-OE2 2.83Å; R378-E387 PolarHBondContact NH2-OE2 3.15Å
388	C	95.3	Very high	95.4	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.014	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-88.7	153.4	169.2	-85.5	0	0	0	0	111.1	I138 D148 V192 H375 L377	I138-C388 HydrophobicContact CD1-CB 4.5Å; I138-C388 WeakPolarHBondContact CD1-SG 3.39Å; D148-C388 VanDerWaalsContact CB-SG 3.54Å; D148-C388 PolarHBondContact OD1-SG 3.49Å; V192-C388 VanDerWaalsContact CA-SG 3.58Å; V192-C388 HydrophobicContact CG2-CB 3.77Å; V192-C388 VanDerWaalsContact CG2-N 3.3Å; V192-C388 WeakPolarHBondContact CG2-SG 3.46Å; V192-C388 PolarHBondContact N-SG 2.99Å; H375-C388 WeakPolarHBondContact NE2-CB 3.47Å; L377-C388 WeakPolarHBondContact CD1-O 3.4Å; L377-C388 PolarHBondContact O-N 3.3Å
389	P	95.2	Very high	95.2	Very high	85 Å²	85	51 Å²	51	55%	0.552	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-56.5	149.2	164	-20.7	33	0	0	0	111.7	H375	H375-P389 PolarHBondContact NE2-O 2.74Å
390	L	96.2	Very high	95	Very high	35 Å²	35	55.1 Å²	55.1	18%	0.183	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-59.5	139.5	173	-75.8	172.8	0	0	0	111.1	I219 L377 A394 L397 K398 Y404	I219-L390 HydrophobicContact CD1-CD2 3.47Å; I219-L390 VanDerWaalsContact CD1-CD2 3.47Å; L377-L390 HydrophobicContact CD1-CD2 3.99Å; L390-A394 HydrophobicContact CB-CB 4.49Å; L390-A394 HydrophobicContact CD2-CB 4.18Å; L390-L397 HydrophobicContact CD1-CB 4.16Å; L390-L397 HydrophobicContact CD2-CD1 4.29Å; L390-K398 HydrophobicContact CD1-CB 4.23Å; L390-Y404 HydrophobicContact CD1-CD1 4.16Å; L390-Y404 HydrophobicContact CD1-CE1 3.63Å; L390-Y404 HydrophobicContact CD1-CE2 4.37Å; L390-Y404 HydrophobicContact CD2-CD2 4.34Å; L390-Y404 HydrophobicContact CD2-CE2 4.21Å; L390-Y404 HydrophobicContact CG-CE1 4.4Å; L390-Y404 HydrophobicContact CG-CE2 4.28Å
391	P	95.4	Very high	94.8	Very high	18 Å²	18	65.5 Å²	65.5	12%	0.117	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-66	155.5	171	29.6	-34.4	0	0	0	110.4	H375 W393 A394	H375-P391 HydrophobicContact CB-CG 3.88Å; P391-W393 VanDerWaalsContact C-N 3.28Å; P391-W393 HydrophobicContact CB-CD2 4.23Å; P391-W393 HydrophobicContact CB-CG 4.4Å; P391-W393 HydrophobicContact CB-CZ2 4.05Å; P391-W393 HydrophobicContact CG-CD2 3.87Å; P391-W393 HydrophobicContact CG-CE3 4.31Å; P391-W393 HydrophobicContact CG-CH2 3.76Å; P391-W393 HydrophobicContact CG-CZ2 3.29Å; P391-W393 HydrophobicContact CG-CZ3 4.27Å; P391-W393 PolarHBondContact O-N 3.44Å; P391-A394 HydrophobicContact CG-CB 3.92Å; P391-A394 WeakPolarHBondContact O-CA 3.41Å; P391-A394 WeakPolarHBondContact O-CB 3.38Å; P391-A394 PolarHBondContact O-N 3.26Å
