A0A077YY48_TRITR Loading...

SH2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YY48, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 627 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	40.4	Very low	39.9	Very low	216 Å²	216	114.6 Å²	114.6	100%	1.064	58%	0.581	S	S	*	*				0	127.4	0	-71.9	175.4	-170.7	0	0	107.9
2	S	37.5	Very low	40.1	Very low	66 Å²	66	116.3 Å²	116.3	46%	0.462	59%	0.592	S	S	.	*			trans	-73.8	152.5	177.5	66.9	0	0	0	0	110.3	Q4 N5	S2-Q4 PolarHBondContact O-N 2.85Å; S2-N5 PolarHBondContact O-N 3.04Å
3	A	39.5	Very low	40.4	Very low	79 Å²	79	119.9 Å²	119.9	65%	0.653	60%	0.596	S	S	*	*	H	α-helix	trans	-53.4	-22.6	-179.9	0	0	0	0	0	114	W6 L7	A3-W6 PolarHBondContact O-N 3.47Å; A3-L7 PolarHBondContact O-N 2.94Å; A3-L7 VanDerWaalsContact O-N 3.16Å
4	Q	38.1	Very low	40.2	Very low	152 Å²	152	113.9 Å²	113.9	71%	0.71	58%	0.58	S	S	*	*	H	α-helix	trans	-68.2	-34.4	175	-76.2	178.6	-26.1	0	0	113.6	S2 W6 L7 R8	S2-Q4 PolarHBondContact O-N 2.85Å; Q4-W6 VanDerWaalsContact C-N 3.32Å; Q4-L7 PolarHBondContact O-N 2.96Å; Q4-R8 PolarHBondContact O-N 2.85Å
5	N	40	Very low	40	Very low	87 Å²	87	113.5 Å²	113.5	47%	0.465	59%	0.587	S	S	.	*	H	α-helix	trans	-69.2	-35.5	175.7	-72	-3.5	0	0	0	110.9	S2 R8 D9	S2-N5 PolarHBondContact O-N 3.04Å; N5-R8 PolarHBondContact O-N 3.27Å; N5-D9 PolarHBondContact O-N 3.23Å
6	W	38.9	Very low	40.1	Very low	169 Å²	169	110.7 Å²	110.7	64%	0.64	59%	0.586	S	S	*	*	H	α-helix	trans	-68.7	-36.4	178.1	-139.5	74.1	0	0	0	112.5	A3 Q4 D9 I10	A3-W6 PolarHBondContact O-N 3.47Å; Q4-W6 VanDerWaalsContact C-N 3.32Å; W6-D9 PolarHBondContact O-N 3.32Å; W6-I10 HydrophobicContact CE3-CD1 3.54Å; W6-I10 HydrophobicContact CE3-CG1 4.42Å; W6-I10 HydrophobicContact CZ3-CD1 3.59Å; W6-I10 HydrophobicContact CZ3-CG1 4.49Å; W6-I10 WeakPolarHBondContact O-CG1 3.37Å; W6-I10 PolarHBondContact O-N 3.08Å
7	L	38.1	Very low	40	Very low	101 Å²	101	106.6 Å²	106.6	53%	0.529	57%	0.569	S	S	.	*	H	α-helix	trans	-68.9	-32.9	174.4	-81.3	163.9	0	0	0	112.9	A3 Q4 I10 S11	A3-L7 PolarHBondContact O-N 2.94Å; A3-L7 VanDerWaalsContact O-N 3.16Å; Q4-L7 PolarHBondContact O-N 2.96Å; L7-I10 PolarHBondContact O-N 3.15Å; L7-S11 PolarHBondContact O-N 3.29Å
8	R	38.6	Very low	39.8	Very low	191 Å²	191	108.3 Å²	108.3	72%	0.721	57%	0.57	S	S	*	*	H	α-helix	trans	-65.2	-45.5	174.6	-120.4	-177.3	-169	-178	3.2	111.3	Q4 N5 I10 S11	Q4-R8 PolarHBondContact O-N 2.85Å; N5-R8 PolarHBondContact O-N 3.27Å; R8-I10 VanDerWaalsContact C-N 3.25Å; R8-I10 PolarHBondContact O-N 3.09Å; R8-S11 PolarHBondContact O-N 3.28Å; R8-S11 VanDerWaalsContact O-N 3.09Å; R8-S11 PolarHBondContact O-OG 2.93Å
9	D	43.3	Very low	39.6	Very low	91 Å²	91	108.5 Å²	108.5	49%	0.487	57%	0.571	S	S	.	*	H	α-helix	trans	-62.3	-32.5	179.4	-71.5	-12.1	0	0	0	112.1	N5 W6 Y13	N5-D9 PolarHBondContact O-N 3.23Å; W6-D9 PolarHBondContact O-N 3.32Å; D9-Y13 WeakPolarHBondContact O-CD2 3.26Å; D9-Y13 WeakPolarHBondContact O-CE2 3.38Å
10	I	44	Very low	39.5	Very low	57 Å²	57	112.1 Å²	112.1	29%	0.292	58%	0.582	S	S	.	*	H	α-helix	trans	-69.6	-32.6	176.5	-67.8	165.4	0	0	0	112.2	W6 L7 R8 D12 Y13 C17	W6-I10 HydrophobicContact CE3-CD1 3.54Å; W6-I10 HydrophobicContact CE3-CG1 4.42Å; W6-I10 HydrophobicContact CZ3-CD1 3.59Å; W6-I10 HydrophobicContact CZ3-CG1 4.49Å; W6-I10 WeakPolarHBondContact O-CG1 3.37Å; W6-I10 PolarHBondContact O-N 3.08Å; L7-I10 PolarHBondContact O-N 3.15Å; R8-I10 VanDerWaalsContact C-N 3.25Å; R8-I10 PolarHBondContact O-N 3.09Å; I10-D12 PolarHBondContact O-N 2.98Å; I10-Y13 PolarHBondContact O-N 3.1Å; I10-C17 HydrophobicContact CG2-CB 4.49Å
11	S	40.6	Very low	39.5	Very low	52 Å²	52	112 Å²	112	36%	0.364	58%	0.582	S	S	.	*	H	α-helix	trans	-67.5	-20	-176.8	73.1	0	0	0	0	113.9	L7 R8 Y13	L7-S11 PolarHBondContact O-N 3.29Å; R8-S11 PolarHBondContact O-N 3.28Å; R8-S11 VanDerWaalsContact O-N 3.09Å; R8-S11 PolarHBondContact O-OG 2.93Å; S11-Y13 VanDerWaalsContact C-N 3.33Å
12	D	42.3	Very low	39.2	Very low	134 Å²	134	109.2 Å²	109.2	72%	0.717	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-14.9	174.8	-72.1	-22.9	0	0	0	112.7	I10 G14	I10-D12 PolarHBondContact O-N 2.98Å; D12-G14 VanDerWaalsContact C-N 3.34Å; D12-G14 PolarHBondContact O-N 3.21Å; D12-G14 VanDerWaalsContact O-N 3.12Å
13	Y	43.9	Very low	39	Very low	164 Å²	164	109.6 Å²	109.6	64%	0.643	57%	0.573	S	S	*	*	S	Bend	trans	-91.3	67.1	179.7	-67.3	-82	0	0	0	112	D9 I10 S11 C17	D9-Y13 WeakPolarHBondContact O-CD2 3.26Å; D9-Y13 WeakPolarHBondContact O-CE2 3.38Å; I10-Y13 PolarHBondContact O-N 3.1Å; S11-Y13 VanDerWaalsContact C-N 3.33Å; Y13-C17 PolarHBondContact O-SG 2.98Å
14	G	38.2	Very low	38.5	Very low	36 Å²	36	113.2 Å²	113.2	37%	0.371	58%	0.582	S	S	.	*	H	α-helix	trans	80.9	162.6	154.1	0	0	0	0	0	117.6	D12 A16 C17	D12-G14 VanDerWaalsContact C-N 3.34Å; D12-G14 PolarHBondContact O-N 3.21Å; D12-G14 VanDerWaalsContact O-N 3.12Å; G14-A16 VanDerWaalsContact C-N 3.26Å; G14-A16 PolarHBondContact O-N 3.32Å; G14-C17 PolarHBondContact O-N 2.81Å
15	P	37	Very low	38.1	Very low	107 Å²	107	110.9 Å²	110.9	70%	0.695	58%	0.583	S	S	*	*	H	α-helix	trans	-63.8	-25.2	-171.8	22.3	-31.8	0	0	0	114.3	C17 K18 N19	P15-C17 VanDerWaalsContact C-N 3.34Å; P15-C17 PolarHBondContact O-N 3.42Å; P15-K18 PolarHBondContact O-N 3Å; P15-N19 PolarHBondContact O-N 3.19Å
16	A	41	Very low	37.8	Very low	69 Å²	69	113.9 Å²	113.9	57%	0.57	60%	0.604	S	S	*	*	H	α-helix	trans	-65.4	-34.8	177.1	0	0	0	0	0	112.8	G14 F20	G14-A16 VanDerWaalsContact C-N 3.26Å; G14-A16 PolarHBondContact O-N 3.32Å; A16-F20 PolarHBondContact O-N 3.2Å
17	C	37.8	Very low	37.2	Very low	42 Å²	42	114.3 Å²	114.3	28%	0.284	61%	0.61	S	S	.	*	H	α-helix	trans	-71.2	-32.2	175.8	-71.3	0	0	0	0	112.2	I10 Y13 G14 P15 L21	I10-C17 HydrophobicContact CG2-CB 4.49Å; Y13-C17 PolarHBondContact O-SG 2.98Å; G14-C17 PolarHBondContact O-N 2.81Å; P15-C17 VanDerWaalsContact C-N 3.34Å; P15-C17 PolarHBondContact O-N 3.42Å; C17-L21 WeakPolarHBondContact O-CG 3.32Å; C17-L21 PolarHBondContact O-N 3.3Å
18	K	37.5	Very low	36.7	Very low	136 Å²	136	117.4 Å²	117.4	59%	0.591	62%	0.622	S	S	*	*	H	α-helix	trans	-66.5	-41.3	175.3	-101.9	-178.2	177.7	176.4	0	112.5	P15 F20 L21 Q22	P15-K18 PolarHBondContact O-N 3Å; K18-F20 VanDerWaalsContact C-N 3.32Å; K18-F20 PolarHBondContact O-N 3.28Å; K18-L21 PolarHBondContact O-N 3.31Å; K18-Q22 PolarHBondContact O-N 2.67Å; K18-Q22 VanDerWaalsContact O-N 3.09Å
19	N	36.6	Very low	36.3	Very low	112 Å²	112	114.6 Å²	114.6	60%	0.599	63%	0.626	S	S	*	*	H	α-helix	trans	-67.2	-33.8	179.3	-69.5	-12	0	0	0	112.1	P15 L21 Q22 A23	P15-N19 PolarHBondContact O-N 3.19Å; N19-L21 VanDerWaalsContact C-N 3.34Å; N19-Q22 PolarHBondContact O-N 3.32Å; N19-A23 PolarHBondContact O-N 2.9Å
20	F	36.3	Very low	35.7	Very low	180 Å²	180	115.4 Å²	115.4	79%	0.789	63%	0.634	S	S	*	*	H	α-helix	trans	-72.8	-26.9	176.2	-153.3	-92.6	0	0	0	112.8	A16 K18	A16-F20 PolarHBondContact O-N 3.2Å; K18-F20 VanDerWaalsContact C-N 3.32Å; K18-F20 PolarHBondContact O-N 3.28Å
21	L	39.8	Very low	35.4	Very low	112 Å²	112	117.6 Å²	117.6	59%	0.586	66%	0.661	S	S	*	*	H	α-helix	trans	-85.1	-14.5	175.4	-71.1	169.7	0	0	0	113.8	C17 K18 N19	C17-L21 WeakPolarHBondContact O-CG 3.32Å; C17-L21 PolarHBondContact O-N 3.3Å; K18-L21 PolarHBondContact O-N 3.31Å; N19-L21 VanDerWaalsContact C-N 3.34Å
22	Q	34.6	Very low	35.3	Very low	157 Å²	157	120.4 Å²	120.4	73%	0.734	67%	0.671	S	S	*	*	H	α-helix	trans	-100.4	-4.5	175.7	-78.6	-170.9	-28.9	0	0	114	K18 N19 D24	K18-Q22 PolarHBondContact O-N 2.67Å; K18-Q22 VanDerWaalsContact O-N 3.09Å; N19-Q22 PolarHBondContact O-N 3.32Å; Q22-D24 PolarHBondContact O-N 3.42Å
23	A	33.7	Very low	35.2	Very low	73 Å²	73	118.5 Å²	118.5	60%	0.603	66%	0.661	S	S	*	*	S	Bend	trans	-74.7	123.3	172.1	0	0	0	0	0	110	N19	N19-A23 PolarHBondContact O-N 2.9Å
24	D	28.6	Very low	35.1	Very low	155 Å²	155	116 Å²	116	83%	0.829	66%	0.662	S	S	*	*	S	Bend	trans	-49.1	155.2	-172.3	-76.8	-55	0	0	0	116.5	Q22	Q22-D24 PolarHBondContact O-N 3.42Å
25	S	29.7	Very low	35.2	Very low	104 Å²	104	122.7 Å²	122.7	73%	0.727	68%	0.676	S	S	*	*			trans	91.8	102	164.1	77.3	0	0	0	0	117.5	F27	S25-F27 PolarHBondContact O-N 3Å
26	V	32.4	Very low	35.8	Very low	149 Å²	149	120.6 Å²	120.6	90%	0.903	66%	0.662	S	S	*	*			trans	-54.7	90.8	162.9	178.7	0	0	0	0	109.8
27	F	27.5	Very low	36.4	Very low	179 Å²	179	120.4 Å²	120.4	79%	0.785	65%	0.653	S	S	*	*			trans	-135.4	106	160.5	-97.9	-82.7	0	0	0	110.7	S25 V29	S25-F27 PolarHBondContact O-N 3Å; F27-V29 PolarHBondContact O-N 3.3Å
28	Q	27.7	Very low	37.3	Very low	166 Å²	166	122.7 Å²	122.7	78%	0.776	67%	0.666	S	S	*	*			trans	6.8	95	160.5	-67.9	-177.5	-21.5	0	0	117.1	T30	Q28-T30 PolarHBondContact O-N 2.86Å
29	V	30.6	Very low	38	Very low	132 Å²	132	121.5 Å²	121.5	80%	0.8	67%	0.666	S	S	*	*			trans	-74	71.9	155.1	-175.1	0	0	0	0	108.1	F27	F27-V29 PolarHBondContact O-N 3.3Å
30	T	30.9	Very low	38.9	Very low	107 Å²	107	120.6 Å²	120.6	66%	0.656	66%	0.66	S	S	*	*			trans	-113.7	115.4	164	38.2	0	0	0	0	107.4	Q28	Q28-T30 PolarHBondContact O-N 2.86Å
31	A	37.6	Very low	40.1	Very low	104 Å²	104	116 Å²	116	86%	0.86	65%	0.647	S	S	*	*			trans	90.7	22.3	172.7	0	0	0	0	0	119.7	N33	A31-N33 PolarHBondContact O-N 2.69Å
32	L	37.4	Very low	40.7	Very low	110 Å²	110	113.5 Å²	113.5	58%	0.576	64%	0.642	S	S	*	*			trans	-76.1	102	149.7	-105.9	135.6	0	0	0	107.9	V34 T36	L32-V34 PolarHBondContact O-N 3.45Å; L32-T36 HydrophobicContact CD2-CG2 4.1Å
33	N	39.5	Very low	41.6	Very low	95 Å²	95	112 Å²	112	51%	0.508	64%	0.637	S	S	.	*			trans	-45.3	128.3	-179.5	-167.4	-18.4	0	0	0	110.3	A31 R35 T36 V37	A31-N33 PolarHBondContact O-N 2.69Å; N33-R35 PolarHBondContact O-N 2.85Å; N33-R35 PolarHBondContact OD1-N 3.25Å; N33-T36 PolarHBondContact O-N 3.02Å; N33-V37 PolarHBondContact O-N 2.81Å
34	V	43	Very low	42.8	Very low	110 Å²	110	111.9 Å²	111.9	67%	0.667	63%	0.629	S	S	*	*	H	α-helix	trans	-49	-31	177.4	175.6	0	0	0	0	111.2	L32 T36 V37 V38	L32-V34 PolarHBondContact O-N 3.45Å; V34-T36 PolarHBondContact O-N 3.37Å; V34-V37 PolarHBondContact O-N 3.33Å; V34-V38 HydrophobicContact CG1-CG2 4.14Å; V34-V38 VanDerWaalsContact O-CG2 3.32Å; V34-V38 WeakPolarHBondContact O-CG2 3.21Å; V34-V38 PolarHBondContact O-N 2.86Å
35	R	41	Very low	43.8	Very low	177 Å²	177	110.4 Å²	110.4	67%	0.668	62%	0.615	S	S	*	*	H	α-helix	trans	-53.9	-48.3	170.4	-85.7	-176	170.1	175.8	-1.8	113.8	N33 V37 V38 L39	N33-R35 PolarHBondContact O-N 2.85Å; N33-R35 PolarHBondContact OD1-N 3.25Å; R35-V37 VanDerWaalsContact C-N 3.34Å; R35-V38 PolarHBondContact O-N 2.89Å; R35-L39 WeakPolarHBondContact O-CB 3.05Å; R35-L39 PolarHBondContact O-N 3.25Å
36	T	49.1	Very low	44.8	Very low	64 Å²	64	108 Å²	108	39%	0.393	60%	0.602	S	S	.	*	H	α-helix	trans	-68.1	-38	-177.8	-47.8	0	0	0	0	110.5	L32 N33 V34 L40	L32-T36 HydrophobicContact CD2-CG2 4.1Å; N33-T36 PolarHBondContact O-N 3.02Å; V34-T36 PolarHBondContact O-N 3.37Å; T36-L40 HydrophobicContact CG2-CD1 3.85Å; T36-L40 HydrophobicContact CG2-CG 4.41Å; T36-L40 WeakPolarHBondContact O-CB 3.42Å; T36-L40 WeakPolarHBondContact O-CD1 3.46Å; T36-L40 VanDerWaalsContact O-CG 3.26Å; T36-L40 WeakPolarHBondContact O-CG 3.34Å; T36-L40 PolarHBondContact O-N 3.31Å
37	V	52.7	Low	45.8	Very low	64 Å²	64	108.8 Å²	108.8	39%	0.388	59%	0.588	S	S	.	*	H	α-helix	trans	-67.3	-45	176.5	-178.3	0	0	0	0	111	N33 V34 R35 L39 L40 V41	N33-V37 PolarHBondContact O-N 2.81Å; V34-V37 PolarHBondContact O-N 3.33Å; R35-V37 VanDerWaalsContact C-N 3.34Å; V37-L39 PolarHBondContact O-N 3.5Å; V37-L40 PolarHBondContact O-N 3.12Å; V37-V41 HydrophobicContact CG1-CG2 4.17Å; V37-V41 WeakPolarHBondContact O-CB 3.44Å; V37-V41 WeakPolarHBondContact O-CG2 3.27Å; V37-V41 PolarHBondContact O-N 3.49Å
38	V	56.4	Low	46.9	Very low	90 Å²	90	105.2 Å²	105.2	55%	0.545	57%	0.574	S	S	.	*	H	α-helix	trans	-63.6	-42.4	176.9	172.8	0	0	0	0	111.3	V34 R35 A42	V34-V38 HydrophobicContact CG1-CG2 4.14Å; V34-V38 VanDerWaalsContact O-CG2 3.32Å; V34-V38 WeakPolarHBondContact O-CG2 3.21Å; V34-V38 PolarHBondContact O-N 2.86Å; R35-V38 PolarHBondContact O-N 2.89Å; V38-A42 VanDerWaalsContact O-CB 3.24Å; V38-A42 WeakPolarHBondContact O-CB 3.43Å; V38-A42 PolarHBondContact O-N 2.9Å
39	L	52.2	Low	48	Very low	112 Å²	112	101 Å²	101	59%	0.586	56%	0.559	S	S	*	*	H	α-helix	trans	-66.1	-43.3	176.7	-124.5	131.6	0	0	0	111.4	R35 V37 A42 M43	R35-L39 WeakPolarHBondContact O-CB 3.05Å; R35-L39 PolarHBondContact O-N 3.25Å; V37-L39 PolarHBondContact O-N 3.5Å; L39-A42 PolarHBondContact O-N 3.46Å; L39-M43 HydrophobicContact CD2-SD 4.19Å; L39-M43 WeakPolarHBondContact O-CB 3.43Å; L39-M43 VanDerWaalsContact O-CG 3.22Å; L39-M43 WeakPolarHBondContact O-CG 3.44Å; L39-M43 PolarHBondContact O-N 2.76Å
40	L	56	Low	48.9	Very low	93 Å²	93	98.1 Å²	98.1	49%	0.487	54%	0.542	S	S	.	.	H	α-helix	trans	-63.7	-46.9	176	-81.2	165.4	0	0	0	110.9	T36 V37 A42 M43 T44	T36-L40 HydrophobicContact CG2-CD1 3.85Å; T36-L40 HydrophobicContact CG2-CG 4.41Å; T36-L40 WeakPolarHBondContact O-CB 3.42Å; T36-L40 WeakPolarHBondContact O-CD1 3.46Å; T36-L40 VanDerWaalsContact O-CG 3.26Å; T36-L40 WeakPolarHBondContact O-CG 3.34Å; T36-L40 PolarHBondContact O-N 3.31Å; V37-L40 PolarHBondContact O-N 3.12Å; L40-A42 VanDerWaalsContact C-N 3.33Å; L40-A42 PolarHBondContact O-N 2.82Å; L40-M43 CarbonylContact O-C 3.6Å; L40-M43 PolarHBondContact O-N 3.5Å; L40-M43 VanDerWaalsContact O-N 3.14Å; L40-T44 WeakPolarHBondContact O-CB 3.47Å; L40-T44 PolarHBondContact O-N 3.22Å; L40-T44 PolarHBondContact O-OG1 3.24Å
41	V	61.1	Low	49.8	Very low	83 Å²	83	97.3 Å²	97.3	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-61.2	-43.1	176.7	171.3	0	0	0	0	110.6	V37 M43 T44 K45	V37-V41 HydrophobicContact CG1-CG2 4.17Å; V37-V41 WeakPolarHBondContact O-CB 3.44Å; V37-V41 WeakPolarHBondContact O-CG2 3.27Å; V37-V41 PolarHBondContact O-N 3.49Å; V41-M43 VanDerWaalsContact C-N 3.33Å; V41-M43 PolarHBondContact O-N 3.05Å; V41-T44 PolarHBondContact O-N 3.41Å; V41-K45 VanDerWaalsContact O-CB 3.29Å; V41-K45 WeakPolarHBondContact O-CB 3.49Å; V41-K45 PolarHBondContact O-N 3.45Å
42	A	53.5	Low	50.2	Low	60 Å²	60	95.3 Å²	95.3	50%	0.496	51%	0.514	S	S	.	.	H	α-helix	trans	-63	-40	175.4	0	0	0	0	0	111.9	V38 L39 L40 A46	V38-A42 VanDerWaalsContact O-CB 3.24Å; V38-A42 WeakPolarHBondContact O-CB 3.43Å; V38-A42 PolarHBondContact O-N 2.9Å; L39-A42 PolarHBondContact O-N 3.46Å; L40-A42 VanDerWaalsContact C-N 3.33Å; L40-A42 PolarHBondContact O-N 2.82Å; A42-A46 WeakPolarHBondContact O-CB 3.46Å; A42-A46 PolarHBondContact O-N 3.1Å
43	M	53.2	Low	50.4	Low	126 Å²	126	95.3 Å²	95.3	62%	0.621	51%	0.514	S	S	*	.	H	α-helix	trans	-70.2	-39.3	176.3	-72.9	-170.2	86.5	0	0	112.5	L39 L40 V41 A46 R47	L39-M43 HydrophobicContact CD2-SD 4.19Å; L39-M43 WeakPolarHBondContact O-CB 3.43Å; L39-M43 VanDerWaalsContact O-CG 3.22Å; L39-M43 WeakPolarHBondContact O-CG 3.44Å; L39-M43 PolarHBondContact O-N 2.76Å; L40-M43 CarbonylContact O-C 3.6Å; L40-M43 PolarHBondContact O-N 3.5Å; L40-M43 VanDerWaalsContact O-N 3.14Å; V41-M43 VanDerWaalsContact C-N 3.33Å; V41-M43 PolarHBondContact O-N 3.05Å; M43-A46 PolarHBondContact O-N 2.8Å; M43-R47 VanDerWaalsContact O-CB 3.27Å; M43-R47 WeakPolarHBondContact O-CB 3.35Å; M43-R47 PolarHBondContact O-N 3.39Å
44	T	58.4	Low	50.5	Low	70 Å²	70	98.9 Å²	98.9	43%	0.429	52%	0.521	S	S	.	.	H	α-helix	trans	-66.9	-43.5	176.1	-50.9	0	0	0	0	110.1	L40 V41 R47 E48	L40-T44 WeakPolarHBondContact O-CB 3.47Å; L40-T44 PolarHBondContact O-N 3.22Å; L40-T44 PolarHBondContact O-OG1 3.24Å; V41-T44 PolarHBondContact O-N 3.41Å; T44-R47 CarbonylContact O-C 3.55Å; T44-R47 WeakPolarHBondContact O-CA 3.36Å; T44-R47 WeakPolarHBondContact O-CB 3.45Å; T44-R47 PolarHBondContact O-N 3.28Å; T44-R47 VanDerWaalsContact O-N 3.14Å; T44-E48 WeakPolarHBondContact O-CG 3.3Å; T44-E48 PolarHBondContact O-N 3.1Å
45	K	49.1	Very low	50.3	Low	124 Å²	124	98.5 Å²	98.5	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-67.1	-38.1	176.2	-140.2	166.3	-169	171.1	0	111.7	V41 R47 E48 V49	V41-K45 VanDerWaalsContact O-CB 3.29Å; V41-K45 WeakPolarHBondContact O-CB 3.49Å; V41-K45 PolarHBondContact O-N 3.45Å; K45-R47 VanDerWaalsContact C-N 3.32Å; K45-E48 PolarHBondContact O-N 3.46Å; K45-V49 WeakPolarHBondContact O-CB 3.42Å; K45-V49 WeakPolarHBondContact O-CG2 3.19Å; K45-V49 PolarHBondContact O-N 3.26Å
46	A	52.5	Low	50.2	Low	54 Å²	54	94.5 Å²	94.5	45%	0.446	52%	0.523	S	S	.	.	H	α-helix	trans	-62.7	-40.8	171.1	0	0	0	0	0	111.2	A42 M43 V49 V50	A42-A46 WeakPolarHBondContact O-CB 3.46Å; A42-A46 PolarHBondContact O-N 3.1Å; M43-A46 PolarHBondContact O-N 2.8Å; A46-V49 PolarHBondContact O-N 3.15Å; A46-V50 WeakPolarHBondContact O-CB 3.21Å; A46-V50 WeakPolarHBondContact O-CG2 3.32Å; A46-V50 PolarHBondContact O-N 3.32Å
47	R	52.1	Low	49.5	Very low	164 Å²	164	100 Å²	100	62%	0.619	54%	0.541	S	S	*	.	H	α-helix	trans	-66.4	-43.8	176	-176.2	177.7	173.3	170.4	-0.8	112.1	M43 T44 K45 V49 V50 E51	M43-R47 VanDerWaalsContact O-CB 3.27Å; M43-R47 WeakPolarHBondContact O-CB 3.35Å; M43-R47 PolarHBondContact O-N 3.39Å; T44-R47 CarbonylContact O-C 3.55Å; T44-R47 WeakPolarHBondContact O-CA 3.36Å; T44-R47 WeakPolarHBondContact O-CB 3.45Å; T44-R47 PolarHBondContact O-N 3.28Å; T44-R47 VanDerWaalsContact O-N 3.14Å; K45-R47 VanDerWaalsContact C-N 3.32Å; R47-V49 VanDerWaalsContact C-N 3.33Å; R47-V49 PolarHBondContact O-N 3.11Å; R47-V50 CarbonylContact O-C 3.5Å; R47-V50 PolarHBondContact O-N 3.45Å; R47-E51 HydrophobicContact CG-CG 4.3Å; R47-E51 IonicContact CZ-OE1 3.26Å; R47-E51 IonicContact NE-OE1 3.42Å; R47-E51 PolarHBondContact NE-OE1 2.84Å; R47-E51 IonicContact NH2-OE1 3.24Å; R47-E51 PolarHBondContact NH2-OE1 3.37Å; R47-E51 WeakPolarHBondContact O-CB 3.47Å; R47-E51 WeakPolarHBondContact O-CG 3.29Å; R47-E51 PolarHBondContact O-N 3.05Å
48	E	50.9	Low	48.4	Very low	104 Å²	104	104 Å²	104	49%	0.486	56%	0.557	S	S	.	*	H	α-helix	trans	-62.2	-40.6	174.9	-76.2	175.1	175.5	0	0	111.4	T44 K45 V50 E51 A52	T44-E48 WeakPolarHBondContact O-CG 3.3Å; T44-E48 PolarHBondContact O-N 3.1Å; K45-E48 PolarHBondContact O-N 3.46Å; E48-V50 VanDerWaalsContact C-N 3.34Å; E48-E51 PolarHBondContact O-N 3.47Å; E48-A52 WeakPolarHBondContact O-CB 3.45Å; E48-A52 PolarHBondContact O-N 2.91Å
49	V	51.7	Low	47	Very low	78 Å²	78	107.5 Å²	107.5	47%	0.473	57%	0.573	S	S	.	*	H	α-helix	trans	-64.6	-41.6	174.2	170	0	0	0	0	110.5	K45 A46 R47 L53	K45-V49 WeakPolarHBondContact O-CB 3.42Å; K45-V49 WeakPolarHBondContact O-CG2 3.19Å; K45-V49 PolarHBondContact O-N 3.26Å; A46-V49 PolarHBondContact O-N 3.15Å; R47-V49 VanDerWaalsContact C-N 3.33Å; R47-V49 PolarHBondContact O-N 3.11Å; V49-L53 HydrophobicContact CG1-CD1 3.88Å; V49-L53 WeakPolarHBondContact O-CB 3.18Å; V49-L53 WeakPolarHBondContact O-CD1 3.45Å; V49-L53 WeakPolarHBondContact O-CG 3.28Å; V49-L53 PolarHBondContact O-N 3.09Å
50	V	49.1	Very low	45.8	Very low	72 Å²	72	108.3 Å²	108.3	44%	0.436	58%	0.577	S	S	.	*	H	α-helix	trans	-64.5	-48.9	174.8	170.6	0	0	0	0	110.5	A46 R47 E48 A52 L53 Y54	A46-V50 WeakPolarHBondContact O-CB 3.21Å; A46-V50 WeakPolarHBondContact O-CG2 3.32Å; A46-V50 PolarHBondContact O-N 3.32Å; R47-V50 CarbonylContact O-C 3.5Å; R47-V50 PolarHBondContact O-N 3.45Å; E48-V50 VanDerWaalsContact C-N 3.34Å; V50-A52 VanDerWaalsContact C-N 3.32Å; V50-A52 PolarHBondContact O-N 3Å; V50-L53 CarbonylContact O-C 3.59Å; V50-L53 WeakPolarHBondContact O-CB 3.5Å; V50-L53 PolarHBondContact O-N 3.33Å; V50-L53 VanDerWaalsContact O-N 3.12Å; V50-Y54 HydrophobicContact CG1-CD2 3.64Å; V50-Y54 HydrophobicContact CG1-CE2 3.79Å; V50-Y54 VanDerWaalsContact O-CD2 3.27Å; V50-Y54 WeakPolarHBondContact O-CD2 3.37Å; V50-Y54 PolarHBondContact O-N 3.46Å
51	E	50.3	Low	44.5	Very low	90 Å²	90	113.3 Å²	113.3	42%	0.421	60%	0.596	S	S	.	*	H	α-helix	trans	-65	-32.7	178.6	-75.4	178.8	-179	0	0	112.4	R47 E48 Y54 S55	R47-E51 HydrophobicContact CG-CG 4.3Å; R47-E51 IonicContact CZ-OE1 3.26Å; R47-E51 IonicContact NE-OE1 3.42Å; R47-E51 PolarHBondContact NE-OE1 2.84Å; R47-E51 IonicContact NH2-OE1 3.24Å; R47-E51 PolarHBondContact NH2-OE1 3.37Å; R47-E51 WeakPolarHBondContact O-CB 3.47Å; R47-E51 WeakPolarHBondContact O-CG 3.29Å; R47-E51 PolarHBondContact O-N 3.05Å; E48-E51 PolarHBondContact O-N 3.47Å; E51-Y54 PolarHBondContact O-N 2.81Å; E51-S55 WeakPolarHBondContact O-CB 3.35Å; E51-S55 PolarHBondContact O-N 3.28Å; E51-S55 PolarHBondContact O-OG 2.67Å; E51-S55 VanDerWaalsContact O-OG 3.04Å
52	A	45.5	Very low	42.7	Very low	61 Å²	61	112.7 Å²	112.7	50%	0.504	61%	0.606	S	S	.	*	H	α-helix	trans	-69.8	-38.5	171.5	0	0	0	0	0	111.7	E48 V50 Y54 S56	E48-A52 WeakPolarHBondContact O-CB 3.45Å; E48-A52 PolarHBondContact O-N 2.91Å; V50-A52 VanDerWaalsContact C-N 3.32Å; V50-A52 PolarHBondContact O-N 3Å; A52-Y54 VanDerWaalsContact C-N 3.33Å; A52-S56 PolarHBondContact O-N 3.3Å; A52-S56 PolarHBondContact O-OG 2.85Å
53	L	41.4	Very low	41.2	Very low	111 Å²	111	115.7 Å²	115.7	58%	0.581	62%	0.623	S	S	*	*	H	α-helix	trans	-68.7	-32.3	173.5	-72.4	166	0	0	0	112	V49 V50 S56	V49-L53 HydrophobicContact CG1-CD1 3.88Å; V49-L53 WeakPolarHBondContact O-CB 3.18Å; V49-L53 WeakPolarHBondContact O-CD1 3.45Å; V49-L53 WeakPolarHBondContact O-CG 3.28Å; V49-L53 PolarHBondContact O-N 3.09Å; V50-L53 CarbonylContact O-C 3.59Å; V50-L53 WeakPolarHBondContact O-CB 3.5Å; V50-L53 PolarHBondContact O-N 3.33Å; V50-L53 VanDerWaalsContact O-N 3.12Å; L53-S56 PolarHBondContact O-OG 3.15Å; L53-S56 VanDerWaalsContact O-OG 3.14Å
54	Y	42.2	Very low	39.9	Very low	169 Å²	169	117.8 Å²	117.8	66%	0.663	64%	0.636	S	S	*	*	H	α-helix	trans	-80.4	-38.6	175.9	-88.5	-86.1	0	0	0	112.7	V50 E51 A52 S56 K57	V50-Y54 HydrophobicContact CG1-CD2 3.64Å; V50-Y54 HydrophobicContact CG1-CE2 3.79Å; V50-Y54 VanDerWaalsContact O-CD2 3.27Å; V50-Y54 WeakPolarHBondContact O-CD2 3.37Å; V50-Y54 PolarHBondContact O-N 3.46Å; E51-Y54 PolarHBondContact O-N 2.81Å; A52-Y54 VanDerWaalsContact C-N 3.33Å; Y54-S56 VanDerWaalsContact C-N 3.26Å; Y54-S56 PolarHBondContact O-N 3.14Å; Y54-K57 PolarHBondContact O-N 3.05Å; Y54-K57 VanDerWaalsContact O-N 3.13Å
55	S	38.4	Very low	38.3	Very low	103 Å²	103	119.2 Å²	119.2	72%	0.72	65%	0.649	S	S	*	*	H	α-helix	trans	-65.9	-26.7	175.9	-74.2	0	0	0	0	112.8	E51 K57	E51-S55 WeakPolarHBondContact O-CB 3.35Å; E51-S55 PolarHBondContact O-N 3.28Å; E51-S55 PolarHBondContact O-OG 2.67Å; E51-S55 VanDerWaalsContact O-OG 3.04Å; S55-K57 PolarHBondContact O-N 3.33Å
56	S	37.4	Very low	37.1	Very low	92 Å²	92	119.7 Å²	119.7	64%	0.643	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	1.2	174.9	63.2	0	0	0	0	114.4	A52 L53 Y54	A52-S56 PolarHBondContact O-N 3.3Å; A52-S56 PolarHBondContact O-OG 2.85Å; L53-S56 PolarHBondContact O-OG 3.15Å; L53-S56 VanDerWaalsContact O-OG 3.14Å; Y54-S56 VanDerWaalsContact C-N 3.26Å; Y54-S56 PolarHBondContact O-N 3.14Å
57	K	36.3	Very low	35.7	Very low	180 Å²	180	120.4 Å²	120.4	78%	0.783	68%	0.675	S	S	*	*	S	Bend	trans	-135.2	11.4	-176.3	-99.4	-172.7	178.5	-177.8	0	117.5	Y54 S55	Y54-K57 PolarHBondContact O-N 3.05Å; Y54-K57 VanDerWaalsContact O-N 3.13Å; S55-K57 PolarHBondContact O-N 3.33Å
58	M	29.3	Very low	34.3	Very low	147 Å²	147	119.5 Å²	119.5	72%	0.724	68%	0.682	S	S	*	*			trans	-138.5	80.9	175.3	-76.8	-154.2	155.7	0	0	114.2
59	D	26.5	Very low	33	Very low	164 Å²	164	120 Å²	120	88%	0.877	69%	0.693	S	S	*	*			trans	-90.3	90.8	136.1	-90.3	-31.9	0	0	0	106.4
60	L	26.9	Very low	31.9	Very low	129 Å²	129	127.1 Å²	127.1	68%	0.675	71%	0.713	S	S	*	*			trans	178.3	109.6	161.1	-98.4	145.2	0	0	0	110.3
61	F	27.7	Very low	30.6	Very low	199 Å²	199	126.9 Å²	126.9	87%	0.873	73%	0.725	S	S	*	*			trans	62.2	131.6	167.7	-62.2	-83.1	0	0	0	115.6
62	G	23.5	Very low	29.4	Very low	70 Å²	70	130 Å²	130	72%	0.722	75%	0.745	S	S	*	*			cis	149.2	122.5	25.7	0	0	0	0	0	105.4
63	S	23.1	Very low	28.4	Very low	122 Å²	122	132.3 Å²	132.3	85%	0.853	76%	0.757	S	S	*	*			trans	-50.7	133.9	-174.7	-5.1	0	0	0	0	115.5
64	L	26	Very low	27.7	Very low	171 Å²	171	130.2 Å²	130.2	90%	0.895	76%	0.763	S	S	*	*			trans	-152.7	96.2	151.9	-85.4	168.7	0	0	0	106.7
65	S	24.4	Very low	26.8	Very low	99 Å²	99	127.1 Å²	127.1	69%	0.692	77%	0.765	S	S	*	*				75.8	96.6	91.8	-163	0	0	0	0	115
66	T	23.3	Very low	26.2	Very low	135 Å²	135	130.9 Å²	130.9	83%	0.828	77%	0.769	S	S	*	*				37.8	134.5	129.2	60.5	0	0	0	0	122.3
67	G	23.2	Very low	25.5	Very low	69 Å²	69	134.1 Å²	134.1	71%	0.711	77%	0.774	S	S	*	*			trans	149.2	83.9	154.4	0	0	0	0	0	110.8
68	D	24.1	Very low	24.9	Very low	144 Å²	144	129.7 Å²	129.7	77%	0.77	77%	0.766	S	S	*	*				80.6	104.8	85.2	-80	-30.4	0	0	0	115.3
69	T	22.3	Very low	24.8	Very low	115 Å²	115	132 Å²	132	71%	0.706	78%	0.775	S	S	*	*				57.9	162.9	126.6	51.8	0	0	0	0	123.4
70	Y	28.1	Very low	24.5	Very low	227 Å²	227	131 Å²	131	89%	0.89	78%	0.775	S	S	*	*			trans	93.9	116.9	-176	-63.4	-77	0	0	0	114.7
71	G	22.4	Very low	24.5	Very low	68 Å²	68	129.9 Å²	129.9	70%	0.701	78%	0.784	S	S	*	*			cis	123.2	132	12.5	0	0	0	0	0	110.4
72	D	26.4	Very low	24.3	Very low	155 Å²	155	126 Å²	126	83%	0.829	78%	0.777	S	S	*	*			trans	71.7	121.3	168.4	-75.4	-28.1	0	0	0	119.6
73	S	24.6	Very low	24.4	Very low	110 Å²	110	129.7 Å²	129.7	77%	0.769	78%	0.779	S	S	*	*			cis	85	138.1	44.8	90.9	0	0	0	0	114.2
74	G	25.3	Very low	24.5	Very low	67 Å²	67	129 Å²	129	69%	0.691	77%	0.774	S	S	*	*			trans	124.7	80.8	180	0	0	0	0	0	112.2
75	S	23	Very low	24.5	Very low	103 Å²	103	128.4 Å²	128.4	72%	0.72	77%	0.767	S	S	*	*				56.6	122.2	71.9	79.6	0	0	0	0	115
76	F	27	Very low	24.8	Very low	182 Å²	182	132.3 Å²	132.3	80%	0.798	78%	0.779	S	S	*	*			trans	167.1	97	141.7	-95.3	-73	0	0	0	106.8
77	E	22.9	Very low	24.8	Very low	161 Å²	161	134 Å²	134	75%	0.752	78%	0.78	S	S	*	*				60.6	100.7	93.9	-77.3	-170.9	161.4	0	0	112.8
78	S	22.6	Very low	24.9	Very low	87 Å²	87	135.9 Å²	135.9	61%	0.608	78%	0.782	S	S	*	*				79.1	118	82.1	72.3	0	0	0	0	112.8
79	H	27.1	Very low	25.1	Very low	195 Å²	195	135.9 Å²	135.9	90%	0.903	79%	0.787	S	S	*	*			trans	-171.5	80.7	148.6	-84.1	-43.8	0	0	0	108.8
80	T	21.6	Very low	25.2	Very low	144 Å²	144	135.8 Å²	135.8	88%	0.883	79%	0.791	S	S	*	*			trans	-87.4	115	159.2	36	0	0	0	0	108.3
81	A	25.5	Very low	25.2	Very low	104 Å²	104	130.1 Å²	130.1	86%	0.86	78%	0.784	S	S	*	*			trans	-118.8	110.8	168.2	0	0	0	0	0	109.2
82	T	24.2	Very low	25.2	Very low	119 Å²	119	131.2 Å²	131.2	73%	0.73	78%	0.781	S	S	*	*			trans	-71.5	137.7	169.7	-28.2	0	0	0	0	109.4
83	L	25.4	Very low	25.3	Very low	147 Å²	147	131 Å²	131	77%	0.77	78%	0.78	S	S	*	*			trans	-154.4	76.2	154.2	-111.5	163.2	0	0	0	110.3	Q85	L83-Q85 VanDerWaalsContact C-N 3.27Å; L83-Q85 HydrophobicContact CD2-CB 4.16Å; L83-Q85 HydrophobicContact CD2-CG 3.94Å; L83-Q85 PolarHBondContact O-N 3.43Å
84	S	24.8	Very low	25.6	Very low	108 Å²	108	134.2 Å²	134.2	76%	0.755	79%	0.788	S	S	*	*			trans	-59.2	85.3	151.2	44.2	0	0	0	0	110.2
85	Q	27.1	Very low	25.7	Very low	158 Å²	158	135.8 Å²	135.8	74%	0.738	79%	0.789	S	S	*	*			trans	-148.5	78.3	161.3	-76.5	-168.2	-14	0	0	110.2	L83	L83-Q85 VanDerWaalsContact C-N 3.27Å; L83-Q85 HydrophobicContact CD2-CB 4.16Å; L83-Q85 HydrophobicContact CD2-CG 3.94Å; L83-Q85 PolarHBondContact O-N 3.43Å
86	L	30.3	Very low	25.8	Very low	181 Å²	181	137.9 Å²	137.9	95%	0.948	80%	0.797	S	S	*	*			trans	-138.2	73.2	149.5	-100.4	159.3	0	0	0	106
87	M	23.2	Very low	25.9	Very low	171 Å²	171	133.4 Å²	133.4	84%	0.842	79%	0.794	S	S	*	*			trans	-76.7	148.8	163.4	-76.5	-149.8	-176.2	0	0	109.8
88	S	24.9	Very low	26.2	Very low	107 Å²	107	130.5 Å²	130.5	75%	0.748	79%	0.791	S	S	*	*			trans	82.5	100.7	148.2	-49.5	0	0	0	0	118.5
89	T	28.9	Very low	26.5	Very low	145 Å²	145	133.4 Å²	133.4	89%	0.89	81%	0.806	S	S	*	*				-147.2	136.8	118.1	43.5	0	0	0	0	111.6
90	S	23.6	Very low	26.6	Very low	112 Å²	112	132.6 Å²	132.6	78%	0.783	80%	0.802	S	S	*	*			trans	-54.4	149	176.1	51.6	0	0	0	0	115.9
91	S	28.5	Very low	26.9	Very low	108 Å²	108	128.9 Å²	128.9	76%	0.755	79%	0.792	S	S	*	*				179.9	131.2	94.2	-159.6	0	0	0	0	111.5
92	S	23.4	Very low	27.2	Very low	91 Å²	91	130.1 Å²	130.1	64%	0.636	79%	0.79	S	S	*	*			trans	-43.9	134.5	161.4	41.1	0	0	0	0	114.4
93	D	27.5	Very low	27.9	Very low	150 Å²	150	130.7 Å²	130.7	80%	0.802	79%	0.788	S	S	*	*				165.3	93.4	126.8	-82	-13.5	0	0	0	109.7
94	L	31.7	Very low	28.6	Very low	178 Å²	178	131.8 Å²	131.8	93%	0.932	79%	0.789	S	S	*	*			trans	-162.1	103.2	145.8	-103.5	138.9	0	0	0	108.4
95	S	27.3	Very low	29.9	Very low	101 Å²	101	130.5 Å²	130.5	71%	0.706	78%	0.777	S	S	*	*			trans	-32.6	137.6	172.9	49.3	0	0	0	0	116.4	A97	S95-A97 PolarHBondContact O-N 3.42Å
96	T	24.4	Very low	31.4	Very low	147 Å²	147	126.3 Å²	126.3	90%	0.902	76%	0.762	S	S	*	*			trans	-35	108.9	151.4	47.8	0	0	0	0	113.4
97	A	29.5	Very low	32.7	Very low	87 Å²	87	121.6 Å²	121.6	72%	0.719	74%	0.741	S	S	*	*			trans	-124.2	106.9	156.8	0	0	0	0	0	107.7	S95	S95-A97 PolarHBondContact O-N 3.42Å
98	S	28.6	Very low	34.6	Very low	101 Å²	101	115 Å²	115	71%	0.706	71%	0.709	S	S	*	*			trans	35.2	103.6	152	52.4	0	0	0	0	118.2	E100	S98-E100 PolarHBondContact O-N 2.73Å
99	T	28.8	Very low	36.5	Very low	148 Å²	148	118.4 Å²	118.4	91%	0.908	71%	0.713	S	S	*	*			trans	-59.3	88.9	153.2	43.5	0	0	0	0	110.9
100	E	28.6	Very low	38.9	Very low	177 Å²	177	114.9 Å²	114.9	83%	0.827	69%	0.694	S	S	*	*	S	Bend	trans	-134.2	103.7	158.9	-78.5	-172.7	167.5	0	0	107.7	S98	S98-E100 PolarHBondContact O-N 2.73Å
101	G	28.8	Very low	41.8	Very low	66 Å²	66	109.8 Å²	109.8	68%	0.68	66%	0.658	S	S	*	*			trans	54.6	81.8	171.9	0	0	0	0	0	114.7	N103	G101-N103 PolarHBondContact O-N 2.89Å
102	T	32.4	Very low	44.7	Very low	131 Å²	131	105.7 Å²	105.7	80%	0.804	63%	0.627	S	S	*	*			trans	-60.8	91.4	150.9	46.3	0	0	0	0	106.4	E104	T102-E104 PolarHBondContact O-N 3.27Å
103	N	38.1	Very low	47.9	Very low	131 Å²	131	102.5 Å²	102.5	70%	0.701	61%	0.605	S	S	*	*			trans	-54.6	97.1	156.3	-78.3	-19.1	0	0	0	104	G101 V105	G101-N103 PolarHBondContact O-N 2.89Å; N103-V105 VanDerWaalsContact C-N 3.28Å; N103-V105 PolarHBondContact O-N 2.88Å
104	E	40.9	Very low	51	Low	169 Å²	169	95.5 Å²	95.5	79%	0.79	57%	0.568	S	S	*	*			trans	-57.2	103.8	173.1	-80.2	-170.1	161.4	0	0	105.9	T102 T106	T102-E104 PolarHBondContact O-N 3.27Å; E104-T106 VanDerWaalsContact C-N 3.33Å; E104-T106 PolarHBondContact O-N 3.34Å; E104-T106 PolarHBondContact O-OG1 2.97Å
105	V	50.8	Low	54.1	Low	81 Å²	81	87.1 Å²	87.1	49%	0.491	52%	0.523	S	S	.	.			trans	-61.8	101.2	179.9	174.6	0	0	0	0	106.3	N103 V107 V496	N103-V105 VanDerWaalsContact C-N 3.28Å; N103-V105 PolarHBondContact O-N 2.88Å; V105-V107 HydrophobicContact CG1-CG2 4.14Å; V105-V107 PolarHBondContact O-N 3.14Å; V105-V107 VanDerWaalsContact O-N 3.17Å; V105-V496 HydrophobicContact CG1-CG1 3.31Å
106	T	58.4	Low	57.2	Low	70 Å²	70	82.5 Å²	82.5	43%	0.429	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	107.1	-179.4	-60.6	0	0	0	0	107.4	E104 R497	E104-T106 VanDerWaalsContact C-N 3.33Å; E104-T106 PolarHBondContact O-N 3.34Å; E104-T106 PolarHBondContact O-OG1 2.97Å; T106-R497 WeakPolarHBondContact O-CB 3.44Å; T106-R497 PolarHBondContact O-N 3.49Å
107	V	59.4	Low	60.4	Low	83 Å²	83	76.1 Å²	76.1	50%	0.503	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	112.9	177.2	-177.9	0	0	0	0	109	V105 R494 V495	V105-V107 HydrophobicContact CG1-CG2 4.14Å; V105-V107 PolarHBondContact O-N 3.14Å; V105-V107 VanDerWaalsContact O-N 3.17Å; V107-R494 HydrophobicContact CG1-CB 4.36Å; V107-V495 CarbonylContact C-O 3.6Å; V107-V495 VanDerWaalsContact CA-O 3.29Å; V107-V495 WeakPolarHBondContact CA-O 3.13Å
108	L	61.6	Low	63.5	Low	33 Å²	33	72.7 Å²	72.7	17%	0.173	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	147.7	168	-59.4	176.1	0	0	0	110.6	S110 R494 V495 R497 E580	L108-S110 VanDerWaalsContact C-N 3.33Å; L108-R494 WeakPolarHBondContact O-CA 3.3Å; L108-V495 HydrophobicContact CB-CB 4.12Å; L108-V495 HydrophobicContact CD1-CB 4.24Å; L108-V495 HydrophobicContact CD1-CG1 4.22Å; L108-V495 PolarHBondContact N-O 3.03Å; L108-V495 PolarHBondContact O-N 3.13Å; L108-V495 VanDerWaalsContact O-N 3.14Å; L108-R497 HydrophobicContact CD1-CG 3.82Å; L108-R497 VanDerWaalsContact CD1-CZ 3.43Å; L108-R497 HydrophobicContact CG-CG 3.88Å; L108-E580 WeakPolarHBondContact CD1-OE1 3.35Å
109	Q	65.8	Low	66.6	Low	177 Å²	177	69 Å²	69	83%	0.827	40%	0.396	S	S	*	.	S	Bend	trans	-74.6	-23.5	175.9	-63.8	-166.8	-13.4	0	0	113.4
110	S	78.5	Confident	69.9	Low	72 Å²	72	62.1 Å²	62.1	50%	0.503	35%	0.353	S	S	.	.	S	Bend	trans	-148.6	148.8	179.3	55.3	0	0	0	0	110.4	L108 Q493	L108-S110 VanDerWaalsContact C-N 3.33Å; S110-Q493 CarbonylContact C-O 3.51Å; S110-Q493 WeakPolarHBondContact CA-O 3.48Å
111	P	84.8	Confident	73.1	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.032	32%	0.317	C	S	.	.			trans	-65.1	162.7	169.2	31.1	-36.2	0	0	0	111.5	Q493 V495 K583 S584 V587	P111-Q493 WeakPolarHBondContact CD-O 3.44Å; P111-V495 HydrophobicContact CB-CG2 3.62Å; P111-K583 HydrophobicContact CB-CB 4.09Å; P111-K583 HydrophobicContact CG-CB 4.38Å; P111-S584 WeakPolarHBondContact CB-OG 3.5Å; P111-V587 HydrophobicContact CG-CB 3.74Å; P111-V587 HydrophobicContact CG-CG1 4.07Å; P111-V587 HydrophobicContact CG-CG2 3.67Å
112	Q	89.4	Confident	76.2	Confident	22 Å²	22	52 Å²	52	10%	0.103	29%	0.287	C	S	.	.			trans	-65.1	137.1	173.4	-71	-63.5	-25.7	0	0	110.8	P114 S191 E194 L563 V575 E580 S584 H588	Q112-P114 WeakPolarHBondContact O-CD 3.44Å; Q112-S191 PolarHBondContact OE1-OG 3.41Å; Q112-E194 PolarHBondContact NE2-OE1 3.32Å; Q112-L563 HydrophobicContact CB-CD1 4.16Å; Q112-V575 HydrophobicContact CB-CG1 3.86Å; Q112-V575 HydrophobicContact CG-CG1 4.09Å; Q112-E580 WeakPolarHBondContact CG-OE1 2.98Å; Q112-S584 WeakPolarHBondContact O-CB 3.42Å; Q112-S584 PolarHBondContact O-OG 2.72Å; Q112-S584 VanDerWaalsContact O-OG 3.07Å; Q112-H588 PolarHBondContact O-NE2 3.36Å
113	C	91.1	Very high	79.1	Confident	24 Å²	24	46 Å²	46	16%	0.162	25%	0.252	C	S	.	.			trans	-98.4	114.4	-178.7	-179.1	0	0	0	0	107.7	E117 L118 H588	C113-E117 VanDerWaalsContact SG-CB 3.5Å; C113-L118 HydrophobicContact CB-CD2 3.97Å; C113-H588 WeakPolarHBondContact CA-NE2 3.37Å; C113-H588 VanDerWaalsContact CB-CE1 3.49Å; C113-H588 WeakPolarHBondContact CB-CE1 3.48Å; C113-H588 PolarHBondContact SG-CE1 2.88Å
114	P	92.9	Very high	81.7	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.019	24%	0.237	C	C	.	.			trans	-53.5	147.1	173.4	-22.8	31.4	0	0	0	110.8	Q112 G116 E117 L563 E573	Q112-P114 WeakPolarHBondContact O-CD 3.44Å; P114-G116 PolarHBondContact O-N 2.94Å; P114-G116 VanDerWaalsContact O-N 3.13Å; P114-E117 HydrophobicContact CB-CG 4.33Å; P114-E117 HydrophobicContact CG-CG 4.4Å; P114-E117 WeakPolarHBondContact O-CA 3.32Å; P114-E117 WeakPolarHBondContact O-CB 3.47Å; P114-E117 PolarHBondContact O-N 2.85Å; P114-L563 HydrophobicContact CG-CB 4.28Å; P114-L563 HydrophobicContact CG-CD1 4.21Å; P114-E573 WeakPolarHBondContact CA-OE2 3.38Å
115	I	95.2	Very high	84.2	Confident	1 Å²	1	36 Å²	36	1%	0.005	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-51.5	-41.8	-176.8	-171.2	176.7	0	0	0	112.5	E117 L118 Y121 V142 P152 V192 E570 P571 E573	I115-E117 PolarHBondContact O-N 2.86Å; I115-E117 VanDerWaalsContact O-N 3.11Å; I115-L118 HydrophobicContact CG1-CD1 4.24Å; I115-L118 WeakPolarHBondContact O-CB 3.17Å; I115-L118 PolarHBondContact O-N 3.31Å; I115-Y121 HydrophobicContact CD1-CD2 4.03Å; I115-Y121 HydrophobicContact CD1-CE2 3.85Å; I115-Y121 HydrophobicContact CG1-CD2 3.7Å; I115-Y121 HydrophobicContact CG1-CE2 3.91Å; I115-Y121 HydrophobicContact CG1-CG 4.19Å; I115-Y121 WeakPolarHBondContact O-CB 3.46Å; I115-Y121 VanDerWaalsContact O-CG 3.32Å; I115-V142 HydrophobicContact CD1-CG1 3.83Å; I115-V142 HydrophobicContact CG1-CG1 4.14Å; I115-P152 HydrophobicContact CD1-CB 3.84Å; I115-V192 HydrophobicContact CD1-CB 4.19Å; I115-V192 HydrophobicContact CD1-CG1 4.11Å; I115-V192 HydrophobicContact CD1-CG2 4.23Å; I115-V192 HydrophobicContact CG1-CB 4.43Å; I115-V192 HydrophobicContact CG1-CG1 4.46Å; I115-E570 HydrophobicContact CG2-CB 4Å; I115-E570 HydrophobicContact CG2-CG 4.08Å; I115-P571 HydrophobicContact CD1-CG 4.27Å; I115-P571 HydrophobicContact CG2-CG 4.14Å; I115-E573 PolarHBondContact N-OE2 2.72Å
116	G	92.5	Very high	86.3	Confident	4 Å²	4	33.9 Å²	33.9	4%	0.041	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-60.4	-20.7	178.4	0	0	0	0	0	114.3	P114 W339	P114-G116 PolarHBondContact O-N 2.94Å; P114-G116 VanDerWaalsContact O-N 3.13Å; G116-W339 WeakPolarHBondContact O-CZ2 3.19Å
117	E	92.3	Very high	87.9	Confident	13 Å²	13	33.8 Å²	33.8	6%	0.061	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-98.8	-7	-176.4	-62	-65.5	136.8	0	0	113.7	C113 P114 I115 K338 W339 V566 H588 M590	C113-E117 VanDerWaalsContact SG-CB 3.5Å; P114-E117 HydrophobicContact CB-CG 4.33Å; P114-E117 HydrophobicContact CG-CG 4.4Å; P114-E117 WeakPolarHBondContact O-CA 3.32Å; P114-E117 WeakPolarHBondContact O-CB 3.47Å; P114-E117 PolarHBondContact O-N 2.85Å; I115-E117 PolarHBondContact O-N 2.86Å; I115-E117 VanDerWaalsContact O-N 3.11Å; E117-K338 WeakPolarHBondContact OE1-CD 3.36Å; E117-K338 IonicContact OE1-NZ 2.76Å; E117-K338 PolarHBondContact OE1-NZ 3.28Å; E117-K338 IonicContact OE2-NZ 3.02Å; E117-K338 PolarHBondContact OE2-NZ 3.44Å; E117-W339 VanDerWaalsContact OE1-CH2 3.3Å; E117-W339 WeakPolarHBondContact OE1-CH2 3.37Å; E117-V566 HydrophobicContact CG-CG2 4.49Å; E117-V566 VanDerWaalsContact OE1-CG2 3.28Å; E117-V566 WeakPolarHBondContact OE1-CG2 3.5Å; E117-H588 HydrophobicContact CB-CB 4.34Å; E117-H588 HydrophobicContact CG-CB 3.9Å; E117-M590 HydrophobicContact CG-SD 4.45Å
118	L	94.7	Very high	89.4	Confident	15 Å²	15	35.4 Å²	35.4	8%	0.079	19%	0.193	C	C	.	.			trans	-67.7	133.2	178.3	-62.5	170.1	0	0	0	110.2	C113 I115 F120 Y121	C113-L118 HydrophobicContact CB-CD2 3.97Å; I115-L118 HydrophobicContact CG1-CD1 4.24Å; I115-L118 WeakPolarHBondContact O-CB 3.17Å; I115-L118 PolarHBondContact O-N 3.31Å; L118-F120 HydrophobicContact CB-CE1 4.41Å; L118-F120 HydrophobicContact CB-CE2 4.3Å; L118-F120 HydrophobicContact CB-CZ 4.25Å; L118-F120 HydrophobicContact CD1-CE2 3.94Å; L118-F120 HydrophobicContact CD1-CZ 4.1Å; L118-F120 HydrophobicContact CD2-CE1 4.3Å; L118-F120 HydrophobicContact CD2-CZ 3.94Å; L118-F120 HydrophobicContact CG-CZ 4.34Å; L118-F120 PolarHBondContact O-N 3.16Å; L118-F120 VanDerWaalsContact O-N 3.12Å; L118-Y121 PolarHBondContact O-N 3.26Å
119	S	94.5	Very high	90.9	Very high	24 Å²	24	36.9 Å²	36.9	17%	0.168	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.8	178.3	60.3	0	0	0	0	113.1	V224 N225	S119-V224 CarbonylContact O-C 3.5Å; S119-V224 WeakPolarHBondContact O-CA 3.42Å; S119-V224 WeakPolarHBondContact O-CG1 3.28Å; S119-N225 PolarHBondContact O-N 3.41Å
120	F	96.3	Very high	92.3	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.018	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	16.9	179.6	56.1	-94.2	0	0	0	113.2	L118 H122 F140 V142 V196 E222	L118-F120 HydrophobicContact CB-CE1 4.41Å; L118-F120 HydrophobicContact CB-CE2 4.3Å; L118-F120 HydrophobicContact CB-CZ 4.25Å; L118-F120 HydrophobicContact CD1-CE2 3.94Å; L118-F120 HydrophobicContact CD1-CZ 4.1Å; L118-F120 HydrophobicContact CD2-CE1 4.3Å; L118-F120 HydrophobicContact CD2-CZ 3.94Å; L118-F120 HydrophobicContact CG-CZ 4.34Å; L118-F120 PolarHBondContact O-N 3.16Å; L118-F120 VanDerWaalsContact O-N 3.12Å; F120-H122 PolarHBondContact O-CD2 3.34Å; F120-H122 VanDerWaalsContact O-CD2 3.24Å; F120-F140 HydrophobicContact CD2-CE2 4.21Å; F120-F140 HydrophobicContact CE2-CE2 4.28Å; F120-V142 HydrophobicContact CD2-CB 4.27Å; F120-V142 HydrophobicContact CD2-CG2 3.85Å; F120-V142 HydrophobicContact CE2-CB 4.46Å; F120-V142 HydrophobicContact CE2-CG2 3.75Å; F120-V142 PolarHBondContact O-N 2.77Å; F120-V196 HydrophobicContact CE2-CB 4.38Å; F120-V196 HydrophobicContact CE2-CG1 3.8Å; F120-V196 HydrophobicContact CZ-CG1 3.96Å; F120-E222 HydrophobicContact CB-CB 4.08Å; F120-E222 HydrophobicContact CB-CG 4.46Å; F120-E222 HydrophobicContact CD1-CB 3.96Å; F120-E222 VanDerWaalsContact CD1-CD 3.46Å; F120-E222 HydrophobicContact CD1-CG 3.57Å; F120-E222 WeakPolarHBondContact CD1-OE2 3.38Å; F120-E222 HydrophobicContact CE1-CG 3.98Å; F120-E222 HydrophobicContact CG-CB 4.22Å; F120-E222 HydrophobicContact CG-CG 4.07Å
121	Y	96.4	Very high	93	Very high	15 Å²	15	32.2 Å²	32.2	6%	0.059	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.2	166.8	176.8	-116	0	0	0	111.2	I115 L118 G123 V142 C144 N225 E570	I115-Y121 HydrophobicContact CD1-CD2 4.03Å; I115-Y121 HydrophobicContact CD1-CE2 3.85Å; I115-Y121 HydrophobicContact CG1-CD2 3.7Å; I115-Y121 HydrophobicContact CG1-CE2 3.91Å; I115-Y121 HydrophobicContact CG1-CG 4.19Å; I115-Y121 WeakPolarHBondContact O-CB 3.46Å; I115-Y121 VanDerWaalsContact O-CG 3.32Å; L118-Y121 PolarHBondContact O-N 3.26Å; Y121-G123 VanDerWaalsContact CE1-CA 3.48Å; Y121-G123 WeakPolarHBondContact OH-CA 3.44Å; Y121-V142 CarbonylContact C-O 3.52Å; Y121-V142 VanDerWaalsContact CA-O 3.3Å; Y121-V142 WeakPolarHBondContact CA-O 3.47Å; Y121-V142 HydrophobicContact CD2-CG1 4.14Å; Y121-C144 PolarHBondContact OH-SG 3.31Å; Y121-N225 WeakPolarHBondContact O-CB 3.36Å; Y121-N225 PolarHBondContact O-ND2 2.93Å; Y121-E570 WeakPolarHBondContact CE1-OE1 3.24Å
122	H	95.2	Very high	93.3	Very high	14 Å²	14	36.2 Å²	36.2	7%	0.065	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	5.2	-173.6	-70.9	-127.2	0	0	0	113.7	F120 F130 R133 L141 V142 F143 V223	F120-H122 PolarHBondContact O-CD2 3.34Å; F120-H122 VanDerWaalsContact O-CD2 3.24Å; H122-F130 HydrophobicContact CB-CD1 3.9Å; H122-F130 HydrophobicContact CB-CE1 3.57Å; H122-F130 HydrophobicContact CB-CE2 4.4Å; H122-F130 HydrophobicContact CB-CG 4.47Å; H122-F130 HydrophobicContact CB-CZ 3.84Å; H122-F130 AromaticContact ND1-CD1 3.99Å; H122-R133 PolarHBondContact CE1-NH1 3.04Å; H122-R133 PolarHBondContact CE1-NH2 3.49Å; H122-R133 PolarHBondContact ND1-NH1 3.17Å; H122-L141 WeakPolarHBondContact NE2-CB 3.41Å; H122-V142 PolarHBondContact N-O 3.05Å; H122-F143 HydrophobicContact CB-CB 4.39Å; H122-V223 PolarHBondContact NE2-O 3.3Å
123	G	93.2	Very high	93.5	Very high	6 Å²	6	38.4 Å²	38.4	6%	0.062	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.5	-152.7	-179.3	0	0	0	0	0	112.7	Y121 F143 C144	Y121-G123 VanDerWaalsContact CE1-CA 3.48Å; Y121-G123 WeakPolarHBondContact OH-CA 3.44Å; G123-F143 WeakPolarHBondContact O-CA 3.46Å; G123-F143 WeakPolarHBondContact O-CB 3.39Å; G123-C144 PolarHBondContact O-N 3.19Å
124	L	92.9	Very high	93.7	Very high	75 Å²	75	38 Å²	38	39%	0.393	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.3	174.6	-67.3	160.5	0	0	0	110.2	C144 C150 A569	L124-C144 HydrophobicContact CD2-CB 3.39Å; L124-C144 HydrophobicContact CG-CB 4.24Å; L124-C150 HydrophobicContact CD2-CB 4Å; L124-A569 HydrophobicContact CD1-CB 4.05Å; L124-A569 HydrophobicContact CD2-CB 3.91Å
125	G	93	Very high	93.8	Very high	14 Å²	14	42.7 Å²	42.7	14%	0.144	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.1	178.4	172.3	0	0	0	0	0	113.7	F143 C144 V146	G125-F143 WeakPolarHBondContact O-CD2 3.09Å; G125-F143 WeakPolarHBondContact O-CE2 3.49Å; G125-C144 PolarHBondContact N-O 2.85Å; G125-V146 PolarHBondContact O-N 3.34Å
126	S	93.8	Very high	93.9	Very high	37 Å²	37	48.6 Å²	48.6	26%	0.259	27%	0.265	S	S	.	.			trans	-89.1	156.2	177.1	66.2	0	0	0	0	111.8	N128 A129 F130 E147	S126-N128 VanDerWaalsContact C-N 3.25Å; S126-N128 PolarHBondContact O-N 3.43Å; S126-A129 WeakPolarHBondContact O-CB 3.49Å; S126-A129 PolarHBondContact O-N 2.8Å; S126-A129 VanDerWaalsContact O-N 3.12Å; S126-A129 PolarHBondContact OG-N 2.81Å; S126-F130 WeakPolarHBondContact O-CD2 3.19Å; S126-F130 PolarHBondContact O-N 3.19Å; S126-E147 WeakPolarHBondContact CB-OE1 3.06Å
127	R	91.8	Very high	94	Very high	68 Å²	68	50.3 Å²	50.3	26%	0.257	28%	0.28	S	S	.	.	H	α-helix	trans	-57.4	-41.6	178.7	-56.8	171.7	-165.5	156.1	31.5	111.6	A129 F130 R131 F143 D145 E147 H148 V166	R127-A129 VanDerWaalsContact C-N 3.31Å; R127-A129 PolarHBondContact O-N 2.87Å; R127-F130 PolarHBondContact O-N 3.18Å; R127-R131 WeakPolarHBondContact O-CB 3.4Å; R127-R131 PolarHBondContact O-N 2.98Å; R127-F143 HydrophobicContact CG-CE2 4.44Å; R127-F143 HydrophobicContact CG-CZ 4.03Å; R127-D145 IonicContact CZ-OD2 2.72Å; R127-D145 IonicContact NE-OD2 4Å; R127-D145 PolarHBondContact NE-OD2 2.93Å; R127-D145 IonicContact NH2-OD2 3.77Å; R127-D145 PolarHBondContact NH2-OD2 3.25Å; R127-E147 VanDerWaalsContact CD-OE2 3.24Å; R127-E147 WeakPolarHBondContact CD-OE2 3.13Å; R127-E147 IonicContact CZ-OE2 3.19Å; R127-E147 VanDerWaalsContact CZ-OE2 3.24Å; R127-E147 IonicContact NE-OE2 3.76Å; R127-E147 PolarHBondContact NE-OE2 2.97Å; R127-E147 IonicContact NH1-OE2 2.87Å; R127-E147 IonicContact NH2-OE2 3.76Å; R127-E147 PolarHBondContact NH2-OE2 3.13Å; R127-H148 PolarHBondContact NH2-CE1 2.9Å; R127-H148 PolarHBondContact NH2-ND1 3.4Å; R127-H148 PolarHBondContact NH2-NE2 2.88Å; R127-V166 HydrophobicContact CB-CG2 4.47Å; R127-V166 HydrophobicContact CG-CG1 4.45Å; R127-V166 HydrophobicContact CG-CG2 4.04Å
128	N	91.8	Very high	94.2	Very high	118 Å²	118	49.9 Å²	49.9	63%	0.631	28%	0.278	S	S	*	.	H	α-helix	trans	-63.8	-35.7	-179.8	-72.7	-32.1	0	0	0	112.4	S126 F130	S126-N128 VanDerWaalsContact C-N 3.25Å; S126-N128 PolarHBondContact O-N 3.43Å; N128-F130 VanDerWaalsContact C-N 3.31Å; N128-F130 PolarHBondContact O-N 3.27Å
129	A	92.1	Very high	94.4	Very high	63 Å²	63	49.2 Å²	49.2	52%	0.521	28%	0.275	S	S	.	.	H	α-helix	trans	-64.8	-36.3	177.6	0	0	0	0	0	112.1	S126 R127	S126-A129 WeakPolarHBondContact O-CB 3.49Å; S126-A129 PolarHBondContact O-N 2.8Å; S126-A129 VanDerWaalsContact O-N 3.12Å; S126-A129 PolarHBondContact OG-N 2.81Å; R127-A129 VanDerWaalsContact C-N 3.31Å; R127-A129 PolarHBondContact O-N 2.87Å
130	F	95	Very high	94.5	Very high	24 Å²	24	48.1 Å²	48.1	11%	0.105	27%	0.267	C	S	.	.	H	α-helix	trans	-93.5	-22.2	-177.2	-59.3	-51.5	0	0	0	114.2	H122 S126 R127 N128 A132 R133 L141 F143 L155	H122-F130 HydrophobicContact CB-CD1 3.9Å; H122-F130 HydrophobicContact CB-CE1 3.57Å; H122-F130 HydrophobicContact CB-CE2 4.4Å; H122-F130 HydrophobicContact CB-CG 4.47Å; H122-F130 HydrophobicContact CB-CZ 3.84Å; H122-F130 AromaticContact ND1-CD1 3.99Å; S126-F130 WeakPolarHBondContact O-CD2 3.19Å; S126-F130 PolarHBondContact O-N 3.19Å; R127-F130 PolarHBondContact O-N 3.18Å; N128-F130 VanDerWaalsContact C-N 3.31Å; N128-F130 PolarHBondContact O-N 3.27Å; F130-A132 VanDerWaalsContact C-N 3.25Å; F130-A132 PolarHBondContact O-N 3.43Å; F130-R133 VanDerWaalsContact O-CB 3.32Å; F130-R133 WeakPolarHBondContact O-CB 3.44Å; F130-R133 PolarHBondContact O-N 3.31Å; F130-L141 HydrophobicContact CB-CD1 3.99Å; F130-L141 HydrophobicContact CB-CD2 4.12Å; F130-L141 HydrophobicContact CG-CD1 4.33Å; F130-F143 HydrophobicContact CD2-CB 3.95Å; F130-F143 HydrophobicContact CD2-CD1 4.45Å; F130-F143 AromaticContact CD2-CD2 3.53Å; F130-F143 HydrophobicContact CD2-CD2 3.53Å; F130-F143 HydrophobicContact CD2-CE2 4.12Å; F130-F143 AromaticContact CD2-CG 3.7Å; F130-F143 HydrophobicContact CD2-CG 3.7Å; F130-F143 HydrophobicContact CE2-CB 3.69Å; F130-F143 AromaticContact CE2-CD2 3.49Å; F130-F143 HydrophobicContact CE2-CD2 3.49Å; F130-F143 VanDerWaalsContact CE2-CD2 3.49Å; F130-F143 HydrophobicContact CE2-CE2 4.37Å; F130-F143 AromaticContact CE2-CG 3.79Å; F130-F143 HydrophobicContact CE2-CG 3.79Å; F130-F143 HydrophobicContact CZ-CB 4.46Å; F130-L155 HydrophobicContact CB-CD2 4.09Å
131	R	93.7	Very high	94.6	Very high	127 Å²	127	47.9 Å²	47.9	48%	0.479	27%	0.266	S	S	.	.	H	α-helix	trans	-51	-42.8	178.6	176.6	173.2	-177.6	179	1.7	113.1	R127 R133 L134 V164	R127-R131 WeakPolarHBondContact O-CB 3.4Å; R127-R131 PolarHBondContact O-N 2.98Å; R131-R133 PolarHBondContact O-N 3.21Å; R131-L134 PolarHBondContact O-N 2.83Å; R131-V164 HydrophobicContact CG-CG2 4Å
132	A	90.8	Very high	94.7	Very high	89 Å²	89	47.2 Å²	47.2	74%	0.736	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-9.3	-177.3	0	0	0	0	0	114.1	F130	F130-A132 VanDerWaalsContact C-N 3.25Å; F130-A132 PolarHBondContact O-N 3.43Å
133	R	93.8	Very high	94.7	Very high	69 Å²	69	46.5 Å²	46.5	26%	0.26	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-13.5	-176	-55	-165.1	61.2	-166.9	-19.7	113.9	H122 F130 R131 L141 V223 V224 P226	H122-R133 PolarHBondContact CE1-NH1 3.04Å; H122-R133 PolarHBondContact CE1-NH2 3.49Å; H122-R133 PolarHBondContact ND1-NH1 3.17Å; F130-R133 VanDerWaalsContact O-CB 3.32Å; F130-R133 WeakPolarHBondContact O-CB 3.44Å; F130-R133 PolarHBondContact O-N 3.31Å; R131-R133 PolarHBondContact O-N 3.21Å; R133-L141 HydrophobicContact CB-CD2 4.39Å; R133-V223 HydrophobicContact CB-CG1 4.18Å; R133-V224 PolarHBondContact NH2-O 2.86Å; R133-P226 VanDerWaalsContact CZ-CD 3.41Å
134	L	96.7	Very high	94.9	Very high	14 Å²	14	46.2 Å²	46.2	7%	0.073	26%	0.257	C	S	.	.			trans	-87	119.9	173.6	-46.1	179.8	0	0	0	108	R131 D139 L141 L155 L157 V164 V223	R131-L134 PolarHBondContact O-N 2.83Å; L134-D139 HydrophobicContact CB-CB 4.07Å; L134-D139 HydrophobicContact CD2-CB 4.05Å; L134-L141 HydrophobicContact CD2-CD2 3.75Å; L134-L141 HydrophobicContact CD2-CG 4.1Å; L134-L155 HydrophobicContact CD1-CB 4.15Å; L134-L155 HydrophobicContact CD1-CD2 4.23Å; L134-L157 HydrophobicContact CB-CB 3.81Å; L134-L157 HydrophobicContact CB-CD2 4.13Å; L134-L157 HydrophobicContact CB-CG 4.5Å; L134-L157 HydrophobicContact CD1-CB 4.09Å; L134-V164 HydrophobicContact CD1-CB 4.44Å; L134-V164 HydrophobicContact CD1-CG1 3.66Å; L134-V164 HydrophobicContact CD1-CG2 3.91Å; L134-V223 HydrophobicContact CD2-CB 4.49Å; L134-V223 HydrophobicContact CD2-CG2 3.92Å
135	V	94.6	Very high	95	Very high	103 Å²	103	42.7 Å²	42.7	62%	0.624	24%	0.239	S	C	*	.			trans	-120.1	-34.5	-171.7	-178.3	0	0	0	0	111.8	D139	V135-D139 PolarHBondContact N-OD2 3.47Å
136	K	96	Very high	95	Very high	124 Å²	124	45.6 Å²	45.6	54%	0.539	25%	0.254	S	S	.	.	S	Bend	trans	-116.8	151.3	-179.6	-55.5	-167.1	-164.3	-176.6	0	111.6	G138 D139 L157 R221	K136-G138 PolarHBondContact O-N 2.84Å; K136-D139 PolarHBondContact N-OD2 3.27Å; K136-D139 WeakPolarHBondContact O-CB 3.21Å; K136-D139 PolarHBondContact O-N 3.28Å; K136-L157 WeakPolarHBondContact O-CD2 3.41Å; K136-R221 VanDerWaalsContact CD-NH1 3.34Å; K136-R221 VanDerWaalsContact CG-NH2 3.3Å
137	A	95.7	Very high	95	Very high	41 Å²	41	48.1 Å²	48.1	34%	0.339	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	130.4	173.4	0	0	0	0	0	111.8	D139 N158 C161	A137-D139 PolarHBondContact O-N 3.27Å; A137-N158 WeakPolarHBondContact CA-O 3.23Å; A137-N158 WeakPolarHBondContact CB-O 3.34Å; A137-C161 PolarHBondContact N-SG 3.12Å
138	G	96.1	Very high	95	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.031	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	9.2	-177.8	0	0	0	0	0	115.1	K136 L157 I218 V220 R221	K136-G138 PolarHBondContact O-N 2.84Å; G138-L157 WeakPolarHBondContact CA-O 3.39Å; G138-L157 PolarHBondContact N-O 3.3Å; G138-I218 WeakPolarHBondContact CA-O 3.36Å; G138-V220 PolarHBondContact O-N 2.86Å; G138-R221 PolarHBondContact O-N 3.21Å
139	D	98	Very high	95	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.011	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	132.6	162.4	-80.4	-4.2	0	0	0	109.6	L134 V135 K136 A137 V156 L157 R221 V223	L134-D139 HydrophobicContact CB-CB 4.07Å; L134-D139 HydrophobicContact CD2-CB 4.05Å; V135-D139 PolarHBondContact N-OD2 3.47Å; K136-D139 PolarHBondContact N-OD2 3.27Å; K136-D139 WeakPolarHBondContact O-CB 3.21Å; K136-D139 PolarHBondContact O-N 3.28Å; A137-D139 PolarHBondContact O-N 3.27Å; D139-V156 WeakPolarHBondContact O-CA 3.36Å; D139-L157 HydrophobicContact CB-CB 4.45Å; D139-L157 PolarHBondContact O-N 2.87Å; D139-R221 WeakPolarHBondContact CA-O 3.47Å; D139-R221 IonicContact OD1-CZ 2.85Å; D139-R221 IonicContact OD1-NE 2.98Å; D139-R221 PolarHBondContact OD1-NE 3.31Å; D139-R221 IonicContact OD1-NH2 3.61Å; D139-R221 PolarHBondContact OD1-NH2 3.25Å; D139-R221 IonicContact OD2-CZ 3.68Å; D139-R221 IonicContact OD2-NH2 3.55Å; D139-R221 PolarHBondContact OD2-NH2 3.48Å; D139-V223 HydrophobicContact CB-CG2 3.68Å
140	F	98.1	Very high	95	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	156	177.2	71.9	-91.4	0	0	0	113.4	F120 L154 L155 V156 V196 K200 L219 R221 E222 V223	F120-F140 HydrophobicContact CD2-CE2 4.21Å; F120-F140 HydrophobicContact CE2-CE2 4.28Å; F140-L154 HydrophobicContact CB-CD1 4.09Å; F140-L154 HydrophobicContact CD2-CD1 3.76Å; F140-L154 HydrophobicContact CG-CD1 4.29Å; F140-L155 CarbonylContact C-O 3.57Å; F140-L155 WeakPolarHBondContact CA-O 3.24Å; F140-L155 VanDerWaalsContact CB-O 3.28Å; F140-L155 WeakPolarHBondContact CB-O 3.34Å; F140-V156 HydrophobicContact CB-CB 4.44Å; F140-V156 HydrophobicContact CB-CG1 4.33Å; F140-V156 HydrophobicContact CB-CG2 3.98Å; F140-V196 HydrophobicContact CD2-CG1 4.2Å; F140-V196 HydrophobicContact CE2-CG1 3.49Å; F140-V196 VanDerWaalsContact CE2-CG1 3.49Å; F140-V196 HydrophobicContact CZ-CG1 4.13Å; F140-K200 HydrophobicContact CE1-CD 4.06Å; F140-K200 HydrophobicContact CZ-CD 3.9Å; F140-L219 HydrophobicContact CD1-CB 3.74Å; F140-L219 HydrophobicContact CD1-CD2 4.45Å; F140-L219 HydrophobicContact CD1-CG 4.07Å; F140-L219 HydrophobicContact CD2-CD2 4.29Å; F140-L219 HydrophobicContact CE1-CB 3.79Å; F140-L219 HydrophobicContact CE1-CD2 4.47Å; F140-L219 HydrophobicContact CE1-CG 4.39Å; F140-L219 HydrophobicContact CE2-CD2 4.32Å; F140-L219 HydrophobicContact CG-CB 4.34Å; F140-L219 HydrophobicContact CG-CD2 4.35Å; F140-L219 HydrophobicContact CG-CG 4.15Å; F140-L219 HydrophobicContact CZ-CB 4.42Å; F140-L219 HydrophobicContact CZ-CD2 4.37Å; F140-R221 WeakPolarHBondContact CD1-O 3.3Å; F140-R221 VanDerWaalsContact CE1-C 3.42Å; F140-R221 PolarHBondContact N-O 2.71Å; F140-E222 HydrophobicContact CE1-CG 3.93Å; F140-E222 HydrophobicContact CE2-CB 4.46Å; F140-E222 HydrophobicContact CE2-CG 3.64Å; F140-E222 HydrophobicContact CZ-CB 4.17Å; F140-E222 HydrophobicContact CZ-CG 3.19Å; F140-V223 WeakPolarHBondContact O-CB 3.16Å; F140-V223 PolarHBondContact O-N 2.83Å
141	L	98.1	Very high	95	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	161.4	172.8	60.1	86.8	0	0	0	110.9	H122 F130 R133 L134 F143 L155 V223	H122-L141 WeakPolarHBondContact NE2-CB 3.41Å; F130-L141 HydrophobicContact CB-CD1 3.99Å; F130-L141 HydrophobicContact CB-CD2 4.12Å; F130-L141 HydrophobicContact CG-CD1 4.33Å; R133-L141 HydrophobicContact CB-CD2 4.39Å; L134-L141 HydrophobicContact CD2-CD2 3.75Å; L134-L141 HydrophobicContact CD2-CG 4.1Å; L141-F143 HydrophobicContact CD1-CB 4.48Å; L141-F143 HydrophobicContact CD1-CD1 4.06Å; L141-L155 HydrophobicContact CD1-CB 3.92Å; L141-L155 HydrophobicContact CG-CB 4.03Å; L141-L155 PolarHBondContact N-O 3.21Å; L141-L155 VanDerWaalsContact N-O 3.07Å; L141-L155 PolarHBondContact O-N 3.43Å; L141-V223 HydrophobicContact CB-CB 4.32Å; L141-V223 HydrophobicContact CD2-CB 4.43Å; L141-V223 HydrophobicContact CD2-CG1 4.35Å
142	V	97.7	Very high	95.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.8	176	179.9	0	0	0	0	109.8	I115 F120 Y121 H122 S153 L154 V192 V196	I115-V142 HydrophobicContact CD1-CG1 3.83Å; I115-V142 HydrophobicContact CG1-CG1 4.14Å; F120-V142 HydrophobicContact CD2-CB 4.27Å; F120-V142 HydrophobicContact CD2-CG2 3.85Å; F120-V142 HydrophobicContact CE2-CB 4.46Å; F120-V142 HydrophobicContact CE2-CG2 3.75Å; F120-V142 PolarHBondContact O-N 2.77Å; Y121-V142 CarbonylContact C-O 3.52Å; Y121-V142 VanDerWaalsContact CA-O 3.3Å; Y121-V142 WeakPolarHBondContact CA-O 3.47Å; Y121-V142 HydrophobicContact CD2-CG1 4.14Å; H122-V142 PolarHBondContact N-O 3.05Å; V142-S153 WeakPolarHBondContact CA-O 3.16Å; V142-L154 HydrophobicContact CG2-CD1 3.99Å; V142-V192 HydrophobicContact CG1-CG1 3.9Å; V142-V196 HydrophobicContact CG2-CG2 3.84Å
143	F	96.7	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	165.1	177.9	72.4	-61.3	0	0	0	109.5	H122 G123 G125 R127 F130 L141 D145 S153 L155	H122-F143 HydrophobicContact CB-CB 4.39Å; G123-F143 WeakPolarHBondContact O-CA 3.46Å; G123-F143 WeakPolarHBondContact O-CB 3.39Å; G125-F143 WeakPolarHBondContact O-CD2 3.09Å; G125-F143 WeakPolarHBondContact O-CE2 3.49Å; R127-F143 HydrophobicContact CG-CE2 4.44Å; R127-F143 HydrophobicContact CG-CZ 4.03Å; F130-F143 HydrophobicContact CD2-CB 3.95Å; F130-F143 HydrophobicContact CD2-CD1 4.45Å; F130-F143 AromaticContact CD2-CD2 3.53Å; F130-F143 HydrophobicContact CD2-CD2 3.53Å; F130-F143 HydrophobicContact CD2-CE2 4.12Å; F130-F143 AromaticContact CD2-CG 3.7Å; F130-F143 HydrophobicContact CD2-CG 3.7Å; F130-F143 HydrophobicContact CE2-CB 3.69Å; F130-F143 AromaticContact CE2-CD2 3.49Å; F130-F143 HydrophobicContact CE2-CD2 3.49Å; F130-F143 VanDerWaalsContact CE2-CD2 3.49Å; F130-F143 HydrophobicContact CE2-CE2 4.37Å; F130-F143 AromaticContact CE2-CG 3.79Å; F130-F143 HydrophobicContact CE2-CG 3.79Å; F130-F143 HydrophobicContact CZ-CB 4.46Å; L141-F143 HydrophobicContact CD1-CB 4.48Å; L141-F143 HydrophobicContact CD1-CD1 4.06Å; F143-D145 HydrophobicContact CD2-CB 4.21Å; F143-D145 HydrophobicContact CE1-CB 4.47Å; F143-D145 VanDerWaalsContact CE2-CA 3.43Å; F143-D145 HydrophobicContact CE2-CB 3.42Å; F143-D145 VanDerWaalsContact CE2-CB 3.42Å; F143-D145 HydrophobicContact CZ-CB 3.56Å; F143-S153 VanDerWaalsContact CD1-O 3.27Å; F143-S153 WeakPolarHBondContact CD1-O 3.22Å; F143-S153 PolarHBondContact N-O 3.18Å; F143-S153 VanDerWaalsContact N-O 3.1Å; F143-S153 PolarHBondContact O-N 2.93Å; F143-L155 HydrophobicContact CD1-CD1 3.8Å; F143-L155 HydrophobicContact CE1-CD1 2.99Å; F143-L155 HydrophobicContact CE1-CG 4.35Å; F143-L155 HydrophobicContact CE2-CD1 4.45Å; F143-L155 HydrophobicContact CZ-CD1 3.37Å
144	C	96.1	Very high	95.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	114.2	168.6	-74.9	0	0	0	0	108.3	Y121 G123 L124 G125 V146 C150	Y121-C144 PolarHBondContact OH-SG 3.31Å; G123-C144 PolarHBondContact O-N 3.19Å; L124-C144 HydrophobicContact CD2-CB 3.39Å; L124-C144 HydrophobicContact CG-CB 4.24Å; G125-C144 PolarHBondContact N-O 2.85Å; C144-V146 PolarHBondContact O-N 3.05Å; C144-C150 HydrophobicContact CB-CB 4.49Å; C144-C150 WeakPolarHBondContact CB-O 3.46Å
145	D	95.1	Very high	95.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	110	-169.8	-170.5	-4.2	0	0	0	111.8	R127 F143 E147 H148 C150 R151 S153	R127-D145 IonicContact CZ-OD2 2.72Å; R127-D145 IonicContact NE-OD2 4Å; R127-D145 PolarHBondContact NE-OD2 2.93Å; R127-D145 IonicContact NH2-OD2 3.77Å; R127-D145 PolarHBondContact NH2-OD2 3.25Å; F143-D145 HydrophobicContact CD2-CB 4.21Å; F143-D145 HydrophobicContact CE1-CB 4.47Å; F143-D145 VanDerWaalsContact CE2-CA 3.43Å; F143-D145 HydrophobicContact CE2-CB 3.42Å; F143-D145 VanDerWaalsContact CE2-CB 3.42Å; F143-D145 HydrophobicContact CZ-CB 3.56Å; D145-E147 PolarHBondContact O-N 3.25Å; D145-E147 VanDerWaalsContact O-N 3.17Å; D145-E147 WeakPolarHBondContact OD1-CB 3.21Å; D145-E147 PolarHBondContact OD1-N 2.95Å; D145-H148 HydrophobicContact CB-CB 4.21Å; D145-H148 CarbonylContact O-C 3.51Å; D145-H148 PolarHBondContact O-N 3.17Å; D145-H148 IonicContact OD2-CE1 3.54Å; D145-H148 IonicContact OD2-CG 2.78Å; D145-H148 IonicContact OD2-ND1 3.46Å; D145-H148 PolarHBondContact OD2-ND1 3.13Å; D145-C150 WeakPolarHBondContact O-CA 3.33Å; D145-C150 PolarHBondContact O-N 2.69Å; D145-R151 PolarHBondContact N-O 3.03Å; D145-S153 WeakPolarHBondContact CB-OG 3.28Å
146	V	93.4	Very high	95.7	Very high	76 Å²	76	32.8 Å²	32.8	46%	0.461	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-63.6	-19.9	178.2	-58.1	0	0	0	0	112.9	G125 C144 H148	G125-V146 PolarHBondContact O-N 3.34Å; C144-V146 PolarHBondContact O-N 3.05Å; V146-H148 VanDerWaalsContact C-N 3.32Å
147	E	93.3	Very high	95.7	Very high	90 Å²	90	27.3 Å²	27.3	42%	0.421	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-84.6	-8.1	176.3	-58.5	171	-171.9	0	0	112.5	S126 R127 D145	S126-E147 WeakPolarHBondContact CB-OE1 3.06Å; R127-E147 VanDerWaalsContact CD-OE2 3.24Å; R127-E147 WeakPolarHBondContact CD-OE2 3.13Å; R127-E147 IonicContact CZ-OE2 3.19Å; R127-E147 VanDerWaalsContact CZ-OE2 3.24Å; R127-E147 IonicContact NE-OE2 3.76Å; R127-E147 PolarHBondContact NE-OE2 2.97Å; R127-E147 IonicContact NH1-OE2 2.87Å; R127-E147 IonicContact NH2-OE2 3.76Å; R127-E147 PolarHBondContact NH2-OE2 3.13Å; D145-E147 PolarHBondContact O-N 3.25Å; D145-E147 VanDerWaalsContact O-N 3.17Å; D145-E147 WeakPolarHBondContact OD1-CB 3.21Å; D145-E147 PolarHBondContact OD1-N 2.95Å
148	H	91.7	Very high	95.6	Very high	53 Å²	53	25.4 Å²	25.4	25%	0.245	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-129.8	52.1	176.4	-64.3	126	0	0	0	110.7	R127 D145 V146 C150 R151 V168	R127-H148 PolarHBondContact NH2-CE1 2.9Å; R127-H148 PolarHBondContact NH2-ND1 3.4Å; R127-H148 PolarHBondContact NH2-NE2 2.88Å; D145-H148 HydrophobicContact CB-CB 4.21Å; D145-H148 CarbonylContact O-C 3.51Å; D145-H148 PolarHBondContact O-N 3.17Å; D145-H148 IonicContact OD2-CE1 3.54Å; D145-H148 IonicContact OD2-CG 2.78Å; D145-H148 IonicContact OD2-ND1 3.46Å; D145-H148 PolarHBondContact OD2-ND1 3.13Å; V146-H148 VanDerWaalsContact C-N 3.32Å; H148-C150 PolarHBondContact O-N 3.38Å; H148-C150 VanDerWaalsContact O-N 3.12Å; H148-R151 VanDerWaalsContact O-CB 3.32Å; H148-R151 WeakPolarHBondContact O-CB 3.37Å; H148-R151 VanDerWaalsContact O-CG 3.3Å; H148-R151 WeakPolarHBondContact O-CG 3.42Å; H148-R151 PolarHBondContact O-N 3.18Å; H148-V168 WeakPolarHBondContact CE1-CG2 3.32Å; H148-V168 WeakPolarHBondContact ND1-CG2 3.16Å
149	D	91.7	Very high	95.3	Very high	155 Å²	155	32.2 Å²	32.2	83%	0.829	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	35.8	176.6	-57.8	-40.7	0	0	0	114.5	R151	D149-R151 PolarHBondContact O-N 3.43Å
150	C	92.7	Very high	94.9	Very high	41 Å²	41	35 Å²	35	28%	0.277	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	18.3	-176.3	-59.6	0	0	0	0	114.9	L124 C144 D145 H148	L124-C150 HydrophobicContact CD2-CB 4Å; C144-C150 HydrophobicContact CB-CB 4.49Å; C144-C150 WeakPolarHBondContact CB-O 3.46Å; D145-C150 WeakPolarHBondContact O-CA 3.33Å; D145-C150 PolarHBondContact O-N 2.69Å; H148-C150 PolarHBondContact O-N 3.38Å; H148-C150 VanDerWaalsContact O-N 3.12Å
151	R	94.4	Very high	94.6	Very high	94 Å²	94	38 Å²	38	36%	0.355	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	141.2	176.6	-70.6	-161.4	-61.2	158	-1.1	111.8	D145 H148 D149 S153 V168 D170	D145-R151 PolarHBondContact N-O 3.03Å; H148-R151 VanDerWaalsContact O-CB 3.32Å; H148-R151 WeakPolarHBondContact O-CB 3.37Å; H148-R151 VanDerWaalsContact O-CG 3.3Å; H148-R151 WeakPolarHBondContact O-CG 3.42Å; H148-R151 PolarHBondContact O-N 3.18Å; D149-R151 PolarHBondContact O-N 3.43Å; R151-S153 PolarHBondContact O-N 3.11Å; R151-S153 PolarHBondContact O-OG 2.75Å; R151-V168 HydrophobicContact CB-CG1 3.7Å; R151-D170 IonicContact CZ-OD1 3.99Å; R151-D170 IonicContact NH1-OD1 3.29Å; R151-D170 PolarHBondContact NH1-OD1 2.94Å; R151-D170 IonicContact NH2-OD1 2.7Å
152	P	96.5	Very high	94.2	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.052	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	131.4	172.2	23.8	-33.1	0	0	0	110	I115 F169 F177 V192 P571	I115-P152 HydrophobicContact CD1-CB 3.84Å; P152-F169 HydrophobicContact CB-CB 4.48Å; P152-F169 HydrophobicContact CB-CD2 4.21Å; P152-F169 HydrophobicContact CG-CB 4.06Å; P152-F169 WeakPolarHBondContact O-CD2 3.28Å; P152-F169 PolarHBondContact O-N 3.36Å; P152-F177 HydrophobicContact CG-CD1 4.4Å; P152-F177 HydrophobicContact CG-CE1 4.29Å; P152-V192 HydrophobicContact CB-CG1 4.44Å; P152-V192 HydrophobicContact CB-CG2 3.8Å; P152-V192 HydrophobicContact CG-CG2 4Å; P152-P571 HydrophobicContact CB-CG 4.22Å; P152-P571 HydrophobicContact CG-CB 4.16Å; P152-P571 HydrophobicContact CG-CG 3.87Å
153	S	96.9	Very high	93.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	142.8	-175.3	-66.5	0	0	0	0	110.9	V142 F143 D145 R151 F167	V142-S153 WeakPolarHBondContact CA-O 3.16Å; F143-S153 VanDerWaalsContact CD1-O 3.27Å; F143-S153 WeakPolarHBondContact CD1-O 3.22Å; F143-S153 PolarHBondContact N-O 3.18Å; F143-S153 VanDerWaalsContact N-O 3.1Å; F143-S153 PolarHBondContact O-N 2.93Å; D145-S153 WeakPolarHBondContact CB-OG 3.28Å; R151-S153 PolarHBondContact O-N 3.11Å; R151-S153 PolarHBondContact O-OG 2.75Å; S153-F167 CarbonylContact C-O 3.51Å; S153-F167 WeakPolarHBondContact CA-O 3.31Å
154	L	97.4	Very high	93.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119.9	176.4	179.2	72.8	0	0	0	109.6	F140 V142 V156 V166 F167 F169 I179 V196 L206 L219	F140-L154 HydrophobicContact CB-CD1 4.09Å; F140-L154 HydrophobicContact CD2-CD1 3.76Å; F140-L154 HydrophobicContact CG-CD1 4.29Å; V142-L154 HydrophobicContact CG2-CD1 3.99Å; L154-V156 HydrophobicContact CD1-CG2 4.35Å; L154-V156 HydrophobicContact CD2-CG2 3.69Å; L154-V156 HydrophobicContact CG-CG2 3.64Å; L154-V166 WeakPolarHBondContact O-CA 3.41Å; L154-F167 HydrophobicContact CB-CB 4.31Å; L154-F167 PolarHBondContact N-O 3.35Å; L154-F167 PolarHBondContact O-N 3.42Å; L154-F169 HydrophobicContact CB-CE2 3.83Å; L154-F169 HydrophobicContact CB-CZ 4.26Å; L154-I179 HydrophobicContact CB-CD1 4.33Å; L154-I179 HydrophobicContact CD2-CD1 3.91Å; L154-V196 HydrophobicContact CD1-CG2 4.29Å; L154-L206 HydrophobicContact CD2-CD1 3.81Å; L154-L219 HydrophobicContact CD1-CD2 4.33Å; L154-L219 HydrophobicContact CD2-CD1 4.03Å; L154-L219 HydrophobicContact CD2-CD2 3.89Å; L154-L219 HydrophobicContact CD2-CG 4.15Å