392	S	94.5	Very high	94.5	Very high	106 Å²	106	66.8 Å²	66.8	74%	0.741	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-56.3	-39.3	-175.4	52.8	0	0	0	0	113.5	A394 S395	S392-A394 PolarHBondContact O-N 3.41Å; S392-A394 VanDerWaalsContact O-N 3.15Å; S392-S395 WeakPolarHBondContact O-CB 3.32Å; S392-S395 PolarHBondContact O-N 3.12Å; S392-S395 VanDerWaalsContact O-N 3.14Å
393	W	95.7	Very high	94.4	Very high	63 Å²	63	69 Å²	69	24%	0.239	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-66.3	-11.8	177.1	56.2	-107.1	0	0	0	113.7	I219 L221 I271 H375 P391	I219-W393 HydrophobicContact CB-CH2 4.18Å; I219-W393 HydrophobicContact CG2-CH2 3.63Å; I219-W393 HydrophobicContact CG2-CZ3 3.69Å; L221-W393 HydrophobicContact CB-CD2 4.48Å; L221-W393 HydrophobicContact CB-CE3 3.92Å; L221-W393 HydrophobicContact CB-CZ3 4.09Å; I271-W393 HydrophobicContact CG2-CZ3 4.32Å; H375-W393 HydrophobicContact CB-CH2 4.43Å; H375-W393 HydrophobicContact CB-CZ2 3.91Å; P391-W393 VanDerWaalsContact C-N 3.28Å; P391-W393 HydrophobicContact CB-CD2 4.23Å; P391-W393 HydrophobicContact CB-CG 4.4Å; P391-W393 HydrophobicContact CB-CZ2 4.05Å; P391-W393 HydrophobicContact CG-CD2 3.87Å; P391-W393 HydrophobicContact CG-CE3 4.31Å; P391-W393 HydrophobicContact CG-CH2 3.76Å; P391-W393 HydrophobicContact CG-CZ2 3.29Å; P391-W393 HydrophobicContact CG-CZ3 4.27Å; P391-W393 PolarHBondContact O-N 3.44Å
394	A	96.8	Very high	94.2	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-105.4	9.6	175.9	0	0	0	0	0	113.7	I271 L390 P391 S392 V396 L397	I271-A394 HydrophobicContact CD1-CB 4.46Å; L390-A394 HydrophobicContact CB-CB 4.49Å; L390-A394 HydrophobicContact CD2-CB 4.18Å; P391-A394 HydrophobicContact CG-CB 3.92Å; P391-A394 WeakPolarHBondContact O-CA 3.41Å; P391-A394 WeakPolarHBondContact O-CB 3.38Å; P391-A394 PolarHBondContact O-N 3.26Å; S392-A394 PolarHBondContact O-N 3.41Å; S392-A394 VanDerWaalsContact O-N 3.15Å; A394-V396 PolarHBondContact O-N 2.65Å; A394-V396 VanDerWaalsContact O-N 3.15Å; A394-L397 HydrophobicContact CB-CD1 4.33Å; A394-L397 WeakPolarHBondContact O-CB 3.18Å; A394-L397 WeakPolarHBondContact O-CG 3.48Å; A394-L397 PolarHBondContact O-N 3.19Å; A394-L397 VanDerWaalsContact O-N 3.09Å
395	S	95.1	Very high	94.2	Very high	58 Å²	58	69 Å²	69	41%	0.406	36%	0.356	S	S	.	.	H	α-helix	trans	-57.6	-33.2	-175.3	74.6	0	0	0	0	113.1	S392 L397 K398 D399	S392-S395 WeakPolarHBondContact O-CB 3.32Å; S392-S395 PolarHBondContact O-N 3.12Å; S392-S395 VanDerWaalsContact O-N 3.14Å; S395-L397 PolarHBondContact O-N 3.38Å; S395-K398 WeakPolarHBondContact O-CA 3.39Å; S395-K398 WeakPolarHBondContact O-CB 3.45Å; S395-K398 PolarHBondContact O-N 3.22Å; S395-D399 VanDerWaalsContact O-CG 3.32Å; S395-D399 PolarHBondContact O-N 2.65Å; S395-D399 PolarHBondContact OG-OD2 2.98Å