155	L	97.1	Very high	93.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.9	168.7	-111.7	81.4	0	0	0	109.2	F130 L134 F140 L141 F143 V164 G165 V166	F130-L155 HydrophobicContact CB-CD2 4.09Å; L134-L155 HydrophobicContact CD1-CB 4.15Å; L134-L155 HydrophobicContact CD1-CD2 4.23Å; F140-L155 CarbonylContact C-O 3.57Å; F140-L155 WeakPolarHBondContact CA-O 3.24Å; F140-L155 VanDerWaalsContact CB-O 3.28Å; F140-L155 WeakPolarHBondContact CB-O 3.34Å; L141-L155 HydrophobicContact CD1-CB 3.92Å; L141-L155 HydrophobicContact CG-CB 4.03Å; L141-L155 PolarHBondContact N-O 3.21Å; L141-L155 VanDerWaalsContact N-O 3.07Å; L141-L155 PolarHBondContact O-N 3.43Å; F143-L155 HydrophobicContact CD1-CD1 3.8Å; F143-L155 HydrophobicContact CE1-CD1 2.99Å; F143-L155 HydrophobicContact CE1-CG 4.35Å; F143-L155 HydrophobicContact CE2-CD1 4.45Å; F143-L155 HydrophobicContact CZ-CD1 3.37Å; L155-V164 HydrophobicContact CD2-CG1 3.88Å; L155-V164 HydrophobicContact CG-CG1 3.83Å; L155-G165 WeakPolarHBondContact CA-O 3.27Å; L155-V166 HydrophobicContact CD1-CG1 4.38Å; L155-V166 HydrophobicContact CD1-CG2 3.84Å; L155-V166 HydrophobicContact CG-CG2 4.21Å
156	V	97.4	Very high	93.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.7	177.1	-166.8	0	0	0	0	111	D139 F140 L154 V164 G165 F167 Y217	D139-V156 WeakPolarHBondContact O-CA 3.36Å; F140-V156 HydrophobicContact CB-CB 4.44Å; F140-V156 HydrophobicContact CB-CG1 4.33Å; F140-V156 HydrophobicContact CB-CG2 3.98Å; L154-V156 HydrophobicContact CD1-CG2 4.35Å; L154-V156 HydrophobicContact CD2-CG2 3.69Å; L154-V156 HydrophobicContact CG-CG2 3.64Å; V156-V164 CarbonylContact O-C 3.54Å; V156-V164 WeakPolarHBondContact O-CA 3.42Å; V156-G165 PolarHBondContact N-O 2.96Å; V156-G165 PolarHBondContact O-N 3.45Å; V156-F167 HydrophobicContact CB-CE2 4.24Å; V156-F167 HydrophobicContact CG2-CD2 4.05Å; V156-F167 HydrophobicContact CG2-CE2 4.03Å; V156-Y217 HydrophobicContact CB-CD1 4.04Å; V156-Y217 HydrophobicContact CG1-CD1 4.24Å; V156-Y217 VanDerWaalsContact O-CD1 3.3Å; V156-Y217 WeakPolarHBondContact O-CD1 3.17Å; V156-Y217 WeakPolarHBondContact O-CE1 3.42Å
157	L	96.2	Very high	93.6	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.052	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.2	171.1	-176.8	60.1	0	0	0	109.9	L134 K136 G138 D139 C161 V164	L134-L157 HydrophobicContact CB-CB 3.81Å; L134-L157 HydrophobicContact CB-CD2 4.13Å; L134-L157 HydrophobicContact CB-CG 4.5Å; L134-L157 HydrophobicContact CD1-CB 4.09Å; K136-L157 WeakPolarHBondContact O-CD2 3.41Å; G138-L157 WeakPolarHBondContact CA-O 3.39Å; G138-L157 PolarHBondContact N-O 3.3Å; D139-L157 HydrophobicContact CB-CB 4.45Å; D139-L157 PolarHBondContact O-N 2.87Å; L157-C161 HydrophobicContact CD2-CB 4.17Å; L157-C161 HydrophobicContact CG-CB 4.43Å; L157-V164 HydrophobicContact CD1-CG2 3.83Å
158	N	94	Very high	93.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.			trans	-68.6	174	-177	72.5	-14.6	0	0	0	113.3	A137 N160 C161 C162 F163 Y217	A137-N158 WeakPolarHBondContact CA-O 3.23Å; A137-N158 WeakPolarHBondContact CB-O 3.34Å; N158-N160 VanDerWaalsContact C-N 3.27Å; N158-N160 PolarHBondContact ND2-OD1 3.45Å; N158-N160 PolarHBondContact O-N 2.91Å; N158-N160 PolarHBondContact OD1-OD1 2.93Å; N158-C161 PolarHBondContact O-N 2.76Å; N158-C161 VanDerWaalsContact O-N 3.11Å; N158-C161 PolarHBondContact OD1-N 2.76Å; N158-C162 PolarHBondContact OD1-N 3.27Å; N158-C162 VanDerWaalsContact OD1-N 3.12Å; N158-F163 VanDerWaalsContact CG-O 3.3Å; N158-F163 PolarHBondContact N-O 2.85Å; N158-F163 PolarHBondContact OD1-N 3.31Å; N158-F163 VanDerWaalsContact OD1-N 3.13Å; N158-F163 PolarHBondContact OD1-O 3.06Å; N158-Y217 HydrophobicContact CB-CD1 3.66Å; N158-Y217 HydrophobicContact CB-CE1 3.44Å; N158-Y217 VanDerWaalsContact CB-CE1 3.44Å; N158-Y217 HydrophobicContact CB-CG 4.36Å
159	Y	89.4	Confident	93.9	Very high	147 Å²	147	40.9 Å²	40.9	58%	0.576	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-30	-176.2	72.3	-87.4	0	0	0	114.5	F216	Y159-F216 HydrophobicContact CD1-CB 4.48Å
160	N	89.6	Confident	93.9	Very high	61 Å²	61	34.9 Å²	34.9	33%	0.326	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	2.5	179.6	72.9	12.6	0	0	0	113.7	N158 C162	N158-N160 VanDerWaalsContact C-N 3.27Å; N158-N160 PolarHBondContact ND2-OD1 3.45Å; N158-N160 PolarHBondContact O-N 2.91Å; N158-N160 PolarHBondContact OD1-OD1 2.93Å; N160-C162 PolarHBondContact O-N 3.35Å; N160-C162 VanDerWaalsContact O-N 3.16Å; N160-C162 PolarHBondContact O-SG 2.97Å; N160-C162 VanDerWaalsContact O-SG 3.38Å; N160-C162 WeakPolarHBondContact OD1-CB 3.15Å; N160-C162 PolarHBondContact OD1-N 2.92Å
161	C	91.2	Very high	93.9	Very high	63 Å²	63	38.2 Å²	38.2	43%	0.426	19%	0.192	S	C	.	.	S	Bend	trans	59.9	15.5	-178.5	-54.1	0	0	0	0	115.5	A137 L157 N158	A137-C161 PolarHBondContact N-SG 3.12Å; L157-C161 HydrophobicContact CD2-CB 4.17Å; L157-C161 HydrophobicContact CG-CB 4.43Å; N158-C161 PolarHBondContact O-N 2.76Å; N158-C161 VanDerWaalsContact O-N 3.11Å; N158-C161 PolarHBondContact OD1-N 2.76Å
162	C	88.7	Confident	93.7	Very high	75 Å²	75	35.5 Å²	35.5	51%	0.507	19%	0.185	S	C	.	.	S	Bend	trans	-97.2	-28.6	-179	-60.2	0	0	0	0	113	N158 N160	N158-C162 PolarHBondContact OD1-N 3.27Å; N158-C162 VanDerWaalsContact OD1-N 3.12Å; N160-C162 PolarHBondContact O-N 3.35Å; N160-C162 VanDerWaalsContact O-N 3.16Å; N160-C162 PolarHBondContact O-SG 2.97Å; N160-C162 VanDerWaalsContact O-SG 3.38Å; N160-C162 WeakPolarHBondContact OD1-CB 3.15Å; N160-C162 PolarHBondContact OD1-N 2.92Å
163	F	91.1	Very high	93.2	Very high	102 Å²	102	44.5 Å²	44.5	45%	0.447	23%	0.226	S	C	.	.			trans	-126.1	138.9	-172.7	-58.6	-73.2	0	0	0	112	N158 N215	N158-F163 VanDerWaalsContact CG-O 3.3Å; N158-F163 PolarHBondContact N-O 2.85Å; N158-F163 PolarHBondContact OD1-N 3.31Å; N158-F163 VanDerWaalsContact OD1-N 3.13Å; N158-F163 PolarHBondContact OD1-O 3.06Å; F163-N215 VanDerWaalsContact CD2-OD1 3.3Å; F163-N215 WeakPolarHBondContact CD2-OD1 3.28Å
164	V	93.4	Very high	92.7	Very high	37 Å²	37	50.8 Å²	50.8	22%	0.224	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.2	173.6	175.9	0	0	0	0	108.6	R131 L134 L155 V156 L157	R131-V164 HydrophobicContact CG-CG2 4Å; L134-V164 HydrophobicContact CD1-CB 4.44Å; L134-V164 HydrophobicContact CD1-CG1 3.66Å; L134-V164 HydrophobicContact CD1-CG2 3.91Å; L155-V164 HydrophobicContact CD2-CG1 3.88Å; L155-V164 HydrophobicContact CG-CG1 3.83Å; V156-V164 CarbonylContact O-C 3.54Å; V156-V164 WeakPolarHBondContact O-CA 3.42Å; L157-V164 HydrophobicContact CD1-CG2 3.83Å
165	G	93.7	Very high	92.2	Very high	3 Å²	3	51.1 Å²	51.1	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	139	174.5	0	0	0	0	0	109.2	L155 V156 Y217	L155-G165 WeakPolarHBondContact CA-O 3.27Å; V156-G165 PolarHBondContact N-O 2.96Å; V156-G165 PolarHBondContact O-N 3.45Å; G165-Y217 VanDerWaalsContact CA-CE1 3.45Å; G165-Y217 PolarHBondContact N-OH 2.79Å
166	V	94.2	Very high	92	Very high	40 Å²	40	54.3 Å²	54.3	24%	0.242	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.8	172.7	179.9	0	0	0	0	106.7	R127 L154 L155	R127-V166 HydrophobicContact CB-CG2 4.47Å; R127-V166 HydrophobicContact CG-CG1 4.45Å; R127-V166 HydrophobicContact CG-CG2 4.04Å; L154-V166 WeakPolarHBondContact O-CA 3.41Å; L155-V166 HydrophobicContact CD1-CG1 4.38Å; L155-V166 HydrophobicContact CD1-CG2 3.84Å; L155-V166 HydrophobicContact CG-CG2 4.21Å
167	F	95.3	Very high	91.8	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	108.3	-178.8	-56.5	-83.3	0	0	0	108.1	S153 L154 V156 I179 Q181 L206 V208 Y217	S153-F167 CarbonylContact C-O 3.51Å; S153-F167 WeakPolarHBondContact CA-O 3.31Å; L154-F167 HydrophobicContact CB-CB 4.31Å; L154-F167 PolarHBondContact N-O 3.35Å; L154-F167 PolarHBondContact O-N 3.42Å; V156-F167 HydrophobicContact CB-CE2 4.24Å; V156-F167 HydrophobicContact CG2-CD2 4.05Å; V156-F167 HydrophobicContact CG2-CE2 4.03Å; F167-I179 HydrophobicContact CB-CD1 3.79Å; F167-I179 HydrophobicContact CB-CG1 4.29Å; F167-I179 HydrophobicContact CB-CG2 3.83Å; F167-I179 HydrophobicContact CD1-CG2 4.09Å; F167-I179 HydrophobicContact CG-CG2 4.32Å; F167-Q181 HydrophobicContact CD1-CB 4.15Å; F167-Q181 HydrophobicContact CD1-CG 4.35Å; F167-Q181 HydrophobicContact CE1-CB 4.22Å; F167-Q181 HydrophobicContact CE1-CG 4.47Å; F167-L206 HydrophobicContact CB-CD1 4.46Å; F167-L206 HydrophobicContact CD1-CB 4.04Å; F167-L206 HydrophobicContact CD1-CD1 4.11Å; F167-L206 HydrophobicContact CD2-CB 4.49Å; F167-L206 HydrophobicContact CD2-CD1 3.64Å; F167-L206 HydrophobicContact CE1-CB 3.48Å; F167-L206 VanDerWaalsContact CE1-CB 3.48Å; F167-L206 HydrophobicContact CE1-CD1 4.27Å; F167-L206 HydrophobicContact CE1-CG 4.44Å; F167-L206 HydrophobicContact CE2-CB 3.98Å; F167-L206 HydrophobicContact CE2-CD1 3.81Å; F167-L206 HydrophobicContact CG-CD1 3.8Å; F167-L206 HydrophobicContact CZ-CB 3.44Å; F167-L206 VanDerWaalsContact CZ-CB 3.44Å; F167-L206 HydrophobicContact CZ-CD1 4.11Å; F167-L206 HydrophobicContact CZ-CG 4.43Å; F167-V208 HydrophobicContact CE1-CG2 3.54Å; F167-V208 HydrophobicContact CZ-CG2 3.74Å; F167-Y217 HydrophobicContact CE2-CD1 4.34Å; F167-Y217 HydrophobicContact CE2-CD2 4.13Å; F167-Y217 AromaticContact CE2-CG 3.91Å; F167-Y217 HydrophobicContact CE2-CG 3.91Å; F167-Y217 AromaticContact CZ-CD2 3.52Å; F167-Y217 HydrophobicContact CZ-CD2 3.52Å; F167-Y217 HydrophobicContact CZ-CE2 4.08Å; F167-Y217 AromaticContact CZ-CG 3.77Å; F167-Y217 HydrophobicContact CZ-CG 3.77Å
168	V	94.7	Very high	91.7	Very high	18 Å²	18	56.6 Å²	56.6	11%	0.109	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	136.2	179	-167.4	0	0	0	0	108.2	H148 R151	H148-V168 WeakPolarHBondContact CE1-CG2 3.32Å; H148-V168 WeakPolarHBondContact ND1-CG2 3.16Å; R151-V168 HydrophobicContact CB-CG1 3.7Å
169	F	95.3	Very high	91.6	Very high	3 Å²	3	56.7 Å²	56.7	1%	0.013	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-78.8	128.4	171.5	-68.6	-95.1	0	0	0	109	P152 L154 F177 F178 I179 V192 A195 V196 Y199	P152-F169 HydrophobicContact CB-CB 4.48Å; P152-F169 HydrophobicContact CB-CD2 4.21Å; P152-F169 HydrophobicContact CG-CB 4.06Å; P152-F169 WeakPolarHBondContact O-CD2 3.28Å; P152-F169 PolarHBondContact O-N 3.36Å; L154-F169 HydrophobicContact CB-CE2 3.83Å; L154-F169 HydrophobicContact CB-CZ 4.26Å; F169-F177 HydrophobicContact CB-CD1 4.3Å; F169-F177 HydrophobicContact CD1-CB 4.14Å; F169-F178 CarbonylContact C-O 3.46Å; F169-F178 WeakPolarHBondContact CA-O 3.36Å; F169-I179 HydrophobicContact CD1-CD1 4.34Å; F169-I179 HydrophobicContact CD1-CG1 3.8Å; F169-I179 HydrophobicContact CE1-CD1 3.8Å; F169-I179 HydrophobicContact CE1-CG1 3.74Å; F169-I179 HydrophobicContact CE2-CD1 4.25Å; F169-I179 HydrophobicContact CG-CG1 4.22Å; F169-I179 HydrophobicContact CZ-CD1 3.74Å; F169-I179 HydrophobicContact CZ-CG1 4.13Å; F169-V192 HydrophobicContact CD2-CG1 4.09Å; F169-V192 HydrophobicContact CE1-CG1 4.3Å; F169-V192 HydrophobicContact CE2-CG1 3.74Å; F169-V192 HydrophobicContact CZ-CG1 3.87Å; F169-A195 HydrophobicContact CD1-CB 4.32Å; F169-A195 HydrophobicContact CE1-CB 3.64Å; F169-V196 HydrophobicContact CE1-CG2 4.46Å; F169-V196 HydrophobicContact CE2-CG2 4.4Å; F169-V196 HydrophobicContact CZ-CG2 3.62Å; F169-Y199 HydrophobicContact CE1-CE2 4.06Å
170	D	93.2	Very high	91.6	Very high	29 Å²	29	56 Å²	56	16%	0.155	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	157.1	166.7	-63	-53.6	0	0	0	109.4	R151 F177 F178 Q180	R151-D170 IonicContact CZ-OD1 3.99Å; R151-D170 IonicContact NH1-OD1 3.29Å; R151-D170 PolarHBondContact NH1-OD1 2.94Å; R151-D170 IonicContact NH2-OD1 2.7Å; D170-F177 WeakPolarHBondContact O-CA 3.26Å; D170-F178 HydrophobicContact CB-CE1 3.96Å; D170-F178 HydrophobicContact CB-CE2 4.04Å; D170-F178 HydrophobicContact CB-CZ 3.7Å; D170-F178 PolarHBondContact N-O 2.91Å; D170-F178 PolarHBondContact O-N 2.82Å; D170-Q180 VanDerWaalsContact OD2-CD 3.23Å; D170-Q180 VanDerWaalsContact OD2-CG 3.22Å; D170-Q180 WeakPolarHBondContact OD2-CG 3.39Å; D170-Q180 PolarHBondContact OD2-NE2 2.81Å
171	E	91.7	Very high	91.4	Very high	110 Å²	110	56.3 Å²	56.3	51%	0.514	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.1	177.8	-170.5	177	166.7	0	0	107.9	G175 K176	E171-G175 VanDerWaalsContact OE1-CA 3.23Å; E171-G175 WeakPolarHBondContact OE1-CA 3.1Å; E171-K176 CarbonylContact C-O 3.52Å; E171-K176 VanDerWaalsContact CA-O 3.3Å; E171-K176 WeakPolarHBondContact CA-O 3.37Å
172	D	90.2	Very high	90.9	Very high	38 Å²	38	53.7 Å²	53.7	20%	0.203	27%	0.268	C	S	.	.			trans	-82.7	-177.5	174.2	65.9	14.4	0	0	0	112.1	E174 G175 K176 F178 S188	D172-E174 PolarHBondContact O-N 2.79Å; D172-E174 PolarHBondContact OD1-N 2.8Å; D172-E174 VanDerWaalsContact OD1-N 3.13Å; D172-G175 PolarHBondContact O-N 3.13Å; D172-G175 VanDerWaalsContact O-N 3.1Å; D172-G175 PolarHBondContact OD1-N 2.94Å; D172-G175 VanDerWaalsContact OD1-N 3.12Å; D172-K176 PolarHBondContact N-O 3.14Å; D172-K176 WeakPolarHBondContact OD1-CA 3.29Å; D172-K176 WeakPolarHBondContact OD1-CB 3.4Å; D172-K176 PolarHBondContact OD1-N 2.86Å; D172-K176 WeakPolarHBondContact OD2-CB 3.47Å; D172-F178 HydrophobicContact CB-CD1 4.42Å; D172-F178 HydrophobicContact CB-CE1 3.94Å; D172-S188 WeakPolarHBondContact OD2-CB 3.31Å; D172-S188 PolarHBondContact OD2-OG 3Å
173	E	87.1	Confident	89.6	Confident	196 Å²	196	57.2 Å²	57.2	92%	0.916	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.9	-178.3	-61.6	-176.7	-176.8	0	0	112.5
174	E	85.4	Confident	88.6	Confident	132 Å²	132	55.6 Å²	55.6	62%	0.617	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-2.4	176.3	-63.8	78.9	-168.3	0	0	113.9	D172 K176	D172-E174 PolarHBondContact O-N 2.79Å; D172-E174 PolarHBondContact OD1-N 2.8Å; D172-E174 VanDerWaalsContact OD1-N 3.13Å; E174-K176 HydrophobicContact CB-CD 4.42Å; E174-K176 HydrophobicContact CB-CG 4.32Å
175	G	88	Confident	86.8	Confident	7 Å²	7	59 Å²	59	7%	0.072	29%	0.291	C	S	.	.	S	Bend	trans	82.1	20.1	-178.3	0	0	0	0	0	114.3	E171 D172	E171-G175 VanDerWaalsContact OE1-CA 3.23Å; E171-G175 WeakPolarHBondContact OE1-CA 3.1Å; D172-G175 PolarHBondContact O-N 3.13Å; D172-G175 VanDerWaalsContact O-N 3.1Å; D172-G175 PolarHBondContact OD1-N 2.94Å; D172-G175 VanDerWaalsContact OD1-N 3.12Å
176	K	91.5	Very high	85.2	Confident	68 Å²	68	68 Å²	68	30%	0.296	33%	0.332	S	S	.	.			trans	-98.6	148.5	-179.4	-61.6	176.2	178.6	174.8	0	111.7	E171 D172 E174 S188 F189	E171-K176 CarbonylContact C-O 3.52Å; E171-K176 VanDerWaalsContact CA-O 3.3Å; E171-K176 WeakPolarHBondContact CA-O 3.37Å; D172-K176 PolarHBondContact N-O 3.14Å; D172-K176 WeakPolarHBondContact OD1-CA 3.29Å; D172-K176 WeakPolarHBondContact OD1-CB 3.4Å; D172-K176 PolarHBondContact OD1-N 2.86Å; D172-K176 WeakPolarHBondContact OD2-CB 3.47Å; E174-K176 HydrophobicContact CB-CD 4.42Å; E174-K176 HydrophobicContact CB-CG 4.32Å; K176-S188 WeakPolarHBondContact CB-OG 3.31Å; K176-S188 WeakPolarHBondContact CD-OG 3.48Å; K176-F189 CarbonylContact C-O 3.53Å; K176-F189 VanDerWaalsContact CA-O 3.22Å; K176-F189 WeakPolarHBondContact CA-O 3.38Å; K176-F189 VanDerWaalsContact CB-O 3.27Å; K176-F189 WeakPolarHBondContact CB-O 3.39Å
177	F	93.6	Very high	84.6	Confident	3 Å²	3	67.2 Å²	67.2	1%	0.013	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	137.4	-172.1	-59.5	-82.5	0	0	0	112.4	P152 F169 D170 S188 F189 V192 P571 L572 E573	P152-F177 HydrophobicContact CG-CD1 4.4Å; P152-F177 HydrophobicContact CG-CE1 4.29Å; F169-F177 HydrophobicContact CB-CD1 4.3Å; F169-F177 HydrophobicContact CD1-CB 4.14Å; D170-F177 WeakPolarHBondContact O-CA 3.26Å; F177-S188 WeakPolarHBondContact O-CA 3.41Å; F177-F189 PolarHBondContact N-O 2.77Å; F177-F189 WeakPolarHBondContact O-CD2 3.48Å; F177-F189 PolarHBondContact O-N 2.69Å; F177-V192 HydrophobicContact CB-CG2 4.38Å; F177-V192 HydrophobicContact CD1-CG2 3.8Å; F177-V192 HydrophobicContact CD2-CG2 4.22Å; F177-V192 HydrophobicContact CE1-CG2 4.16Å; F177-V192 HydrophobicContact CG-CG2 3.83Å; F177-P571 HydrophobicContact CE1-CB 3.82Å; F177-P571 HydrophobicContact CE1-CG 4.39Å; F177-P571 HydrophobicContact CZ-CB 3.82Å; F177-P571 HydrophobicContact CZ-CG 4.4Å; F177-L572 WeakPolarHBondContact CZ-O 3.32Å; F177-E573 HydrophobicContact CE2-CB 4.5Å; F177-E573 HydrophobicContact CE2-CG 3.81Å; F177-E573 HydrophobicContact CZ-CG 4.14Å
178	F	93.6	Very high	84.3	Confident	56 Å²	56	68.8 Å²	68.8	25%	0.246	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	162	171.5	65.3	-80.9	0	0	0	111.7	F169 D170 D172 Q180 A187	F169-F178 CarbonylContact C-O 3.46Å; F169-F178 WeakPolarHBondContact CA-O 3.36Å; D170-F178 HydrophobicContact CB-CE1 3.96Å; D170-F178 HydrophobicContact CB-CE2 4.04Å; D170-F178 HydrophobicContact CB-CZ 3.7Å; D170-F178 PolarHBondContact N-O 2.91Å; D170-F178 PolarHBondContact O-N 2.82Å; D172-F178 HydrophobicContact CB-CD1 4.42Å; D172-F178 HydrophobicContact CB-CE1 3.94Å; F178-Q180 HydrophobicContact CD2-CG 4.44Å; F178-Q180 HydrophobicContact CE2-CG 3.8Å; F178-A187 WeakPolarHBondContact CB-O 3.41Å
179	I	93.2	Very high	84.2	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.01	34%	0.339	C	S	.	.			trans	-108	118.2	170.6	-66.6	173.3	0	0	0	107.6	L154 F167 F169 Q181 A182 Y199 L206	L154-I179 HydrophobicContact CB-CD1 4.33Å; L154-I179 HydrophobicContact CD2-CD1 3.91Å; F167-I179 HydrophobicContact CB-CD1 3.79Å; F167-I179 HydrophobicContact CB-CG1 4.29Å; F167-I179 HydrophobicContact CB-CG2 3.83Å; F167-I179 HydrophobicContact CD1-CG2 4.09Å; F167-I179 HydrophobicContact CG-CG2 4.32Å; F169-I179 HydrophobicContact CD1-CD1 4.34Å; F169-I179 HydrophobicContact CD1-CG1 3.8Å; F169-I179 HydrophobicContact CE1-CD1 3.8Å; F169-I179 HydrophobicContact CE1-CG1 3.74Å; F169-I179 HydrophobicContact CE2-CD1 4.25Å; F169-I179 HydrophobicContact CG-CG1 4.22Å; F169-I179 HydrophobicContact CZ-CD1 3.74Å; F169-I179 HydrophobicContact CZ-CG1 4.13Å; I179-Q181 HydrophobicContact CG2-CB 4.14Å; I179-Q181 PolarHBondContact O-N 3.43Å; I179-Q181 VanDerWaalsContact O-N 3.09Å; I179-A182 HydrophobicContact CB-CB 4.29Å; I179-A182 VanDerWaalsContact O-CB 3.25Å; I179-A182 WeakPolarHBondContact O-CB 3.16Å; I179-A182 PolarHBondContact O-N 2.98Å; I179-Y199 HydrophobicContact CB-CE2 4.11Å; I179-Y199 HydrophobicContact CD1-CD2 4Å; I179-Y199 HydrophobicContact CD1-CE2 3.6Å; I179-Y199 HydrophobicContact CG1-CE2 3.85Å; I179-Y199 PolarHBondContact N-OH 3.19Å; I179-L206 HydrophobicContact CD1-CD1 4.28Å; I179-L206 HydrophobicContact CG2-CD2 4.12Å
180	Q	88.6	Confident	83.9	Confident	131 Å²	131	69 Å²	69	61%	0.612	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-34	179.6	-76	176.4	25.7	0	0	113.6	D170 F178 A182	D170-Q180 VanDerWaalsContact OD2-CD 3.23Å; D170-Q180 VanDerWaalsContact OD2-CG 3.22Å; D170-Q180 WeakPolarHBondContact OD2-CG 3.39Å; D170-Q180 PolarHBondContact OD2-NE2 2.81Å; F178-Q180 HydrophobicContact CD2-CG 4.44Å; F178-Q180 HydrophobicContact CE2-CG 3.8Å; Q180-A182 VanDerWaalsContact C-N 3.25Å; Q180-A182 PolarHBondContact O-N 3.4Å
181	Q	85.9	Confident	83.9	Confident	68 Å²	68	67.7 Å²	67.7	32%	0.318	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-9.9	-179.6	-58.2	79.9	7	0	0	113.3	F167 I179 K183 Q207	F167-Q181 HydrophobicContact CD1-CB 4.15Å; F167-Q181 HydrophobicContact CD1-CG 4.35Å; F167-Q181 HydrophobicContact CE1-CB 4.22Å; F167-Q181 HydrophobicContact CE1-CG 4.47Å; I179-Q181 HydrophobicContact CG2-CB 4.14Å; I179-Q181 PolarHBondContact O-N 3.43Å; I179-Q181 VanDerWaalsContact O-N 3.09Å; Q181-K183 PolarHBondContact O-N 2.8Å; Q181-Q207 WeakPolarHBondContact CG-O 3.31Å
182	A	81.1	Confident	84.1	Confident	9 Å²	9	62.4 Å²	62.4	7%	0.074	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-78	104.8	168	0	0	0	0	0	107.4	I179 Q180 Q184 Y199 T204 L206	I179-A182 HydrophobicContact CB-CB 4.29Å; I179-A182 VanDerWaalsContact O-CB 3.25Å; I179-A182 WeakPolarHBondContact O-CB 3.16Å; I179-A182 PolarHBondContact O-N 2.98Å; Q180-A182 VanDerWaalsContact C-N 3.25Å; Q180-A182 PolarHBondContact O-N 3.4Å; A182-Q184 PolarHBondContact O-N 2.94Å; A182-Y199 HydrophobicContact CB-CD1 4.26Å; A182-Y199 HydrophobicContact CB-CE1 3.65Å; A182-T204 HydrophobicContact CB-CG2 3.85Å; A182-L206 HydrophobicContact CB-CD2 3.71Å
183	K	61.2	Low	84.2	Confident	148 Å²	148	60.8 Å²	60.8	64%	0.643	30%	0.302	S	S	*	.			trans	-63	25.4	-175.9	-80.4	175.7	157.4	162.5	0	115.9	Q181 P185	Q181-K183 PolarHBondContact O-N 2.8Å; K183-P185 WeakPolarHBondContact O-CD 3.19Å
184	Q	68.8	Low	84.5	Confident	69 Å²	69	53.3 Å²	53.3	32%	0.322	27%	0.267	S	S	.	.			trans	-92.6	110.7	176	-63.9	-169.1	7.7	0	0	109.3	A182 H186 A187 T204	A182-Q184 PolarHBondContact O-N 2.94Å; Q184-H186 PolarHBondContact O-N 2.85Å; Q184-A187 HydrophobicContact CB-CB 3.63Å; Q184-T204 PolarHBondContact NE2-OG1 2.82Å; Q184-T204 VanDerWaalsContact NE2-OG1 3.12Å
185	P	56.8	Low	84.8	Confident	108 Å²	108	47 Å²	47	70%	0.701	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	130.6	171.1	10.1	-4.5	0	0	0	109	K183 A187	K183-P185 WeakPolarHBondContact O-CD 3.19Å; P185-A187 PolarHBondContact O-N 2.8Å
186	H	60.7	Low	85.2	Confident	193 Å²	193	46.7 Å²	46.7	89%	0.894	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	23.5	174.1	-46.3	-70.5	0	0	0	116.8	Q184 S188	Q184-H186 PolarHBondContact O-N 2.85Å; H186-S188 PolarHBondContact O-N 3.28Å
187	A	81.5	Confident	85.2	Confident	22 Å²	22	47.4 Å²	47.4	18%	0.182	24%	0.238	C	C	.	.			trans	-96	85.4	172.2	0	0	0	0	0	110.9	F178 Q184 P185 F189	F178-A187 WeakPolarHBondContact CB-O 3.41Å; Q184-A187 HydrophobicContact CB-CB 3.63Å; P185-A187 PolarHBondContact O-N 2.8Å; A187-F189 HydrophobicContact CB-CE2 4.16Å; A187-F189 HydrophobicContact CB-CZ 4.04Å; A187-F189 WeakPolarHBondContact O-CE2 3.34Å
188	S	89	Confident	85.1	Confident	35 Å²	35	49 Å²	49	25%	0.245	25%	0.247	C	C	.	.			trans	-108.3	149.2	165.7	66.6	0	0	0	0	110.8	D172 K176 F177 H186	D172-S188 WeakPolarHBondContact OD2-CB 3.31Å; D172-S188 PolarHBondContact OD2-OG 3Å; K176-S188 WeakPolarHBondContact CB-OG 3.31Å; K176-S188 WeakPolarHBondContact CD-OG 3.48Å; F177-S188 WeakPolarHBondContact O-CA 3.41Å; H186-S188 PolarHBondContact O-N 3.28Å
189	F	91.4	Very high	85.1	Confident	18 Å²	18	46.5 Å²	46.5	8%	0.079	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-127.1	150.1	-168.8	-57.4	-82.5	0	0	0	112.2	K176 F177 A187 S191 E194 A195 N198 Y199	K176-F189 CarbonylContact C-O 3.53Å; K176-F189 VanDerWaalsContact CA-O 3.22Å; K176-F189 WeakPolarHBondContact CA-O 3.38Å; K176-F189 VanDerWaalsContact CB-O 3.27Å; K176-F189 WeakPolarHBondContact CB-O 3.39Å; F177-F189 PolarHBondContact N-O 2.77Å; F177-F189 WeakPolarHBondContact O-CD2 3.48Å; F177-F189 PolarHBondContact O-N 2.69Å; A187-F189 HydrophobicContact CB-CE2 4.16Å; A187-F189 HydrophobicContact CB-CZ 4.04Å; A187-F189 WeakPolarHBondContact O-CE2 3.34Å; F189-S191 VanDerWaalsContact C-N 3.26Å; F189-S191 PolarHBondContact O-N 2.95Å; F189-E194 HydrophobicContact CB-CB 4.13Å; F189-E194 HydrophobicContact CB-CG 4.24Å; F189-E194 HydrophobicContact CD1-CG 3.9Å; F189-E194 HydrophobicContact CG-CG 4.46Å; F189-A195 HydrophobicContact CB-CB 3.87Å; F189-A195 VanDerWaalsContact CD2-CA 3.43Å; F189-A195 HydrophobicContact CD2-CB 3.38Å; F189-A195 HydrophobicContact CE2-CB 4.13Å; F189-A195 HydrophobicContact CG-CB 3.77Å; F189-N198 HydrophobicContact CD1-CB 4.3Å; F189-N198 HydrophobicContact CE1-CB 3.49Å; F189-N198 VanDerWaalsContact CE1-CB 3.49Å; F189-N198 WeakPolarHBondContact CE1-ND2 3.31Å; F189-N198 HydrophobicContact CE2-CB 4.45Å; F189-N198 HydrophobicContact CZ-CB 3.57Å; F189-N198 WeakPolarHBondContact CZ-OD1 3.22Å; F189-Y199 AromaticContact CE2-CE1 3.78Å; F189-Y199 HydrophobicContact CE2-CE1 3.78Å; F189-Y199 AromaticContact CE2-CZ 3.87Å; F189-Y199 HydrophobicContact CZ-CE1 4.35Å
190	S	89.8	Confident	85.1	Confident	8 Å²	8	49.4 Å²	49.4	6%	0.056	25%	0.248	C	C	.	.	S	Bend	trans	-68	-26.2	-175.8	65.6	0	0	0	0	113.7	E194 W574	S190-E194 WeakPolarHBondContact CB-OE2 3.39Å; S190-E194 PolarHBondContact N-OE2 2.75Å; S190-E194 PolarHBondContact OG-OE2 2.82Å; S190-W574 WeakPolarHBondContact CB-O 3.32Å
191	S	92.9	Very high	85.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-139.7	157.5	178.4	77.4	0	0	0	0	111.4	Q112 F189 G193 E194 A195 E573	Q112-S191 PolarHBondContact OE1-OG 3.41Å; F189-S191 VanDerWaalsContact C-N 3.26Å; F189-S191 PolarHBondContact O-N 2.95Å; S191-G193 PolarHBondContact O-N 3.34Å; S191-G193 PolarHBondContact OG-N 3.13Å; S191-E194 PolarHBondContact O-N 2.76Å; S191-E194 WeakPolarHBondContact OG-CB 3.27Å; S191-E194 PolarHBondContact OG-N 3.35Å; S191-A195 PolarHBondContact O-N 2.97Å; S191-A195 VanDerWaalsContact O-N 3.12Å; S191-E573 WeakPolarHBondContact CA-OE1 3.26Å; S191-E573 WeakPolarHBondContact CB-OE1 3.49Å
192	V	94.9	Very high	85.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-36.2	173	175.6	0	0	0	0	110.2	I115 V142 P152 F169 F177 A195 V196 P571 E573	I115-V192 HydrophobicContact CD1-CB 4.19Å; I115-V192 HydrophobicContact CD1-CG1 4.11Å; I115-V192 HydrophobicContact CD1-CG2 4.23Å; I115-V192 HydrophobicContact CG1-CB 4.43Å; I115-V192 HydrophobicContact CG1-CG1 4.46Å; V142-V192 HydrophobicContact CG1-CG1 3.9Å; P152-V192 HydrophobicContact CB-CG1 4.44Å; P152-V192 HydrophobicContact CB-CG2 3.8Å; P152-V192 HydrophobicContact CG-CG2 4Å; F169-V192 HydrophobicContact CD2-CG1 4.09Å; F169-V192 HydrophobicContact CE1-CG1 4.3Å; F169-V192 HydrophobicContact CE2-CG1 3.74Å; F169-V192 HydrophobicContact CZ-CG1 3.87Å; F177-V192 HydrophobicContact CB-CG2 4.38Å; F177-V192 HydrophobicContact CD1-CG2 3.8Å; F177-V192 HydrophobicContact CD2-CG2 4.22Å; F177-V192 HydrophobicContact CE1-CG2 4.16Å; F177-V192 HydrophobicContact CG-CG2 3.83Å; V192-A195 PolarHBondContact O-N 2.8Å; V192-V196 HydrophobicContact CG1-CG2 4.39Å; V192-V196 VanDerWaalsContact O-CG2 3.3Å; V192-V196 WeakPolarHBondContact O-CG2 3.44Å; V192-V196 PolarHBondContact O-N 3.44Å; V192-P571 HydrophobicContact CG2-CG 4.44Å; V192-E573 PolarHBondContact N-OE1 2.95Å
193	G	93.7	Very high	85.9	Confident	4 Å²	4	54.9 Å²	54.9	4%	0.041	28%	0.277	C	S	.	.	H	α-helix	trans	-60.3	-45	175.8	0	0	0	0	0	112.8	S191 Q197	S191-G193 PolarHBondContact O-N 3.34Å; S191-G193 PolarHBondContact OG-N 3.13Å; G193-Q197 WeakPolarHBondContact O-CG 3.25Å; G193-Q197 PolarHBondContact O-N 3.47Å
194	E	92.1	Very high	87.3	Confident	38 Å²	38	48.5 Å²	48.5	18%	0.178	25%	0.25	C	S	.	.	H	α-helix	trans	-62.2	-46.5	176.6	-168.7	175.1	-145.4	0	0	111.3	Q112 F189 S190 S191 V196 Q197 N198 R497	Q112-E194 PolarHBondContact NE2-OE1 3.32Å; F189-E194 HydrophobicContact CB-CB 4.13Å; F189-E194 HydrophobicContact CB-CG 4.24Å; F189-E194 HydrophobicContact CD1-CG 3.9Å; F189-E194 HydrophobicContact CG-CG 4.46Å; S190-E194 WeakPolarHBondContact CB-OE2 3.39Å; S190-E194 PolarHBondContact N-OE2 2.75Å; S190-E194 PolarHBondContact OG-OE2 2.82Å; S191-E194 PolarHBondContact O-N 2.76Å; S191-E194 WeakPolarHBondContact OG-CB 3.27Å; S191-E194 PolarHBondContact OG-N 3.35Å; E194-V196 PolarHBondContact O-N 2.87Å; E194-Q197 PolarHBondContact O-N 2.8Å; E194-N198 WeakPolarHBondContact O-CB 3.31Å; E194-N198 PolarHBondContact O-N 3.04Å; E194-R497 IonicContact OE1-CZ 3.04Å; E194-R497 IonicContact OE1-NH1 2.68Å; E194-R497 PolarHBondContact OE1-NH1 3.02Å; E194-R497 IonicContact OE1-NH2 2.9Å; E194-R497 PolarHBondContact OE1-NH2 2.76Å; E194-R497 IonicContact OE2-NH2 3.45Å
195	A	93.4	Very high	88.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.7	-49.8	178.5	0	0	0	0	0	111.7	F169 F189 S191 V192 Q197 N198 Y199	F169-A195 HydrophobicContact CD1-CB 4.32Å; F169-A195 HydrophobicContact CE1-CB 3.64Å; F189-A195 HydrophobicContact CB-CB 3.87Å; F189-A195 VanDerWaalsContact CD2-CA 3.43Å; F189-A195 HydrophobicContact CD2-CB 3.38Å; F189-A195 HydrophobicContact CE2-CB 4.13Å; F189-A195 HydrophobicContact CG-CB 3.77Å; S191-A195 PolarHBondContact O-N 2.97Å; S191-A195 VanDerWaalsContact O-N 3.12Å; V192-A195 PolarHBondContact O-N 2.8Å; A195-Q197 PolarHBondContact O-N 3.31Å; A195-N198 PolarHBondContact O-N 3.2Å; A195-Y199 HydrophobicContact CB-CE2 4.09Å; A195-Y199 WeakPolarHBondContact O-CD2 3.23Å; A195-Y199 VanDerWaalsContact O-CG 3.22Å; A195-Y199 PolarHBondContact O-N 2.87Å
196	V	94.8	Very high	90.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-44.5	179.8	172.4	0	0	0	0	111.8	F120 F140 V142 L154 F169 V192 E194 N198 Y199 K200 L219	F120-V196 HydrophobicContact CE2-CB 4.38Å; F120-V196 HydrophobicContact CE2-CG1 3.8Å; F120-V196 HydrophobicContact CZ-CG1 3.96Å; F140-V196 HydrophobicContact CD2-CG1 4.2Å; F140-V196 HydrophobicContact CE2-CG1 3.49Å; F140-V196 VanDerWaalsContact CE2-CG1 3.49Å; F140-V196 HydrophobicContact CZ-CG1 4.13Å; V142-V196 HydrophobicContact CG2-CG2 3.84Å; L154-V196 HydrophobicContact CD1-CG2 4.29Å; F169-V196 HydrophobicContact CE1-CG2 4.46Å; F169-V196 HydrophobicContact CE2-CG2 4.4Å; F169-V196 HydrophobicContact CZ-CG2 3.62Å; V192-V196 HydrophobicContact CG1-CG2 4.39Å; V192-V196 VanDerWaalsContact O-CG2 3.3Å; V192-V196 WeakPolarHBondContact O-CG2 3.44Å; V192-V196 PolarHBondContact O-N 3.44Å; E194-V196 PolarHBondContact O-N 2.87Å; V196-N198 VanDerWaalsContact C-N 3.32Å; V196-N198 PolarHBondContact O-N 2.84Å; V196-Y199 PolarHBondContact O-N 2.93Å; V196-K200 WeakPolarHBondContact O-CB 3.45Å; V196-K200 PolarHBondContact O-N 3.36Å; V196-L219 HydrophobicContact CG1-CD2 3.92Å
197	Q	92.4	Very high	91.5	Very high	83 Å²	83	37 Å²	37	39%	0.388	19%	0.19	S	C	.	.	H	α-helix	trans	-64.8	-38.4	178.2	-70.8	-59.7	-25.6	0	0	111.6	G193 E194 A195 K200 L201 E222	G193-Q197 WeakPolarHBondContact O-CG 3.25Å; G193-Q197 PolarHBondContact O-N 3.47Å; E194-Q197 PolarHBondContact O-N 2.8Å; A195-Q197 PolarHBondContact O-N 3.31Å; Q197-K200 PolarHBondContact O-N 3.36Å; Q197-L201 WeakPolarHBondContact O-CB 3.35Å; Q197-L201 PolarHBondContact O-N 3.24Å; Q197-E222 PolarHBondContact NE2-OE1 3.16Å; Q197-E222 VanDerWaalsContact NE2-OE1 3.15Å
198	N	91.5	Very high	91.8	Very high	38 Å²	38	38.2 Å²	38.2	20%	0.203	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-49.5	175.6	-168.8	-77.8	0	0	0	111.3	F189 E194 A195 V196 K200 L201 W202	F189-N198 HydrophobicContact CD1-CB 4.3Å; F189-N198 HydrophobicContact CE1-CB 3.49Å; F189-N198 VanDerWaalsContact CE1-CB 3.49Å; F189-N198 WeakPolarHBondContact CE1-ND2 3.31Å; F189-N198 HydrophobicContact CE2-CB 4.45Å; F189-N198 HydrophobicContact CZ-CB 3.57Å; F189-N198 WeakPolarHBondContact CZ-OD1 3.22Å; E194-N198 WeakPolarHBondContact O-CB 3.31Å; E194-N198 PolarHBondContact O-N 3.04Å; A195-N198 PolarHBondContact O-N 3.2Å; V196-N198 VanDerWaalsContact C-N 3.32Å; V196-N198 PolarHBondContact O-N 2.84Å; N198-K200 VanDerWaalsContact C-N 3.3Å; N198-K200 PolarHBondContact O-N 3.31Å; N198-L201 PolarHBondContact O-N 3.36Å; N198-W202 PolarHBondContact ND2-NE1 2.85Å; N198-W202 PolarHBondContact O-N 2.84Å
199	Y	93.6	Very high	91.4	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-59.8	-39	177.9	-62.1	-31.8	0	0	0	112.9	F169 I179 A182 F189 A195 V196 G203 T204	F169-Y199 HydrophobicContact CE1-CE2 4.06Å; I179-Y199 HydrophobicContact CB-CE2 4.11Å; I179-Y199 HydrophobicContact CD1-CD2 4Å; I179-Y199 HydrophobicContact CD1-CE2 3.6Å; I179-Y199 HydrophobicContact CG1-CE2 3.85Å; I179-Y199 PolarHBondContact N-OH 3.19Å; A182-Y199 HydrophobicContact CB-CD1 4.26Å; A182-Y199 HydrophobicContact CB-CE1 3.65Å; F189-Y199 AromaticContact CE2-CE1 3.78Å; F189-Y199 HydrophobicContact CE2-CE1 3.78Å; F189-Y199 AromaticContact CE2-CZ 3.87Å; F189-Y199 HydrophobicContact CZ-CE1 4.35Å; A195-Y199 HydrophobicContact CB-CE2 4.09Å; A195-Y199 WeakPolarHBondContact O-CD2 3.23Å; A195-Y199 VanDerWaalsContact O-CG 3.22Å; A195-Y199 PolarHBondContact O-N 2.87Å; V196-Y199 PolarHBondContact O-N 2.93Å; Y199-G203 PolarHBondContact O-N 2.93Å; Y199-T204 HydrophobicContact CD1-CG2 4.08Å; Y199-T204 PolarHBondContact O-N 3.02Å
200	K	93.6	Very high	90.6	Very high	63 Å²	63	42.7 Å²	42.7	27%	0.274	22%	0.222	S	C	.	.	H	α-helix	trans	-67.1	-47.3	174.1	179.9	-179.7	178.3	-179.2	0	112.4	F140 V196 Q197 N198 W202 G203 L219 E222	F140-K200 HydrophobicContact CE1-CD 4.06Å; F140-K200 HydrophobicContact CZ-CD 3.9Å; V196-K200 WeakPolarHBondContact O-CB 3.45Å; V196-K200 PolarHBondContact O-N 3.36Å; Q197-K200 PolarHBondContact O-N 3.36Å; N198-K200 VanDerWaalsContact C-N 3.3Å; N198-K200 PolarHBondContact O-N 3.31Å; K200-W202 VanDerWaalsContact C-N 3.34Å; K200-W202 PolarHBondContact O-N 2.75Å; K200-G203 PolarHBondContact O-N 2.93Å; K200-L219 HydrophobicContact CB-CB 3.99Å; K200-L219 HydrophobicContact CB-CD2 4.39Å; K200-L219 HydrophobicContact CG-CB 4.4Å; K200-E222 IonicContact NZ-OE1 2.71Å; K200-E222 PolarHBondContact NZ-OE1 2.83Å
201	L	91.2	Very high	89.7	Confident	120 Å²	120	51.1 Å²	51.1	63%	0.628	27%	0.265	S	S	*	.	H	α-helix	trans	-61.2	-42.8	-176.7	178.8	63.2	0	0	0	112.1	Q197 N198 G203	Q197-L201 WeakPolarHBondContact O-CB 3.35Å; Q197-L201 PolarHBondContact O-N 3.24Å; N198-L201 PolarHBondContact O-N 3.36Å; L201-G203 VanDerWaalsContact C-N 3.34Å
202	W	89.6	Confident	88.9	Confident	172 Å²	172	55.6 Å²	55.6	65%	0.652	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-4.2	-179.5	-64.4	110.5	0	0	0	113.8	N198 K200 T204	N198-W202 PolarHBondContact ND2-NE1 2.85Å; N198-W202 PolarHBondContact O-N 2.84Å; K200-W202 VanDerWaalsContact C-N 3.34Å; K200-W202 PolarHBondContact O-N 2.75Å; W202-T204 PolarHBondContact O-N 3.44Å
203	G	90.4	Very high	88.1	Confident	32 Å²	32	58.2 Å²	58.2	33%	0.33	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	37.5	-175.8	0	0	0	0	0	111.9	Y199 K200 L201 I205	Y199-G203 PolarHBondContact O-N 2.93Å; K200-G203 PolarHBondContact O-N 2.93Å; L201-G203 VanDerWaalsContact C-N 3.34Å; G203-I205 PolarHBondContact O-N 2.96Å
204	T	91.4	Very high	87.7	Confident	13 Å²	13	63.8 Å²	63.8	8%	0.08	35%	0.353	C	S	.	.			trans	-58.1	122.5	-178	-62.7	0	0	0	0	109.8	A182 Q184 Y199 W202 L206	A182-T204 HydrophobicContact CB-CG2 3.85Å; Q184-T204 PolarHBondContact NE2-OG1 2.82Å; Q184-T204 VanDerWaalsContact NE2-OG1 3.12Å; Y199-T204 HydrophobicContact CD1-CG2 4.08Å; Y199-T204 PolarHBondContact O-N 3.02Å; W202-T204 PolarHBondContact O-N 3.44Å; T204-L206 HydrophobicContact CG2-CD2 4.27Å; T204-L206 PolarHBondContact O-N 3.31Å
205	I	91.6	Very high	87.6	Confident	89 Å²	89	62.5 Å²	62.5	46%	0.456	35%	0.347	S	S	.	.			trans	-81.2	115.3	178.2	-57.7	175.4	0	0	0	108.3	G203 F216 I218	G203-I205 PolarHBondContact O-N 2.96Å; I205-F216 HydrophobicContact CG2-CB 4.15Å; I205-F216 HydrophobicContact CG2-CD1 3.66Å; I205-F216 HydrophobicContact CG2-CG 4.34Å; I205-I218 HydrophobicContact CG1-CD1 4.1Å; I205-I218 HydrophobicContact CG1-CG1 4.1Å
206	L	93	Very high	87.5	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.8	169.9	-52.1	177	0	0	0	108.7	L154 F167 I179 A182 T204 Y217 L219	L154-L206 HydrophobicContact CD2-CD1 3.81Å; F167-L206 HydrophobicContact CB-CD1 4.46Å; F167-L206 HydrophobicContact CD1-CB 4.04Å; F167-L206 HydrophobicContact CD1-CD1 4.11Å; F167-L206 HydrophobicContact CD2-CB 4.49Å; F167-L206 HydrophobicContact CD2-CD1 3.64Å; F167-L206 HydrophobicContact CE1-CB 3.48Å; F167-L206 VanDerWaalsContact CE1-CB 3.48Å; F167-L206 HydrophobicContact CE1-CD1 4.27Å; F167-L206 HydrophobicContact CE1-CG 4.44Å; F167-L206 HydrophobicContact CE2-CB 3.98Å; F167-L206 HydrophobicContact CE2-CD1 3.81Å; F167-L206 HydrophobicContact CG-CD1 3.8Å; F167-L206 HydrophobicContact CZ-CB 3.44Å; F167-L206 VanDerWaalsContact CZ-CB 3.44Å; F167-L206 HydrophobicContact CZ-CD1 4.11Å; F167-L206 HydrophobicContact CZ-CG 4.43Å; I179-L206 HydrophobicContact CD1-CD1 4.28Å; I179-L206 HydrophobicContact CG2-CD2 4.12Å; A182-L206 HydrophobicContact CB-CD2 3.71Å; T204-L206 HydrophobicContact CG2-CD2 4.27Å; T204-L206 PolarHBondContact O-N 3.31Å; L206-Y217 PolarHBondContact N-O 3.47Å; L206-Y217 PolarHBondContact O-N 2.97Å; L206-L219 HydrophobicContact CD1-CD1 3.84Å; L206-L219 HydrophobicContact CG-CD1 4.39Å
207	Q	89.7	Confident	87.5	Confident	40 Å²	40	67 Å²	67	19%	0.187	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.3	-175.7	56.8	172.4	26.5	0	0	111.1	Q181 N215 F216	Q181-Q207 WeakPolarHBondContact CG-O 3.31Å; Q207-N215 WeakPolarHBondContact CA-O 3.42Å; Q207-F216 HydrophobicContact CB-CD1 4.4Å
208	V	87.6	Confident	87.6	Confident	47 Å²	47	66.5 Å²	66.5	29%	0.285	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.5	170.3	-177.9	0	0	0	0	108.3	F167 A210 N215 Y217	F167-V208 HydrophobicContact CE1-CG2 3.54Å; F167-V208 HydrophobicContact CZ-CG2 3.74Å; V208-A210 HydrophobicContact CG1-CB 4.43Å; V208-A210 PolarHBondContact O-N 3.04Å; V208-N215 PolarHBondContact N-O 2.92Å; V208-N215 PolarHBondContact O-N 3.28Å; V208-Y217 HydrophobicContact CB-CE2 4.15Å; V208-Y217 HydrophobicContact CG2-CD2 4.44Å; V208-Y217 HydrophobicContact CG2-CE2 3.89Å
209	D	81.8	Confident	87.9	Confident	111 Å²	111	65 Å²	65	59%	0.594	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	106.5	171.5	-65.7	-36.4	0	0	0	108.1	K214	D209-K214 WeakPolarHBondContact OD1-CE 2.82Å; D209-K214 WeakPolarHBondContact OD1-CG 3.4Å
210	A	73.7	Confident	88	Confident	36 Å²	36	69.2 Å²	69.2	30%	0.298	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.8	-179.6	0	0	0	0	0	110.5	V208 G212 S213	V208-A210 HydrophobicContact CG1-CB 4.43Å; V208-A210 PolarHBondContact O-N 3.04Å; A210-G212 VanDerWaalsContact C-N 3.25Å; A210-G212 PolarHBondContact O-N 2.79Å; A210-S213 PolarHBondContact N-O 3.38Å; A210-S213 PolarHBondContact O-N 3.47Å; A210-S213 PolarHBondContact O-OG 3.08Å
211	L	70.3	Confident	88.1	Confident	186 Å²	186	70.9 Å²	70.9	97%	0.974	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	41	174.1	-62	166	0	0	0	113.4	S213	L211-S213 PolarHBondContact O-N 2.8Å
212	G	76.3	Confident	88.4	Confident	94 Å²	94	67.5 Å²	67.5	97%	0.969	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	-1.3	-178.7	0	0	0	0	0	115.2	A210	A210-G212 VanDerWaalsContact C-N 3.25Å; A210-G212 PolarHBondContact O-N 2.79Å
213	S	78.7	Confident	88.7	Confident	55 Å²	55	60 Å²	60	39%	0.385	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140	175.5	72.7	0	0	0	0	111.5	A210 L211 N215	A210-S213 PolarHBondContact N-O 3.38Å; A210-S213 PolarHBondContact O-N 3.47Å; A210-S213 PolarHBondContact O-OG 3.08Å; L211-S213 PolarHBondContact O-N 2.8Å; S213-N215 PolarHBondContact OG-ND2 3.19Å
214	K	84.8	Confident	89	Confident	121 Å²	121	60.4 Å²	60.4	53%	0.526	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	116.2	171.9	-64.5	-161.9	169.7	177.5	0	109.6	D209 F216	D209-K214 WeakPolarHBondContact OD1-CE 2.82Å; D209-K214 WeakPolarHBondContact OD1-CG 3.4Å; K214-F216 HydrophobicContact CB-CE1 4.45Å; K214-F216 HydrophobicContact CB-CE2 3.98Å; K214-F216 HydrophobicContact CB-CZ 3.8Å; K214-F216 HydrophobicContact CD-CZ 4.35Å
215	N	90.2	Very high	89.2	Confident	10 Å²	10	60.5 Å²	60.5	5%	0.053	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.8	172.6	-71.8	-75.6	0	0	0	109.6	F163 Q207 V208 S213 Y217	F163-N215 VanDerWaalsContact CD2-OD1 3.3Å; F163-N215 WeakPolarHBondContact CD2-OD1 3.28Å; Q207-N215 WeakPolarHBondContact CA-O 3.42Å; V208-N215 PolarHBondContact N-O 2.92Å; V208-N215 PolarHBondContact O-N 3.28Å; S213-N215 PolarHBondContact OG-ND2 3.19Å; N215-Y217 HydrophobicContact CB-CE2 3.56Å; N215-Y217 WeakPolarHBondContact O-CD2 3.36Å; N215-Y217 WeakPolarHBondContact O-CE2 3.29Å
216	F	92.1	Very high	89.2	Confident	87 Å²	87	58.9 Å²	58.9	38%	0.382	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.1	-179.3	-58.5	-75.6	0	0	0	110.8	Y159 I205 Q207 K214	Y159-F216 HydrophobicContact CD1-CB 4.48Å; I205-F216 HydrophobicContact CG2-CB 4.15Å; I205-F216 HydrophobicContact CG2-CD1 3.66Å; I205-F216 HydrophobicContact CG2-CG 4.34Å; Q207-F216 HydrophobicContact CB-CD1 4.4Å; K214-F216 HydrophobicContact CB-CE1 4.45Å; K214-F216 HydrophobicContact CB-CE2 3.98Å; K214-F216 HydrophobicContact CB-CZ 3.8Å; K214-F216 HydrophobicContact CD-CZ 4.35Å
217	Y	94.7	Very high	89.2	Confident	8 Å²	8	61.1 Å²	61.1	3%	0.031	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.6	-177.2	-56.6	-98.7	0	0	0	109.1	V156 N158 G165 F167 L206 V208 N215	V156-Y217 HydrophobicContact CB-CD1 4.04Å; V156-Y217 HydrophobicContact CG1-CD1 4.24Å; V156-Y217 VanDerWaalsContact O-CD1 3.3Å; V156-Y217 WeakPolarHBondContact O-CD1 3.17Å; V156-Y217 WeakPolarHBondContact O-CE1 3.42Å; N158-Y217 HydrophobicContact CB-CD1 3.66Å; N158-Y217 HydrophobicContact CB-CE1 3.44Å; N158-Y217 VanDerWaalsContact CB-CE1 3.44Å; N158-Y217 HydrophobicContact CB-CG 4.36Å; G165-Y217 VanDerWaalsContact CA-CE1 3.45Å; G165-Y217 PolarHBondContact N-OH 2.79Å; F167-Y217 HydrophobicContact CE2-CD1 4.34Å; F167-Y217 HydrophobicContact CE2-CD2 4.13Å; F167-Y217 AromaticContact CE2-CG 3.91Å; F167-Y217 HydrophobicContact CE2-CG 3.91Å; F167-Y217 AromaticContact CZ-CD2 3.52Å; F167-Y217 HydrophobicContact CZ-CD2 3.52Å; F167-Y217 HydrophobicContact CZ-CE2 4.08Å; F167-Y217 AromaticContact CZ-CG 3.77Å; F167-Y217 HydrophobicContact CZ-CG 3.77Å; L206-Y217 PolarHBondContact N-O 3.47Å; L206-Y217 PolarHBondContact O-N 2.97Å; V208-Y217 HydrophobicContact CB-CE2 4.15Å; V208-Y217 HydrophobicContact CG2-CD2 4.44Å; V208-Y217 HydrophobicContact CG2-CE2 3.89Å; N215-Y217 HydrophobicContact CB-CE2 3.56Å; N215-Y217 WeakPolarHBondContact O-CD2 3.36Å; N215-Y217 WeakPolarHBondContact O-CE2 3.29Å
218	I	94.2	Very high	89.3	Confident	73 Å²	73	61.4 Å²	61.4	37%	0.374	35%	0.345	S	S	.	.			trans	-134.7	136.6	176.9	-60.1	175.4	0	0	0	107	G138 I205 V220	G138-I218 WeakPolarHBondContact CA-O 3.36Å; I205-I218 HydrophobicContact CG1-CD1 4.1Å; I205-I218 HydrophobicContact CG1-CG1 4.1Å; I218-V220 HydrophobicContact CG2-CG2 4.37Å; I218-V220 PolarHBondContact O-N 3.19Å
219	L	96.5	Very high	89.5	Confident	5 Å²	5	62.5 Å²	62.5	3%	0.026	35%	0.347	C	S	.	.			trans	-79	114.8	178	-69	71.9	0	0	0	108.9	F140 L154 V196 K200 L206	F140-L219 HydrophobicContact CD1-CB 3.74Å; F140-L219 HydrophobicContact CD1-CD2 4.45Å; F140-L219 HydrophobicContact CD1-CG 4.07Å; F140-L219 HydrophobicContact CD2-CD2 4.29Å; F140-L219 HydrophobicContact CE1-CB 3.79Å; F140-L219 HydrophobicContact CE1-CD2 4.47Å; F140-L219 HydrophobicContact CE1-CG 4.39Å; F140-L219 HydrophobicContact CE2-CD2 4.32Å; F140-L219 HydrophobicContact CG-CB 4.34Å; F140-L219 HydrophobicContact CG-CD2 4.35Å; F140-L219 HydrophobicContact CG-CG 4.15Å; F140-L219 HydrophobicContact CZ-CB 4.42Å; F140-L219 HydrophobicContact CZ-CD2 4.37Å; L154-L219 HydrophobicContact CD1-CD2 4.33Å; L154-L219 HydrophobicContact CD2-CD1 4.03Å; L154-L219 HydrophobicContact CD2-CD2 3.89Å; L154-L219 HydrophobicContact CD2-CG 4.15Å; V196-L219 HydrophobicContact CG1-CD2 3.92Å; K200-L219 HydrophobicContact CB-CB 3.99Å; K200-L219 HydrophobicContact CB-CD2 4.39Å; K200-L219 HydrophobicContact CG-CB 4.4Å; L206-L219 HydrophobicContact CD1-CD1 3.84Å; L206-L219 HydrophobicContact CG-CD1 4.39Å
220	V	95.8	Very high	89.9	Confident	92 Å²	92	60 Å²	60	56%	0.558	33%	0.332	S	S	*	.			trans	-115.1	-54.6	-179.7	-179.8	0	0	0	0	110.3	G138 I218	G138-V220 PolarHBondContact O-N 2.86Å; I218-V220 HydrophobicContact CG2-CG2 4.37Å; I218-V220 PolarHBondContact O-N 3.19Å
221	R	96.2	Very high	90.8	Very high	97 Å²	97	58.3 Å²	58.3	37%	0.366	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.3	-171.9	-174.1	178.6	65.2	-169.5	3.6	112.4	K136 G138 D139 F140 V223	K136-R221 VanDerWaalsContact CD-NH1 3.34Å; K136-R221 VanDerWaalsContact CG-NH2 3.3Å; G138-R221 PolarHBondContact O-N 3.21Å; D139-R221 WeakPolarHBondContact CA-O 3.47Å; D139-R221 IonicContact OD1-CZ 2.85Å; D139-R221 IonicContact OD1-NE 2.98Å; D139-R221 PolarHBondContact OD1-NE 3.31Å; D139-R221 IonicContact OD1-NH2 3.61Å; D139-R221 PolarHBondContact OD1-NH2 3.25Å; D139-R221 IonicContact OD2-CZ 3.68Å; D139-R221 IonicContact OD2-NH2 3.55Å; D139-R221 PolarHBondContact OD2-NH2 3.48Å; F140-R221 WeakPolarHBondContact CD1-O 3.3Å; F140-R221 VanDerWaalsContact CE1-C 3.42Å; F140-R221 PolarHBondContact N-O 2.71Å; R221-V223 PolarHBondContact O-N 2.81Å
222	E	96.9	Very high	91.8	Very high	49 Å²	49	50.7 Å²	50.7	23%	0.229	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	124.3	172.7	-68.4	164.9	-154.2	0	0	110	F120 F140 Q197 K200 V224	F120-E222 HydrophobicContact CB-CB 4.08Å; F120-E222 HydrophobicContact CB-CG 4.46Å; F120-E222 HydrophobicContact CD1-CB 3.96Å; F120-E222 VanDerWaalsContact CD1-CD 3.46Å; F120-E222 HydrophobicContact CD1-CG 3.57Å; F120-E222 WeakPolarHBondContact CD1-OE2 3.38Å; F120-E222 HydrophobicContact CE1-CG 3.98Å; F120-E222 HydrophobicContact CG-CB 4.22Å; F120-E222 HydrophobicContact CG-CG 4.07Å; F140-E222 HydrophobicContact CE1-CG 3.93Å; F140-E222 HydrophobicContact CE2-CB 4.46Å; F140-E222 HydrophobicContact CE2-CG 3.64Å; F140-E222 HydrophobicContact CZ-CB 4.17Å; F140-E222 HydrophobicContact CZ-CG 3.19Å; Q197-E222 PolarHBondContact NE2-OE1 3.16Å; Q197-E222 VanDerWaalsContact NE2-OE1 3.15Å; K200-E222 IonicContact NZ-OE1 2.71Å; K200-E222 PolarHBondContact NZ-OE1 2.83Å; E222-V224 PolarHBondContact O-N 3.4Å
223	V	97.6	Very high	92.3	Very high	16 Å²	16	49.4 Å²	49.4	10%	0.097	25%	0.253	C	S	.	.			trans	-88.9	101.8	169.6	178.2	0	0	0	0	108.1	H122 R133 L134 D139 F140 L141 R221	H122-V223 PolarHBondContact NE2-O 3.3Å; R133-V223 HydrophobicContact CB-CG1 4.18Å; L134-V223 HydrophobicContact CD2-CB 4.49Å; L134-V223 HydrophobicContact CD2-CG2 3.92Å; D139-V223 HydrophobicContact CB-CG2 3.68Å; F140-V223 WeakPolarHBondContact O-CB 3.16Å; F140-V223 PolarHBondContact O-N 2.83Å; L141-V223 HydrophobicContact CB-CB 4.32Å; L141-V223 HydrophobicContact CD2-CB 4.43Å; L141-V223 HydrophobicContact CD2-CG1 4.35Å; R221-V223 PolarHBondContact O-N 2.81Å
224	V	96.2	Very high	92.7	Very high	40 Å²	40	51.8 Å²	51.8	24%	0.242	26%	0.257	C	S	.	.			trans	-67.2	141.1	-176	-176.8	0	0	0	0	111.1	S119 R133 E222 Y228 E229	S119-V224 CarbonylContact O-C 3.5Å; S119-V224 WeakPolarHBondContact O-CA 3.42Å; S119-V224 WeakPolarHBondContact O-CG1 3.28Å; R133-V224 PolarHBondContact NH2-O 2.86Å; E222-V224 PolarHBondContact O-N 3.4Å; V224-Y228 HydrophobicContact CG1-CD1 3.84Å; V224-Y228 HydrophobicContact CG1-CG 4.48Å; V224-E229 HydrophobicContact CG1-CB 3.98Å
225	N	94.9	Very high	92.7	Very high	14 Å²	14	46.2 Å²	46.2	8%	0.075	23%	0.234	C	C	.	.			trans	-61.4	130.6	172.2	-177.2	-44.2	0	0	0	109.8	S119 Y121 I227 Y228 E229	S119-N225 PolarHBondContact O-N 3.41Å; Y121-N225 WeakPolarHBondContact O-CB 3.36Å; Y121-N225 PolarHBondContact O-ND2 2.93Å; N225-I227 PolarHBondContact O-N 2.76Å; N225-I227 WeakPolarHBondContact OD1-CB 3.4Å; N225-I227 PolarHBondContact OD1-N 3.36Å; N225-Y228 WeakPolarHBondContact O-CA 3.19Å; N225-Y228 VanDerWaalsContact O-CB 3.32Å; N225-Y228 WeakPolarHBondContact O-CB 3.18Å; N225-Y228 PolarHBondContact O-N 3.38Å; N225-Y228 VanDerWaalsContact O-N 3.08Å; N225-E229 PolarHBondContact O-N 2.87Å
226	P	92.6	Very high	92.7	Very high	56 Å²	56	45.9 Å²	45.9	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-67.1	-30.9	-172.9	-10.8	27.8	0	0	0	111.2	R133 Y228 E229 Q230	R133-P226 VanDerWaalsContact CZ-CD 3.41Å; P226-Y228 VanDerWaalsContact C-N 3.34Å; P226-E229 PolarHBondContact O-N 3.09Å; P226-Q230 WeakPolarHBondContact O-CB 3.36Å; P226-Q230 PolarHBondContact O-N 3.28Å
227	I	91.6	Very high	92.5	Very high	46 Å²	46	46.7 Å²	46.7	24%	0.236	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-43.8	176.3	-60.8	178	0	0	0	109	N225 Q230 M231 P340	N225-I227 PolarHBondContact O-N 2.76Å; N225-I227 WeakPolarHBondContact OD1-CB 3.4Å; N225-I227 PolarHBondContact OD1-N 3.36Å; I227-Q230 PolarHBondContact O-N 2.84Å; I227-M231 PolarHBondContact O-N 2.78Å; I227-P340 HydrophobicContact CG2-CG 3.7Å
228	Y	92	Very high	92.1	Very high	47 Å²	47	47.7 Å²	47.7	18%	0.184	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-51	174.1	-171.9	-80.9	0	0	0	110.6	V224 N225 P226 Q230 M231 H232	V224-Y228 HydrophobicContact CG1-CD1 3.84Å; V224-Y228 HydrophobicContact CG1-CG 4.48Å; N225-Y228 WeakPolarHBondContact O-CA 3.19Å; N225-Y228 VanDerWaalsContact O-CB 3.32Å; N225-Y228 WeakPolarHBondContact O-CB 3.18Å; N225-Y228 PolarHBondContact O-N 3.38Å; N225-Y228 VanDerWaalsContact O-N 3.08Å; P226-Y228 VanDerWaalsContact C-N 3.34Å; Y228-Q230 VanDerWaalsContact C-N 3.33Å; Y228-Q230 PolarHBondContact O-N 2.78Å; Y228-M231 PolarHBondContact O-N 2.82Å; Y228-H232 HydrophobicContact CD1-CB 4.18Å; Y228-H232 AromaticContact CD1-CD2 3.83Å; Y228-H232 AromaticContact CD2-CD2 3.65Å; Y228-H232 AromaticContact CD2-NE2 3.99Å; Y228-H232 HydrophobicContact CE1-CB 3.91Å; Y228-H232 AromaticContact CE1-CD2 3.83Å; Y228-H232 AromaticContact CE1-CG 3.93Å; Y228-H232 AromaticContact CE2-CD2 3.67Å; Y228-H232 AromaticContact CE2-NE2 3.84Å; Y228-H232 AromaticContact CG-CD2 3.73Å; Y228-H232 AromaticContact CZ-CD2 3.76Å; Y228-H232 AromaticContact CZ-CG 3.99Å; Y228-H232 WeakPolarHBondContact O-CB 3.5Å; Y228-H232 PolarHBondContact O-CD2 3.08Å; Y228-H232 PolarHBondContact O-N 3.19Å
229	E	91.5	Very high	91.7	Very high	69 Å²	69	45.4 Å²	45.4	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-60.2	-41.8	179.5	-167.2	176.4	-147.2	0	0	112.3	V224 N225 P226 M231 S233 F234	V224-E229 HydrophobicContact CG1-CB 3.98Å; N225-E229 PolarHBondContact O-N 2.87Å; P226-E229 PolarHBondContact O-N 3.09Å; E229-M231 VanDerWaalsContact C-N 3.26Å; E229-M231 PolarHBondContact O-N 2.85Å; E229-S233 WeakPolarHBondContact O-CA 3.48Å; E229-S233 VanDerWaalsContact O-CB 3.29Å; E229-S233 WeakPolarHBondContact O-CB 3.37Å; E229-S233 PolarHBondContact O-N 3.14Å; E229-F234 HydrophobicContact CG-CD2 4.46Å; E229-F234 HydrophobicContact CG-CE1 3.96Å; E229-F234 HydrophobicContact CG-CE2 3.89Å; E229-F234 HydrophobicContact CG-CZ 3.6Å; E229-F234 PolarHBondContact O-N 3.01Å
230	Q	91.4	Very high	91.3	Very high	58 Å²	58	47.5 Å²	47.5	27%	0.271	25%	0.247	S	C	.	.	H	α-helix	trans	-61.3	-34.6	178.5	-178.4	177.9	19	0	0	112.7	P226 I227 Y228 K323	P226-Q230 WeakPolarHBondContact O-CB 3.36Å; P226-Q230 PolarHBondContact O-N 3.28Å; I227-Q230 PolarHBondContact O-N 2.84Å; Y228-Q230 VanDerWaalsContact C-N 3.33Å; Y228-Q230 PolarHBondContact O-N 2.78Å; Q230-K323 VanDerWaalsContact O-CE 3.28Å; Q230-K323 WeakPolarHBondContact O-CE 3.43Å; Q230-K323 PolarHBondContact O-NZ 2.94Å
231	M	92.7	Very high	90.9	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-92.9	-29.3	-177.4	-72.2	-60.4	173.8	0	0	113.8	I227 Y228 E229 F246 F266 K323 V326 P340	I227-M231 PolarHBondContact O-N 2.78Å; Y228-M231 PolarHBondContact O-N 2.82Å; E229-M231 VanDerWaalsContact C-N 3.26Å; E229-M231 PolarHBondContact O-N 2.85Å; M231-F246 HydrophobicContact CE-CD1 4.13Å; M231-F246 HydrophobicContact CE-CE1 3.75Å; M231-F246 HydrophobicContact CE-CZ 4.46Å; M231-F266 HydrophobicContact CE-CZ 4.19Å; M231-K323 HydrophobicContact SD-CG 3.88Å; M231-V326 HydrophobicContact CB-CB 4.46Å; M231-V326 HydrophobicContact CB-CG1 3.75Å; M231-V326 HydrophobicContact CG-CG1 4.27Å; M231-P340 HydrophobicContact CE-CB 3.72Å; M231-P340 HydrophobicContact CE-CG 3.41Å; M231-P340 VanDerWaalsContact CE-CG 3.41Å; M231-P340 HydrophobicContact CG-CG 4.23Å
232	H	90.1	Very high	90.5	Very high	27 Å²	27	39.5 Å²	39.5	13%	0.125	21%	0.207	C	C	.	.	H	α-helix	trans	-105.8	-33.2	-174.4	-67.8	-78.8	0	0	0	113.9	Y228 S371	Y228-H232 HydrophobicContact CD1-CB 4.18Å; Y228-H232 AromaticContact CD1-CD2 3.83Å; Y228-H232 AromaticContact CD2-CD2 3.65Å; Y228-H232 AromaticContact CD2-NE2 3.99Å; Y228-H232 HydrophobicContact CE1-CB 3.91Å; Y228-H232 AromaticContact CE1-CD2 3.83Å; Y228-H232 AromaticContact CE1-CG 3.93Å; Y228-H232 AromaticContact CE2-CD2 3.67Å; Y228-H232 AromaticContact CE2-NE2 3.84Å; Y228-H232 AromaticContact CG-CD2 3.73Å; Y228-H232 AromaticContact CZ-CD2 3.76Å; Y228-H232 AromaticContact CZ-CG 3.99Å; Y228-H232 WeakPolarHBondContact O-CB 3.5Å; Y228-H232 PolarHBondContact O-CD2 3.08Å; Y228-H232 PolarHBondContact O-N 3.19Å; H232-S371 WeakPolarHBondContact O-CB 3.49Å; H232-S371 PolarHBondContact O-OG 3.49Å
233	S	87.4	Confident	90.1	Very high	67 Å²	67	39.9 Å²	39.9	47%	0.469	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-42.5	-171.6	-53.6	0	0	0	0	112.7	E229	E229-S233 WeakPolarHBondContact O-CA 3.48Å; E229-S233 VanDerWaalsContact O-CB 3.29Å; E229-S233 WeakPolarHBondContact O-CB 3.37Å; E229-S233 PolarHBondContact O-N 3.14Å
234	F	86.4	Confident	89.7	Confident	105 Å²	105	39.2 Å²	39.2	46%	0.461	20%	0.204	S	C	.	.	S	Bend	trans	-89.9	125.1	-179.1	-56	-28.6	0	0	0	111.1	E229 K323	E229-F234 HydrophobicContact CG-CD2 4.46Å; E229-F234 HydrophobicContact CG-CE1 3.96Å; E229-F234 HydrophobicContact CG-CE2 3.89Å; E229-F234 HydrophobicContact CG-CZ 3.6Å; E229-F234 PolarHBondContact O-N 3.01Å; F234-K323 PolarHBondContact O-NZ 3.34Å
235	G	86.7	Confident	89.5	Confident	4 Å²	4	38.9 Å²	38.9	4%	0.041	20%	0.203	C	C	.	.			trans	-68.7	176.2	170	0	0	0	0	0	112.6	K323 K369	G235-K323 PolarHBondContact O-NZ 2.94Å; G235-K369 WeakPolarHBondContact CA-O 3.26Å; G235-K369 PolarHBondContact N-O 3.2Å
236	A	89.6	Confident	89.5	Confident	3 Å²	3	38.6 Å²	38.6	3%	0.025	20%	0.201	C	C	.	.			trans	-74.6	148.9	-176.7	0	0	0	0	0	111.5	E319 E320 K323 P368 K369	A236-E319 HydrophobicContact CB-CB 4.22Å; A236-E319 HydrophobicContact CB-CG 3.92Å; A236-E320 HydrophobicContact CB-CB 4.13Å; A236-E320 HydrophobicContact CB-CG 3.29Å; A236-K323 HydrophobicContact CB-CD 4.16Å; A236-P368 WeakPolarHBondContact O-CA 3.44Å; A236-K369 PolarHBondContact O-N 3.03Å
237	K	87.9	Confident	89.5	Confident	103 Å²	103	35.9 Å²	35.9	45%	0.448	18%	0.184	S	C	.	.			trans	-96.3	-2.7	173.7	-64.6	178.7	-178.7	-177.9	0	112.6	I239 E319 G366 P368	K237-I239 HydrophobicContact CB-CD1 4.47Å; K237-I239 HydrophobicContact CB-CG1 4.03Å; K237-E319 PolarHBondContact N-OE1 2.85Å; K237-E319 PolarHBondContact N-OE2 3.47Å; K237-G366 PolarHBondContact O-N 3.19Å; K237-P368 HydrophobicContact CG-CB 4.18Å; K237-P368 HydrophobicContact CG-CG 3.94Å
238	G	85.7	Confident	89.6	Confident	30 Å²	30	33.9 Å²	33.9	31%	0.309	17%	0.173	S	C	.	.			trans	77.4	28.2	-174.5	0	0	0	0	0	112.6	H240 E319	G238-H240 PolarHBondContact O-N 2.83Å; G238-E319 PolarHBondContact N-OE2 3.46Å
239	I	86.3	Confident	89.6	Confident	24 Å²	24	31.6 Å²	31.6	12%	0.123	16%	0.164	C	C	.	.			trans	-60.5	128.7	-178.2	-59.4	173.3	0	0	0	109.4	K237 H243 L244 E319	K237-I239 HydrophobicContact CB-CD1 4.47Å; K237-I239 HydrophobicContact CB-CG1 4.03Å; I239-H243 HydrophobicContact CG2-CB 3.73Å; I239-L244 HydrophobicContact CB-CD2 3.98Å; I239-L244 HydrophobicContact CG2-CD2 4.02Å; I239-L244 HydrophobicContact CG2-CG 4.5Å; I239-E319 WeakPolarHBondContact CG1-OE2 3.47Å; I239-E319 PolarHBondContact N-OE2 2.78Å
240	H	87.1	Confident	89.7	Confident	50 Å²	50	30.8 Å²	30.8	23%	0.231	16%	0.16	C	C	.	.			trans	-57.6	139.7	173.9	-172.2	-94.3	0	0	0	110.7	G238 T242 H243 L244 N297 A360 C363	G238-H240 PolarHBondContact O-N 2.83Å; H240-T242 PolarHBondContact ND1-N 2.7Å; H240-T242 PolarHBondContact ND1-OG1 2.87Å; H240-T242 PolarHBondContact O-N 3.12Å; H240-T242 VanDerWaalsContact O-N 3.09Å; H240-H243 PolarHBondContact O-N 3.2Å; H240-L244 PolarHBondContact O-N 2.9Å; H240-N297 PolarHBondContact NE2-OD1 3.49Å; H240-A360 HydrophobicContact CB-CB 4.15Å; H240-C363 HydrophobicContact CB-CB 4.36Å
241	W	88.7	Confident	89.8	Confident	17 Å²	17	28.5 Å²	28.5	6%	0.064	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-60	-29.4	-168.1	57.6	-93.1	0	0	0	113.8	H243 L244 Y247 H275 L277 P296 N297 V318	W241-H243 VanDerWaalsContact C-N 3.26Å; W241-H243 PolarHBondContact O-N 3.38Å; W241-L244 HydrophobicContact CB-CD1 4.24Å; W241-L244 WeakPolarHBondContact O-CB 3.5Å; W241-L244 PolarHBondContact O-N 2.83Å; W241-Y247 HydrophobicContact CE3-CE1 4.22Å; W241-Y247 HydrophobicContact CE3-CE2 4.27Å; W241-Y247 AromaticContact CZ3-CE1 3.85Å; W241-Y247 HydrophobicContact CZ3-CE1 3.85Å; W241-Y247 HydrophobicContact CZ3-CE2 4.18Å; W241-Y247 AromaticContact CZ3-CZ 3.6Å; W241-Y247 WeakPolarHBondContact CZ3-OH 3.41Å; W241-H275 HydrophobicContact CH2-CB 3.74Å; W241-H275 AromaticContact CH2-CG 3.76Å; W241-H275 HydrophobicContact CZ2-CB 4.3Å; W241-H275 HydrophobicContact CZ3-CB 4.34Å; W241-L277 HydrophobicContact CB-CD1 3.87Å; W241-L277 HydrophobicContact CD2-CD1 3.94Å; W241-L277 HydrophobicContact CD2-CD2 4.37Å; W241-L277 HydrophobicContact CE3-CD1 4.17Å; W241-L277 HydrophobicContact CE3-CD2 3.8Å; W241-L277 HydrophobicContact CG-CD1 3.8Å; W241-L277 HydrophobicContact CZ3-CD2 4.12Å; W241-P296 HydrophobicContact CZ2-CB 4.03Å; W241-P296 HydrophobicContact CZ2-CG 4.43Å; W241-N297 PolarHBondContact NE1-OD1 3.07Å; W241-V318 HydrophobicContact CB-CB 4.07Å; W241-V318 HydrophobicContact CB-CG1 4.46Å; W241-V318 HydrophobicContact CB-CG2 3.95Å
242	T	88	Confident	89.7	Confident	3 Å²	3	30.8 Å²	30.8	2%	0.018	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-64.4	-29	175.1	55	0	0	0	0	113.1	H240 R352	H240-T242 PolarHBondContact ND1-N 2.7Å; H240-T242 PolarHBondContact ND1-OG1 2.87Å; H240-T242 PolarHBondContact O-N 3.12Å; H240-T242 VanDerWaalsContact O-N 3.09Å; T242-R352 PolarHBondContact O-NH1 3.22Å
243	H	87.1	Confident	89.7	Confident	58 Å²	58	38.1 Å²	38.1	27%	0.269	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-92.5	-6.1	-178.3	-61	151.6	0	0	0	113.2	I239 H240 W241	I239-H243 HydrophobicContact CG2-CB 3.73Å; H240-H243 PolarHBondContact O-N 3.2Å; W241-H243 VanDerWaalsContact C-N 3.26Å; W241-H243 PolarHBondContact O-N 3.38Å
244	L	90.8	Very high	89.9	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.2	C	C	.	.			trans	-59.4	129.4	176.5	-69	174.4	0	0	0	110.1	I239 H240 W241 F246 Y247 L268 V318 E319	I239-L244 HydrophobicContact CB-CD2 3.98Å; I239-L244 HydrophobicContact CG2-CD2 4.02Å; I239-L244 HydrophobicContact CG2-CG 4.5Å; H240-L244 PolarHBondContact O-N 2.9Å; W241-L244 HydrophobicContact CB-CD1 4.24Å; W241-L244 WeakPolarHBondContact O-CB 3.5Å; W241-L244 PolarHBondContact O-N 2.83Å; L244-F246 HydrophobicContact CB-CE1 4.22Å; L244-F246 HydrophobicContact CB-CE2 4.31Å; L244-F246 HydrophobicContact CB-CZ 4.1Å; L244-F246 HydrophobicContact CD1-CE2 4.02Å; L244-F246 HydrophobicContact CD1-CZ 3.81Å; L244-F246 HydrophobicContact CD2-CE1 4.2Å; L244-F246 HydrophobicContact CD2-CZ 4.08Å; L244-F246 HydrophobicContact CG-CZ 4.22Å; L244-F246 PolarHBondContact O-N 3.16Å; L244-F246 VanDerWaalsContact O-N 3.11Å; L244-Y247 WeakPolarHBondContact O-CB 3.29Å; L244-Y247 PolarHBondContact O-N 2.96Å; L244-L268 HydrophobicContact CD1-CD2 3.96Å; L244-V318 HydrophobicContact CD1-CB 4.22Å; L244-V318 HydrophobicContact CD1-CG1 3.87Å; L244-E319 HydrophobicContact CD2-CB 3.89Å; L244-E319 HydrophobicContact CD2-CG 3.87Å
245	P	91	Very high	90.1	Very high	34 Å²	34	38.8 Å²	38.8	22%	0.221	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-32.5	-178.2	-29.8	36.8	0	0	0	113.6	N342 C343	P245-N342 HydrophobicContact CB-CB 4.48Å; P245-N342 VanDerWaalsContact CB-OD1 3.23Å; P245-N342 WeakPolarHBondContact CB-OD1 3.46Å; P245-N342 CarbonylContact O-C 3.57Å; P245-N342 WeakPolarHBondContact O-CA 3.49Å; P245-C343 PolarHBondContact O-N 3.12Å
246	F	94.4	Very high	90.4	Very high	7 Å²	7	38.6 Å²	38.6	3%	0.031	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	15.8	-178.4	55.9	-93.1	0	0	0	114.1	M231 L244 H248 F266 L268 V322 P340 V341	M231-F246 HydrophobicContact CE-CD1 4.13Å; M231-F246 HydrophobicContact CE-CE1 3.75Å; M231-F246 HydrophobicContact CE-CZ 4.46Å; L244-F246 HydrophobicContact CB-CE1 4.22Å; L244-F246 HydrophobicContact CB-CE2 4.31Å; L244-F246 HydrophobicContact CB-CZ 4.1Å; L244-F246 HydrophobicContact CD1-CE2 4.02Å; L244-F246 HydrophobicContact CD1-CZ 3.81Å; L244-F246 HydrophobicContact CD2-CE1 4.2Å; L244-F246 HydrophobicContact CD2-CZ 4.08Å; L244-F246 HydrophobicContact CG-CZ 4.22Å; L244-F246 PolarHBondContact O-N 3.16Å; L244-F246 VanDerWaalsContact O-N 3.11Å; F246-H248 PolarHBondContact O-CD2 3.06Å; F246-H248 VanDerWaalsContact O-CD2 3.31Å; F246-F266 HydrophobicContact CD2-CE2 4.11Å; F246-F266 HydrophobicContact CE2-CE2 4.27Å; F246-F266 HydrophobicContact CG-CE2 4.49Å; F246-L268 HydrophobicContact CD2-CB 3.86Å; F246-L268 HydrophobicContact CE2-CB 4.14Å; F246-L268 HydrophobicContact CE2-CD2 4.45Å; F246-L268 PolarHBondContact O-N 2.86Å; F246-V322 HydrophobicContact CE2-CG1 4.12Å; F246-V322 HydrophobicContact CE2-CG2 4.21Å; F246-V322 HydrophobicContact CZ-CB 4.28Å; F246-V322 HydrophobicContact CZ-CG1 3.91Å; F246-V322 HydrophobicContact CZ-CG2 4.4Å; F246-P340 HydrophobicContact CB-CB 3.72Å; F246-P340 HydrophobicContact CD1-CB 3.65Å; F246-P340 HydrophobicContact CG-CB 3.8Å; F246-V341 WeakPolarHBondContact CA-O 3.28Å; F246-V341 WeakPolarHBondContact CB-O 3.08Å
247	Y	93.6	Very high	90.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-84.2	125.1	169.1	178.6	-123.4	0	0	0	111	W241 L244 L268 A270 L277 C343 R352 C356	W241-Y247 HydrophobicContact CE3-CE1 4.22Å; W241-Y247 HydrophobicContact CE3-CE2 4.27Å; W241-Y247 AromaticContact CZ3-CE1 3.85Å; W241-Y247 HydrophobicContact CZ3-CE1 3.85Å; W241-Y247 HydrophobicContact CZ3-CE2 4.18Å; W241-Y247 AromaticContact CZ3-CZ 3.6Å; W241-Y247 WeakPolarHBondContact CZ3-OH 3.41Å; L244-Y247 WeakPolarHBondContact O-CB 3.29Å; L244-Y247 PolarHBondContact O-N 2.96Å; Y247-L268 HydrophobicContact CD2-CB 4.24Å; Y247-L268 HydrophobicContact CD2-CD2 3.93Å; Y247-L268 HydrophobicContact CD2-CG 3.95Å; Y247-L268 WeakPolarHBondContact CD2-O 3.47Å; Y247-L268 HydrophobicContact CG-CD2 4.44Å; Y247-A270 HydrophobicContact CE2-CB 4.41Å; Y247-L277 HydrophobicContact CD2-CD2 4.47Å; Y247-L277 HydrophobicContact CE2-CD2 3.89Å; Y247-C343 WeakPolarHBondContact O-CB 3.35Å; Y247-R352 HydrophobicContact CE1-CG 4.43Å; Y247-R352 PolarHBondContact O-NH2 3.29Å; Y247-C356 HydrophobicContact CE1-CB 4.18Å; Y247-C356 PolarHBondContact OH-SG 2.58Å
248	H	93.8	Very high	90.6	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.014	22%	0.219	C	C	.	.			trans	-112.6	7.2	-176.6	-72.2	-111.7	0	0	0	114	F246 L251 L268 L269 V341 C343	F246-H248 PolarHBondContact O-CD2 3.06Å; F246-H248 VanDerWaalsContact O-CD2 3.31Å; H248-L251 HydrophobicContact CB-CB 4.06Å; H248-L251 HydrophobicContact CB-CD2 4.04Å; H248-L268 PolarHBondContact N-O 3.42Å; H248-L269 HydrophobicContact CB-CD2 4.27Å; H248-V341 PolarHBondContact NE2-O 3.11Å; H248-C343 PolarHBondContact NE2-N 3.28Å
249	G	92.5	Very high	90.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	69	-143.3	-179.4	0	0	0	0	0	112.6	L251 L269 A270 Y351	G249-L251 PolarHBondContact O-N 3.33Å; G249-L269 WeakPolarHBondContact O-CA 3.25Å; G249-A270 PolarHBondContact O-N 2.81Å; G249-Y351 CarbonylContact C-O 3.59Å; G249-Y351 WeakPolarHBondContact CA-O 3.38Å
250	H	92.4	Very high	91.2	Very high	52 Å²	52	38.5 Å²	38.5	24%	0.241	20%	0.204	C	C	.	.	S	Bend	trans	-85.5	41.6	178.1	-56.5	-97.2	0	0	0	111.8	P252 N272 H275 Y351	H250-P252 VanDerWaalsContact O-CD 3.31Å; H250-P252 WeakPolarHBondContact O-CD 3.4Å; H250-N272 PolarHBondContact CE1-O 3.23Å; H250-H275 AromaticContact CE1-CE1 3.94Å; H250-H275 AromaticContact CE1-ND1 3.92Å; H250-H275 AromaticContact NE2-CE1 3.26Å; H250-H275 PolarHBondContact NE2-CE1 3.42Å; H250-H275 VanDerWaalsContact NE2-CE1 3.26Å; H250-H275 AromaticContact NE2-ND1 3.53Å; H250-Y351 PolarHBondContact N-O 2.85Å
251	L	92.8	Very high	91.4	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.052	22%	0.219	C	C	.	.			trans	-57	122.8	-179.9	178.1	69.5	0	0	0	110	H248 G249 Q255 L256 R259 L267 L269 Y351	H248-L251 HydrophobicContact CB-CB 4.06Å; H248-L251 HydrophobicContact CB-CD2 4.04Å; G249-L251 PolarHBondContact O-N 3.33Å; L251-Q255 HydrophobicContact CD1-CB 3.87Å; L251-Q255 HydrophobicContact CG-CB 4.39Å; L251-L256 HydrophobicContact CD2-CD2 3.72Å; L251-L256 HydrophobicContact CG-CD2 4.34Å; L251-R259 HydrophobicContact CD2-CG 4.27Å; L251-L267 HydrophobicContact CD2-CD2 4.04Å; L251-L269 HydrophobicContact CB-CD2 3.69Å; L251-L269 HydrophobicContact CD2-CD2 4.39Å; L251-Y351 HydrophobicContact CB-CD2 4.45Å; L251-Y351 HydrophobicContact CB-CG 4.48Å; L251-Y351 HydrophobicContact CD1-CD2 3.49Å; L251-Y351 VanDerWaalsContact CD1-CD2 3.49Å; L251-Y351 HydrophobicContact CD1-CE2 3.39Å; L251-Y351 HydrophobicContact CD1-CG 4.12Å
252	P	90.9	Very high	91.6	Very high	48 Å²	48	43.6 Å²	43.6	31%	0.312	23%	0.226	S	C	.	.			trans	-59.6	147.1	178.6	-28.3	37.9	0	0	0	113	H250 D254 Q255 Y351	H250-P252 VanDerWaalsContact O-CD 3.31Å; H250-P252 WeakPolarHBondContact O-CD 3.4Å; P252-D254 VanDerWaalsContact C-N 3.31Å; P252-D254 WeakPolarHBondContact CB-OD1 3.33Å; P252-D254 PolarHBondContact O-N 3.48Å; P252-Q255 PolarHBondContact O-N 3.14Å; P252-Q255 VanDerWaalsContact O-N 3.11Å; P252-Y351 HydrophobicContact CG-CD1 4.45Å; P252-Y351 HydrophobicContact CG-CE1 4.2Å
253	R	90.5	Very high	91.7	Very high	182 Å²	182	44.4 Å²	44.4	69%	0.687	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-63	-36.3	-173	-173.8	-179.8	178.5	-174.8	-2.5	112.9	Q255 L256	R253-Q255 PolarHBondContact O-N 3.12Å; R253-L256 HydrophobicContact CB-CD1 4.39Å; R253-L256 HydrophobicContact CG-CD1 3.98Å; R253-L256 WeakPolarHBondContact O-CB 3.31Å; R253-L256 WeakPolarHBondContact O-CG 3.43Å; R253-L256 PolarHBondContact O-N 3.4Å
254	D	90.8	Very high	92	Very high	122 Å²	122	41.7 Å²	41.7	65%	0.652	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-63	-23.1	177.2	58	-52.3	0	0	0	113.1	P252 S257	P252-D254 VanDerWaalsContact C-N 3.31Å; P252-D254 WeakPolarHBondContact CB-OD1 3.33Å; P252-D254 PolarHBondContact O-N 3.48Å; D254-S257 PolarHBondContact O-OG 3.22Å
255	Q	92	Very high	92.2	Very high	63 Å²	63	41.8 Å²	41.8	29%	0.294	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-90.2	-6.1	177.5	-65.4	-168.1	35.5	0	0	114.4	L251 P252 R253 S257 G258 R259 Y351	L251-Q255 HydrophobicContact CD1-CB 3.87Å; L251-Q255 HydrophobicContact CG-CB 4.39Å; P252-Q255 PolarHBondContact O-N 3.14Å; P252-Q255 VanDerWaalsContact O-N 3.11Å; R253-Q255 PolarHBondContact O-N 3.12Å; Q255-S257 VanDerWaalsContact C-N 3.32Å; Q255-S257 PolarHBondContact O-N 2.91Å; Q255-G258 PolarHBondContact O-N 2.93Å; Q255-R259 WeakPolarHBondContact O-CG 3.41Å; Q255-Y351 PolarHBondContact NE2-OH 3.1Å; Q255-Y351 VanDerWaalsContact OE1-CZ 3.31Å; Q255-Y351 PolarHBondContact OE1-OH 2.86Å