396	V	95.9	Very high	94	Very high	36 Å²	36	69.1 Å²	69.1	22%	0.218	35%	0.35	C	S	.	.	H	α-helix	trans	-53.2	-28.3	177.8	68.5	0	0	0	0	113.4	I271 A394 N400	I271-V396 HydrophobicContact CD1-CG1 3.41Å; I271-V396 VanDerWaalsContact CD1-CG1 3.41Å; A394-V396 PolarHBondContact O-N 2.65Å; A394-V396 VanDerWaalsContact O-N 3.15Å; V396-N400 WeakPolarHBondContact CG2-ND2 3.27Å; V396-N400 VanDerWaalsContact O-CB 3.31Å; V396-N400 WeakPolarHBondContact O-CB 3.12Å; V396-N400 PolarHBondContact O-N 2.97Å; V396-N400 PolarHBondContact O-ND2 3.09Å
397	L	95.7	Very high	93.8	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-64.9	-44.1	175	-60.3	-176.6	0	0	0	111.3	I219 L263 H264 I271 L390 A394 S395 R401 I402 Y404	I219-L397 HydrophobicContact CD1-CD1 4.12Å; L263-L397 HydrophobicContact CB-CD1 4.43Å; L263-L397 HydrophobicContact CB-CD2 3.74Å; L263-L397 HydrophobicContact CD1-CD1 3.75Å; H264-L397 HydrophobicContact CB-CD2 3.71Å; I271-L397 HydrophobicContact CD1-CD2 4.2Å; I271-L397 HydrophobicContact CD1-CG 4.19Å; I271-L397 HydrophobicContact CG2-CD1 3.93Å; I271-L397 HydrophobicContact CG2-CD2 4.31Å; I271-L397 HydrophobicContact CG2-CG 4.38Å; L390-L397 HydrophobicContact CD1-CB 4.16Å; L390-L397 HydrophobicContact CD2-CD1 4.29Å; A394-L397 HydrophobicContact CB-CD1 4.33Å; A394-L397 WeakPolarHBondContact O-CB 3.18Å; A394-L397 WeakPolarHBondContact O-CG 3.48Å; A394-L397 PolarHBondContact O-N 3.19Å; A394-L397 VanDerWaalsContact O-N 3.09Å; S395-L397 PolarHBondContact O-N 3.38Å; L397-R401 PolarHBondContact O-N 3.15Å; L397-I402 HydrophobicContact CB-CB 4.49Å; L397-I402 HydrophobicContact CD2-CB 4.22Å; L397-I402 HydrophobicContact CD2-CD1 4.02Å; L397-I402 HydrophobicContact CD2-CG2 4.11Å; L397-I402 PolarHBondContact O-N 3.09Å; L397-Y404 HydrophobicContact CB-CD1 4.09Å; L397-Y404 HydrophobicContact CD1-CD1 4.43Å; L397-Y404 HydrophobicContact CD1-CG 4.41Å
398	K	92.9	Very high	93.6	Very high	151 Å²	151	72.2 Å²	72.2	66%	0.657	37%	0.368	S	S	*	.	H	α-helix	trans	-71.5	-44.1	177.8	-172.3	179	-179.7	-179.9	0	111.1	L390 S395 N400 R401	L390-K398 HydrophobicContact CD1-CB 4.23Å; S395-K398 WeakPolarHBondContact O-CA 3.39Å; S395-K398 WeakPolarHBondContact O-CB 3.45Å; S395-K398 PolarHBondContact O-N 3.22Å; K398-N400 VanDerWaalsContact C-N 3.26Å; K398-N400 PolarHBondContact O-N 2.92Å; K398-R401 PolarHBondContact O-N 3.11Å; K398-R401 VanDerWaalsContact O-N 3.08Å
399	D	92.8	Very high	93.5	Very high	112 Å²	112	76.6 Å²	76.6	60%	0.599	39%	0.39	S	S	*	.	H	α-helix	trans	-61	-38	-177.7	-59.7	-28.8	0	0	0	111.4	S395	S395-D399 VanDerWaalsContact O-CG 3.32Å; S395-D399 PolarHBondContact O-N 2.65Å; S395-D399 PolarHBondContact OG-OD2 2.98Å