256	L	93.1	Very high	92.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.208	C	C	.	.	S	Bend	trans	-66.8	-35.4	-178.7	-64.7	173	0	0	0	112.4	L251 R253 G258 R259 L260 L267 L269 I287 I289	L251-L256 HydrophobicContact CD2-CD2 3.72Å; L251-L256 HydrophobicContact CG-CD2 4.34Å; R253-L256 HydrophobicContact CB-CD1 4.39Å; R253-L256 HydrophobicContact CG-CD1 3.98Å; R253-L256 WeakPolarHBondContact O-CB 3.31Å; R253-L256 WeakPolarHBondContact O-CG 3.43Å; R253-L256 PolarHBondContact O-N 3.4Å; L256-G258 VanDerWaalsContact C-N 3.26Å; L256-G258 PolarHBondContact O-N 3.19Å; L256-R259 PolarHBondContact O-N 3.44Å; L256-L260 HydrophobicContact CB-CD1 4.37Å; L256-L260 PolarHBondContact O-N 3.14Å; L256-L267 HydrophobicContact CD2-CD1 3.84Å; L256-L267 HydrophobicContact CD2-CD2 3.97Å; L256-L267 HydrophobicContact CD2-CG 4.38Å; L256-L269 HydrophobicContact CD1-CD1 4.44Å; L256-L269 HydrophobicContact CD2-CD1 4.08Å; L256-L269 HydrophobicContact CD2-CD2 4.3Å; L256-I287 HydrophobicContact CB-CG2 3.7Å; L256-I287 HydrophobicContact CD1-CG2 3.73Å; L256-I287 HydrophobicContact CG-CG2 4.36Å; L256-I289 HydrophobicContact CD1-CD1 3.6Å; L256-I289 HydrophobicContact CD1-CG1 4.49Å
257	S	90.8	Very high	92.7	Very high	71 Å²	71	39.9 Å²	39.9	50%	0.497	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.6	178.9	52.6	0	0	0	0	112.6	D254 Q255 R259	D254-S257 PolarHBondContact O-OG 3.22Å; Q255-S257 VanDerWaalsContact C-N 3.32Å; Q255-S257 PolarHBondContact O-N 2.91Å; S257-R259 VanDerWaalsContact C-N 3.27Å; S257-R259 PolarHBondContact O-N 2.8Å
258	G	89.5	Confident	92.8	Very high	56 Å²	56	39.9 Å²	39.9	58%	0.577	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	5.3	175.5	0	0	0	0	0	114.7	Q255 L256	Q255-G258 PolarHBondContact O-N 2.93Å; L256-G258 VanDerWaalsContact C-N 3.26Å; L256-G258 PolarHBondContact O-N 3.19Å
259	R	91.4	Very high	92.9	Very high	30 Å²	30	40.3 Å²	40.3	11%	0.113	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-33.3	178.1	-61.4	-62	-172.4	130.7	10.6	112.9	L251 Q255 L256 S257 L267 V341	L251-R259 HydrophobicContact CD2-CG 4.27Å; Q255-R259 WeakPolarHBondContact O-CG 3.41Å; L256-R259 PolarHBondContact O-N 3.44Å; S257-R259 VanDerWaalsContact C-N 3.27Å; S257-R259 PolarHBondContact O-N 2.8Å; R259-L267 HydrophobicContact CB-CD2 4.18Å; R259-V341 WeakPolarHBondContact O-CG1 3.3Å
260	L	94.9	Very high	92.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.			trans	-102	97.5	-178.6	-57	173.8	0	0	0	107.1	L256 D265 L267 R282 I287 V341	L256-L260 HydrophobicContact CB-CD1 4.37Å; L256-L260 PolarHBondContact O-N 3.14Å; L260-D265 HydrophobicContact CB-CB 4.35Å; L260-D265 HydrophobicContact CD2-CB 3.91Å; L260-L267 HydrophobicContact CD1-CD2 4.43Å; L260-L267 HydrophobicContact CD1-CG 4.4Å; L260-L267 HydrophobicContact CD2-CB 4.49Å; L260-L267 HydrophobicContact CD2-CD2 3.89Å; L260-L267 HydrophobicContact CD2-CG 3.95Å; L260-L267 HydrophobicContact CG-CD2 4.12Å; L260-L267 HydrophobicContact CG-CG 4.44Å; L260-R282 HydrophobicContact CB-CB 3.72Å; L260-R282 WeakPolarHBondContact O-CD 3.32Å; L260-R282 PolarHBondContact O-NH1 3.4Å; L260-R282 VanDerWaalsContact O-NH1 3.12Å; L260-I287 HydrophobicContact CB-CD1 3.83Å; L260-I287 HydrophobicContact CD1-CD1 4.04Å; L260-I287 HydrophobicContact CD1-CG2 4.2Å; L260-V341 HydrophobicContact CD2-CB 4.35Å; L260-V341 HydrophobicContact CD2-CG2 3.8Å
261	E	91.1	Very high	92.8	Very high	118 Å²	118	41 Å²	41	55%	0.551	22%	0.223	S	C	*	.			trans	-95.8	-32.3	-171.9	-67.5	175.9	-178.3	0	0	111.2	D265 R282	E261-D265 PolarHBondContact N-OD2 2.63Å; E261-R282 PolarHBondContact O-NE 2.72Å
262	R	91.6	Very high	92.5	Very high	57 Å²	57	43.1 Å²	43.1	22%	0.215	24%	0.235	C	C	.	.	S	Bend	trans	-112.9	150.4	-172.8	-54.5	173	-65.6	-177.5	4.4	112.5	G264 D265 R282 V566 H567	R262-G264 PolarHBondContact O-N 3.43Å; R262-D265 WeakPolarHBondContact CB-OD2 3.45Å; R262-D265 IonicContact CZ-OD1 2.69Å; R262-D265 VanDerWaalsContact CZ-OD1 3.3Å; R262-D265 PolarHBondContact N-OD2 3.34Å; R262-D265 IonicContact NE-OD1 3.35Å; R262-D265 PolarHBondContact NE-OD1 3.17Å; R262-D265 IonicContact NE-OD2 3.16Å; R262-D265 PolarHBondContact NE-OD2 3.11Å; R262-D265 IonicContact NH2-OD1 2.77Å; R262-D265 PolarHBondContact NH2-OD1 2.76Å; R262-D265 IonicContact NH2-OD2 2.62Å; R262-D265 VanDerWaalsContact O-CB 3.25Å; R262-D265 WeakPolarHBondContact O-CB 3.45Å; R262-D265 PolarHBondContact O-N 2.81Å; R262-R282 WeakPolarHBondContact O-CB 3.27Å; R262-V566 WeakPolarHBondContact CA-O 3.49Å; R262-V566 HydrophobicContact CB-CG1 3.7Å; R262-V566 HydrophobicContact CG-CG1 4.31Å; R262-H567 HydrophobicContact CG-CB 4.05Å
263	N	91.3	Very high	92.1	Very high	20 Å²	20	47.4 Å²	47.4	11%	0.107	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	126	173.4	-79.6	-35.5	0	0	0	110.5	D265 D284 D285 W339 V566	N263-D265 VanDerWaalsContact C-N 3.33Å; N263-D284 PolarHBondContact OD1-N 3.29Å; N263-D285 PolarHBondContact OD1-N 2.72Å; N263-W339 WeakPolarHBondContact O-CZ3 3.39Å; N263-V566 PolarHBondContact N-O 3.43Å
264	G	93	Very high	91.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-4.9	-175.3	0	0	0	0	0	114.5	R262 F266 R282 K338 W339	R262-G264 PolarHBondContact O-N 3.43Å; G264-F266 PolarHBondContact O-N 2.67Å; G264-R282 PolarHBondContact N-O 2.99Å; G264-K338 PolarHBondContact O-N 2.75Å; G264-W339 PolarHBondContact O-N 2.85Å; G264-W339 VanDerWaalsContact O-N 3.13Å
265	D	95.6	Very high	91.7	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	135.6	163.9	-82.1	-16.8	0	0	0	109.1	L260 E261 R262 N263 V281 R282 W339 V341	L260-D265 HydrophobicContact CB-CB 4.35Å; L260-D265 HydrophobicContact CD2-CB 3.91Å; E261-D265 PolarHBondContact N-OD2 2.63Å; R262-D265 WeakPolarHBondContact CB-OD2 3.45Å; R262-D265 IonicContact CZ-OD1 2.69Å; R262-D265 VanDerWaalsContact CZ-OD1 3.3Å; R262-D265 PolarHBondContact N-OD2 3.34Å; R262-D265 IonicContact NE-OD1 3.35Å; R262-D265 PolarHBondContact NE-OD1 3.17Å; R262-D265 IonicContact NE-OD2 3.16Å; R262-D265 PolarHBondContact NE-OD2 3.11Å; R262-D265 IonicContact NH2-OD1 2.77Å; R262-D265 PolarHBondContact NH2-OD1 2.76Å; R262-D265 IonicContact NH2-OD2 2.62Å; R262-D265 VanDerWaalsContact O-CB 3.25Å; R262-D265 WeakPolarHBondContact O-CB 3.45Å; R262-D265 PolarHBondContact O-N 2.81Å; N263-D265 VanDerWaalsContact C-N 3.33Å; D265-V281 CarbonylContact O-C 3.6Å; D265-V281 VanDerWaalsContact O-CA 3.27Å; D265-V281 WeakPolarHBondContact O-CA 3.49Å; D265-V281 WeakPolarHBondContact O-CG2 3.3Å; D265-R282 PolarHBondContact O-N 2.91Å; D265-W339 CarbonylContact C-O 3.59Å; D265-W339 WeakPolarHBondContact CA-O 3.36Å; D265-W339 WeakPolarHBondContact OD1-CB 3.38Å; D265-V341 HydrophobicContact CB-CG2 3.8Å
266	F	97.4	Very high	91.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	159.7	179.5	73.8	-90.6	0	0	0	113.3	M231 F246 G264 L279 G280 V281 V322 V326 L337 W339 P340 V341	M231-F266 HydrophobicContact CE-CZ 4.19Å; F246-F266 HydrophobicContact CD2-CE2 4.11Å; F246-F266 HydrophobicContact CE2-CE2 4.27Å; F246-F266 HydrophobicContact CG-CE2 4.49Å; G264-F266 PolarHBondContact O-N 2.67Å; F266-L279 HydrophobicContact CD2-CD2 4.14Å; F266-G280 CarbonylContact C-O 3.59Å; F266-G280 WeakPolarHBondContact CA-O 3.19Å; F266-G280 WeakPolarHBondContact CB-O 3.44Å; F266-V281 HydrophobicContact CB-CB 4.21Å; F266-V281 HydrophobicContact CB-CG2 4.27Å; F266-V322 HydrophobicContact CE2-CG1 3.6Å; F266-V322 HydrophobicContact CZ-CG1 3.68Å; F266-V326 HydrophobicContact CE1-CG2 3.79Å; F266-V326 HydrophobicContact CZ-CG2 3.89Å; F266-L337 HydrophobicContact CB-CD2 3.77Å; F266-L337 HydrophobicContact CD1-CB 3.75Å; F266-L337 HydrophobicContact CD1-CD2 4.34Å; F266-L337 HydrophobicContact CD1-CG 4.5Å; F266-L337 HydrophobicContact CE1-CB 3.99Å; F266-L337 HydrophobicContact CG-CB 4.23Å; F266-L337 HydrophobicContact CG-CD2 4.04Å; F266-W339 VanDerWaalsContact CD1-C 3.45Å; F266-W339 VanDerWaalsContact CD1-O 3.23Å; F266-W339 WeakPolarHBondContact CD1-O 3.3Å; F266-W339 PolarHBondContact N-O 3.46Å; F266-P340 HydrophobicContact CE1-CB 4.3Å; F266-P340 VanDerWaalsContact CE1-N 3.31Å; F266-P340 HydrophobicContact CE2-CB 4.16Å; F266-P340 HydrophobicContact CZ-CB 3.83Å; F266-P340 HydrophobicContact CZ-CG 4.47Å; F266-P340 CarbonylContact O-C 3.56Å; F266-V341 PolarHBondContact O-N 3.23Å
267	L	97	Very high	91.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.3	174.4	56.3	74.4	0	0	0	111.4	L251 L256 R259 L260 L269 L279 G280	L251-L267 HydrophobicContact CD2-CD2 4.04Å; L256-L267 HydrophobicContact CD2-CD1 3.84Å; L256-L267 HydrophobicContact CD2-CD2 3.97Å; L256-L267 HydrophobicContact CD2-CG 4.38Å; R259-L267 HydrophobicContact CB-CD2 4.18Å; L260-L267 HydrophobicContact CD1-CD2 4.43Å; L260-L267 HydrophobicContact CD1-CG 4.4Å; L260-L267 HydrophobicContact CD2-CB 4.49Å; L260-L267 HydrophobicContact CD2-CD2 3.89Å; L260-L267 HydrophobicContact CD2-CG 3.95Å; L260-L267 HydrophobicContact CG-CD2 4.12Å; L260-L267 HydrophobicContact CG-CG 4.44Å; L267-L269 HydrophobicContact CD1-CD1 3.75Å; L267-L269 HydrophobicContact CD1-CD2 3.36Å; L267-L269 HydrophobicContact CD1-CG 3.32Å; L267-L279 WeakPolarHBondContact O-CA 3.12Å; L267-G280 PolarHBondContact N-O 3.34Å; L267-G280 PolarHBondContact O-N 2.88Å
268	L	96.4	Very high	92	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	131.3	178.9	-175.4	74.1	0	0	0	110	L244 F246 Y247 H248 L277 L279 L294 V318	L244-L268 HydrophobicContact CD1-CD2 3.96Å; F246-L268 HydrophobicContact CD2-CB 3.86Å; F246-L268 HydrophobicContact CE2-CB 4.14Å; F246-L268 HydrophobicContact CE2-CD2 4.45Å; F246-L268 PolarHBondContact O-N 2.86Å; Y247-L268 HydrophobicContact CD2-CB 4.24Å; Y247-L268 HydrophobicContact CD2-CD2 3.93Å; Y247-L268 HydrophobicContact CD2-CG 3.95Å; Y247-L268 WeakPolarHBondContact CD2-O 3.47Å; Y247-L268 HydrophobicContact CG-CD2 4.44Å; H248-L268 PolarHBondContact N-O 3.42Å; L268-L277 HydrophobicContact CD1-CB 3.99Å; L268-L277 HydrophobicContact CD2-CD1 4.33Å; L268-L277 HydrophobicContact CD2-CD2 4.5Å; L268-L277 HydrophobicContact CG-CD2 4.41Å; L268-L279 HydrophobicContact CB-CD2 4.48Å; L268-L279 HydrophobicContact CD1-CD2 3.92Å; L268-L279 HydrophobicContact CD1-CG 4.4Å; L268-L294 HydrophobicContact CD1-CD1 4.49Å; L268-V318 HydrophobicContact CD1-CG1 4.27Å; L268-V318 HydrophobicContact CD2-CG1 3.95Å
269	L	95	Very high	92.4	Very high	13 Å²	13	35 Å²	35	7%	0.068	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	149.8	-174.8	-62.7	168.8	0	0	0	111.2	H248 G249 L251 L256 L267 L277 R278 I289	H248-L269 HydrophobicContact CB-CD2 4.27Å; G249-L269 WeakPolarHBondContact O-CA 3.25Å; L251-L269 HydrophobicContact CB-CD2 3.69Å; L251-L269 HydrophobicContact CD2-CD2 4.39Å; L256-L269 HydrophobicContact CD1-CD1 4.44Å; L256-L269 HydrophobicContact CD2-CD1 4.08Å; L256-L269 HydrophobicContact CD2-CD2 4.3Å; L267-L269 HydrophobicContact CD1-CD1 3.75Å; L267-L269 HydrophobicContact CD1-CD2 3.36Å; L267-L269 HydrophobicContact CD1-CG 3.32Å; L269-L277 CarbonylContact O-C 3.54Å; L269-L277 VanDerWaalsContact O-CA 3.27Å; L269-L277 WeakPolarHBondContact O-CA 3.49Å; L269-R278 PolarHBondContact N-O 3.49Å; L269-R278 PolarHBondContact O-N 3.42Å; L269-I289 HydrophobicContact CD1-CD1 3.59Å
270	A	93.3	Very high	92.7	Very high	8 Å²	8	33.6 Å²	33.6	7%	0.066	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	121	159.1	0	0	0	0	0	109	Y247 G249	Y247-A270 HydrophobicContact CE2-CB 4.41Å; G249-A270 PolarHBondContact O-N 2.81Å
271	A	89.8	Confident	92.8	Very high	57 Å²	57	33.6 Å²	33.6	47%	0.471	17%	0.173	S	C	.	.			trans	-83.7	-17.1	-177.7	0	0	0	0	0	113.9	L276 R278	A271-L276 VanDerWaalsContact CB-O 3.23Å; A271-L276 WeakPolarHBondContact CB-O 3.21Å; A271-L276 PolarHBondContact N-O 2.86Å; A271-R278 HydrophobicContact CB-CG 3.63Å
272	N	87	Confident	92.9	Very high	56 Å²	56	30.4 Å²	30.4	30%	0.299	16%	0.155	S	C	.	.	S	Bend	trans	-157.6	176.7	-179	64.4	4.4	0	0	0	110.1	H250 Q274 H275 L276	H250-N272 PolarHBondContact CE1-O 3.23Å; N272-Q274 PolarHBondContact O-N 3.49Å; N272-Q274 PolarHBondContact OD1-N 3.11Å; N272-H275 WeakPolarHBondContact O-CA 3.15Å; N272-H275 PolarHBondContact O-N 3.08Å; N272-H275 PolarHBondContact OD1-N 2.88Å; N272-L276 VanDerWaalsContact OD1-CB 3.28Å; N272-L276 WeakPolarHBondContact OD1-CB 3.17Å; N272-L276 PolarHBondContact OD1-N 2.66Å
273	D	83.5	Confident	93	Very high	138 Å²	138	27.8 Å²	27.8	74%	0.738	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-16	-179.4	-54.5	-29	0	0	0	113.4	H275	D273-H275 PolarHBondContact O-N 2.86Å
274	Q	84.9	Confident	92.8	Very high	162 Å²	162	29.4 Å²	29.4	76%	0.757	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	11.9	170.6	-63	177.8	-17.8	0	0	112.7	N272 L276	N272-Q274 PolarHBondContact O-N 3.49Å; N272-Q274 PolarHBondContact OD1-N 3.11Å; Q274-L276 PolarHBondContact O-N 2.77Å; Q274-L276 VanDerWaalsContact O-N 3.11Å
275	H	86.9	Confident	92.4	Very high	9 Å²	9	34.5 Å²	34.5	4%	0.042	18%	0.182	C	C	.	.			trans	55	27.4	-179.1	-64	-51.2	0	0	0	115.5	W241 H250 N272 D273 L277 P296 C353 E355 C356	W241-H275 HydrophobicContact CH2-CB 3.74Å; W241-H275 AromaticContact CH2-CG 3.76Å; W241-H275 HydrophobicContact CZ2-CB 4.3Å; W241-H275 HydrophobicContact CZ3-CB 4.34Å; H250-H275 AromaticContact CE1-CE1 3.94Å; H250-H275 AromaticContact CE1-ND1 3.92Å; H250-H275 AromaticContact NE2-CE1 3.26Å; H250-H275 PolarHBondContact NE2-CE1 3.42Å; H250-H275 VanDerWaalsContact NE2-CE1 3.26Å; H250-H275 AromaticContact NE2-ND1 3.53Å; N272-H275 WeakPolarHBondContact O-CA 3.15Å; N272-H275 PolarHBondContact O-N 3.08Å; N272-H275 PolarHBondContact OD1-N 2.88Å; D273-H275 PolarHBondContact O-N 2.86Å; H275-L277 WeakPolarHBondContact O-CD2 3.15Å; H275-L277 VanDerWaalsContact O-CG 3.28Å; H275-L277 WeakPolarHBondContact O-CG 3.39Å; H275-L277 PolarHBondContact O-N 3.13Å; H275-P296 HydrophobicContact CB-CG 3.92Å; H275-P296 WeakPolarHBondContact O-CG 2.99Å; H275-C353 PolarHBondContact CE1-SG 3.13Å; H275-C353 PolarHBondContact NE2-SG 2.93Å; H275-C353 VanDerWaalsContact NE2-SG 3.39Å; H275-E355 IonicContact CD2-OE2 3.3Å; H275-E355 VanDerWaalsContact NE2-CB 3.35Å; H275-E355 WeakPolarHBondContact NE2-CB 3.34Å; H275-E355 IonicContact NE2-OE2 3.99Å; H275-C356 PolarHBondContact CE1-SG 2.94Å
276	L	92.5	Very high	92.1	Very high	31 Å²	31	37.2 Å²	37.2	16%	0.162	20%	0.198	C	C	.	.			trans	-58.3	114.7	177	-176.6	66.7	0	0	0	110	A271 N272 Q274 K293 Q295	A271-L276 VanDerWaalsContact CB-O 3.23Å; A271-L276 WeakPolarHBondContact CB-O 3.21Å; A271-L276 PolarHBondContact N-O 2.86Å; N272-L276 VanDerWaalsContact OD1-CB 3.28Å; N272-L276 WeakPolarHBondContact OD1-CB 3.17Å; N272-L276 PolarHBondContact OD1-N 2.66Å; Q274-L276 PolarHBondContact O-N 2.77Å; Q274-L276 VanDerWaalsContact O-N 3.11Å; L276-K293 HydrophobicContact CD1-CB 4.21Å; L276-K293 HydrophobicContact CD2-CD 4.21Å; L276-Q295 HydrophobicContact CD1-CG 3.89Å
277	L	95	Very high	92	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	140.5	-167.7	-56.1	169.8	0	0	0	111.4	W241 Y247 L268 L269 H275 L294 P296 V318	W241-L277 HydrophobicContact CB-CD1 3.87Å; W241-L277 HydrophobicContact CD2-CD1 3.94Å; W241-L277 HydrophobicContact CD2-CD2 4.37Å; W241-L277 HydrophobicContact CE3-CD1 4.17Å; W241-L277 HydrophobicContact CE3-CD2 3.8Å; W241-L277 HydrophobicContact CG-CD1 3.8Å; W241-L277 HydrophobicContact CZ3-CD2 4.12Å; Y247-L277 HydrophobicContact CD2-CD2 4.47Å; Y247-L277 HydrophobicContact CE2-CD2 3.89Å; L268-L277 HydrophobicContact CD1-CB 3.99Å; L268-L277 HydrophobicContact CD2-CD1 4.33Å; L268-L277 HydrophobicContact CD2-CD2 4.5Å; L268-L277 HydrophobicContact CG-CD2 4.41Å; L269-L277 CarbonylContact O-C 3.54Å; L269-L277 VanDerWaalsContact O-CA 3.27Å; L269-L277 WeakPolarHBondContact O-CA 3.49Å; H275-L277 WeakPolarHBondContact O-CD2 3.15Å; H275-L277 VanDerWaalsContact O-CG 3.28Å; H275-L277 WeakPolarHBondContact O-CG 3.39Å; H275-L277 PolarHBondContact O-N 3.13Å; L277-L294 HydrophobicContact CB-CB 3.97Å; L277-L294 VanDerWaalsContact CB-O 3.31Å; L277-L294 WeakPolarHBondContact CB-O 3.43Å; L277-L294 PolarHBondContact N-O 3.34Å; L277-L294 PolarHBondContact O-N 3.38Å; L277-L294 VanDerWaalsContact O-N 3.13Å; L277-P296 HydrophobicContact CD1-CG 4.5Å; L277-P296 HydrophobicContact CG-CG 4.19Å; L277-V318 HydrophobicContact CD1-CG1 4.47Å; L277-V318 HydrophobicContact CD1-CG2 3.79Å
278	R	95.8	Very high	91.9	Very high	33 Å²	33	42.7 Å²	42.7	13%	0.125	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	155.4	177	-70.8	-71.5	-176.9	-72.3	-13.4	110	L269 A271 I289 L290 I292 K293	L269-R278 PolarHBondContact N-O 3.49Å; L269-R278 PolarHBondContact O-N 3.42Å; A271-R278 HydrophobicContact CB-CG 3.63Å; R278-I289 HydrophobicContact CB-CG2 3.95Å; R278-I289 HydrophobicContact CG-CG2 4.17Å; R278-L290 WeakPolarHBondContact CD-O 3.47Å; R278-I292 VanDerWaalsContact CD-O 3.25Å; R278-I292 WeakPolarHBondContact CD-O 3.14Å; R278-K293 VanDerWaalsContact CZ-CG 3.43Å; R278-K293 VanDerWaalsContact NH1-CG 3.27Å; R278-K293 VanDerWaalsContact NH2-CE 3.25Å
279	L	97.2	Very high	91.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124	173.2	-69.8	162	0	0	0	108.8	F266 L267 L268 L290 I292 V322 L337	F266-L279 HydrophobicContact CD2-CD2 4.14Å; L267-L279 WeakPolarHBondContact O-CA 3.12Å; L268-L279 HydrophobicContact CB-CD2 4.48Å; L268-L279 HydrophobicContact CD1-CD2 3.92Å; L268-L279 HydrophobicContact CD1-CG 4.4Å; L279-L290 HydrophobicContact CB-CB 4.38Å; L279-L290 HydrophobicContact CB-CD1 3.95Å; L279-L290 HydrophobicContact CB-CG 4.26Å; L279-L290 HydrophobicContact CD1-CD1 4.46Å; L279-L290 PolarHBondContact O-N 3.12Å; L279-I292 HydrophobicContact CD1-CG2 4.18Å; L279-V322 HydrophobicContact CD2-CG2 4.34Å; L279-L337 HydrophobicContact CD1-CD1 3.81Å
280	G	97.1	Very high	91.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134.5	167.3	0	0	0	0	0	109.2	F266 L267 R288	F266-G280 CarbonylContact C-O 3.59Å; F266-G280 WeakPolarHBondContact CA-O 3.19Å; F266-G280 WeakPolarHBondContact CB-O 3.44Å; L267-G280 PolarHBondContact N-O 3.34Å; L267-G280 PolarHBondContact O-N 2.88Å; G280-R288 CarbonylContact C-O 3.59Å; G280-R288 WeakPolarHBondContact CA-O 3.34Å
281	V	96.8	Very high	91.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.4	-177	62.4	0	0	0	0	110.3	D265 F266 R288 L290 C335 L337	D265-V281 CarbonylContact O-C 3.6Å; D265-V281 VanDerWaalsContact O-CA 3.27Å; D265-V281 WeakPolarHBondContact O-CA 3.49Å; D265-V281 WeakPolarHBondContact O-CG2 3.3Å; F266-V281 HydrophobicContact CB-CB 4.21Å; F266-V281 HydrophobicContact CB-CG2 4.27Å; V281-R288 HydrophobicContact CG1-CB 4.15Å; V281-R288 PolarHBondContact N-O 2.83Å; V281-R288 PolarHBondContact O-N 3.24Å; V281-L290 HydrophobicContact CG1-CD1 4.46Å; V281-L290 HydrophobicContact CG1-CD2 3.74Å; V281-L290 HydrophobicContact CG1-CG 4.08Å; V281-C335 HydrophobicContact CG1-CB 4.03Å; V281-L337 HydrophobicContact CB-CD2 4.05Å; V281-L337 HydrophobicContact CG2-CD2 3.93Å
282	R	95	Very high	91.8	Very high	51 Å²	51	51 Å²	51	19%	0.192	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.3	164.6	174.2	166.6	-169.9	137.5	2	109.3	L260 E261 R262 G264 D265 D285 T286 I287	L260-R282 HydrophobicContact CB-CB 3.72Å; L260-R282 WeakPolarHBondContact O-CD 3.32Å; L260-R282 PolarHBondContact O-NH1 3.4Å; L260-R282 VanDerWaalsContact O-NH1 3.12Å; E261-R282 PolarHBondContact O-NE 2.72Å; R262-R282 WeakPolarHBondContact O-CB 3.27Å; G264-R282 PolarHBondContact N-O 2.99Å; D265-R282 PolarHBondContact O-N 2.91Å; R282-D285 IonicContact CZ-OD1 2.96Å; R282-D285 IonicContact NE-OD1 2.77Å; R282-D285 IonicContact NH2-OD1 2.7Å; R282-D285 PolarHBondContact NH2-OD1 3.36Å; R282-T286 WeakPolarHBondContact CA-O 3.21Å; R282-I287 HydrophobicContact CB-CD1 3.63Å; R282-I287 HydrophobicContact CG-CD1 4.04Å
283	W	91.9	Very high	91.9	Very high	1 Å²	1	55 Å²	55	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	120.7	-176	-166.4	-94.2	0	0	0	110.5	D285 T286 N334 C335 V336 G589 P591 L596	W283-D285 VanDerWaalsContact C-N 3.31Å; W283-D285 PolarHBondContact O-N 2.85Å; W283-T286 PolarHBondContact N-O 3.12Å; W283-T286 PolarHBondContact O-N 3.44Å; W283-T286 VanDerWaalsContact O-O 3.14Å; W283-T286 PolarHBondContact O-OG1 2.86Å; W283-N334 PolarHBondContact NE1-O 3.46Å; W283-C335 HydrophobicContact CB-CB 4.48Å; W283-C335 HydrophobicContact CD2-CB 3.98Å; W283-C335 HydrophobicContact CE3-CB 4.23Å; W283-C335 HydrophobicContact CG-CB 4.09Å; W283-C335 VanDerWaalsContact CG-SG 3.55Å; W283-V336 HydrophobicContact CH2-CB 3.55Å; W283-V336 HydrophobicContact CH2-CG2 3.8Å; W283-V336 VanDerWaalsContact CH2-N 3.31Å; W283-V336 HydrophobicContact CZ2-CG2 4.47Å; W283-V336 HydrophobicContact CZ3-CB 3.74Å; W283-V336 HydrophobicContact CZ3-CG2 4.46Å; W283-V336 WeakPolarHBondContact CZ3-O 3.39Å; W283-G589 VanDerWaalsContact CH2-O 3.31Å; W283-G589 WeakPolarHBondContact CH2-O 3.27Å; W283-P591 HydrophobicContact CD2-CG 4.45Å; W283-P591 HydrophobicContact CH2-CG 4.4Å; W283-P591 HydrophobicContact CZ2-CB 3.82Å; W283-P591 HydrophobicContact CZ2-CG 3.72Å; W283-L596 HydrophobicContact CH2-CD1 4.46Å; W283-L596 HydrophobicContact CH2-CD2 4.42Å; W283-L596 HydrophobicContact CZ2-CD1 3.75Å; W283-L596 HydrophobicContact CZ2-CD2 3.87Å; W283-L596 HydrophobicContact CZ2-CG 3.98Å
284	D	87.2	Confident	92.4	Very high	55 Å²	55	48.6 Å²	48.6	29%	0.294	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	49.9	178	-166.4	56	0	0	0	110.5	N263 T286 P591 G594	N263-D284 PolarHBondContact OD1-N 3.29Å; D284-T286 PolarHBondContact O-N 3.41Å; D284-P591 HydrophobicContact CB-CG 4.35Å; D284-G594 VanDerWaalsContact CG-CA 3.46Å; D284-G594 VanDerWaalsContact CG-N 3.26Å; D284-G594 PolarHBondContact OD1-N 3.45Å; D284-G594 WeakPolarHBondContact OD2-CA 3.22Å; D284-G594 PolarHBondContact OD2-N 3.25Å
285	D	84.5	Confident	92.6	Very high	107 Å²	107	46.9 Å²	46.9	57%	0.572	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	12.5	-175.4	-70	-49	0	0	0	116.6	N263 R282 W283	N263-D285 PolarHBondContact OD1-N 2.72Å; R282-D285 IonicContact CZ-OD1 2.96Å; R282-D285 IonicContact NE-OD1 2.77Å; R282-D285 IonicContact NH2-OD1 2.7Å; R282-D285 PolarHBondContact NH2-OD1 3.36Å; W283-D285 VanDerWaalsContact C-N 3.31Å; W283-D285 PolarHBondContact O-N 2.85Å
286	T	91.1	Very high	92.3	Very high	61 Å²	61	48 Å²	48	37%	0.374	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	144.1	174.9	65.8	0	0	0	0	111.6	R282 W283 D284 R288	R282-T286 WeakPolarHBondContact CA-O 3.21Å; W283-T286 PolarHBondContact N-O 3.12Å; W283-T286 PolarHBondContact O-N 3.44Å; W283-T286 VanDerWaalsContact O-O 3.14Å; W283-T286 PolarHBondContact O-OG1 2.86Å; D284-T286 PolarHBondContact O-N 3.41Å; T286-R288 PolarHBondContact OG1-NE 2.82Å
287	I	94.5	Very high	91.7	Very high	38 Å²	38	51.9 Å²	51.9	20%	0.195	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.2	170.1	-56.6	-51.8	0	0	0	109.8	L256 L260 R282	L256-I287 HydrophobicContact CB-CG2 3.7Å; L256-I287 HydrophobicContact CD1-CG2 3.73Å; L256-I287 HydrophobicContact CG-CG2 4.36Å; L260-I287 HydrophobicContact CB-CD1 3.83Å; L260-I287 HydrophobicContact CD1-CD1 4.04Å; L260-I287 HydrophobicContact CD1-CG2 4.2Å; R282-I287 HydrophobicContact CB-CD1 3.63Å; R282-I287 HydrophobicContact CG-CD1 4.04Å
288	R	94.2	Very high	91.1	Very high	77 Å²	77	53.8 Å²	53.8	29%	0.291	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.3	-179.8	-61.6	-177.9	-177.7	-169.8	3.6	110.7	G280 V281 T286 C335	G280-R288 CarbonylContact C-O 3.59Å; G280-R288 WeakPolarHBondContact CA-O 3.34Å; V281-R288 HydrophobicContact CG1-CB 4.15Å; V281-R288 PolarHBondContact N-O 2.83Å; V281-R288 PolarHBondContact O-N 3.24Å; T286-R288 PolarHBondContact OG1-NE 2.82Å; R288-C335 VanDerWaalsContact CD-SG 3.59Å
289	I	95.3	Very high	90.4	Very high	63 Å²	63	53.6 Å²	53.6	32%	0.323	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.4	164.4	-58.2	-52.9	0	0	0	107.2	L256 L269 R278	L256-I289 HydrophobicContact CD1-CD1 3.6Å; L256-I289 HydrophobicContact CD1-CG1 4.49Å; L269-I289 HydrophobicContact CD1-CD1 3.59Å; R278-I289 HydrophobicContact CB-CG2 3.95Å; R278-I289 HydrophobicContact CG-CG2 4.17Å
290	L	95.4	Very high	90	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.016	30%	0.3	C	S	.	.			trans	-67.3	143.2	-179.7	-56	-172.9	0	0	0	110.2	R278 L279 V281 I292 L332 D333 C335 L337	R278-L290 WeakPolarHBondContact CD-O 3.47Å; L279-L290 HydrophobicContact CB-CB 4.38Å; L279-L290 HydrophobicContact CB-CD1 3.95Å; L279-L290 HydrophobicContact CB-CG 4.26Å; L279-L290 HydrophobicContact CD1-CD1 4.46Å; L279-L290 PolarHBondContact O-N 3.12Å; V281-L290 HydrophobicContact CG1-CD1 4.46Å; V281-L290 HydrophobicContact CG1-CD2 3.74Å; V281-L290 HydrophobicContact CG1-CG 4.08Å; L290-I292 HydrophobicContact CB-CG2 3.85Å; L290-I292 PolarHBondContact O-N 2.89Å; L290-L332 HydrophobicContact CD1-CB 3.84Å; L290-L332 HydrophobicContact CD1-CD1 4.15Å; L290-D333 WeakPolarHBondContact CA-OD2 3.35Å; L290-D333 HydrophobicContact CD2-CB 4.07Å; L290-C335 HydrophobicContact CD2-CB 4.08Å; L290-L337 HydrophobicContact CD1-CD2 4Å
291	K	91.9	Very high	89.8	Confident	147 Å²	147	60.4 Å²	60.4	64%	0.639	30%	0.303	S	S	*	.	S	Bend	trans	-68.9	-20.4	179.5	-63	-177.8	177.7	-174.8	0	112.5	K293 D333	K291-K293 WeakPolarHBondContact O-CG 3.44Å; K291-K293 PolarHBondContact O-N 3.32Å; K291-D333 WeakPolarHBondContact CB-OD2 3.2Å; K291-D333 PolarHBondContact N-OD2 3.33Å
292	I	90	Very high	89.7	Confident	39 Å²	39	64.1 Å²	64.1	20%	0.2	33%	0.328	C	S	.	.			trans	-54.7	131.7	179.2	-174.5	165.7	0	0	0	111.3	R278 L279 L290 L294 Y321	R278-I292 VanDerWaalsContact CD-O 3.25Å; R278-I292 WeakPolarHBondContact CD-O 3.14Å; L279-I292 HydrophobicContact CD1-CG2 4.18Å; L290-I292 HydrophobicContact CB-CG2 3.85Å; L290-I292 PolarHBondContact O-N 2.89Å; I292-L294 HydrophobicContact CD1-CD2 3.95Å; I292-L294 HydrophobicContact CG1-CD2 4.13Å; I292-L294 HydrophobicContact CG1-CG 4.41Å; I292-Y321 HydrophobicContact CD1-CE1 3.63Å; I292-Y321 HydrophobicContact CD1-CE2 4.01Å; I292-Y321 WeakPolarHBondContact CD1-OH 3.39Å
293	K	90.2	Very high	89.7	Confident	140 Å²	140	62 Å²	62	61%	0.609	32%	0.32	S	S	*	.			trans	-110.2	112.7	179.4	-43.5	-165.4	169.7	-179.8	0	109.5	L276 R278 K291	L276-K293 HydrophobicContact CD1-CB 4.21Å; L276-K293 HydrophobicContact CD2-CD 4.21Å; R278-K293 VanDerWaalsContact CZ-CG 3.43Å; R278-K293 VanDerWaalsContact NH1-CG 3.27Å; R278-K293 VanDerWaalsContact NH2-CE 3.25Å; K291-K293 WeakPolarHBondContact O-CG 3.44Å; K291-K293 PolarHBondContact O-N 3.32Å
294	L	92.6	Very high	89.8	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.021	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-99.8	102	173.6	-58	175.3	0	0	0	106.7	L268 L277 I292 P296 Y301 V318 Y321	L268-L294 HydrophobicContact CD1-CD1 4.49Å; L277-L294 HydrophobicContact CB-CB 3.97Å; L277-L294 VanDerWaalsContact CB-O 3.31Å; L277-L294 WeakPolarHBondContact CB-O 3.43Å; L277-L294 PolarHBondContact N-O 3.34Å; L277-L294 PolarHBondContact O-N 3.38Å; L277-L294 VanDerWaalsContact O-N 3.13Å; I292-L294 HydrophobicContact CD1-CD2 3.95Å; I292-L294 HydrophobicContact CG1-CD2 4.13Å; I292-L294 HydrophobicContact CG1-CG 4.41Å; L294-P296 WeakPolarHBondContact O-CD 3.37Å; L294-Y301 HydrophobicContact CB-CD1 4.27Å; L294-Y301 HydrophobicContact CB-CE1 4.03Å; L294-Y301 HydrophobicContact CD2-CD1 3.71Å; L294-Y301 HydrophobicContact CD2-CE1 4.33Å; L294-V318 HydrophobicContact CD1-CG1 4.09Å; L294-Y321 HydrophobicContact CD1-CD1 3.9Å; L294-Y321 HydrophobicContact CD1-CE1 4.29Å; L294-Y321 HydrophobicContact CD2-CD1 3.83Å; L294-Y321 HydrophobicContact CD2-CD2 4.32Å; L294-Y321 HydrophobicContact CD2-CE1 4Å; L294-Y321 HydrophobicContact CD2-CE2 4.46Å; L294-Y321 HydrophobicContact CD2-CG 4.03Å
295	Q	89.4	Confident	90	Very high	126 Å²	126	65.6 Å²	65.6	59%	0.589	33%	0.333	S	S	*	.			trans	-69.3	124.2	176.4	-75.7	-177.6	-8.5	0	0	108.9	L276 N297 S298 Y301	L276-Q295 HydrophobicContact CD1-CG 3.89Å; Q295-N297 PolarHBondContact O-N 3.07Å; Q295-S298 PolarHBondContact O-N 2.86Å; Q295-Y301 WeakPolarHBondContact O-CE1 3.41Å; Q295-Y301 PolarHBondContact O-OH 2.8Å; Q295-Y301 VanDerWaalsContact O-OH 3.05Å
296	P	80.7	Confident	89.9	Confident	31 Å²	31	63.6 Å²	63.6	20%	0.201	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	140.4	172.1	-26.1	34.4	0	0	0	110.7	W241 H275 L277 L294 S298	W241-P296 HydrophobicContact CZ2-CB 4.03Å; W241-P296 HydrophobicContact CZ2-CG 4.43Å; H275-P296 HydrophobicContact CB-CG 3.92Å; H275-P296 WeakPolarHBondContact O-CG 2.99Å; L277-P296 HydrophobicContact CD1-CG 4.5Å; L277-P296 HydrophobicContact CG-CG 4.19Å; L294-P296 WeakPolarHBondContact O-CD 3.37Å; P296-S298 PolarHBondContact O-N 3.46Å
297	N	79.7	Confident	89.6	Confident	114 Å²	114	62.3 Å²	62.3	61%	0.61	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	15.7	170.2	-47.9	-23.8	0	0	0	115.3	H240 W241 Q295 G299	H240-N297 PolarHBondContact NE2-OD1 3.49Å; W241-N297 PolarHBondContact NE1-OD1 3.07Å; Q295-N297 PolarHBondContact O-N 3.07Å; N297-G299 PolarHBondContact O-N 3.19Å
298	S	82.9	Confident	89.3	Confident	39 Å²	39	69.7 Å²	69.7	27%	0.273	35%	0.346	S	S	.	.			trans	-63.5	-22.8	175.3	72	0	0	0	0	112.8	Q295 P296 H300	Q295-S298 PolarHBondContact O-N 2.86Å; P296-S298 PolarHBondContact O-N 3.46Å; S298-H300 PolarHBondContact O-CD2 3.04Å; S298-H300 VanDerWaalsContact O-CD2 3.28Å; S298-H300 PolarHBondContact O-N 3.17Å; S298-H300 PolarHBondContact OG-N 3.12Å; S298-H300 PolarHBondContact OG-O 3Å
299	G	81.9	Confident	89	Confident	29 Å²	29	69.7 Å²	69.7	30%	0.299	35%	0.352	S	S	.	.	S	Bend	trans	64.8	0	-174.8	0	0	0	0	0	114.3	N297 S316	N297-G299 PolarHBondContact O-N 3.19Å; G299-S316 WeakPolarHBondContact O-CA 3.48Å
300	H	88.1	Confident	88.7	Confident	130 Å²	130	67 Å²	67	60%	0.602	34%	0.337	S	S	*	.			trans	-146	102.4	-172.4	-59.6	-59.7	0	0	0	109.9	S298 I314 V315	S298-H300 PolarHBondContact O-CD2 3.04Å; S298-H300 VanDerWaalsContact O-CD2 3.28Å; S298-H300 PolarHBondContact O-N 3.17Å; S298-H300 PolarHBondContact OG-N 3.12Å; S298-H300 PolarHBondContact OG-O 3Å; H300-I314 HydrophobicContact CB-CG2 3.62Å; H300-V315 CarbonylContact C-O 3.6Å; H300-V315 WeakPolarHBondContact CA-O 3.37Å
301	Y	93.2	Very high	88.5	Confident	14 Å²	14	68.1 Å²	68.1	6%	0.055	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.1	177	-54.9	-86.9	0	0	0	109.5	L294 Q295 L303 I314 V315 S317 V318	L294-Y301 HydrophobicContact CB-CD1 4.27Å; L294-Y301 HydrophobicContact CB-CE1 4.03Å; L294-Y301 HydrophobicContact CD2-CD1 3.71Å; L294-Y301 HydrophobicContact CD2-CE1 4.33Å; Q295-Y301 WeakPolarHBondContact O-CE1 3.41Å; Q295-Y301 PolarHBondContact O-OH 2.8Å; Q295-Y301 VanDerWaalsContact O-OH 3.05Å; Y301-L303 PolarHBondContact O-N 2.85Å; Y301-I314 WeakPolarHBondContact O-CA 3.42Å; Y301-V315 PolarHBondContact N-O 3.44Å; Y301-V315 PolarHBondContact O-N 2.85Å; Y301-S317 VanDerWaalsContact CE2-C 3.48Å; Y301-V318 HydrophobicContact CE1-CG2 3.83Å; Y301-V318 HydrophobicContact CE2-CG2 4.22Å; Y301-V318 WeakPolarHBondContact OH-CG2 3.41Å
302	C	93.8	Very high	88.5	Confident	77 Å²	77	62.5 Å²	62.5	52%	0.52	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	125	179.9	-63.6	0	0	0	0	110.9	V312 E313 Y321	C302-V312 HydrophobicContact CB-CG1 4.16Å; C302-E313 CarbonylContact C-O 3.6Å; C302-E313 WeakPolarHBondContact CA-O 3.14Å; C302-Y321 WeakPolarHBondContact O-CE2 3.38Å
303	L	95.1	Very high	88.7	Confident	6 Å²	6	60.8 Å²	60.8	3%	0.031	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-70.4	153.5	174.2	-65.1	-179.7	0	0	0	111.7	Y301 E313 V315 Y321 A324 P374 T454	Y301-L303 PolarHBondContact O-N 2.85Å; L303-E313 HydrophobicContact CB-CB 4.2Å; L303-E313 HydrophobicContact CD1-CB 4.03Å; L303-E313 HydrophobicContact CG-CB 4.39Å; L303-E313 PolarHBondContact N-O 3.13Å; L303-V315 HydrophobicContact CD1-CG1 3.9Å; L303-V315 HydrophobicContact CD2-CG1 3.96Å; L303-V315 HydrophobicContact CD2-CG2 4.02Å; L303-V315 HydrophobicContact CG-CG1 3.99Å; L303-Y321 HydrophobicContact CD2-CD2 4.11Å; L303-Y321 HydrophobicContact CD2-CE2 4.48Å; L303-A324 HydrophobicContact CD1-CB 4.42Å; L303-A324 HydrophobicContact CD2-CB 3.7Å; L303-P374 HydrophobicContact CB-CB 4.14Å; L303-P374 HydrophobicContact CB-CG 4.05Å; L303-P374 HydrophobicContact CD1-CB 4.36Å; L303-P374 HydrophobicContact CD1-CG 4.1Å; L303-P374 HydrophobicContact CD2-CG 4.38Å; L303-P374 HydrophobicContact CG-CG 4.41Å; L303-T454 HydrophobicContact CD1-CG2 3.78Å
304	P	93.5	Very high	88.9	Confident	25 Å²	25	55.2 Å²	55.2	16%	0.162	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-61.7	143.9	178.9	-23.9	35.3	0	0	0	113.4	V325 C330 L332 C376	P304-V325 HydrophobicContact CG-CG2 3.87Å; P304-C330 HydrophobicContact CB-CB 4.37Å; P304-C330 HydrophobicContact CG-CB 4.06Å; P304-L332 HydrophobicContact CB-CD2 4.34Å; P304-L332 HydrophobicContact CG-CD2 3.68Å; P304-C376 PolarHBondContact O-SG 2.93Å
305	R	91.2	Very high	88.9	Confident	107 Å²	107	55.1 Å²	55.1	40%	0.404	29%	0.291	S	S	.	.			trans	-128.6	142.7	176.9	-62.1	-176.9	-64.5	162	-2.5	110	Q310 P311 V312	R305-Q310 HydrophobicContact CB-CB 4.38Å; R305-Q310 WeakPolarHBondContact CD-O 3.41Å; R305-Q310 HydrophobicContact CG-CB 4.29Å; R305-Q310 PolarHBondContact NH1-O 2.92Å; R305-P311 WeakPolarHBondContact CD-O 3.23Å; R305-V312 VanDerWaalsContact CZ-CG2 3.49Å
306	T	84.1	Confident	88.9	Confident	66 Å²	66	52 Å²	52	41%	0.405	28%	0.283	S	S	.	.	S	Bend	trans	-92	-13.9	175	53.1	0	0	0	0	112.8	Q310 C376	T306-Q310 PolarHBondContact OG1-NE2 3.11Å; T306-Q310 PolarHBondContact OG1-OE1 3.42Å; T306-C376 HydrophobicContact CG2-CB 3.8Å
307	N	83.9	Confident	89.3	Confident	34 Å²	34	51.2 Å²	51.2	18%	0.182	28%	0.278	C	S	.	.	S	Bend	trans	-144.3	144.5	174.5	-171.3	-24.7	0	0	0	110.7	L309 Q310 E384	N307-L309 PolarHBondContact O-N 2.7Å; N307-L309 PolarHBondContact OD1-N 3.15Å; N307-Q310 HydrophobicContact CB-CG 4.48Å; N307-Q310 WeakPolarHBondContact O-CB 3.49Å; N307-Q310 PolarHBondContact O-N 3.42Å; N307-Q310 VanDerWaalsContact O-N 3.11Å; N307-E384 PolarHBondContact ND2-OE1 2.89Å; N307-E384 PolarHBondContact ND2-OE2 2.93Å
308	K	87.9	Confident	90	Very high	193 Å²	193	45.9 Å²	45.9	84%	0.839	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-25.4	171.2	-63.1	-176.6	-178.6	179.9	0	113.7	Q310	K308-Q310 VanDerWaalsContact C-N 3.3Å
309	L	87.6	Confident	90.4	Very high	77 Å²	77	44.4 Å²	44.4	40%	0.403	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-23.7	176.2	-64.9	178.5	0	0	0	113.3	N307 E384 F405	N307-L309 PolarHBondContact O-N 2.7Å; N307-L309 PolarHBondContact OD1-N 3.15Å; L309-E384 HydrophobicContact CD1-CG 4.43Å; L309-E384 WeakPolarHBondContact CD1-OE2 3.5Å; L309-F405 HydrophobicContact CB-CD1 4.23Å; L309-F405 HydrophobicContact CB-CE1 3.96Å; L309-F405 HydrophobicContact CB-CE2 4.28Å; L309-F405 HydrophobicContact CB-CZ 3.97Å; L309-F405 HydrophobicContact CD1-CD1 4.24Å; L309-F405 HydrophobicContact CD1-CE1 3.91Å; L309-F405 HydrophobicContact CD2-CE1 4.2Å; L309-F405 HydrophobicContact CD2-CZ 4.17Å; L309-F405 HydrophobicContact CG-CE1 4.25Å; L309-F405 HydrophobicContact CG-CZ 4.48Å; L309-F405 WeakPolarHBondContact O-CE2 3.35Å
310	Q	89.6	Confident	91	Very high	5 Å²	5	43.2 Å²	43.2	2%	0.023	23%	0.225	C	C	.	.	S	Bend	trans	-66.5	140.2	175.3	-70.3	166	-18.5	0	0	109.7	R305 T306 N307 K308 L375	R305-Q310 HydrophobicContact CB-CB 4.38Å; R305-Q310 WeakPolarHBondContact CD-O 3.41Å; R305-Q310 HydrophobicContact CG-CB 4.29Å; R305-Q310 PolarHBondContact NH1-O 2.92Å; T306-Q310 PolarHBondContact OG1-NE2 3.11Å; T306-Q310 PolarHBondContact OG1-OE1 3.42Å; N307-Q310 HydrophobicContact CB-CG 4.48Å; N307-Q310 WeakPolarHBondContact O-CB 3.49Å; N307-Q310 PolarHBondContact O-N 3.42Å; N307-Q310 VanDerWaalsContact O-N 3.11Å; K308-Q310 VanDerWaalsContact C-N 3.3Å; Q310-L375 HydrophobicContact CB-CD2 4.33Å; Q310-L375 HydrophobicContact CG-CD2 4.21Å
311	P	91	Very high	91.3	Very high	27 Å²	27	37.2 Å²	37.2	18%	0.175	20%	0.197	C	C	.	.			trans	-59.7	149.4	174.5	27.6	-35.6	0	0	0	110.7	R305 E313 L375 L412 L441	R305-P311 WeakPolarHBondContact CD-O 3.23Å; P311-E313 PolarHBondContact O-N 3.02Å; P311-L375 HydrophobicContact CG-CD2 4.04Å; P311-L412 HydrophobicContact CG-CD2 4.06Å; P311-L441 HydrophobicContact CB-CD2 4.4Å
312	V	92.5	Very high	91.4	Very high	30 Å²	30	36.6 Å²	36.6	18%	0.182	19%	0.194	C	C	.	.			trans	-72.7	115.2	169.1	-178.4	0	0	0	0	107.6	C302 R305 I314	C302-V312 HydrophobicContact CB-CG1 4.16Å; R305-V312 VanDerWaalsContact CZ-CG2 3.49Å; V312-I314 HydrophobicContact CG1-CD1 4.41Å; V312-I314 HydrophobicContact CG1-CG1 3.93Å
313	E	94.7	Very high	91.5	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	17%	0.173	C	C	.	.			trans	-93.2	138.1	168.3	-64.4	176.6	116	0	0	108.8	C302 L303 P311 L375 L441 T454 V455	C302-E313 CarbonylContact C-O 3.6Å; C302-E313 WeakPolarHBondContact CA-O 3.14Å; L303-E313 HydrophobicContact CB-CB 4.2Å; L303-E313 HydrophobicContact CD1-CB 4.03Å; L303-E313 HydrophobicContact CG-CB 4.39Å; L303-E313 PolarHBondContact N-O 3.13Å; P311-E313 PolarHBondContact O-N 3.02Å; E313-L375 WeakPolarHBondContact OE2-CB 3.4Å; E313-L375 PolarHBondContact OE2-N 2.98Å; E313-L441 HydrophobicContact CG-CD1 4.3Å; E313-T454 HydrophobicContact CB-CG2 4.33Å; E313-T454 WeakPolarHBondContact OE1-CA 3.46Å; E313-V455 PolarHBondContact OE1-N 3.16Å
314	I	92.8	Very high	91.5	Very high	23 Å²	23	33.4 Å²	33.4	12%	0.118	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.8	-174.2	-59	177.8	0	0	0	108.3	H300 Y301 V312 N439 S453	H300-I314 HydrophobicContact CB-CG2 3.62Å; Y301-I314 WeakPolarHBondContact O-CA 3.42Å; V312-I314 HydrophobicContact CG1-CD1 4.41Å; V312-I314 HydrophobicContact CG1-CG1 3.93Å; I314-N439 HydrophobicContact CD1-CB 4.03Å; I314-S453 PolarHBondContact N-O 2.86Å; I314-S453 WeakPolarHBondContact O-CB 3.44Å; I314-S453 PolarHBondContact O-OG 2.69Å
315	V	92.4	Very high	91.6	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	160.8	169.9	-62.6	0	0	0	0	110.8	H300 Y301 L303 E320 L372 T454	H300-V315 CarbonylContact C-O 3.6Å; H300-V315 WeakPolarHBondContact CA-O 3.37Å; Y301-V315 PolarHBondContact N-O 3.44Å; Y301-V315 PolarHBondContact O-N 2.85Å; L303-V315 HydrophobicContact CD1-CG1 3.9Å; L303-V315 HydrophobicContact CD2-CG1 3.96Å; L303-V315 HydrophobicContact CD2-CG2 4.02Å; L303-V315 HydrophobicContact CG-CG1 3.99Å; V315-E320 HydrophobicContact CB-CB 3.7Å; V315-E320 WeakPolarHBondContact CB-OE2 3.4Å; V315-E320 HydrophobicContact CG1-CB 4.23Å; V315-E320 HydrophobicContact CG2-CB 3.88Å; V315-L372 HydrophobicContact CG1-CD1 4.1Å; V315-T454 HydrophobicContact CG1-CG2 4.22Å
316	S	89.4	Confident	91.8	Very high	61 Å²	61	27.1 Å²	27.1	43%	0.427	15%	0.145	S	C	.	.	S	Bend	trans	-92	-21.6	-166.9	63.8	0	0	0	0	114.8	G299 E320	G299-S316 WeakPolarHBondContact O-CA 3.48Å; S316-E320 WeakPolarHBondContact CA-OE2 3.2Å; S316-E320 PolarHBondContact N-OE2 2.83Å; S316-E320 VanDerWaalsContact OG-CD 3.3Å; S316-E320 PolarHBondContact OG-OE1 2.98Å; S316-E320 PolarHBondContact OG-OE2 3.39Å
317	S	90.4	Very high	92.3	Very high	14 Å²	14	24.1 Å²	24.1	10%	0.098	13%	0.126	C	C	.	.	S	Bend	trans	-134.1	159.7	-176.8	68.3	0	0	0	0	113	Y301 E319 E320 Y321	Y301-S317 VanDerWaalsContact CE2-C 3.48Å; S317-E319 PolarHBondContact O-N 2.94Å; S317-E320 PolarHBondContact N-OE2 2.91Å; S317-E320 PolarHBondContact O-N 3.49Å; S317-E320 VanDerWaalsContact OG-CG 3.32Å; S317-E320 WeakPolarHBondContact OG-CG 3.44Å; S317-E320 PolarHBondContact OG-N 2.88Å; S317-E320 VanDerWaalsContact OG-N 3.15Å; S317-Y321 PolarHBondContact O-N 3.47Å
318	V	93.2	Very high	92.7	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-62.1	-35.3	171.8	176.8	0	0	0	0	110.9	W241 L244 L268 L277 L294 Y301 Y321 V322	W241-V318 HydrophobicContact CB-CB 4.07Å; W241-V318 HydrophobicContact CB-CG1 4.46Å; W241-V318 HydrophobicContact CB-CG2 3.95Å; L244-V318 HydrophobicContact CD1-CB 4.22Å; L244-V318 HydrophobicContact CD1-CG1 3.87Å; L268-V318 HydrophobicContact CD1-CG1 4.27Å; L268-V318 HydrophobicContact CD2-CG1 3.95Å; L277-V318 HydrophobicContact CD1-CG1 4.47Å; L277-V318 HydrophobicContact CD1-CG2 3.79Å; L294-V318 HydrophobicContact CD1-CG1 4.09Å; Y301-V318 HydrophobicContact CE1-CG2 3.83Å; Y301-V318 HydrophobicContact CE2-CG2 4.22Å; Y301-V318 WeakPolarHBondContact OH-CG2 3.41Å; V318-Y321 PolarHBondContact O-N 3.14Å; V318-V322 HydrophobicContact CG1-CG2 4.23Å; V318-V322 WeakPolarHBondContact O-CG2 3.32Å; V318-V322 PolarHBondContact O-N 2.78Å
319	E	93.1	Very high	92.9	Very high	7 Å²	7	18.1 Å²	18.1	3%	0.033	10%	0.1	C	C	.	.	H	α-helix	trans	-59.5	-50.5	175.4	-165.9	-167.4	178.7	0	0	111.2	A236 K237 G238 I239 L244 S317 Y321 V322 K323	A236-E319 HydrophobicContact CB-CB 4.22Å; A236-E319 HydrophobicContact CB-CG 3.92Å; K237-E319 PolarHBondContact N-OE1 2.85Å; K237-E319 PolarHBondContact N-OE2 3.47Å; G238-E319 PolarHBondContact N-OE2 3.46Å; I239-E319 WeakPolarHBondContact CG1-OE2 3.47Å; I239-E319 PolarHBondContact N-OE2 2.78Å; L244-E319 HydrophobicContact CD2-CB 3.89Å; L244-E319 HydrophobicContact CD2-CG 3.87Å; S317-E319 PolarHBondContact O-N 2.94Å; E319-Y321 VanDerWaalsContact C-N 3.3Å; E319-Y321 PolarHBondContact O-N 3.38Å; E319-V322 PolarHBondContact O-N 3.36Å; E319-K323 HydrophobicContact CG-CD 4.32Å; E319-K323 WeakPolarHBondContact O-CB 3.49Å; E319-K323 WeakPolarHBondContact O-CG 3.42Å; E319-K323 PolarHBondContact O-N 2.81Å; E319-K323 WeakPolarHBondContact OE1-CE 3.21Å; E319-K323 IonicContact OE1-NZ 2.97Å
320	E	93	Very high	93.1	Very high	5 Å²	5	14.8 Å²	14.8	2%	0.023	8%	0.083	C	C	.	.	H	α-helix	trans	-58.7	-44.3	177.5	-75.9	173.2	173.1	0	0	111.3	A236 V315 S316 S317 A324 K369 L372	A236-E320 HydrophobicContact CB-CB 4.13Å; A236-E320 HydrophobicContact CB-CG 3.29Å; V315-E320 HydrophobicContact CB-CB 3.7Å; V315-E320 WeakPolarHBondContact CB-OE2 3.4Å; V315-E320 HydrophobicContact CG1-CB 4.23Å; V315-E320 HydrophobicContact CG2-CB 3.88Å; S316-E320 WeakPolarHBondContact CA-OE2 3.2Å; S316-E320 PolarHBondContact N-OE2 2.83Å; S316-E320 VanDerWaalsContact OG-CD 3.3Å; S316-E320 PolarHBondContact OG-OE1 2.98Å; S316-E320 PolarHBondContact OG-OE2 3.39Å; S317-E320 PolarHBondContact N-OE2 2.91Å; S317-E320 PolarHBondContact O-N 3.49Å; S317-E320 VanDerWaalsContact OG-CG 3.32Å; S317-E320 WeakPolarHBondContact OG-CG 3.44Å; S317-E320 PolarHBondContact OG-N 2.88Å; S317-E320 VanDerWaalsContact OG-N 3.15Å; E320-A324 WeakPolarHBondContact O-CB 3.49Å; E320-A324 PolarHBondContact O-N 3.41Å; E320-K369 VanDerWaalsContact OE1-CD 3.24Å; E320-K369 WeakPolarHBondContact OE1-CD 3.2Å; E320-K369 WeakPolarHBondContact OE1-CE 3.45Å; E320-K369 IonicContact OE1-NZ 2.69Å; E320-K369 PolarHBondContact OE1-NZ 3.43Å; E320-K369 IonicContact OE2-NZ 3Å; E320-L372 HydrophobicContact CG-CD1 4.46Å
321	Y	95.1	Very high	93.2	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.016	9%	0.092	C	C	.	.	H	α-helix	trans	-58.9	-53.8	178.3	179.7	-89.1	0	0	0	111.3	I292 L294 C302 L303 S317 V318 E319 A324 V325 L332	I292-Y321 HydrophobicContact CD1-CE1 3.63Å; I292-Y321 HydrophobicContact CD1-CE2 4.01Å; I292-Y321 WeakPolarHBondContact CD1-OH 3.39Å; L294-Y321 HydrophobicContact CD1-CD1 3.9Å; L294-Y321 HydrophobicContact CD1-CE1 4.29Å; L294-Y321 HydrophobicContact CD2-CD1 3.83Å; L294-Y321 HydrophobicContact CD2-CD2 4.32Å; L294-Y321 HydrophobicContact CD2-CE1 4Å; L294-Y321 HydrophobicContact CD2-CE2 4.46Å; L294-Y321 HydrophobicContact CD2-CG 4.03Å; C302-Y321 WeakPolarHBondContact O-CE2 3.38Å; L303-Y321 HydrophobicContact CD2-CD2 4.11Å; L303-Y321 HydrophobicContact CD2-CE2 4.48Å; S317-Y321 PolarHBondContact O-N 3.47Å; V318-Y321 PolarHBondContact O-N 3.14Å; E319-Y321 VanDerWaalsContact C-N 3.3Å; E319-Y321 PolarHBondContact O-N 3.38Å; Y321-A324 PolarHBondContact O-N 2.87Å; Y321-V325 HydrophobicContact CD1-CG2 4.3Å; Y321-V325 HydrophobicContact CE1-CG2 3.72Å; Y321-V325 HydrophobicContact CE2-CG2 4.09Å; Y321-V325 VanDerWaalsContact O-CG2 3.29Å; Y321-V325 WeakPolarHBondContact O-CG2 3.37Å; Y321-V325 PolarHBondContact O-N 3.42Å; Y321-L332 HydrophobicContact CE1-CD1 4.47Å
322	V	95.9	Very high	93.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.6	-47.8	-177.1	170.7	0	0	0	0	110.7	F246 F266 L279 V318 E319 A324 V325 V326	F246-V322 HydrophobicContact CE2-CG1 4.12Å; F246-V322 HydrophobicContact CE2-CG2 4.21Å; F246-V322 HydrophobicContact CZ-CB 4.28Å; F246-V322 HydrophobicContact CZ-CG1 3.91Å; F246-V322 HydrophobicContact CZ-CG2 4.4Å; F266-V322 HydrophobicContact CE2-CG1 3.6Å; F266-V322 HydrophobicContact CZ-CG1 3.68Å; L279-V322 HydrophobicContact CD2-CG2 4.34Å; V318-V322 HydrophobicContact CG1-CG2 4.23Å; V318-V322 WeakPolarHBondContact O-CG2 3.32Å; V318-V322 PolarHBondContact O-N 2.78Å; E319-V322 PolarHBondContact O-N 3.36Å; V322-A324 PolarHBondContact O-N 3.46Å; V322-V325 PolarHBondContact O-N 3.47Å; V322-V326 HydrophobicContact CG1-CG2 4.33Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.3Å; V322-V326 PolarHBondContact O-N 3.2Å
323	K	95.4	Very high	93.1	Very high	16 Å²	16	16.9 Å²	16.9	7%	0.07	9%	0.093	C	C	.	.	H	α-helix	trans	-61.3	-43.3	178.4	-74	-169.9	174.1	-154.7	0	112.1	Q230 M231 F234 G235 A236 E319 V325 V326 A327	Q230-K323 VanDerWaalsContact O-CE 3.28Å; Q230-K323 WeakPolarHBondContact O-CE 3.43Å; Q230-K323 PolarHBondContact O-NZ 2.94Å; M231-K323 HydrophobicContact SD-CG 3.88Å; F234-K323 PolarHBondContact O-NZ 3.34Å; G235-K323 PolarHBondContact O-NZ 2.94Å; A236-K323 HydrophobicContact CB-CD 4.16Å; E319-K323 HydrophobicContact CG-CD 4.32Å; E319-K323 WeakPolarHBondContact O-CB 3.49Å; E319-K323 WeakPolarHBondContact O-CG 3.42Å; E319-K323 PolarHBondContact O-N 2.81Å; E319-K323 WeakPolarHBondContact OE1-CE 3.21Å; E319-K323 IonicContact OE1-NZ 2.97Å; K323-V325 VanDerWaalsContact C-N 3.34Å; K323-V325 PolarHBondContact O-N 2.95Å; K323-V326 PolarHBondContact O-N 3.38Å; K323-A327 WeakPolarHBondContact O-CB 3.42Å; K323-A327 PolarHBondContact O-N 3.49Å
324	A	95.3	Very high	92.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.8	-40.9	178.9	0	0	0	0	0	112.3	L303 E320 Y321 V322 G328 L372 P374	L303-A324 HydrophobicContact CD1-CB 4.42Å; L303-A324 HydrophobicContact CD2-CB 3.7Å; E320-A324 WeakPolarHBondContact O-CB 3.49Å; E320-A324 PolarHBondContact O-N 3.41Å; Y321-A324 PolarHBondContact O-N 2.87Å; V322-A324 PolarHBondContact O-N 3.46Å; A324-G328 PolarHBondContact O-N 2.78Å; A324-L372 WeakPolarHBondContact CA-O 3.32Å; A324-L372 HydrophobicContact CB-CB 4.04Å; A324-P374 VanDerWaalsContact O-CD 3.28Å; A324-P374 WeakPolarHBondContact O-CD 3.11Å
325	V	95.9	Very high	92.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.2	-44.8	177	168.6	0	0	0	0	111.5	P304 Y321 V322 K323 R329 C330 L332 L337	P304-V325 HydrophobicContact CG-CG2 3.87Å; Y321-V325 HydrophobicContact CD1-CG2 4.3Å; Y321-V325 HydrophobicContact CE1-CG2 3.72Å; Y321-V325 HydrophobicContact CE2-CG2 4.09Å; Y321-V325 VanDerWaalsContact O-CG2 3.29Å; Y321-V325 WeakPolarHBondContact O-CG2 3.37Å; Y321-V325 PolarHBondContact O-N 3.42Å; V322-V325 PolarHBondContact O-N 3.47Å; K323-V325 VanDerWaalsContact C-N 3.34Å; K323-V325 PolarHBondContact O-N 2.95Å; V325-R329 PolarHBondContact O-N 3.21Å; V325-R329 VanDerWaalsContact O-N 3.08Å; V325-C330 HydrophobicContact CB-CB 4.25Å; V325-C330 HydrophobicContact CG1-CB 3.81Å; V325-C330 HydrophobicContact CG2-CB 4.38Å; V325-C330 PolarHBondContact O-N 3.46Å; V325-L332 HydrophobicContact CG1-CD1 3.57Å; V325-L332 HydrophobicContact CG1-CD2 4.47Å; V325-L332 HydrophobicContact CG1-CG 3.92Å; V325-L332 HydrophobicContact CG2-CD1 4.39Å; V325-L337 HydrophobicContact CG1-CD1 3.95Å; V325-L337 HydrophobicContact CG1-CG 4.39Å
326	V	95.6	Very high	92.9	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-67	-50.3	178.7	175.9	0	0	0	0	110.6	M231 F266 V322 K323 G328 R329 L337	M231-V326 HydrophobicContact CB-CB 4.46Å; M231-V326 HydrophobicContact CB-CG1 3.75Å; M231-V326 HydrophobicContact CG-CG1 4.27Å; F266-V326 HydrophobicContact CE1-CG2 3.79Å; F266-V326 HydrophobicContact CZ-CG2 3.89Å; V322-V326 HydrophobicContact CG1-CG2 4.33Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.3Å; V322-V326 PolarHBondContact O-N 3.2Å; K323-V326 PolarHBondContact O-N 3.38Å; V326-G328 VanDerWaalsContact C-N 3.27Å; V326-G328 PolarHBondContact O-N 3.27Å; V326-R329 PolarHBondContact O-N 3.21Å; V326-L337 HydrophobicContact CG2-CB 3.74Å
327	A	93.5	Very high	93.2	Very high	2 Å²	2	14.1 Å²	14.1	2%	0.017	7%	0.074	C	C	.	.	H	α-helix	trans	-61.2	-36.4	179.1	0	0	0	0	0	112.6	K323 R329 R373	K323-A327 WeakPolarHBondContact O-CB 3.42Å; K323-A327 PolarHBondContact O-N 3.49Å; A327-R329 VanDerWaalsContact C-N 3.32Å; A327-R373 HydrophobicContact CB-CG 4.3Å
328	G	92.7	Very high	93.3	Very high	13 Å²	13	14.1 Å²	14.1	13%	0.134	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.2	175.2	0	0	0	0	0	114.8	A324 V326 C330 S377	A324-G328 PolarHBondContact O-N 2.78Å; V326-G328 VanDerWaalsContact C-N 3.27Å; V326-G328 PolarHBondContact O-N 3.27Å; G328-C330 PolarHBondContact O-N 3.24Å; G328-C330 VanDerWaalsContact O-N 3.13Å; G328-S377 WeakPolarHBondContact CA-OG 3.32Å; G328-S377 WeakPolarHBondContact O-CB 3.44Å
329	R	91.8	Very high	93.3	Very high	88 Å²	88	14.9 Å²	14.9	33%	0.332	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	41.4	-172.3	-61.7	-173.7	176.7	93.1	-0.5	112.4	V325 V326 A327 V336	V325-R329 PolarHBondContact O-N 3.21Å; V325-R329 VanDerWaalsContact O-N 3.08Å; V326-R329 PolarHBondContact O-N 3.21Å; A327-R329 VanDerWaalsContact C-N 3.32Å; R329-V336 HydrophobicContact CB-CG1 4.31Å
330	C	92.8	Very high	93.5	Very high	8 Å²	8	14.8 Å²	14.8	5%	0.054	7%	0.074	C	C	.	.			trans	-68.8	136.7	-175.5	-73.3	0	0	0	0	110.3	P304 V325 G328	P304-C330 HydrophobicContact CB-CB 4.37Å; P304-C330 HydrophobicContact CG-CB 4.06Å; V325-C330 HydrophobicContact CB-CB 4.25Å; V325-C330 HydrophobicContact CG1-CB 3.81Å; V325-C330 HydrophobicContact CG2-CB 4.38Å; V325-C330 PolarHBondContact O-N 3.46Å; G328-C330 PolarHBondContact O-N 3.24Å; G328-C330 VanDerWaalsContact O-N 3.13Å
331	V	90.7	Very high	93.6	Very high	33 Å²	33	15.7 Å²	15.7	20%	0.2	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.6	176.2	-176	0	0	0	0	110.2	N334 C335 V336 L596	V331-N334 VanDerWaalsContact CG1-CA 3.48Å; V331-C335 CarbonylContact C-O 3.57Å; V331-C335 VanDerWaalsContact CA-O 3.32Å; V331-C335 WeakPolarHBondContact CA-O 3.24Å; V331-V336 HydrophobicContact CG2-CG2 3.9Å; V331-L596 HydrophobicContact CB-CD1 4.49Å; V331-L596 HydrophobicContact CG1-CD1 3.69Å; V331-L596 HydrophobicContact CG2-CD1 3.95Å
332	L	92.1	Very high	93.5	Very high	16 Å²	16	19 Å²	19	8%	0.084	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.3	177.4	-57.6	-174.9	0	0	0	109	L290 P304 Y321 V325 N334 C335 L337	L290-L332 HydrophobicContact CD1-CB 3.84Å; L290-L332 HydrophobicContact CD1-CD1 4.15Å; P304-L332 HydrophobicContact CB-CD2 4.34Å; P304-L332 HydrophobicContact CG-CD2 3.68Å; Y321-L332 HydrophobicContact CE1-CD1 4.47Å; V325-L332 HydrophobicContact CG1-CD1 3.57Å; V325-L332 HydrophobicContact CG1-CD2 4.47Å; V325-L332 HydrophobicContact CG1-CG 3.92Å; V325-L332 HydrophobicContact CG2-CD1 4.39Å; L332-N334 PolarHBondContact O-N 3.25Å; L332-N334 VanDerWaalsContact O-N 3.1Å; L332-C335 PolarHBondContact N-O 3.29Å; L332-C335 WeakPolarHBondContact O-CB 3.35Å; L332-C335 PolarHBondContact O-N 3.24Å; L332-L337 HydrophobicContact CD1-CD1 4.15Å
333	D	90	Very high	93.2	Very high	56 Å²	56	19.4 Å²	19.4	30%	0.299	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	38.9	-176	-58	-53.1	0	0	0	114.6	L290 K291 C335	L290-D333 WeakPolarHBondContact CA-OD2 3.35Å; L290-D333 HydrophobicContact CD2-CB 4.07Å; K291-D333 WeakPolarHBondContact CB-OD2 3.2Å; K291-D333 PolarHBondContact N-OD2 3.33Å; D333-C335 VanDerWaalsContact C-N 3.35Å
334	N	88.2	Confident	92.5	Very high	28 Å²	28	21.5 Å²	21.5	15%	0.15	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	25.1	-175.2	-55.3	-26.1	0	0	0	115.3	W283 V331 L332 V543	W283-N334 PolarHBondContact NE1-O 3.46Å; V331-N334 VanDerWaalsContact CG1-CA 3.48Å; L332-N334 PolarHBondContact O-N 3.25Å; L332-N334 VanDerWaalsContact O-N 3.1Å; N334-V543 WeakPolarHBondContact ND2-CG1 3.24Å
335	C	92.6	Very high	91.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	152.1	173.6	-59.7	0	0	0	0	110.8	V281 W283 R288 L290 V331 L332 D333	V281-C335 HydrophobicContact CG1-CB 4.03Å; W283-C335 HydrophobicContact CB-CB 4.48Å; W283-C335 HydrophobicContact CD2-CB 3.98Å; W283-C335 HydrophobicContact CE3-CB 4.23Å; W283-C335 HydrophobicContact CG-CB 4.09Å; W283-C335 VanDerWaalsContact CG-SG 3.55Å; R288-C335 VanDerWaalsContact CD-SG 3.59Å; L290-C335 HydrophobicContact CD2-CB 4.08Å; V331-C335 CarbonylContact C-O 3.57Å; V331-C335 VanDerWaalsContact CA-O 3.32Å; V331-C335 WeakPolarHBondContact CA-O 3.24Å; L332-C335 PolarHBondContact N-O 3.29Å; L332-C335 WeakPolarHBondContact O-CB 3.35Å; L332-C335 PolarHBondContact O-N 3.24Å; D333-C335 VanDerWaalsContact C-N 3.35Å
336	V	94.1	Very high	90.4	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.1	171	-178.9	0	0	0	0	108.6	W283 R329 V331 K338 L596	W283-V336 HydrophobicContact CH2-CB 3.55Å; W283-V336 HydrophobicContact CH2-CG2 3.8Å; W283-V336 VanDerWaalsContact CH2-N 3.31Å; W283-V336 HydrophobicContact CZ2-CG2 4.47Å; W283-V336 HydrophobicContact CZ3-CB 3.74Å; W283-V336 HydrophobicContact CZ3-CG2 4.46Å; W283-V336 WeakPolarHBondContact CZ3-O 3.39Å; R329-V336 HydrophobicContact CB-CG1 4.31Å; V331-V336 HydrophobicContact CG2-CG2 3.9Å; V336-K338 HydrophobicContact CG1-CG 4.33Å; V336-L596 HydrophobicContact CG2-CD1 4.1Å
337	L	95.4	Very high	89.4	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.01	21%	0.212	C	C	.	.			trans	-85.8	132.7	175.3	-54.1	-178.7	0	0	0	109.3	F266 L279 V281 L290 V325 V326 L332	F266-L337 HydrophobicContact CB-CD2 3.77Å; F266-L337 HydrophobicContact CD1-CB 3.75Å; F266-L337 HydrophobicContact CD1-CD2 4.34Å; F266-L337 HydrophobicContact CD1-CG 4.5Å; F266-L337 HydrophobicContact CE1-CB 3.99Å; F266-L337 HydrophobicContact CG-CB 4.23Å; F266-L337 HydrophobicContact CG-CD2 4.04Å; L279-L337 HydrophobicContact CD1-CD1 3.81Å; V281-L337 HydrophobicContact CB-CD2 4.05Å; V281-L337 HydrophobicContact CG2-CD2 3.93Å; L290-L337 HydrophobicContact CD1-CD2 4Å; V325-L337 HydrophobicContact CG1-CD1 3.95Å; V325-L337 HydrophobicContact CG1-CG 4.39Å; V326-L337 HydrophobicContact CG2-CB 3.74Å; L332-L337 HydrophobicContact CD1-CD1 4.15Å
338	K	93.7	Very high	88.7	Confident	13 Å²	13	42.5 Å²	42.5	6%	0.057	22%	0.223	C	C	.	.			trans	-126	-61.3	-177.3	-60.8	-171.9	176.7	-162.9	0	112	E117 G264 V336 H588 G589 M590	E117-K338 WeakPolarHBondContact OE1-CD 3.36Å; E117-K338 IonicContact OE1-NZ 2.76Å; E117-K338 PolarHBondContact OE1-NZ 3.28Å; E117-K338 IonicContact OE2-NZ 3.02Å; E117-K338 PolarHBondContact OE2-NZ 3.44Å; G264-K338 PolarHBondContact O-N 2.75Å; V336-K338 HydrophobicContact CG1-CG 4.33Å; K338-H588 WeakPolarHBondContact CE-O 3.39Å; K338-H588 PolarHBondContact NZ-O 3.09Å; K338-G589 WeakPolarHBondContact CE-O 3.47Å; K338-G589 PolarHBondContact NZ-O 3.43Å; K338-M590 PolarHBondContact NZ-SD 2.93Å
339	W	93.6	Very high	88	Confident	19 Å²	19	44.8 Å²	44.8	7%	0.072	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120	-172.8	-59.4	-76.6	0	0	0	112.5	G116 E117 N263 G264 D265 F266 V341 V566	G116-W339 WeakPolarHBondContact O-CZ2 3.19Å; E117-W339 VanDerWaalsContact OE1-CH2 3.3Å; E117-W339 WeakPolarHBondContact OE1-CH2 3.37Å; N263-W339 WeakPolarHBondContact O-CZ3 3.39Å; G264-W339 PolarHBondContact O-N 2.85Å; G264-W339 VanDerWaalsContact O-N 3.13Å; D265-W339 CarbonylContact C-O 3.59Å; D265-W339 WeakPolarHBondContact CA-O 3.36Å; D265-W339 WeakPolarHBondContact OD1-CB 3.38Å; F266-W339 VanDerWaalsContact CD1-C 3.45Å; F266-W339 VanDerWaalsContact CD1-O 3.23Å; F266-W339 WeakPolarHBondContact CD1-O 3.3Å; F266-W339 PolarHBondContact N-O 3.46Å; W339-V341 PolarHBondContact O-N 3.4Å; W339-V566 HydrophobicContact CE3-CG1 4.09Å; W339-V566 HydrophobicContact CH2-CB 4.2Å; W339-V566 HydrophobicContact CH2-CG1 3.55Å; W339-V566 HydrophobicContact CH2-CG2 3.59Å; W339-V566 HydrophobicContact CZ3-CB 4.26Å; W339-V566 HydrophobicContact CZ3-CG1 3.28Å; W339-V566 HydrophobicContact CZ3-CG2 3.96Å
340	P	96.1	Very high	87.7	Confident	4 Å²	4	46 Å²	46	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	130	169	30	-39.4	0	0	0	110.5	I227 M231 F246 F266	I227-P340 HydrophobicContact CG2-CG 3.7Å; M231-P340 HydrophobicContact CE-CB 3.72Å; M231-P340 HydrophobicContact CE-CG 3.41Å; M231-P340 VanDerWaalsContact CE-CG 3.41Å; M231-P340 HydrophobicContact CG-CG 4.23Å; F246-P340 HydrophobicContact CB-CB 3.72Å; F246-P340 HydrophobicContact CD1-CB 3.65Å; F246-P340 HydrophobicContact CG-CB 3.8Å; F266-P340 HydrophobicContact CE1-CB 4.3Å; F266-P340 VanDerWaalsContact CE1-N 3.31Å; F266-P340 HydrophobicContact CE2-CB 4.16Å; F266-P340 HydrophobicContact CZ-CB 3.83Å; F266-P340 HydrophobicContact CZ-CG 4.47Å; F266-P340 CarbonylContact O-C 3.56Å
341	V	95.2	Very high	87.5	Confident	24 Å²	24	47.4 Å²	47.4	15%	0.145	26%	0.26	C	S	.	.			trans	-89.5	111.4	167.9	178.2	0	0	0	0	108.6	F246 H248 R259 L260 D265 F266 W339	F246-V341 WeakPolarHBondContact CA-O 3.28Å; F246-V341 WeakPolarHBondContact CB-O 3.08Å; H248-V341 PolarHBondContact NE2-O 3.11Å; R259-V341 WeakPolarHBondContact O-CG1 3.3Å; L260-V341 HydrophobicContact CD2-CB 4.35Å; L260-V341 HydrophobicContact CD2-CG2 3.8Å; D265-V341 HydrophobicContact CB-CG2 3.8Å; F266-V341 PolarHBondContact O-N 3.23Å; W339-V341 PolarHBondContact O-N 3.4Å
342	N	93.2	Very high	87.4	Confident	75 Å²	75	47 Å²	47	40%	0.401	26%	0.255	S	S	.	.			trans	-68.5	135.9	179.9	-70.2	-20.4	0	0	0	111.2	P245 P344	P245-N342 HydrophobicContact CB-CB 4.48Å; P245-N342 VanDerWaalsContact CB-OD1 3.23Å; P245-N342 WeakPolarHBondContact CB-OD1 3.46Å; P245-N342 CarbonylContact O-C 3.57Å; P245-N342 WeakPolarHBondContact O-CA 3.49Å; N342-P344 VanDerWaalsContact O-CD 3.31Å; N342-P344 WeakPolarHBondContact O-CD 3.48Å
343	C	89.1	Confident	87.1	Confident	7 Å²	7	48.5 Å²	48.5	5%	0.047	27%	0.266	C	S	.	.			trans	-80.6	111.6	168.9	-169.6	0	0	0	0	108.8	P245 Y247 H248 V345 R348	P245-C343 PolarHBondContact O-N 3.12Å; Y247-C343 WeakPolarHBondContact O-CB 3.35Å; H248-C343 PolarHBondContact NE2-N 3.28Å; C343-V345 PolarHBondContact O-N 3.33Å; C343-R348 HydrophobicContact CB-CG 4.48Å; C343-R348 PolarHBondContact O-NE 3.35Å
344	P	80.8	Confident	86.8	Confident	61 Å²	61	51 Å²	51	40%	0.396	29%	0.287	S	S	.	.			trans	-57.2	136.8	179.8	-22.6	33.5	0	0	0	110.5	N342 V346 R347 R348	N342-P344 VanDerWaalsContact O-CD 3.31Å; N342-P344 WeakPolarHBondContact O-CD 3.48Å; P344-V346 PolarHBondContact O-N 3.36Å; P344-R347 PolarHBondContact O-N 3.12Å; P344-R348 PolarHBondContact O-N 3.43Å
345	V	75.9	Confident	86.3	Confident	110 Å²	110	54.3 Å²	54.3	67%	0.667	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-51.8	-44.6	-175.5	179.1	0	0	0	0	111.5	C343 R347 R348	C343-V345 PolarHBondContact O-N 3.33Å; V345-R347 PolarHBondContact O-N 2.94Å; V345-R348 WeakPolarHBondContact O-CB 3.22Å; V345-R348 PolarHBondContact O-N 3.05Å
346	V	71.8	Confident	85.8	Confident	144 Å²	144	54.5 Å²	54.5	87%	0.873	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-58.1	-31.7	179.1	-173.6	0	0	0	0	112.8	P344	P344-V346 PolarHBondContact O-N 3.36Å
347	R	74.2	Confident	84.9	Confident	127 Å²	127	57.6 Å²	57.6	48%	0.479	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-93.7	-3.6	-179.4	-63.7	-165.7	-177.4	179.3	1.6	113.6	P344 V345 G349 Q350	P344-R347 PolarHBondContact O-N 3.12Å; V345-R347 PolarHBondContact O-N 2.94Å; R347-G349 VanDerWaalsContact C-N 3.28Å; R347-G349 PolarHBondContact O-N 2.88Å; R347-Q350 WeakPolarHBondContact O-CB 3.15Å; R347-Q350 PolarHBondContact O-N 2.86Å; R347-Q350 VanDerWaalsContact O-N 3.13Å
348	R	77.9	Confident	83.8	Confident	62 Å²	62	66 Å²	66	23%	0.234	36%	0.355	C	S	.	.	H	α-helix	trans	-61.5	-37.7	-178	-73.1	-177.9	-179.2	-170	-1.2	111.7	C343 P344 V345 Q350 R352	C343-R348 HydrophobicContact CB-CG 4.48Å; C343-R348 PolarHBondContact O-NE 3.35Å; P344-R348 PolarHBondContact O-N 3.43Å; V345-R348 WeakPolarHBondContact O-CB 3.22Å; V345-R348 PolarHBondContact O-N 3.05Å; R348-Q350 PolarHBondContact O-N 2.97Å; R348-R352 WeakPolarHBondContact O-CB 3.43Å; R348-R352 WeakPolarHBondContact O-CD 3.24Å; R348-R352 WeakPolarHBondContact O-CG 3.29Å
349	G	78.6	Confident	82	Confident	61 Å²	61	72.6 Å²	72.6	63%	0.629	39%	0.386	S	S	*	.	H	α-helix	trans	-68.6	-13.7	178.4	0	0	0	0	0	115.2	R347	R347-G349 VanDerWaalsContact C-N 3.28Å; R347-G349 PolarHBondContact O-N 2.88Å
350	Q	86.7	Confident	80.1	Confident	114 Å²	114	72.8 Å²	72.8	53%	0.533	39%	0.392	S	S	.	.	H	α-helix	trans	-74.9	-35.8	-172.6	-168.2	177.8	12.1	0	0	113.3	R347 R348	R347-Q350 WeakPolarHBondContact O-CB 3.15Å; R347-Q350 PolarHBondContact O-N 2.86Å; R347-Q350 VanDerWaalsContact O-N 3.13Å; R348-Q350 PolarHBondContact O-N 2.97Å
351	Y	88.4	Confident	77.9	Confident	38 Å²	38	80.8 Å²	80.8	15%	0.149	43%	0.431	C	S	.	.	H	α-helix	trans	-126.5	8.4	-174.1	-56.7	-61.8	0	0	0	113.3	G249 H250 L251 P252 Q255	G249-Y351 CarbonylContact C-O 3.59Å; G249-Y351 WeakPolarHBondContact CA-O 3.38Å; H250-Y351 PolarHBondContact N-O 2.85Å; L251-Y351 HydrophobicContact CB-CD2 4.45Å; L251-Y351 HydrophobicContact CB-CG 4.48Å; L251-Y351 HydrophobicContact CD1-CD2 3.49Å; L251-Y351 VanDerWaalsContact CD1-CD2 3.49Å; L251-Y351 HydrophobicContact CD1-CE2 3.39Å; L251-Y351 HydrophobicContact CD1-CG 4.12Å; P252-Y351 HydrophobicContact CG-CD1 4.45Å; P252-Y351 HydrophobicContact CG-CE1 4.2Å; Q255-Y351 PolarHBondContact NE2-OH 3.1Å; Q255-Y351 VanDerWaalsContact OE1-CZ 3.31Å; Q255-Y351 PolarHBondContact OE1-OH 2.86Å
352	R	87.6	Confident	75.7	Confident	24 Å²	24	86.2 Å²	86.2	9%	0.091	46%	0.46	C	S	.	.			trans	-105.1	125	179.1	-71	-175.9	-174.3	-152.1	-0.5	108.3	T242 Y247 R348 C356	T242-R352 PolarHBondContact O-NH1 3.22Å; Y247-R352 HydrophobicContact CE1-CG 4.43Å; Y247-R352 PolarHBondContact O-NH2 3.29Å; R348-R352 WeakPolarHBondContact O-CB 3.43Å; R348-R352 WeakPolarHBondContact O-CD 3.24Å; R348-R352 WeakPolarHBondContact O-CG 3.29Å; R352-C356 HydrophobicContact CB-CB 3.45Å; R352-C356 VanDerWaalsContact CB-CB 3.45Å; R352-C356 HydrophobicContact CG-CB 3.86Å
353	C	87	Confident	73.7	Confident	47 Å²	47	84.3 Å²	84.3	32%	0.318	45%	0.452	S	S	.	.			trans	-73.2	177.9	173.3	75.7	0	0	0	0	110.5	H275 E355 C356 C357	H275-C353 PolarHBondContact CE1-SG 3.13Å; H275-C353 PolarHBondContact NE2-SG 2.93Å; H275-C353 VanDerWaalsContact NE2-SG 3.39Å; C353-E355 PolarHBondContact O-N 3Å; C353-E355 PolarHBondContact SG-N 2.97Å; C353-E355 VanDerWaalsContact SG-N 3.45Å; C353-C356 WeakPolarHBondContact O-CB 3.2Å; C353-C356 PolarHBondContact O-N 3.03Å; C353-C356 VanDerWaalsContact O-N 3.15Å; C353-C357 PolarHBondContact O-N 3.3Å; C353-C357 VanDerWaalsContact O-N 3.1Å; C353-C357 PolarHBondContact O-SG 2.78Å
354	C	82.4	Confident	71.9	Confident	109 Å²	109	93.9 Å²	93.9	74%	0.736	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-36.4	178.3	57.3	0	0	0	0	113.1	C357 R358	C354-C357 CarbonylContact O-C 3.48Å; C354-C357 PolarHBondContact O-N 2.85Å; C354-R358 PolarHBondContact O-N 3Å
355	E	78.6	Confident	71	Confident	98 Å²	98	96.6 Å²	96.6	46%	0.458	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-38.6	177.4	-67.1	-171.4	176.9	0	0	112.6	H275 C353 C357 R358	H275-E355 IonicContact CD2-OE2 3.3Å; H275-E355 VanDerWaalsContact NE2-CB 3.35Å; H275-E355 WeakPolarHBondContact NE2-CB 3.34Å; H275-E355 IonicContact NE2-OE2 3.99Å; C353-E355 PolarHBondContact O-N 3Å; C353-E355 PolarHBondContact SG-N 2.97Å; C353-E355 VanDerWaalsContact SG-N 3.45Å; E355-C357 PolarHBondContact O-N 3.34Å; E355-R358 WeakPolarHBondContact O-CB 3.49Å; E355-R358 PolarHBondContact O-N 2.75Å
356	C	81	Confident	70.3	Confident	3 Å²	3	93.3 Å²	93.3	2%	0.02	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.8	171.4	-64.8	0	0	0	0	112.9	Y247 H275 R352 C353	Y247-C356 HydrophobicContact CE1-CB 4.18Å; Y247-C356 PolarHBondContact OH-SG 2.58Å; H275-C356 PolarHBondContact CE1-SG 2.94Å; R352-C356 HydrophobicContact CB-CB 3.45Å; R352-C356 VanDerWaalsContact CB-CB 3.45Å; R352-C356 HydrophobicContact CG-CB 3.86Å; C353-C356 WeakPolarHBondContact O-CB 3.2Å; C353-C356 PolarHBondContact O-N 3.03Å; C353-C356 VanDerWaalsContact O-N 3.15Å
357	C	75.4	Confident	70.2	Confident	68 Å²	68	92.8 Å²	92.8	46%	0.459	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-6.4	-179.2	-65.9	0	0	0	0	112.8	C353 C354 E355 E359	C353-C357 PolarHBondContact O-N 3.3Å; C353-C357 VanDerWaalsContact O-N 3.1Å; C353-C357 PolarHBondContact O-SG 2.78Å; C354-C357 CarbonylContact O-C 3.48Å; C354-C357 PolarHBondContact O-N 2.85Å; E355-C357 PolarHBondContact O-N 3.34Å; C357-E359 PolarHBondContact O-N 2.88Å; C357-E359 VanDerWaalsContact O-N 3.1Å
358	R	71.8	Confident	70.2	Confident	179 Å²	179	89.9 Å²	89.9	68%	0.675	48%	0.478	S	S	*	.	S	Bend	trans	-63	117.9	172.9	-172.2	178.7	-83.1	154.6	-4.5	107	C354 E355 A360	C354-R358 PolarHBondContact O-N 3Å; E355-R358 WeakPolarHBondContact O-CB 3.49Å; E355-R358 PolarHBondContact O-N 2.75Å; R358-A360 PolarHBondContact O-N 3.21Å
359	E	56.6	Low	70.3	Confident	150 Å²	150	90.3 Å²	90.3	70%	0.701	48%	0.482	S	S	*	.			trans	-59.9	110.9	171.5	-66.4	-176.9	173.9	0	0	106.9	C357 M361	C357-E359 PolarHBondContact O-N 2.88Å; C357-E359 VanDerWaalsContact O-N 3.1Å; E359-M361 PolarHBondContact O-N 3.11Å
360	A	54.5	Low	70.5	Confident	24 Å²	24	91.6 Å²	91.6	20%	0.198	47%	0.473	C	S	.	.			trans	-67.9	92.4	167	0	0	0	0	0	105.9	H240 R358 D362 C363	H240-A360 HydrophobicContact CB-CB 4.15Å; R358-A360 PolarHBondContact O-N 3.21Å; A360-D362 PolarHBondContact O-N 3.18Å; A360-C363 PolarHBondContact O-N 2.86Å; A360-C363 PolarHBondContact O-SG 3.42Å