400	N	93	Very high	93.4	Very high	97 Å²	97	76 Å²	76	52%	0.519	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	6.6	178	-65.6	-32.2	0	0	0	114.2	V396 K398 I402	V396-N400 WeakPolarHBondContact CG2-ND2 3.27Å; V396-N400 VanDerWaalsContact O-CB 3.31Å; V396-N400 WeakPolarHBondContact O-CB 3.12Å; V396-N400 PolarHBondContact O-N 2.97Å; V396-N400 PolarHBondContact O-ND2 3.09Å; K398-N400 VanDerWaalsContact C-N 3.26Å; K398-N400 PolarHBondContact O-N 2.92Å; N400-I402 HydrophobicContact CB-CD1 4Å; N400-I402 HydrophobicContact CB-CG1 3.91Å; N400-I402 PolarHBondContact O-N 3.43Å
401	R	90.8	Very high	93.2	Very high	234 Å²	234	78.9 Å²	78.9	88%	0.883	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	38.6	-178.2	-54.1	180	-178.6	177.9	-0.1	113.4	L397 K398	L397-R401 PolarHBondContact O-N 3.15Å; K398-R401 PolarHBondContact O-N 3.11Å; K398-R401 VanDerWaalsContact O-N 3.08Å
402	I	89.3	Confident	93.1	Very high	43 Å²	43	83.6 Å²	83.6	22%	0.221	42%	0.415	C	S	.	.			trans	-75.4	129.2	175.9	-62.3	174	0	0	0	108	H264 L397 N400 Y404	H264-I402 HydrophobicContact CB-CD1 4.03Å; L397-I402 HydrophobicContact CB-CB 4.49Å; L397-I402 HydrophobicContact CD2-CB 4.22Å; L397-I402 HydrophobicContact CD2-CD1 4.02Å; L397-I402 HydrophobicContact CD2-CG2 4.11Å; L397-I402 PolarHBondContact O-N 3.09Å; N400-I402 HydrophobicContact CB-CD1 4Å; N400-I402 HydrophobicContact CB-CG1 3.91Å; N400-I402 PolarHBondContact O-N 3.43Å; I402-Y404 VanDerWaalsContact O-CD1 3.25Å; I402-Y404 WeakPolarHBondContact O-CD1 3.15Å
403	D	89.1	Confident	92.9	Very high	127 Å²	127	81.8 Å²	81.8	68%	0.679	39%	0.388	S	S	*	.			trans	-71.3	126.2	173.9	-178.8	49.5	0	0	0	110.9	R261	R261-D403 PolarHBondContact NH2-O 3.19Å; R261-D403 VanDerWaalsContact NH2-O 3.1Å
404	Y	88.3	Confident	92.7	Very high	60 Å²	60	83.5 Å²	83.5	24%	0.235	40%	0.401	C	S	.	.			trans	-128.8	0	-168.6	59.6	-106.2	0	0	0	116	I219 K273 L377 L390 L397 I402	I219-Y404 HydrophobicContact CD1-CD2 4.46Å; K273-Y404 WeakPolarHBondContact CD-OXT 3.43Å; K273-Y404 WeakPolarHBondContact CE-OXT 3.47Å; K273-Y404 PolarHBondContact NZ-O 3.29Å; K273-Y404 PolarHBondContact NZ-OXT 3.33Å; L377-Y404 HydrophobicContact CD1-CE2 4.5Å; L377-Y404 HydrophobicContact CD2-CD2 3.61Å; L377-Y404 HydrophobicContact CD2-CE2 4Å; L390-Y404 HydrophobicContact CD1-CD1 4.16Å; L390-Y404 HydrophobicContact CD1-CE1 3.63Å; L390-Y404 HydrophobicContact CD1-CE2 4.37Å; L390-Y404 HydrophobicContact CD2-CD2 4.34Å; L390-Y404 HydrophobicContact CD2-CE2 4.21Å; L390-Y404 HydrophobicContact CG-CE1 4.4Å; L390-Y404 HydrophobicContact CG-CE2 4.28Å; L397-Y404 HydrophobicContact CB-CD1 4.09Å; L397-Y404 HydrophobicContact CD1-CD1 4.43Å; L397-Y404 HydrophobicContact CD1-CG 4.41Å; I402-Y404 VanDerWaalsContact O-CD1 3.25Å; I402-Y404 WeakPolarHBondContact O-CD1 3.15Å

Retrieved 404 of 404 residues in 1040.5 ms (Link to these results)

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