361	M	48.7	Very low	70.3	Confident	171 Å²	171	87.3 Å²	87.3	84%	0.842	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-16.9	179.6	-71	-131.7	-88.2	0	0	112.5	E359	E359-M361 PolarHBondContact O-N 3.11Å
362	D	48.5	Very low	70.4	Confident	139 Å²	139	85.8 Å²	85.8	74%	0.743	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	21.2	-177.1	-60	-32.7	0	0	0	114.5	A360 Y364	A360-D362 PolarHBondContact O-N 3.18Å; D362-Y364 PolarHBondContact O-N 2.83Å
363	C	51.9	Low	70.7	Confident	35 Å²	35	88.6 Å²	88.6	24%	0.236	46%	0.461	C	S	.	.			trans	-77.3	72.4	171.7	60.5	0	0	0	0	111.1	H240 A360 H365	H240-C363 HydrophobicContact CB-CB 4.36Å; A360-C363 PolarHBondContact O-N 2.86Å; A360-C363 PolarHBondContact O-SG 3.42Å; C363-H365 PolarHBondContact O-N 3.1Å
364	Y	52	Low	71.1	Confident	207 Å²	207	86.3 Å²	86.3	81%	0.812	45%	0.446	S	S	*	.			trans	-56.2	105.4	158.9	-80.1	-84	0	0	0	108	D362 G366	D362-Y364 PolarHBondContact O-N 2.83Å; Y364-G366 VanDerWaalsContact C-N 3.3Å; Y364-G366 PolarHBondContact O-N 3.05Å
365	H	60.8	Low	71.7	Confident	118 Å²	118	81.2 Å²	81.2	55%	0.546	41%	0.411	S	S	.	.			trans	-68.9	94.8	165	-64	-55.3	0	0	0	107.1	C363	C363-H365 PolarHBondContact O-N 3.1Å
366	G	62.4	Low	72.3	Confident	41 Å²	41	78.2 Å²	78.2	42%	0.423	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-61.3	166.1	170.7	0	0	0	0	0	110.9	K237 Y364	K237-G366 PolarHBondContact O-N 3.19Å; Y364-G366 VanDerWaalsContact C-N 3.3Å; Y364-G366 PolarHBondContact O-N 3.05Å
367	V	69	Low	72.9	Confident	134 Å²	134	79 Å²	79	81%	0.812	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-54.6	129.4	167	-179.9	0	0	0	0	107.7	K369	V367-K369 PolarHBondContact O-N 3.4Å
368	P	75.3	Confident	73.8	Confident	66 Å²	66	76.2 Å²	76.2	43%	0.429	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-52.5	130.7	178.5	-19.7	25.3	0	0	0	110.5	A236 K237	A236-P368 WeakPolarHBondContact O-CA 3.44Å; K237-P368 HydrophobicContact CG-CB 4.18Å; K237-P368 HydrophobicContact CG-CG 3.94Å
369	K	78.6	Confident	74.8	Confident	71 Å²	71	68.6 Å²	68.6	31%	0.309	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-64.7	170.3	171.2	-69.4	-171.9	179.1	173.5	0	110.6	G235 A236 E320 V367	G235-K369 WeakPolarHBondContact CA-O 3.26Å; G235-K369 PolarHBondContact N-O 3.2Å; A236-K369 PolarHBondContact O-N 3.03Å; E320-K369 VanDerWaalsContact OE1-CD 3.24Å; E320-K369 WeakPolarHBondContact OE1-CD 3.2Å; E320-K369 WeakPolarHBondContact OE1-CE 3.45Å; E320-K369 IonicContact OE1-NZ 2.69Å; E320-K369 PolarHBondContact OE1-NZ 3.43Å; E320-K369 IonicContact OE2-NZ 3Å; V367-K369 PolarHBondContact O-N 3.4Å
370	I	83	Confident	76.6	Confident	88 Å²	88	62.2 Å²	62.2	45%	0.451	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-64.8	152.2	164.8	-62.5	171	0	0	0	108.5	L372 D460	I370-L372 PolarHBondContact O-N 3.44Å; I370-L372 VanDerWaalsContact O-N 3.16Å; I370-D460 HydrophobicContact CD1-CB 4.34Å
371	S	82.3	Confident	78.6	Confident	24 Å²	24	62 Å²	62	17%	0.168	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-57.7	118.3	172.7	-174.2	0	0	0	0	110.1	H232	H232-S371 WeakPolarHBondContact O-CB 3.49Å; H232-S371 PolarHBondContact O-OG 3.49Å
372	L	90.3	Very high	80.7	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.031	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-89.7	145.8	-175	-61.5	179.4	0	0	0	110.8	V315 E320 A324 I370 E457	V315-L372 HydrophobicContact CG1-CD1 4.1Å; E320-L372 HydrophobicContact CG-CD1 4.46Å; A324-L372 WeakPolarHBondContact CA-O 3.32Å; A324-L372 HydrophobicContact CB-CB 4.04Å; I370-L372 PolarHBondContact O-N 3.44Å; I370-L372 VanDerWaalsContact O-N 3.16Å; L372-E457 HydrophobicContact CD2-CG 3.35Å
373	R	94.5	Very high	82.7	Confident	82 Å²	82	48.3 Å²	48.3	31%	0.309	26%	0.257	S	S	.	.			trans	-136.5	133.1	170.4	-71.8	-173.5	-169.4	-178.9	5.4	109.5	A327 S377 L378	A327-R373 HydrophobicContact CB-CG 4.3Å; R373-S377 WeakPolarHBondContact CB-OG 3.41Å; R373-L378 HydrophobicContact CB-CD2 3.66Å
374	P	95.1	Very high	84.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.			trans	-58.3	148.4	171.8	-24.9	35.5	0	0	0	111.1	L303 A324 C376 S377 L378	L303-P374 HydrophobicContact CB-CB 4.14Å; L303-P374 HydrophobicContact CB-CG 4.05Å; L303-P374 HydrophobicContact CD1-CB 4.36Å; L303-P374 HydrophobicContact CD1-CG 4.1Å; L303-P374 HydrophobicContact CD2-CG 4.38Å; L303-P374 HydrophobicContact CG-CG 4.41Å; A324-P374 VanDerWaalsContact O-CD 3.28Å; A324-P374 WeakPolarHBondContact O-CD 3.11Å; P374-C376 PolarHBondContact O-N 3.39Å; P374-S377 WeakPolarHBondContact CD-OG 3.48Å; P374-S377 WeakPolarHBondContact O-CA 3.37Å; P374-S377 PolarHBondContact O-N 3.13Å; P374-S377 PolarHBondContact O-OG 2.92Å; P374-L378 PolarHBondContact O-N 2.96Å
375	L	95.7	Very high	86.5	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-47.7	-40.4	179.8	175.1	62.6	0	0	0	112.6	Q310 P311 E313 S377 L378 Y381 V403 L412 V455	Q310-L375 HydrophobicContact CB-CD2 4.33Å; Q310-L375 HydrophobicContact CG-CD2 4.21Å; P311-L375 HydrophobicContact CG-CD2 4.04Å; E313-L375 WeakPolarHBondContact OE2-CB 3.4Å; E313-L375 PolarHBondContact OE2-N 2.98Å; L375-S377 PolarHBondContact O-N 3.37Å; L375-S377 VanDerWaalsContact O-N 3.16Å; L375-L378 HydrophobicContact CD1-CD1 4.06Å; L375-L378 PolarHBondContact O-N 2.87Å; L375-Y381 HydrophobicContact CD1-CD2 3.49Å; L375-Y381 VanDerWaalsContact CD1-CD2 3.49Å; L375-Y381 HydrophobicContact CD1-CE2 3.98Å; L375-Y381 HydrophobicContact CD1-CG 3.89Å; L375-Y381 HydrophobicContact CD2-CD2 4.44Å; L375-Y381 HydrophobicContact CD2-CE2 4.08Å; L375-Y381 HydrophobicContact CG-CD2 3.96Å; L375-Y381 HydrophobicContact CG-CE2 4.05Å; L375-Y381 HydrophobicContact CG-CG 4.21Å; L375-Y381 WeakPolarHBondContact O-CB 3.27Å; L375-V403 HydrophobicContact CD1-CG1 4.1Å; L375-L412 HydrophobicContact CD2-CD1 3.94Å; L375-L412 HydrophobicContact CD2-CD2 4.22Å; L375-V455 HydrophobicContact CD1-CB 4.13Å; L375-V455 HydrophobicContact CD1-CG1 3.99Å; L375-V455 HydrophobicContact CD1-CG2 4.19Å; L375-V455 HydrophobicContact CD2-CG2 4.38Å
376	C	91.3	Very high	88	Confident	35 Å²	35	44.8 Å²	44.8	24%	0.236	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-66.6	-13.4	-178.6	66.6	0	0	0	0	114.3	P304 T306 P374	P304-C376 PolarHBondContact O-SG 2.93Å; T306-C376 HydrophobicContact CG2-CB 3.8Å; P374-C376 PolarHBondContact O-N 3.39Å
377	S	92.4	Very high	89.3	Confident	20 Å²	20	45.4 Å²	45.4	14%	0.14	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-110.8	1.2	179.9	68.4	0	0	0	0	113.7	G328 R373 P374 L375	G328-S377 WeakPolarHBondContact CA-OG 3.32Å; G328-S377 WeakPolarHBondContact O-CB 3.44Å; R373-S377 WeakPolarHBondContact CB-OG 3.41Å; P374-S377 WeakPolarHBondContact CD-OG 3.48Å; P374-S377 WeakPolarHBondContact O-CA 3.37Å; P374-S377 PolarHBondContact O-N 3.13Å; P374-S377 PolarHBondContact O-OG 2.92Å; L375-S377 PolarHBondContact O-N 3.37Å; L375-S377 VanDerWaalsContact O-N 3.16Å
378	L	94.3	Very high	90.2	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.042	20%	0.199	C	C	.	.			trans	-74.7	126.6	179.3	-64.3	178.1	0	0	0	110.3	R373 P374 L375 Y380 Y381 V455	R373-L378 HydrophobicContact CB-CD2 3.66Å; P374-L378 PolarHBondContact O-N 2.96Å; L375-L378 HydrophobicContact CD1-CD1 4.06Å; L375-L378 PolarHBondContact O-N 2.87Å; L378-Y380 HydrophobicContact CB-CD2 4.4Å; L378-Y380 HydrophobicContact CB-CE2 4.13Å; L378-Y380 HydrophobicContact CD1-CE2 3.77Å; L378-Y380 HydrophobicContact CD2-CE1 4.47Å; L378-Y380 HydrophobicContact CG-CE2 4.41Å; L378-Y380 PolarHBondContact O-N 2.62Å; L378-Y380 VanDerWaalsContact O-N 3.14Å; L378-Y381 WeakPolarHBondContact O-CB 3.32Å; L378-Y381 PolarHBondContact O-N 3.5Å; L378-V455 HydrophobicContact CD1-CB 4.45Å; L378-V455 HydrophobicContact CD1-CG1 4.33Å
379	P	93.1	Very high	90.8	Very high	20 Å²	20	45 Å²	45	13%	0.13	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.2	-179.7	-25.8	34.9	0	0	0	114.1	I485 S486 F489	P379-I485 HydrophobicContact CB-CD1 3.67Å; P379-I485 HydrophobicContact CB-CG2 4.15Å; P379-I485 WeakPolarHBondContact O-CA 3.35Å; P379-S486 PolarHBondContact O-N 2.71Å; P379-F489 HydrophobicContact CB-CD1 4.2Å; P379-F489 HydrophobicContact CB-CD2 4.36Å; P379-F489 HydrophobicContact CB-CE1 4.03Å; P379-F489 HydrophobicContact CB-CE2 4.23Å; P379-F489 HydrophobicContact CB-CG 4.34Å; P379-F489 HydrophobicContact CB-CZ 4.06Å; P379-F489 HydrophobicContact CG-CE1 4.3Å; P379-F489 HydrophobicContact CG-CE2 4.07Å; P379-F489 HydrophobicContact CG-CZ 3.89Å
380	Y	95.6	Very high	91.2	Very high	15 Å²	15	46.1 Å²	46.1	6%	0.059	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	11.9	179.2	54.9	-102.1	0	0	0	113.6	L378 H382 Y401 V403 V459 P483 V484	L378-Y380 HydrophobicContact CB-CD2 4.4Å; L378-Y380 HydrophobicContact CB-CE2 4.13Å; L378-Y380 HydrophobicContact CD1-CE2 3.77Å; L378-Y380 HydrophobicContact CD2-CE1 4.47Å; L378-Y380 HydrophobicContact CG-CE2 4.41Å; L378-Y380 PolarHBondContact O-N 2.62Å; L378-Y380 VanDerWaalsContact O-N 3.14Å; Y380-H382 PolarHBondContact O-CD2 3.19Å; Y380-H382 VanDerWaalsContact O-CD2 3.28Å; Y380-Y401 HydrophobicContact CD1-CE2 4.33Å; Y380-Y401 HydrophobicContact CD2-CE2 4.43Å; Y380-Y401 HydrophobicContact CG-CE2 4.28Å; Y380-V403 HydrophobicContact CD2-CB 4.47Å; Y380-V403 HydrophobicContact CD2-CG2 4.03Å; Y380-V403 HydrophobicContact CE2-CG2 4.09Å; Y380-V403 PolarHBondContact O-N 2.94Å; Y380-V459 HydrophobicContact CE2-CB 4.32Å; Y380-V459 HydrophobicContact CE2-CG1 3.96Å; Y380-V459 HydrophobicContact CE2-CG2 4.24Å; Y380-P483 HydrophobicContact CD1-CB 3.74Å; Y380-P483 HydrophobicContact CG-CB 4.11Å; Y380-V484 VanDerWaalsContact CA-O 3.31Å; Y380-V484 WeakPolarHBondContact CA-O 3.25Å; Y380-V484 WeakPolarHBondContact CB-O 3.36Å
381	Y	95.2	Very high	91.4	Very high	20 Å²	20	42 Å²	42	8%	0.078	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	116.6	168.9	179.7	-116.1	0	0	0	110.1	L375 L378 G383 V403 L412 S486	L375-Y381 HydrophobicContact CD1-CD2 3.49Å; L375-Y381 VanDerWaalsContact CD1-CD2 3.49Å; L375-Y381 HydrophobicContact CD1-CE2 3.98Å; L375-Y381 HydrophobicContact CD1-CG 3.89Å; L375-Y381 HydrophobicContact CD2-CD2 4.44Å; L375-Y381 HydrophobicContact CD2-CE2 4.08Å; L375-Y381 HydrophobicContact CG-CD2 3.96Å; L375-Y381 HydrophobicContact CG-CE2 4.05Å; L375-Y381 HydrophobicContact CG-CG 4.21Å; L375-Y381 WeakPolarHBondContact O-CB 3.27Å; L378-Y381 WeakPolarHBondContact O-CB 3.32Å; L378-Y381 PolarHBondContact O-N 3.5Å; Y381-G383 VanDerWaalsContact C-N 3.35Å; Y381-V403 CarbonylContact C-O 3.6Å; Y381-V403 WeakPolarHBondContact CA-O 3.11Å; Y381-V403 HydrophobicContact CD2-CB 4.42Å; Y381-V403 HydrophobicContact CD2-CG1 4.16Å; Y381-L412 HydrophobicContact CE2-CD1 4.18Å; Y381-S486 VanDerWaalsContact O-CB 3.3Å; Y381-S486 WeakPolarHBondContact O-CB 3.37Å; Y381-S486 PolarHBondContact O-OG 3.08Å
382	H	93.4	Very high	91.5	Very high	11 Å²	11	45.1 Å²	45.1	5%	0.051	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	14.3	-176	-64.6	-89.8	0	0	0	113.7	Y380 K385 L391 V403 V484	Y380-H382 PolarHBondContact O-CD2 3.19Å; Y380-H382 VanDerWaalsContact O-CD2 3.28Å; H382-K385 WeakPolarHBondContact O-CE 3.17Å; H382-L391 HydrophobicContact CB-CD1 3.93Å; H382-L391 HydrophobicContact CB-CD2 4.17Å; H382-V403 PolarHBondContact N-O 3.33Å; H382-V484 PolarHBondContact NE2-O 3.45Å
383	G	91.5	Very high	91.3	Very high	11 Å²	11	51.7 Å²	51.7	11%	0.113	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70	-142.9	178.6	0	0	0	0	0	113	Y381 Y404 F405	Y381-G383 VanDerWaalsContact C-N 3.35Å; G383-Y404 WeakPolarHBondContact O-CA 3.39Å; G383-Y404 WeakPolarHBondContact O-CB 3.44Å; G383-F405 PolarHBondContact O-N 3.05Å
384	E	91.1	Very high	90.9	Very high	62 Å²	62	51.5 Å²	51.5	29%	0.29	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.4	-177.9	-66.9	157.5	-113.3	0	0	110.1	N307 L309 F405 T407 R522	N307-E384 PolarHBondContact ND2-OE1 2.89Å; N307-E384 PolarHBondContact ND2-OE2 2.93Å; L309-E384 HydrophobicContact CD1-CG 4.43Å; L309-E384 WeakPolarHBondContact CD1-OE2 3.5Å; E384-F405 WeakPolarHBondContact CA-O 3.3Å; E384-F405 HydrophobicContact CG-CB 4.3Å; E384-F405 HydrophobicContact CG-CD1 4.28Å; E384-T407 HydrophobicContact CB-CG2 3.83Å; E384-T407 HydrophobicContact CG-CG2 4.38Å; E384-R522 IonicContact OE1-CZ 3.83Å; E384-R522 IonicContact OE1-NH1 3.4Å; E384-R522 IonicContact OE1-NH2 3.18Å; E384-R522 PolarHBondContact OE1-NH2 3.41Å; E384-R522 IonicContact OE2-NH2 3.68Å
385	K	91.9	Very high	90.7	Very high	52 Å²	52	51.7 Å²	51.7	23%	0.226	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.8	174.9	-54.1	-70.7	171.2	-178.4	0	110.4	H382 E390 L391 Y404 F405 C406 T407	H382-K385 WeakPolarHBondContact O-CE 3.17Å; K385-E390 HydrophobicContact CD-CB 4.28Å; K385-E390 VanDerWaalsContact CD-OE2 3.24Å; K385-E390 WeakPolarHBondContact CD-OE2 3.46Å; K385-L391 HydrophobicContact CD-CD2 4.46Å; K385-L391 HydrophobicContact CG-CD1 4.24Å; K385-L391 HydrophobicContact CG-CG 4.33Å; K385-Y404 HydrophobicContact CB-CD2 3.54Å; K385-Y404 HydrophobicContact CB-CE2 3.89Å; K385-Y404 HydrophobicContact CB-CG 4.46Å; K385-Y404 HydrophobicContact CG-CD2 3.99Å; K385-Y404 HydrophobicContact CG-CG 4.47Å; K385-F405 PolarHBondContact N-O 3.12Å; K385-C406 CarbonylContact O-C 3.52Å; K385-C406 VanDerWaalsContact O-CA 3.29Å; K385-C406 WeakPolarHBondContact O-CA 3.17Å; K385-T407 PolarHBondContact O-N 2.76Å; K385-T407 PolarHBondContact O-OG1 3.48Å
386	R	91.2	Very high	90.3	Very high	173 Å²	173	56.5 Å²	56.5	65%	0.653	27%	0.269	S	S	*	.	S	Bend	trans	-73.3	-42.9	177.9	-171.5	-178.6	179.5	-177	-2.5	111	E390 C406 T407 S408	R386-E390 WeakPolarHBondContact CB-OE1 3.38Å; R386-E390 PolarHBondContact N-OE1 2.98Å; R386-C406 PolarHBondContact O-SG 2.93Å; R386-C406 VanDerWaalsContact O-SG 3.36Å; R386-T407 WeakPolarHBondContact CA-OG1 3.48Å; R386-S408 WeakPolarHBondContact O-CB 3.39Å; R386-S408 PolarHBondContact O-OG 2.81Å
387	D	89.6	Confident	90.4	Very high	54 Å²	54	57.8 Å²	57.8	29%	0.289	28%	0.279	S	S	.	.	S	Bend	trans	-148.6	161.8	-175.9	69.8	69.6	0	0	0	111	Y389 E390	D387-Y389 VanDerWaalsContact C-N 3.26Å; D387-Y389 PolarHBondContact O-N 3.2Å; D387-Y389 WeakPolarHBondContact OD1-CA 3.41Å; D387-Y389 VanDerWaalsContact OD1-CB 3.24Å; D387-Y389 WeakPolarHBondContact OD1-CB 3.49Å; D387-Y389 PolarHBondContact OD1-N 2.87Å; D387-E390 PolarHBondContact OD1-N 3.43Å
388	P	88.6	Confident	90.4	Very high	24 Å²	24	61.2 Å²	61.2	16%	0.156	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-73.1	-14.9	-176.9	29.1	-35.4	0	0	0	113.9	E390 L391 K392 Y404 L415 V428 C430	P388-E390 VanDerWaalsContact C-N 3.27Å; P388-E390 PolarHBondContact O-N 3.23Å; P388-L391 PolarHBondContact O-N 3.32Å; P388-L391 VanDerWaalsContact O-N 3.12Å; P388-K392 PolarHBondContact O-N 2.82Å; P388-Y404 WeakPolarHBondContact CD-OH 3.27Å; P388-L415 HydrophobicContact CB-CD2 3.66Å; P388-L415 HydrophobicContact CB-CG 4.45Å; P388-V428 HydrophobicContact CB-CG2 4.24Å; P388-C430 VanDerWaalsContact CB-SG 3.58Å
389	Y	87.9	Confident	90.4	Very high	168 Å²	168	60.9 Å²	60.9	66%	0.659	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-71.1	-25.6	-179	-62.9	-78	0	0	0	112	D387 L391 K392	D387-Y389 VanDerWaalsContact C-N 3.26Å; D387-Y389 PolarHBondContact O-N 3.2Å; D387-Y389 WeakPolarHBondContact OD1-CA 3.41Å; D387-Y389 VanDerWaalsContact OD1-CB 3.24Å; D387-Y389 WeakPolarHBondContact OD1-CB 3.49Å; D387-Y389 PolarHBondContact OD1-N 2.87Å; Y389-L391 PolarHBondContact O-N 3.48Å; Y389-K392 HydrophobicContact CD1-CD 4.25Å; Y389-K392 WeakPolarHBondContact O-CB 3.5Å; Y389-K392 PolarHBondContact O-N 3.4Å; Y389-K392 VanDerWaalsContact O-N 3.07Å
390	E	86.5	Confident	90.5	Very high	94 Å²	94	60.4 Å²	60.4	44%	0.439	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-55	-18.6	168.8	-68.4	-173.8	-132.1	0	0	113.7	K385 R386 D387 P388	K385-E390 HydrophobicContact CD-CB 4.28Å; K385-E390 VanDerWaalsContact CD-OE2 3.24Å; K385-E390 WeakPolarHBondContact CD-OE2 3.46Å; R386-E390 WeakPolarHBondContact CB-OE1 3.38Å; R386-E390 PolarHBondContact N-OE1 2.98Å; D387-E390 PolarHBondContact OD1-N 3.43Å; P388-E390 VanDerWaalsContact C-N 3.27Å; P388-E390 PolarHBondContact O-N 3.23Å
391	L	87.5	Confident	90.6	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-111.2	-7.3	-179.2	-62.2	176.8	0	0	0	113.3	H382 K385 P388 Y389 D393 R394 F395 Y404 L415	H382-L391 HydrophobicContact CB-CD1 3.93Å; H382-L391 HydrophobicContact CB-CD2 4.17Å; K385-L391 HydrophobicContact CD-CD2 4.46Å; K385-L391 HydrophobicContact CG-CD1 4.24Å; K385-L391 HydrophobicContact CG-CG 4.33Å; P388-L391 PolarHBondContact O-N 3.32Å; P388-L391 VanDerWaalsContact O-N 3.12Å; Y389-L391 PolarHBondContact O-N 3.48Å; L391-D393 VanDerWaalsContact C-N 3.32Å; L391-D393 PolarHBondContact O-N 3.18Å; L391-R394 WeakPolarHBondContact O-CB 3.16Å; L391-R394 PolarHBondContact O-N 2.92Å; L391-F395 HydrophobicContact CB-CD2 4.26Å; L391-F395 HydrophobicContact CB-CE2 3.92Å; L391-F395 HydrophobicContact CD1-CE2 4.5Å; L391-F395 VanDerWaalsContact O-CD2 3.3Å; L391-F395 WeakPolarHBondContact O-CD2 3.3Å; L391-Y404 HydrophobicContact CD1-CG 4.47Å; L391-L415 HydrophobicContact CB-CD2 4.36Å; L391-L415 HydrophobicContact CD1-CD1 4.25Å; L391-L415 HydrophobicContact CD1-CD2 4.19Å
392	K	84.3	Confident	90.7	Very high	89 Å²	89	59.5 Å²	59.5	39%	0.387	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-52.7	-45.9	-166.6	-175.8	-176	174.3	-170.3	0	113.1	P388 Y389 R394 F395	P388-K392 PolarHBondContact O-N 2.82Å; Y389-K392 HydrophobicContact CD1-CD 4.25Å; Y389-K392 WeakPolarHBondContact O-CB 3.5Å; Y389-K392 PolarHBondContact O-N 3.4Å; Y389-K392 VanDerWaalsContact O-N 3.07Å; K392-R394 PolarHBondContact O-N 3.23Å; K392-F395 PolarHBondContact O-N 3.19Å; K392-F395 VanDerWaalsContact O-N 3.11Å
393	D	85.9	Confident	90.8	Very high	145 Å²	145	59 Å²	59	78%	0.775	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-67.4	-8.8	-173.8	-55.7	-31.1	0	0	0	113.8	L391	L391-D393 VanDerWaalsContact C-N 3.32Å; L391-D393 PolarHBondContact O-N 3.18Å
394	R	86.1	Confident	91	Very high	77 Å²	77	58.5 Å²	58.5	29%	0.291	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-95	-18.4	179.1	-50.9	174.4	-177	-130.3	-8.6	113.3	L391 K392 V396 V484 D487	L391-R394 WeakPolarHBondContact O-CB 3.16Å; L391-R394 PolarHBondContact O-N 2.92Å; K392-R394 PolarHBondContact O-N 3.23Å; R394-V396 PolarHBondContact O-N 2.89Å; R394-V484 HydrophobicContact CB-CG1 3.98Å; R394-D487 VanDerWaalsContact CZ-CG 3.41Å; R394-D487 IonicContact CZ-OD1 2.83Å; R394-D487 IonicContact CZ-OD2 2.68Å; R394-D487 IonicContact NH1-OD1 3.22Å; R394-D487 PolarHBondContact NH1-OD1 2.86Å; R394-D487 IonicContact NH1-OD2 2.72Å; R394-D487 PolarHBondContact NH1-OD2 3.23Å; R394-D487 VanDerWaalsContact NH2-CG 3.27Å; R394-D487 IonicContact NH2-OD1 2.8Å; R394-D487 IonicContact NH2-OD2 3.55Å; R394-D487 PolarHBondContact NH2-OD2 2.93Å
395	F	91.2	Very high	91.2	Very high	5 Å²	5	56.2 Å²	56.2	2%	0.022	27%	0.268	C	S	.	.			trans	-99.1	78.3	-175.5	-77.5	-106	0	0	0	108	L391 K392 D400 L415 C417 V428 V484	L391-F395 HydrophobicContact CB-CD2 4.26Å; L391-F395 HydrophobicContact CB-CE2 3.92Å; L391-F395 HydrophobicContact CD1-CE2 4.5Å; L391-F395 VanDerWaalsContact O-CD2 3.3Å; L391-F395 WeakPolarHBondContact O-CD2 3.3Å; K392-F395 PolarHBondContact O-N 3.19Å; K392-F395 VanDerWaalsContact O-N 3.11Å; F395-D400 HydrophobicContact CD1-CB 4.09Å; F395-D400 WeakPolarHBondContact CD1-O 3.27Å; F395-L415 HydrophobicContact CD1-CB 4.44Å; F395-L415 HydrophobicContact CE1-CB 3.76Å; F395-L415 HydrophobicContact CE2-CD2 4.46Å; F395-L415 HydrophobicContact CZ-CB 4Å; F395-L415 HydrophobicContact CZ-CD1 4.49Å; F395-L415 HydrophobicContact CZ-CD2 4.34Å; F395-C417 HydrophobicContact CB-CB 4.05Å; F395-C417 HydrophobicContact CD1-CB 4.4Å; F395-C417 PolarHBondContact O-SG 3Å; F395-V428 HydrophobicContact CB-CG1 3.82Å; F395-V428 HydrophobicContact CG-CG1 4.13Å; F395-V484 HydrophobicContact CD1-CG2 3.9Å; F395-V484 HydrophobicContact CD2-CG1 4.48Å; F395-V484 HydrophobicContact CD2-CG2 4.31Å; F395-V484 HydrophobicContact CE1-CB 4.37Å; F395-V484 HydrophobicContact CE1-CG2 3.85Å; F395-V484 HydrophobicContact CE2-CB 4.24Å; F395-V484 HydrophobicContact CE2-CG1 4.17Å; F395-V484 HydrophobicContact CE2-CG2 4.24Å; F395-V484 HydrophobicContact CG-CG2 4.15Å; F395-V484 HydrophobicContact CZ-CB 4.07Å; F395-V484 HydrophobicContact CZ-CG1 4.5Å; F395-V484 HydrophobicContact CZ-CG2 4.02Å
396	V	88.5	Confident	91.3	Very high	102 Å²	102	54 Å²	54	62%	0.618	26%	0.258	S	S	*	.			trans	-92.9	-40	-167.4	-176.1	0	0	0	0	111.6	R394 D400	R394-V396 PolarHBondContact O-N 2.89Å; V396-D400 PolarHBondContact N-OD2 3.21Å; V396-D400 VanDerWaalsContact N-OD2 3.12Å
397	S	91.5	Very high	91.4	Very high	63 Å²	63	48.5 Å²	48.5	44%	0.441	24%	0.244	S	C	.	.	S	Bend	trans	-100.4	144.8	-174.2	-58	0	0	0	0	111.5	G399 D400 C417	S397-G399 PolarHBondContact O-N 3Å; S397-D400 PolarHBondContact N-OD2 2.9Å; S397-D400 WeakPolarHBondContact O-CB 3.28Å; S397-D400 PolarHBondContact O-N 2.88Å; S397-C417 WeakPolarHBondContact O-CB 3.43Å; S397-C417 PolarHBondContact O-SG 3.1Å
398	I	92.6	Very high	91.5	Very high	92 Å²	92	49.7 Å²	49.7	47%	0.472	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	131.7	175.5	-61.1	174.4	0	0	0	109.7	D400 Q419	I398-D400 VanDerWaalsContact C-N 3.25Å; I398-D400 PolarHBondContact O-N 3.41Å; I398-Q419 HydrophobicContact CD1-CB 3.7Å; I398-Q419 HydrophobicContact CG1-CB 3.8Å
399	G	94.2	Very high	91.7	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.01	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	4.3	179.7	0	0	0	0	0	114.8	S397 Y401 C417 R479 L481 K482	S397-G399 PolarHBondContact O-N 3Å; G399-Y401 PolarHBondContact O-N 2.9Å; G399-C417 PolarHBondContact N-O 3.4Å; G399-R479 VanDerWaalsContact CA-O 3.22Å; G399-R479 WeakPolarHBondContact CA-O 3.49Å; G399-L481 PolarHBondContact O-N 3.29Å; G399-K482 PolarHBondContact O-N 3.5Å
400	D	96.8	Very high	91.9	Very high	10 Å²	10	52.2 Å²	52.2	5%	0.053	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	130.5	160.7	-80.4	-9.1	0	0	0	109.1	F395 V396 S397 I398 V416 C417 K482 V484	F395-D400 HydrophobicContact CD1-CB 4.09Å; F395-D400 WeakPolarHBondContact CD1-O 3.27Å; V396-D400 PolarHBondContact N-OD2 3.21Å; V396-D400 VanDerWaalsContact N-OD2 3.12Å; S397-D400 PolarHBondContact N-OD2 2.9Å; S397-D400 WeakPolarHBondContact O-CB 3.28Å; S397-D400 PolarHBondContact O-N 2.88Å; I398-D400 VanDerWaalsContact C-N 3.25Å; I398-D400 PolarHBondContact O-N 3.41Å; D400-V416 CarbonylContact O-C 3.6Å; D400-V416 VanDerWaalsContact O-CA 3.31Å; D400-V416 WeakPolarHBondContact O-CA 3.34Å; D400-C417 HydrophobicContact CB-CB 3.9Å; D400-C417 PolarHBondContact O-N 2.86Å; D400-K482 CarbonylContact C-O 3.56Å; D400-K482 VanDerWaalsContact CA-O 3.25Å; D400-K482 WeakPolarHBondContact CA-O 3.36Å; D400-V484 HydrophobicContact CB-CG2 3.6Å
401	Y	97.2	Very high	92.2	Very high	15 Å²	15	49 Å²	49	6%	0.059	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	155.6	-176.7	70.7	-93.6	0	0	0	113.3	Y380 G399 L414 L415 V459 L480 K482 P483 V484	Y380-Y401 HydrophobicContact CD1-CE2 4.33Å; Y380-Y401 HydrophobicContact CD2-CE2 4.43Å; Y380-Y401 HydrophobicContact CG-CE2 4.28Å; G399-Y401 PolarHBondContact O-N 2.9Å; Y401-L414 HydrophobicContact CD2-CD1 4.43Å; Y401-L415 WeakPolarHBondContact CA-O 3.24Å; Y401-L415 WeakPolarHBondContact CB-O 3.38Å; Y401-V459 HydrophobicContact CD2-CG1 4.1Å; Y401-V459 HydrophobicContact CE2-CG1 3.53Å; Y401-L480 HydrophobicContact CD1-CB 3.63Å; Y401-L480 HydrophobicContact CD1-CD2 4.41Å; Y401-L480 HydrophobicContact CD1-CG 4.49Å; Y401-L480 HydrophobicContact CE1-CB 3.93Å; Y401-L480 HydrophobicContact CG-CB 4.06Å; Y401-L480 HydrophobicContact CG-CD2 4.07Å; Y401-L480 HydrophobicContact CG-CG 4.45Å; Y401-K482 WeakPolarHBondContact CD1-O 3.35Å; Y401-K482 PolarHBondContact N-O 2.74Å; Y401-P483 HydrophobicContact CE1-CB 4.19Å; Y401-P483 VanDerWaalsContact CE1-N 3.25Å; Y401-P483 HydrophobicContact CE2-CB 3.78Å; Y401-P483 CarbonylContact O-C 3.36Å; Y401-P483 WeakPolarHBondContact O-CA 3.49Å; Y401-V484 PolarHBondContact O-N 2.81Å
402	G	96.8	Very high	92.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	164.3	176.3	0	0	0	0	0	111.6	L414 L415	G402-L414 CarbonylContact O-C 3.57Å; G402-L414 WeakPolarHBondContact O-CA 3.5Å; G402-L415 PolarHBondContact N-O 3.43Å; G402-L415 VanDerWaalsContact N-O 3.14Å; G402-L415 PolarHBondContact O-N 3.33Å
403	V	96.7	Very high	93.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.6	-177.3	-179.7	0	0	0	0	109.8	L375 Y380 Y381 H382 L412 M413 L414 I433 V455 V459	L375-V403 HydrophobicContact CD1-CG1 4.1Å; Y380-V403 HydrophobicContact CD2-CB 4.47Å; Y380-V403 HydrophobicContact CD2-CG2 4.03Å; Y380-V403 HydrophobicContact CE2-CG2 4.09Å; Y380-V403 PolarHBondContact O-N 2.94Å; Y381-V403 CarbonylContact C-O 3.6Å; Y381-V403 WeakPolarHBondContact CA-O 3.11Å; Y381-V403 HydrophobicContact CD2-CB 4.42Å; Y381-V403 HydrophobicContact CD2-CG1 4.16Å; H382-V403 PolarHBondContact N-O 3.33Å; V403-L412 HydrophobicContact CG1-CD1 3.7Å; V403-L412 HydrophobicContact CG1-CD2 4.18Å; V403-L412 HydrophobicContact CG1-CG 3.9Å; V403-M413 CarbonylContact C-O 3.58Å; V403-M413 WeakPolarHBondContact CA-O 3.39Å; V403-L414 HydrophobicContact CG2-CD1 4.06Å; V403-I433 HydrophobicContact CG1-CD1 4.21Å; V403-V455 HydrophobicContact CG1-CG1 4.33Å; V403-V455 HydrophobicContact CG2-CG1 4.34Å; V403-V459 HydrophobicContact CG2-CG2 4.05Å
404	Y	95.5	Very high	93.7	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	160.5	173	78.7	-69.2	0	0	0	111.2	G383 K385 P388 L391 C406 M413 L415	G383-Y404 WeakPolarHBondContact O-CA 3.39Å; G383-Y404 WeakPolarHBondContact O-CB 3.44Å; K385-Y404 HydrophobicContact CB-CD2 3.54Å; K385-Y404 HydrophobicContact CB-CE2 3.89Å; K385-Y404 HydrophobicContact CB-CG 4.46Å; K385-Y404 HydrophobicContact CG-CD2 3.99Å; K385-Y404 HydrophobicContact CG-CG 4.47Å; P388-Y404 WeakPolarHBondContact CD-OH 3.27Å; L391-Y404 HydrophobicContact CD1-CG 4.47Å; Y404-C406 HydrophobicContact CD2-CB 4.26Å; Y404-C406 HydrophobicContact CE2-CB 3.53Å; Y404-M413 HydrophobicContact CD1-CB 3.7Å; Y404-M413 HydrophobicContact CE1-CB 3.3Å; Y404-M413 HydrophobicContact CE1-CG 4.07Å; Y404-M413 PolarHBondContact N-O 2.87Å; Y404-M413 PolarHBondContact O-N 3.41Å; Y404-L415 HydrophobicContact CD1-CD1 3.06Å; Y404-L415 HydrophobicContact CD1-CG 4.15Å; Y404-L415 HydrophobicContact CE1-CD1 3.18Å; Y404-L415 HydrophobicContact CE1-CD2 4.23Å; Y404-L415 HydrophobicContact CE1-CG 3.78Å; Y404-L415 HydrophobicContact CG-CD1 4.22Å
405	F	94.8	Very high	94.1	Very high	14 Å²	14	35.9 Å²	35.9	6%	0.061	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116.5	168.5	-172.1	-90.6	0	0	0	109.9	L309 G383 E384 K385 T407 K410	L309-F405 HydrophobicContact CB-CD1 4.23Å; L309-F405 HydrophobicContact CB-CE1 3.96Å; L309-F405 HydrophobicContact CB-CE2 4.28Å; L309-F405 HydrophobicContact CB-CZ 3.97Å; L309-F405 HydrophobicContact CD1-CD1 4.24Å; L309-F405 HydrophobicContact CD1-CE1 3.91Å; L309-F405 HydrophobicContact CD2-CE1 4.2Å; L309-F405 HydrophobicContact CD2-CZ 4.17Å; L309-F405 HydrophobicContact CG-CE1 4.25Å; L309-F405 HydrophobicContact CG-CZ 4.48Å; L309-F405 WeakPolarHBondContact O-CE2 3.35Å; G383-F405 PolarHBondContact O-N 3.05Å; E384-F405 WeakPolarHBondContact CA-O 3.3Å; E384-F405 HydrophobicContact CG-CB 4.3Å; E384-F405 HydrophobicContact CG-CD1 4.28Å; K385-F405 PolarHBondContact N-O 3.12Å; F405-T407 HydrophobicContact CD1-CG2 4.31Å; F405-T407 PolarHBondContact O-N 3.2Å; F405-K410 HydrophobicContact CZ-CB 4.25Å
406	C	94.8	Very high	94.3	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	109.7	177.7	-178.8	0	0	0	0	110	K385 R386 Y404 S408 T409 K410 C411 M413	K385-C406 CarbonylContact O-C 3.52Å; K385-C406 VanDerWaalsContact O-CA 3.29Å; K385-C406 WeakPolarHBondContact O-CA 3.17Å; R386-C406 PolarHBondContact O-SG 2.93Å; R386-C406 VanDerWaalsContact O-SG 3.36Å; Y404-C406 HydrophobicContact CD2-CB 4.26Å; Y404-C406 HydrophobicContact CE2-CB 3.53Å; C406-S408 VanDerWaalsContact C-N 3.31Å; C406-S408 PolarHBondContact O-N 3.27Å; C406-S408 PolarHBondContact SG-OG 3.06Å; C406-T409 VanDerWaalsContact CB-OG1 3.26Å; C406-T409 WeakPolarHBondContact CB-OG1 3.5Å; C406-T409 PolarHBondContact SG-OG1 2.91Å; C406-K410 WeakPolarHBondContact O-CA 3.49Å; C406-K410 PolarHBondContact O-N 3.44Å; C406-C411 WeakPolarHBondContact CB-O 3.42Å; C406-C411 PolarHBondContact N-O 3.48Å; C406-C411 PolarHBondContact O-N 3.37Å; C406-M413 HydrophobicContact CB-CG 3.74Å
407	T	92.2	Very high	94.6	Very high	59 Å²	59	30.9 Å²	30.9	36%	0.362	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-26.2	-176.1	58.2	0	0	0	0	113.2	E384 K385 R386 F405	E384-T407 HydrophobicContact CB-CG2 3.83Å; E384-T407 HydrophobicContact CG-CG2 4.38Å; K385-T407 PolarHBondContact O-N 2.76Å; K385-T407 PolarHBondContact O-OG1 3.48Å; R386-T407 WeakPolarHBondContact CA-OG1 3.48Å; F405-T407 HydrophobicContact CD1-CG2 4.31Å; F405-T407 PolarHBondContact O-N 3.2Å
408	S	92.8	Very high	94.5	Very high	78 Å²	78	28.5 Å²	28.5	55%	0.545	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-44.1	177.3	59.9	0	0	0	0	112.3	R386 C406	R386-S408 WeakPolarHBondContact O-CB 3.39Å; R386-S408 PolarHBondContact O-OG 2.81Å; C406-S408 VanDerWaalsContact C-N 3.31Å; C406-S408 PolarHBondContact O-N 3.27Å; C406-S408 PolarHBondContact SG-OG 3.06Å
409	T	91.5	Very high	94.2	Very high	76 Å²	76	28.3 Å²	28.3	47%	0.466	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-9.9	178.8	63	0	0	0	0	113.2	C406 C411	C406-T409 VanDerWaalsContact CB-OG1 3.26Å; C406-T409 WeakPolarHBondContact CB-OG1 3.5Å; C406-T409 PolarHBondContact SG-OG1 2.91Å; T409-C411 PolarHBondContact O-N 2.85Å; T409-C411 PolarHBondContact O-SG 3.26Å
410	K	91.9	Very high	93.5	Very high	169 Å²	169	28.8 Å²	28.8	74%	0.735	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	36.4	-172.8	-57.8	-178.4	178.6	177.9	0	113.1	F405 C406	F405-K410 HydrophobicContact CZ-CB 4.25Å; C406-K410 WeakPolarHBondContact O-CA 3.49Å; C406-K410 PolarHBondContact O-N 3.44Å
411	C	93.2	Very high	92.5	Very high	26 Å²	26	37 Å²	37	18%	0.176	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.1	-174.7	-65.9	0	0	0	0	111.6	C406 T409 M413 K432	C406-C411 WeakPolarHBondContact CB-O 3.42Å; C406-C411 PolarHBondContact N-O 3.48Å; C406-C411 PolarHBondContact O-N 3.37Å; T409-C411 PolarHBondContact O-N 2.85Å; T409-C411 PolarHBondContact O-SG 3.26Å; C411-M413 HydrophobicContact CB-SD 4.11Å; C411-K432 HydrophobicContact CB-CG 4.02Å; C411-K432 WeakPolarHBondContact SG-CE 3.42Å
412	L	96.1	Very high	91.5	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	133.6	167.1	-169.4	74.1	0	0	0	108.9	P311 L375 Y381 V403 I433 V455	P311-L412 HydrophobicContact CG-CD2 4.06Å; L375-L412 HydrophobicContact CD2-CD1 3.94Å; L375-L412 HydrophobicContact CD2-CD2 4.22Å; Y381-L412 HydrophobicContact CE2-CD1 4.18Å; V403-L412 HydrophobicContact CG1-CD1 3.7Å; V403-L412 HydrophobicContact CG1-CD2 4.18Å; V403-L412 HydrophobicContact CG1-CG 3.9Å; L412-I433 HydrophobicContact CB-CB 4.16Å; L412-I433 HydrophobicContact CD2-CB 4.01Å; L412-I433 HydrophobicContact CD2-CD1 3.71Å; L412-I433 HydrophobicContact CD2-CG1 4.47Å; L412-I433 HydrophobicContact CD2-CG2 3.97Å; L412-I433 HydrophobicContact CG-CB 4.24Å; L412-I433 HydrophobicContact CG-CD1 3.96Å; L412-I433 PolarHBondContact O-N 3.22Å; L412-V455 HydrophobicContact CD2-CG1 4.39Å; L412-V455 HydrophobicContact CD2-CG2 3.58Å
413	M	96	Very high	90.3	Very high	27 Å²	27	47.9 Å²	47.9	13%	0.133	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134.2	-170.4	-60.6	-64.8	-83.2	0	0	110.1	V403 Y404 C406 C411 C430 F431 K432	V403-M413 CarbonylContact C-O 3.58Å; V403-M413 WeakPolarHBondContact CA-O 3.39Å; Y404-M413 HydrophobicContact CD1-CB 3.7Å; Y404-M413 HydrophobicContact CE1-CB 3.3Å; Y404-M413 HydrophobicContact CE1-CG 4.07Å; Y404-M413 PolarHBondContact N-O 2.87Å; Y404-M413 PolarHBondContact O-N 3.41Å; C406-M413 HydrophobicContact CB-CG 3.74Å; C411-M413 HydrophobicContact CB-SD 4.11Å; M413-C430 HydrophobicContact CE-CB 3.61Å; M413-F431 CarbonylContact C-O 3.59Å; M413-F431 WeakPolarHBondContact CA-O 3.18Å; M413-K432 HydrophobicContact SD-CB 3.84Å; M413-K432 HydrophobicContact SD-CG 4Å
414	L	96.5	Very high	89.4	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.9	168.2	171.2	66.4	0	0	0	108.6	Y401 G402 V403 V416 C430 F431 I433 L443 L469 L480	Y401-L414 HydrophobicContact CD2-CD1 4.43Å; G402-L414 CarbonylContact O-C 3.57Å; G402-L414 WeakPolarHBondContact O-CA 3.5Å; V403-L414 HydrophobicContact CG2-CD1 4.06Å; L414-V416 HydrophobicContact CG-CG2 4.29Å; L414-C430 CarbonylContact O-C 3.52Å; L414-C430 WeakPolarHBondContact O-CA 3.48Å; L414-F431 HydrophobicContact CB-CB 4.28Å; L414-F431 PolarHBondContact N-O 2.92Å; L414-F431 PolarHBondContact O-N 2.92Å; L414-I433 HydrophobicContact CB-CD1 4.16Å; L414-I433 HydrophobicContact CB-CG1 4.42Å; L414-L443 HydrophobicContact CB-CD2 4.42Å; L414-L443 HydrophobicContact CD2-CD1 4.17Å; L414-L443 HydrophobicContact CD2-CD2 4Å; L414-L469 HydrophobicContact CD2-CD1 4.25Å; L414-L480 HydrophobicContact CD1-CD1 4.5Å; L414-L480 HydrophobicContact CD1-CD2 4.31Å; L414-L480 HydrophobicContact CD2-CD1 4.17Å; L414-L480 HydrophobicContact CD2-CD2 4.15Å; L414-L480 HydrophobicContact CG-CD2 4.49Å
415	L	95.6	Very high	88.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	146.9	171.1	-55.2	81.4	0	0	0	110.1	P388 L391 F395 Y401 G402 Y404 V428 V429	P388-L415 HydrophobicContact CB-CD2 3.66Å; P388-L415 HydrophobicContact CB-CG 4.45Å; L391-L415 HydrophobicContact CB-CD2 4.36Å; L391-L415 HydrophobicContact CD1-CD1 4.25Å; L391-L415 HydrophobicContact CD1-CD2 4.19Å; F395-L415 HydrophobicContact CD1-CB 4.44Å; F395-L415 HydrophobicContact CE1-CB 3.76Å; F395-L415 HydrophobicContact CE2-CD2 4.46Å; F395-L415 HydrophobicContact CZ-CB 4Å; F395-L415 HydrophobicContact CZ-CD1 4.49Å; F395-L415 HydrophobicContact CZ-CD2 4.34Å; Y401-L415 WeakPolarHBondContact CA-O 3.24Å; Y401-L415 WeakPolarHBondContact CB-O 3.38Å; G402-L415 PolarHBondContact N-O 3.43Å; G402-L415 VanDerWaalsContact N-O 3.14Å; G402-L415 PolarHBondContact O-N 3.33Å; Y404-L415 HydrophobicContact CD1-CD1 3.06Å; Y404-L415 HydrophobicContact CD1-CG 4.15Å; Y404-L415 HydrophobicContact CE1-CD1 3.18Å; Y404-L415 HydrophobicContact CE1-CD2 4.23Å; Y404-L415 HydrophobicContact CE1-CG 3.78Å; Y404-L415 HydrophobicContact CG-CD1 4.22Å; L415-V428 HydrophobicContact CD2-CB 4.41Å; L415-V429 CarbonylContact C-O 3.58Å; L415-V429 VanDerWaalsContact CA-O 3.31Å; L415-V429 WeakPolarHBondContact CA-O 3.37Å
416	V	95.5	Very high	88.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.5	171.8	-167.5	0	0	0	0	109.5	D400 L414 V429 F431 V478 L480	D400-V416 CarbonylContact O-C 3.6Å; D400-V416 VanDerWaalsContact O-CA 3.31Å; D400-V416 WeakPolarHBondContact O-CA 3.34Å; L414-V416 HydrophobicContact CG-CG2 4.29Å; V416-V429 PolarHBondContact N-O 3.22Å; V416-V429 PolarHBondContact O-N 2.83Å; V416-F431 HydrophobicContact CB-CE2 4.3Å; V416-F431 HydrophobicContact CG2-CD2 3.99Å; V416-F431 HydrophobicContact CG2-CE2 3.78Å; V416-V478 HydrophobicContact CB-CG2 4.12Å; V416-V478 HydrophobicContact CG1-CB 3.98Å; V416-V478 HydrophobicContact CG1-CG2 4.01Å; V416-V478 HydrophobicContact CG2-CG2 4.36Å; V416-L480 HydrophobicContact CB-CD2 4.4Å; V416-L480 HydrophobicContact CG1-CD2 4.17Å; V416-L480 HydrophobicContact CG2-CD2 3.33Å
417	C	93.7	Very high	88	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.007	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	132.2	172.8	-171.8	0	0	0	0	110.9	F395 S397 G399 D400	F395-C417 HydrophobicContact CB-CB 4.05Å; F395-C417 HydrophobicContact CD1-CB 4.4Å; F395-C417 PolarHBondContact O-SG 3Å; S397-C417 WeakPolarHBondContact O-CB 3.43Å; S397-C417 PolarHBondContact O-SG 3.1Å; G399-C417 PolarHBondContact N-O 3.4Å; D400-C417 HydrophobicContact CB-CB 3.9Å; D400-C417 PolarHBondContact O-N 2.86Å
418	Y	90.8	Very high	87.9	Confident	13 Å²	13	56.4 Å²	56.4	5%	0.051	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	137.8	-177.8	171.1	-101.9	0	0	0	109.8	S420 T426 Y427 V429 F474 V478	Y418-S420 VanDerWaalsContact CE1-CA 3.44Å; Y418-T426 CarbonylContact O-C 3.58Å; Y418-T426 WeakPolarHBondContact O-CA 3.49Å; Y418-Y427 PolarHBondContact N-O 3.48Å; Y418-Y427 PolarHBondContact O-N 3Å; Y418-Y427 VanDerWaalsContact O-O 3.14Å; Y418-V429 HydrophobicContact CG-CG2 4.21Å; Y418-F474 HydrophobicContact CD1-CB 3.95Å; Y418-F474 AromaticContact CD1-CD1 3.7Å; Y418-F474 HydrophobicContact CD1-CD1 3.7Å; Y418-F474 HydrophobicContact CD1-CD2 4.15Å; Y418-F474 HydrophobicContact CD1-CE1 4.2Å; Y418-F474 AromaticContact CD1-CG 3.67Å; Y418-F474 HydrophobicContact CD1-CG 3.67Å; Y418-F474 HydrophobicContact CE1-CB 3.34Å; Y418-F474 AromaticContact CE1-CD1 3.41Å; Y418-F474 HydrophobicContact CE1-CD1 3.41Å; Y418-F474 VanDerWaalsContact CE1-CD1 3.41Å; Y418-F474 HydrophobicContact CE1-CD2 4.36Å; Y418-F474 HydrophobicContact CE1-CE1 4.28Å; Y418-F474 AromaticContact CE1-CG 3.45Å; Y418-F474 HydrophobicContact CE1-CG 3.45Å; Y418-F474 VanDerWaalsContact CE1-CG 3.45Å; Y418-F474 HydrophobicContact CE2-CB 4.35Å; Y418-F474 PolarHBondContact OH-O 3.41Å; Y418-V478 HydrophobicContact CD2-CG1 3.49Å; Y418-V478 VanDerWaalsContact CD2-CG1 3.49Å; Y418-V478 HydrophobicContact CE2-CG1 4.44Å; Y418-V478 HydrophobicContact CG-CG1 4.01Å
419	Q	85.4	Confident	87.9	Confident	88 Å²	88	53.3 Å²	53.3	41%	0.411	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.2	170.2	-168	177.4	24.5	0	0	109.5	I398 K421 G424 T426	I398-Q419 HydrophobicContact CD1-CB 3.7Å; I398-Q419 HydrophobicContact CG1-CB 3.8Å; Q419-K421 PolarHBondContact O-N 2.88Å; Q419-G424 WeakPolarHBondContact CG-O 3.21Å; Q419-G424 PolarHBondContact NE2-O 3.11Å; Q419-T426 HydrophobicContact CB-CG2 4.43Å; Q419-T426 HydrophobicContact CG-CG2 4.37Å
420	S	80.1	Confident	88	Confident	11 Å²	11	51.8 Å²	51.8	8%	0.077	27%	0.273	C	S	.	.			trans	-71.6	129.9	176	-172.5	0	0	0	0	110.9	Y418 T422 G424 S425	Y418-S420 VanDerWaalsContact CE1-CA 3.44Å; S420-T422 PolarHBondContact O-N 2.88Å; S420-T422 PolarHBondContact OG-N 2.8Å; S420-T422 PolarHBondContact OG-OG1 2.6Å; S420-G424 WeakPolarHBondContact O-CA 3.45Å; S420-G424 PolarHBondContact O-N 2.78Å; S420-S425 PolarHBondContact N-O 3.03Å
421	K	76	Confident	88.1	Confident	183 Å²	183	44.4 Å²	44.4	80%	0.796	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-28	171	-65.7	-173.8	178.5	-176.1	0	112.8	Q419	Q419-K421 PolarHBondContact O-N 2.88Å
422	T	74.7	Confident	88.2	Confident	109 Å²	109	46.4 Å²	46.4	67%	0.669	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-33.4	-172.9	58	0	0	0	0	113.8	S420	S420-T422 PolarHBondContact O-N 2.88Å; S420-T422 PolarHBondContact OG-N 2.8Å; S420-T422 PolarHBondContact OG-OG1 2.6Å
423	H	73.3	Confident	88.2	Confident	134 Å²	134	46.4 Å²	46.4	62%	0.62	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.8	-9.9	-174.2	-60.7	-62.3	0	0	0	113.3	S425	H423-S425 PolarHBondContact O-N 3.13Å; H423-S425 PolarHBondContact O-OG 3.46Å
424	G	76.7	Confident	88	Confident	41 Å²	41	46.5 Å²	46.5	42%	0.423	25%	0.249	S	C	.	.			trans	65.9	-6.4	-170.9	0	0	0	0	0	114.4	Q419 S420	Q419-G424 WeakPolarHBondContact CG-O 3.21Å; Q419-G424 PolarHBondContact NE2-O 3.11Å; S420-G424 WeakPolarHBondContact O-CA 3.45Å; S420-G424 PolarHBondContact O-N 2.78Å
425	S	83.5	Confident	87.8	Confident	54 Å²	54	51.1 Å²	51.1	38%	0.378	27%	0.266	S	S	.	.			trans	-75.5	146.2	-179.1	-45	0	0	0	0	112.2	S420 H423 Y427	S420-S425 PolarHBondContact N-O 3.03Å; H423-S425 PolarHBondContact O-N 3.13Å; H423-S425 PolarHBondContact O-OG 3.46Å; S425-Y427 VanDerWaalsContact O-CD2 3.31Å; S425-Y427 WeakPolarHBondContact O-CD2 3.32Å; S425-Y427 WeakPolarHBondContact O-CE2 3.44Å
426	T	84.6	Confident	87.5	Confident	59 Å²	59	51.8 Å²	51.8	36%	0.362	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	135	174.1	50.9	0	0	0	0	111.2	Y418 Q419	Y418-T426 CarbonylContact O-C 3.58Å; Y418-T426 WeakPolarHBondContact O-CA 3.49Å; Q419-T426 HydrophobicContact CB-CG2 4.43Å; Q419-T426 HydrophobicContact CG-CG2 4.37Å
427	Y	88.2	Confident	87	Confident	82 Å²	82	59.3 Å²	59.3	32%	0.322	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.8	-180	-61	-87.2	0	0	0	109.7	Y418 S425 F474	Y418-Y427 PolarHBondContact N-O 3.48Å; Y418-Y427 PolarHBondContact O-N 3Å; Y418-Y427 VanDerWaalsContact O-O 3.14Å; S425-Y427 VanDerWaalsContact O-CD2 3.31Å; S425-Y427 WeakPolarHBondContact O-CD2 3.32Å; S425-Y427 WeakPolarHBondContact O-CE2 3.44Å; Y427-F474 HydrophobicContact CD1-CE1 4.29Å; Y427-F474 HydrophobicContact CD1-CZ 4.42Å; Y427-F474 AromaticContact CD2-CE1 3.9Å; Y427-F474 HydrophobicContact CD2-CE1 3.9Å; Y427-F474 HydrophobicContact CE2-CE1 4.46Å; Y427-F474 AromaticContact CG-CE1 3.8Å; Y427-F474 HydrophobicContact CG-CE1 3.8Å; Y427-F474 HydrophobicContact CG-CZ 4.03Å
428	V	90.5	Very high	86.7	Confident	23 Å²	23	64 Å²	64	14%	0.139	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.5	170.9	-68.8	0	0	0	0	109.8	P388 F395 L415	P388-V428 HydrophobicContact CB-CG2 4.24Å; F395-V428 HydrophobicContact CB-CG1 3.82Å; F395-V428 HydrophobicContact CG-CG1 4.13Å; L415-V428 HydrophobicContact CD2-CB 4.41Å
429	V	92	Very high	86.5	Confident	13 Å²	13	66.5 Å²	66.5	8%	0.079	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.1	174.1	-168.7	0	0	0	0	108.5	L415 V416 Y418 F431 T471 F474 V478	L415-V429 CarbonylContact C-O 3.58Å; L415-V429 VanDerWaalsContact CA-O 3.31Å; L415-V429 WeakPolarHBondContact CA-O 3.37Å; V416-V429 PolarHBondContact N-O 3.22Å; V416-V429 PolarHBondContact O-N 2.83Å; Y418-V429 HydrophobicContact CG-CG2 4.21Å; V429-F431 HydrophobicContact CB-CE2 4.12Å; V429-F431 HydrophobicContact CB-CZ 4.49Å; V429-F431 HydrophobicContact CG1-CE2 3.81Å; V429-F431 HydrophobicContact CG1-CZ 3.81Å; V429-T471 HydrophobicContact CG1-CG2 4.04Å; V429-T471 HydrophobicContact CG2-CG2 4.19Å; V429-F474 HydrophobicContact CG2-CD2 3.7Å; V429-F474 HydrophobicContact CG2-CE2 3.62Å; V429-V478 HydrophobicContact CG2-CG1 4.47Å
430	C	92.9	Very high	86.8	Confident	44 Å²	44	64.9 Å²	64.9	30%	0.297	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.9	179.7	-62.7	0	0	0	0	111.7	P388 M413 L414	P388-C430 VanDerWaalsContact CB-SG 3.58Å; M413-C430 HydrophobicContact CE-CB 3.61Å; L414-C430 CarbonylContact O-C 3.52Å; L414-C430 WeakPolarHBondContact O-CA 3.48Å
431	F	94.6	Very high	87.5	Confident	14 Å²	14	64.5 Å²	64.5	6%	0.061	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.2	173.2	-58	-91.2	0	0	0	109	M413 L414 V416 V429 L443 H446 L469 A470 T471 V478	M413-F431 CarbonylContact C-O 3.59Å; M413-F431 WeakPolarHBondContact CA-O 3.18Å; L414-F431 HydrophobicContact CB-CB 4.28Å; L414-F431 PolarHBondContact N-O 2.92Å; L414-F431 PolarHBondContact O-N 2.92Å; V416-F431 HydrophobicContact CB-CE2 4.3Å; V416-F431 HydrophobicContact CG2-CD2 3.99Å; V416-F431 HydrophobicContact CG2-CE2 3.78Å; V429-F431 HydrophobicContact CB-CE2 4.12Å; V429-F431 HydrophobicContact CB-CZ 4.49Å; V429-F431 HydrophobicContact CG1-CE2 3.81Å; V429-F431 HydrophobicContact CG1-CZ 3.81Å; F431-L443 HydrophobicContact CB-CD2 4.07Å; F431-H446 AromaticContact CD1-NE2 3.72Å; F431-H446 AromaticContact CE1-NE2 3.9Å; F431-L469 HydrophobicContact CD1-CB 4.47Å; F431-L469 HydrophobicContact CD2-CD1 4.14Å; F431-L469 HydrophobicContact CE1-CB 3.72Å; F431-L469 HydrophobicContact CE1-CD1 4.39Å; F431-L469 HydrophobicContact CE2-CB 4.3Å; F431-L469 HydrophobicContact CE2-CD1 4.01Å; F431-L469 HydrophobicContact CG-CD1 4.4Å; F431-L469 HydrophobicContact CZ-CB 3.61Å; F431-L469 HydrophobicContact CZ-CD1 4.14Å; F431-A470 WeakPolarHBondContact CE1-O 3.13Å; F431-T471 HydrophobicContact CZ-CG2 4.35Å; F431-V478 HydrophobicContact CE2-CG2 3.69Å; F431-V478 HydrophobicContact CZ-CG2 3.56Å
432	K	95.2	Very high	88.4	Confident	67 Å²	67	56.4 Å²	56.4	29%	0.291	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.3	179.2	-172.9	-169	176.6	-174.7	0	109.6	C411 M413 V434 L443 E444	C411-K432 HydrophobicContact CB-CG 4.02Å; C411-K432 WeakPolarHBondContact SG-CE 3.42Å; M413-K432 HydrophobicContact SD-CB 3.84Å; M413-K432 HydrophobicContact SD-CG 4Å; K432-V434 HydrophobicContact CD-CG1 3.73Å; K432-V434 HydrophobicContact CG-CG1 3.89Å; K432-L443 CarbonylContact O-C 3.52Å; K432-L443 WeakPolarHBondContact O-CA 3.06Å; K432-E444 HydrophobicContact CB-CB 3.96Å; K432-E444 HydrophobicContact CD-CB 4.26Å; K432-E444 HydrophobicContact CD-CG 4.37Å; K432-E444 WeakPolarHBondContact CD-OE1 3.42Å; K432-E444 IonicContact NZ-OE1 3.52Å; K432-E444 PolarHBondContact NZ-OE1 2.8Å; K432-E444 PolarHBondContact O-N 2.96Å
433	I	95.9	Very high	89.3	Confident	9 Å²	9	51.2 Å²	51.2	5%	0.046	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.1	170.7	-61.2	162.6	0	0	0	107.4	V403 L412 L414 L441 H442 L443 V455 L458	V403-I433 HydrophobicContact CG1-CD1 4.21Å; L412-I433 HydrophobicContact CB-CB 4.16Å; L412-I433 HydrophobicContact CD2-CB 4.01Å; L412-I433 HydrophobicContact CD2-CD1 3.71Å; L412-I433 HydrophobicContact CD2-CG1 4.47Å; L412-I433 HydrophobicContact CD2-CG2 3.97Å; L412-I433 HydrophobicContact CG-CB 4.24Å; L412-I433 HydrophobicContact CG-CD1 3.96Å; L412-I433 PolarHBondContact O-N 3.22Å; L414-I433 HydrophobicContact CB-CD1 4.16Å; L414-I433 HydrophobicContact CB-CG1 4.42Å; I433-L441 HydrophobicContact CG2-CB 4.33Å; I433-L441 HydrophobicContact CG2-CD2 4.34Å; I433-H442 WeakPolarHBondContact CA-O 3.4Å; I433-L443 HydrophobicContact CG1-CD2 3.62Å; I433-V455 HydrophobicContact CD1-CG1 4.31Å; I433-L458 HydrophobicContact CD1-CD2 4.34Å; I433-L458 HydrophobicContact CG1-CD2 4.03Å; I433-L458 HydrophobicContact CG2-CD2 3.8Å
434	V	93.5	Very high	90.2	Very high	30 Å²	30	47.6 Å²	47.6	18%	0.182	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.2	-177.2	-69	0	0	0	0	110.7	K432 L441 H442 E444	K432-V434 HydrophobicContact CD-CG1 3.73Å; K432-V434 HydrophobicContact CG-CG1 3.89Å; V434-L441 WeakPolarHBondContact O-CA 3.31Å; V434-H442 WeakPolarHBondContact CG2-NE2 3.13Å; V434-H442 WeakPolarHBondContact CG2-O 3.4Å; V434-H442 PolarHBondContact N-O 3.44Å; V434-H442 PolarHBondContact O-N 2.68Å; V434-H442 PolarHBondContact O-ND1 2.84Å; V434-E444 HydrophobicContact CG1-CB 4.15Å; V434-E444 HydrophobicContact CG1-CG 4.44Å; V434-E444 HydrophobicContact CG2-CB 4.22Å
435	R	91.2	Very high	90.5	Very high	98 Å²	98	54.5 Å²	54.5	37%	0.37	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.7	174.3	-170.1	178	-179.3	-172.4	1.9	109.1	N439 M440 L441	R435-N439 PolarHBondContact NE-OD1 3.13Å; R435-N439 VanDerWaalsContact NH2-CG 3.29Å; R435-N439 PolarHBondContact NH2-OD1 2.92Å; R435-M440 WeakPolarHBondContact CA-O 3.46Å; R435-L441 HydrophobicContact CB-CD2 3.96Å; R435-L441 HydrophobicContact CG-CD2 4.26Å
436	A	88.7	Confident	90.4	Very high	14 Å²	14	54 Å²	54	12%	0.116	26%	0.262	C	S	.	.			trans	-82.4	172.3	172.7	0	0	0	0	0	111.5	D438 N439 M440	A436-D438 WeakPolarHBondContact CB-OD1 3.21Å; A436-D438 PolarHBondContact O-N 3.38Å; A436-N439 WeakPolarHBondContact O-CA 3.49Å; A436-N439 PolarHBondContact O-N 3.25Å; A436-M440 PolarHBondContact N-O 3.19Å
437	D	85.5	Confident	90	Very high	159 Å²	159	53.8 Å²	53.8	85%	0.85	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.9	-177.1	-54.4	-43	0	0	0	112.8	N439	D437-N439 PolarHBondContact O-N 3.27Å
438	D	87.1	Confident	89.5	Confident	98 Å²	98	58.1 Å²	58.1	52%	0.524	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	6.2	172.8	65.5	-4.5	0	0	0	113.6	A436 M440	A436-D438 WeakPolarHBondContact CB-OD1 3.21Å; A436-D438 PolarHBondContact O-N 3.38Å; D438-M440 VanDerWaalsContact C-N 3.26Å; D438-M440 HydrophobicContact CB-CG 4.38Å; D438-M440 VanDerWaalsContact CG-CG 3.44Å; D438-M440 PolarHBondContact O-N 3.37Å; D438-M440 VanDerWaalsContact OD1-CB 3.27Å; D438-M440 WeakPolarHBondContact OD1-CB 3.28Å; D438-M440 WeakPolarHBondContact OD1-CG 3.41Å; D438-M440 PolarHBondContact OD1-N 3.01Å; D438-M440 WeakPolarHBondContact OD2-CG 3.45Å
439	N	87	Confident	89.1	Confident	66 Å²	66	65.9 Å²	65.9	35%	0.353	31%	0.311	S	S	.	.	S	Bend	trans	70.8	6.8	-174.2	-55.1	-66.4	0	0	0	116.1	I314 R435 A436 D437	I314-N439 HydrophobicContact CD1-CB 4.03Å; R435-N439 PolarHBondContact NE-OD1 3.13Å; R435-N439 VanDerWaalsContact NH2-CG 3.29Å; R435-N439 PolarHBondContact NH2-OD1 2.92Å; A436-N439 WeakPolarHBondContact O-CA 3.49Å; A436-N439 PolarHBondContact O-N 3.25Å; D437-N439 PolarHBondContact O-N 3.27Å
440	M	92.3	Very high	88.8	Confident	55 Å²	55	68.7 Å²	68.7	27%	0.271	32%	0.323	S	S	.	.			trans	-86.8	144	-178.4	-56	-68.9	-80.6	0	0	112.2	R435 A436 D438 S451 F452	R435-M440 WeakPolarHBondContact CA-O 3.46Å; A436-M440 PolarHBondContact N-O 3.19Å; D438-M440 VanDerWaalsContact C-N 3.26Å; D438-M440 HydrophobicContact CB-CG 4.38Å; D438-M440 VanDerWaalsContact CG-CG 3.44Å; D438-M440 PolarHBondContact O-N 3.37Å; D438-M440 VanDerWaalsContact OD1-CB 3.27Å; D438-M440 WeakPolarHBondContact OD1-CB 3.28Å; D438-M440 WeakPolarHBondContact OD1-CG 3.41Å; D438-M440 PolarHBondContact OD1-N 3.01Å; D438-M440 WeakPolarHBondContact OD2-CG 3.45Å; M440-S451 WeakPolarHBondContact CE-O 3.43Å; M440-F452 CarbonylContact C-O 3.53Å
441	L	94.4	Very high	88.7	Confident	3 Å²	3	67.7 Å²	67.7	2%	0.016	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.9	-177	-61.7	167.8	0	0	0	111	P311 E313 I433 V434 R435 S451 F452 V455	P311-L441 HydrophobicContact CB-CD2 4.4Å; E313-L441 HydrophobicContact CG-CD1 4.3Å; I433-L441 HydrophobicContact CG2-CB 4.33Å; I433-L441 HydrophobicContact CG2-CD2 4.34Å; V434-L441 WeakPolarHBondContact O-CA 3.31Å; R435-L441 HydrophobicContact CB-CD2 3.96Å; R435-L441 HydrophobicContact CG-CD2 4.26Å; L441-S451 CarbonylContact O-C 3.54Å; L441-S451 VanDerWaalsContact O-CA 3.3Å; L441-S451 WeakPolarHBondContact O-CA 3.33Å; L441-F452 WeakPolarHBondContact CB-O 3.47Å; L441-F452 PolarHBondContact N-O 3.31Å; L441-F452 PolarHBondContact O-N 3.23Å; L441-V455 HydrophobicContact CD1-CG2 3.77Å
442	H	94.6	Very high	88.6	Confident	13 Å²	13	69 Å²	69	6%	0.06	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	166.2	175.5	61.1	-74.7	0	0	0	111.8	I433 V434 S451	I433-H442 WeakPolarHBondContact CA-O 3.4Å; V434-H442 WeakPolarHBondContact CG2-NE2 3.13Å; V434-H442 WeakPolarHBondContact CG2-O 3.4Å; V434-H442 PolarHBondContact N-O 3.44Å; V434-H442 PolarHBondContact O-N 2.68Å; V434-H442 PolarHBondContact O-ND1 2.84Å; H442-S451 WeakPolarHBondContact CB-OG 3.49Å
443	L	94.8	Very high	88.4	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.3	172.3	-60.5	178.7	0	0	0	110.4	L414 F431 K432 I433 R445 H446 L458 Y462 L469	L414-L443 HydrophobicContact CB-CD2 4.42Å; L414-L443 HydrophobicContact CD2-CD1 4.17Å; L414-L443 HydrophobicContact CD2-CD2 4Å; F431-L443 HydrophobicContact CB-CD2 4.07Å; K432-L443 CarbonylContact O-C 3.52Å; K432-L443 WeakPolarHBondContact O-CA 3.06Å; I433-L443 HydrophobicContact CG1-CD2 3.62Å; L443-R445 PolarHBondContact O-N 2.99Å; L443-H446 HydrophobicContact CB-CB 4.04Å; L443-H446 WeakPolarHBondContact O-CB 3.34Å; L443-H446 PolarHBondContact O-N 3.21Å; L443-L458 HydrophobicContact CD2-CD2 4.3Å; L443-Y462 HydrophobicContact CD1-CD2 4.08Å; L443-Y462 HydrophobicContact CD1-CE1 4.17Å; L443-Y462 HydrophobicContact CD1-CE2 3.68Å; L443-Y462 HydrophobicContact CG-CE2 4.06Å; L443-L469 HydrophobicContact CD1-CD1 4.08Å; L443-L469 HydrophobicContact CD1-CD2 3.5Å; L443-L469 HydrophobicContact CD1-CG 4.46Å
444	E	90.3	Very high	88.4	Confident	58 Å²	58	66.2 Å²	66.2	27%	0.271	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	131.3	178	-167.4	-168.4	-114.5	0	0	110.1	K432 V434 H446 R472	K432-E444 HydrophobicContact CB-CB 3.96Å; K432-E444 HydrophobicContact CD-CB 4.26Å; K432-E444 HydrophobicContact CD-CG 4.37Å; K432-E444 WeakPolarHBondContact CD-OE1 3.42Å; K432-E444 IonicContact NZ-OE1 3.52Å; K432-E444 PolarHBondContact NZ-OE1 2.8Å; K432-E444 PolarHBondContact O-N 2.96Å; V434-E444 HydrophobicContact CG1-CB 4.15Å; V434-E444 HydrophobicContact CG1-CG 4.44Å; V434-E444 HydrophobicContact CG2-CB 4.22Å; E444-H446 PolarHBondContact O-N 2.99Å; E444-R472 IonicContact OE2-NH2 2.58Å; E444-R472 PolarHBondContact OE2-NH2 3.43Å
445	R	83	Confident	88.5	Confident	185 Å²	185	64.8 Å²	64.8	70%	0.698	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	7.2	-176.4	-44.8	-172.6	178.9	179.6	-1	115.8	L443 R472	L443-R445 PolarHBondContact O-N 2.99Å; R445-R472 VanDerWaalsContact NH1-NE 3.13Å
446	H	82.5	Confident	88.6	Confident	43 Å²	43	60.3 Å²	60.3	20%	0.199	29%	0.288	C	S	.	.	S	Bend	trans	-99.9	162.6	164.4	-64.8	-90.9	0	0	0	110	F431 L443 E444 R448	F431-H446 AromaticContact CD1-NE2 3.72Å; F431-H446 AromaticContact CE1-NE2 3.9Å; L443-H446 HydrophobicContact CB-CB 4.04Å; L443-H446 WeakPolarHBondContact O-CB 3.34Å; L443-H446 PolarHBondContact O-N 3.21Å; E444-H446 PolarHBondContact O-N 2.99Å; H446-R448 PolarHBondContact O-N 2.91Å
447	S	76.1	Confident	88.9	Confident	56 Å²	56	60.9 Å²	60.9	39%	0.392	29%	0.288	S	S	.	.			trans	-57.2	126.3	-175.3	-178.8	0	0	0	0	112	K449 H450	S447-K449 PolarHBondContact O-N 2.72Å; S447-K449 VanDerWaalsContact O-N 3.09Å; S447-K449 VanDerWaalsContact OG-CB 3.26Å; S447-K449 WeakPolarHBondContact OG-CB 3.23Å; S447-K449 WeakPolarHBondContact OG-CG 3.33Å; S447-K449 PolarHBondContact OG-N 3.46Å; S447-K449 VanDerWaalsContact OG-N 3.15Å; S447-H450 PolarHBondContact O-N 2.78Å; S447-H450 VanDerWaalsContact O-N 3.08Å
448	R	77.2	Confident	89.3	Confident	172 Å²	172	53.4 Å²	53.4	65%	0.649	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-61.9	-9.2	168.5	-69.6	-174.3	178.2	-177.7	-0.9	113.3	H446 H450 S451	H446-R448 PolarHBondContact O-N 2.91Å; R448-H450 PolarHBondContact O-N 2.96Å; R448-S451 PolarHBondContact O-OG 3.17Å
449	K	81.7	Confident	89.7	Confident	187 Å²	187	48.8 Å²	48.8	81%	0.813	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-65.2	-14.9	169.9	-61.1	-176.1	177.6	-174.7	0	112.7	S447	S447-K449 PolarHBondContact O-N 2.72Å; S447-K449 VanDerWaalsContact O-N 3.09Å; S447-K449 VanDerWaalsContact OG-CB 3.26Å; S447-K449 WeakPolarHBondContact OG-CB 3.23Å; S447-K449 WeakPolarHBondContact OG-CG 3.33Å; S447-K449 PolarHBondContact OG-N 3.46Å; S447-K449 VanDerWaalsContact OG-N 3.15Å
450	H	85.3	Confident	90	Very high	71 Å²	71	47 Å²	47	33%	0.329	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-115.6	54.9	178.3	-54.2	-54.2	0	0	0	110.5	S447 R448 F452 F461	S447-H450 PolarHBondContact O-N 2.78Å; S447-H450 VanDerWaalsContact O-N 3.08Å; R448-H450 PolarHBondContact O-N 2.96Å; H450-F452 HydrophobicContact CB-CE2 4.11Å; H450-F452 WeakPolarHBondContact O-CD2 3.17Å; H450-F452 WeakPolarHBondContact O-CE2 3.49Å; H450-F461 HydrophobicContact CB-CD1 4.4Å; H450-F461 HydrophobicContact CB-CE1 3.76Å; H450-F461 HydrophobicContact CB-CZ 4.39Å; H450-F461 AromaticContact CE1-CZ 3.76Å; H450-F461 AromaticContact CG-CE1 3.58Å; H450-F461 AromaticContact CG-CZ 3.85Å; H450-F461 AromaticContact ND1-CE1 3.57Å; H450-F461 AromaticContact ND1-CZ 3.32Å; H450-F461 VanDerWaalsContact ND1-CZ 3.32Å; H450-F461 WeakPolarHBondContact ND1-CZ 3.28Å
451	S	91	Very high	90.1	Very high	24 Å²	24	46.4 Å²	46.4	17%	0.168	21%	0.21	C	C	.	.			trans	-100	138.5	175.9	-64.8	0	0	0	0	110.2	M440 L441 H442 R448	M440-S451 WeakPolarHBondContact CE-O 3.43Å; L441-S451 CarbonylContact O-C 3.54Å; L441-S451 VanDerWaalsContact O-CA 3.3Å; L441-S451 WeakPolarHBondContact O-CA 3.33Å; H442-S451 WeakPolarHBondContact CB-OG 3.49Å; R448-S451 PolarHBondContact O-OG 3.17Å
452	F	93.4	Very high	90.1	Very high	40 Å²	40	46.5 Å²	46.5	18%	0.175	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-131.4	158.5	-173.3	-61.9	-86.7	0	0	0	111.8	M440 L441 H450 T454 E457 L458 F461	M440-F452 CarbonylContact C-O 3.53Å; L441-F452 WeakPolarHBondContact CB-O 3.47Å; L441-F452 PolarHBondContact N-O 3.31Å; L441-F452 PolarHBondContact O-N 3.23Å; H450-F452 HydrophobicContact CB-CE2 4.11Å; H450-F452 WeakPolarHBondContact O-CD2 3.17Å; H450-F452 WeakPolarHBondContact O-CE2 3.49Å; F452-T454 VanDerWaalsContact C-N 3.35Å; F452-E457 HydrophobicContact CB-CB 3.77Å; F452-E457 HydrophobicContact CD1-CB 3.74Å; F452-E457 HydrophobicContact CG-CB 3.95Å; F452-L458 HydrophobicContact CB-CB 4.26Å; F452-L458 HydrophobicContact CD2-CB 4Å; F452-L458 HydrophobicContact CD2-CD1 3.62Å; F452-L458 HydrophobicContact CD2-CG 4.44Å; F452-L458 HydrophobicContact CE2-CD1 4.11Å; F452-L458 HydrophobicContact CG-CB 4.41Å; F452-F461 HydrophobicContact CE1-CB 4.09Å; F452-F461 HydrophobicContact CE1-CD2 4.38Å; F452-F461 HydrophobicContact CE1-CG 4.22Å; F452-F461 HydrophobicContact CE2-CB 3.85Å; F452-F461 AromaticContact CE2-CD1 3.66Å; F452-F461 HydrophobicContact CE2-CD1 3.66Å; F452-F461 HydrophobicContact CE2-CE1 4.33Å; F452-F461 AromaticContact CE2-CG 3.77Å; F452-F461 HydrophobicContact CE2-CG 3.77Å; F452-F461 HydrophobicContact CZ-CB 3.47Å; F452-F461 VanDerWaalsContact CZ-CB 3.47Å; F452-F461 AromaticContact CZ-CD1 3.61Å; F452-F461 HydrophobicContact CZ-CD1 3.61Å; F452-F461 AromaticContact CZ-CD2 3.66Å; F452-F461 HydrophobicContact CZ-CD2 3.66Å; F452-F461 HydrophobicContact CZ-CE1 4.21Å; F452-F461 HydrophobicContact CZ-CE2 4.28Å; F452-F461 AromaticContact CZ-CG 3.28Å; F452-F461 HydrophobicContact CZ-CG 3.28Å
453	S	91.7	Very high	90.1	Very high	18 Å²	18	46.2 Å²	46.2	13%	0.126	21%	0.21	C	C	.	.	S	Bend	trans	-81.6	-19.6	-175.8	71.7	0	0	0	0	113.3	I314 E457	I314-S453 PolarHBondContact N-O 2.86Å; I314-S453 WeakPolarHBondContact O-CB 3.44Å; I314-S453 PolarHBondContact O-OG 2.69Å; S453-E457 PolarHBondContact N-OE2 3.07Å; S453-E457 PolarHBondContact OG-OE2 2.97Å
454	T	94.2	Very high	90	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-132.6	157.6	179.7	66.8	0	0	0	0	111.6	L303 E313 V315 F452 S456 E457 L458	L303-T454 HydrophobicContact CD1-CG2 3.78Å; E313-T454 HydrophobicContact CB-CG2 4.33Å; E313-T454 WeakPolarHBondContact OE1-CA 3.46Å; V315-T454 HydrophobicContact CG1-CG2 4.22Å; F452-T454 VanDerWaalsContact C-N 3.35Å; T454-S456 VanDerWaalsContact C-N 3.33Å; T454-E457 PolarHBondContact N-OE2 3.41Å; T454-E457 VanDerWaalsContact N-OE2 3.14Å; T454-E457 WeakPolarHBondContact OG1-CB 3.45Å; T454-E457 WeakPolarHBondContact OG1-CG 3.36Å; T454-E457 PolarHBondContact OG1-N 3.46Å; T454-E457 PolarHBondContact OG1-OE2 2.69Å; T454-L458 PolarHBondContact O-N 3.49Å
455	V	95.5	Very high	90.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.4	-35	174.1	179.5	0	0	0	0	110.9	E313 L375 L378 V403 L412 I433 L441 L458 V459	E313-V455 PolarHBondContact OE1-N 3.16Å; L375-V455 HydrophobicContact CD1-CB 4.13Å; L375-V455 HydrophobicContact CD1-CG1 3.99Å; L375-V455 HydrophobicContact CD1-CG2 4.19Å; L375-V455 HydrophobicContact CD2-CG2 4.38Å; L378-V455 HydrophobicContact CD1-CB 4.45Å; L378-V455 HydrophobicContact CD1-CG1 4.33Å; V403-V455 HydrophobicContact CG1-CG1 4.33Å; V403-V455 HydrophobicContact CG2-CG1 4.34Å; L412-V455 HydrophobicContact CD2-CG1 4.39Å; L412-V455 HydrophobicContact CD2-CG2 3.58Å; I433-V455 HydrophobicContact CD1-CG1 4.31Å; L441-V455 HydrophobicContact CD1-CG2 3.77Å; V455-L458 WeakPolarHBondContact O-CB 3.17Å; V455-L458 PolarHBondContact O-N 3.05Å; V455-V459 HydrophobicContact CG1-CG2 4.09Å; V455-V459 WeakPolarHBondContact O-CG2 3.42Å; V455-V459 PolarHBondContact O-N 2.85Å
456	S	94.7	Very high	90.6	Very high	5 Å²	5	50.5 Å²	50.5	4%	0.035	24%	0.239	C	C	.	.	H	α-helix	trans	-58.3	-53.5	176.3	-162.9	0	0	0	0	110.5	T454 L458 V459 D460	T454-S456 VanDerWaalsContact C-N 3.33Å; S456-L458 VanDerWaalsContact C-N 3.29Å; S456-L458 PolarHBondContact O-N 2.75Å; S456-V459 PolarHBondContact O-N 2.8Å; S456-D460 VanDerWaalsContact O-CB 3.24Å; S456-D460 WeakPolarHBondContact O-CB 3.43Å; S456-D460 PolarHBondContact O-N 2.95Å; S456-D460 PolarHBondContact OG-OD2 2.78Å
457	E	93.7	Very high	91.1	Very high	26 Å²	26	50.6 Å²	50.6	12%	0.121	24%	0.24	C	C	.	.	H	α-helix	trans	-57.1	-43.3	178.6	-73.4	169.3	130.7	0	0	112.1	L372 F452 S453 T454 F461	L372-E457 HydrophobicContact CD2-CG 3.35Å; F452-E457 HydrophobicContact CB-CB 3.77Å; F452-E457 HydrophobicContact CD1-CB 3.74Å; F452-E457 HydrophobicContact CG-CB 3.95Å; S453-E457 PolarHBondContact N-OE2 3.07Å; S453-E457 PolarHBondContact OG-OE2 2.97Å; T454-E457 PolarHBondContact N-OE2 3.41Å; T454-E457 VanDerWaalsContact N-OE2 3.14Å; T454-E457 WeakPolarHBondContact OG1-CB 3.45Å; T454-E457 WeakPolarHBondContact OG1-CG 3.36Å; T454-E457 PolarHBondContact OG1-N 3.46Å; T454-E457 PolarHBondContact OG1-OE2 2.69Å; E457-F461 WeakPolarHBondContact O-CB 3.44Å; E457-F461 PolarHBondContact O-N 3.4Å
458	L	94.9	Very high	91.9	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-54.8	176.7	179.3	69.7	0	0	0	110.7	I433 L443 F452 T454 V455 S456 F461 Y462	I433-L458 HydrophobicContact CD1-CD2 4.34Å; I433-L458 HydrophobicContact CG1-CD2 4.03Å; I433-L458 HydrophobicContact CG2-CD2 3.8Å; L443-L458 HydrophobicContact CD2-CD2 4.3Å; F452-L458 HydrophobicContact CB-CB 4.26Å; F452-L458 HydrophobicContact CD2-CB 4Å; F452-L458 HydrophobicContact CD2-CD1 3.62Å; F452-L458 HydrophobicContact CD2-CG 4.44Å; F452-L458 HydrophobicContact CE2-CD1 4.11Å; F452-L458 HydrophobicContact CG-CB 4.41Å; T454-L458 PolarHBondContact O-N 3.49Å; V455-L458 WeakPolarHBondContact O-CB 3.17Å; V455-L458 PolarHBondContact O-N 3.05Å; S456-L458 VanDerWaalsContact C-N 3.29Å; S456-L458 PolarHBondContact O-N 2.75Å; L458-F461 PolarHBondContact O-N 3.47Å; L458-Y462 HydrophobicContact CD1-CD2 4.12Å; L458-Y462 HydrophobicContact CD1-CE2 3.64Å; L458-Y462 HydrophobicContact CG-CD2 4.44Å; L458-Y462 HydrophobicContact CG-CE2 4.39Å; L458-Y462 WeakPolarHBondContact O-CD2 3.31Å; L458-Y462 PolarHBondContact O-N 3Å
459	V	95.4	Very high	92.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.4	-45.1	-177.2	172.4	0	0	0	0	111.2	Y380 Y401 V403 V455 S456 F461 Y462 A463 L480	Y380-V459 HydrophobicContact CE2-CB 4.32Å; Y380-V459 HydrophobicContact CE2-CG1 3.96Å; Y380-V459 HydrophobicContact CE2-CG2 4.24Å; Y401-V459 HydrophobicContact CD2-CG1 4.1Å; Y401-V459 HydrophobicContact CE2-CG1 3.53Å; V403-V459 HydrophobicContact CG2-CG2 4.05Å; V455-V459 HydrophobicContact CG1-CG2 4.09Å; V455-V459 WeakPolarHBondContact O-CG2 3.42Å; V455-V459 PolarHBondContact O-N 2.85Å; S456-V459 PolarHBondContact O-N 2.8Å; V459-F461 VanDerWaalsContact C-N 3.3Å; V459-F461 PolarHBondContact O-N 3.02Å; V459-Y462 PolarHBondContact O-N 2.95Å; V459-A463 WeakPolarHBondContact O-CB 3.37Å; V459-A463 PolarHBondContact O-N 3.29Å; V459-L480 HydrophobicContact CG1-CD1 4.23Å
460	D	93.5	Very high	93.1	Very high	28 Å²	28	40 Å²	40	15%	0.15	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-39.2	179.7	-66.1	-29.4	0	0	0	111	I370 S456 A463 N464	I370-D460 HydrophobicContact CD1-CB 4.34Å; S456-D460 VanDerWaalsContact O-CB 3.24Å; S456-D460 WeakPolarHBondContact O-CB 3.43Å; S456-D460 PolarHBondContact O-N 2.95Å; S456-D460 PolarHBondContact OG-OD2 2.78Å; D460-A463 PolarHBondContact O-N 2.85Å; D460-N464 WeakPolarHBondContact O-CB 3.35Å; D460-N464 PolarHBondContact O-N 3.46Å; D460-N464 PolarHBondContact O-ND2 3.34Å
461	F	93.2	Very high	93.2	Very high	44 Å²	44	37.4 Å²	37.4	19%	0.193	19%	0.194	C	C	.	.	H	α-helix	trans	-59.1	-49.3	173.8	173.5	-104.2	0	0	0	111.9	H450 F452 E457 L458 V459 N465 I467	H450-F461 HydrophobicContact CB-CD1 4.4Å; H450-F461 HydrophobicContact CB-CE1 3.76Å; H450-F461 HydrophobicContact CB-CZ 4.39Å; H450-F461 AromaticContact CE1-CZ 3.76Å; H450-F461 AromaticContact CG-CE1 3.58Å; H450-F461 AromaticContact CG-CZ 3.85Å; H450-F461 AromaticContact ND1-CE1 3.57Å; H450-F461 AromaticContact ND1-CZ 3.32Å; H450-F461 VanDerWaalsContact ND1-CZ 3.32Å; H450-F461 WeakPolarHBondContact ND1-CZ 3.28Å; F452-F461 HydrophobicContact CE1-CB 4.09Å; F452-F461 HydrophobicContact CE1-CD2 4.38Å; F452-F461 HydrophobicContact CE1-CG 4.22Å; F452-F461 HydrophobicContact CE2-CB 3.85Å; F452-F461 AromaticContact CE2-CD1 3.66Å; F452-F461 HydrophobicContact CE2-CD1 3.66Å; F452-F461 HydrophobicContact CE2-CE1 4.33Å; F452-F461 AromaticContact CE2-CG 3.77Å; F452-F461 HydrophobicContact CE2-CG 3.77Å; F452-F461 HydrophobicContact CZ-CB 3.47Å; F452-F461 VanDerWaalsContact CZ-CB 3.47Å; F452-F461 AromaticContact CZ-CD1 3.61Å; F452-F461 HydrophobicContact CZ-CD1 3.61Å; F452-F461 AromaticContact CZ-CD2 3.66Å; F452-F461 HydrophobicContact CZ-CD2 3.66Å; F452-F461 HydrophobicContact CZ-CE1 4.21Å; F452-F461 HydrophobicContact CZ-CE2 4.28Å; F452-F461 AromaticContact CZ-CG 3.28Å; F452-F461 HydrophobicContact CZ-CG 3.28Å; E457-F461 WeakPolarHBondContact O-CB 3.44Å; E457-F461 PolarHBondContact O-N 3.4Å; L458-F461 PolarHBondContact O-N 3.47Å; V459-F461 VanDerWaalsContact C-N 3.3Å; V459-F461 PolarHBondContact O-N 3.02Å; F461-N465 WeakPolarHBondContact CD2-ND2 3.22Å; F461-N465 VanDerWaalsContact O-CB 3.32Å; F461-N465 WeakPolarHBondContact O-CB 3.44Å; F461-N465 PolarHBondContact O-N 3.06Å; F461-N465 PolarHBondContact O-ND2 3.25Å; F461-I467 HydrophobicContact CD1-CD1 3.67Å; F461-I467 HydrophobicContact CE1-CD1 3.08Å; F461-I467 HydrophobicContact CE2-CD1 4.1Å; F461-I467 HydrophobicContact CG-CD1 4.38Å; F461-I467 HydrophobicContact CZ-CD1 3.33Å
462	Y	94.8	Very high	92.5	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-68.3	-37.8	179.3	-79.5	-79.8	0	0	0	112.7	L443 L458 V459 R466 I467 L469	L443-Y462 HydrophobicContact CD1-CD2 4.08Å; L443-Y462 HydrophobicContact CD1-CE1 4.17Å; L443-Y462 HydrophobicContact CD1-CE2 3.68Å; L443-Y462 HydrophobicContact CG-CE2 4.06Å; L458-Y462 HydrophobicContact CD1-CD2 4.12Å; L458-Y462 HydrophobicContact CD1-CE2 3.64Å; L458-Y462 HydrophobicContact CG-CD2 4.44Å; L458-Y462 HydrophobicContact CG-CE2 4.39Å; L458-Y462 WeakPolarHBondContact O-CD2 3.31Å; L458-Y462 PolarHBondContact O-N 3Å; V459-Y462 PolarHBondContact O-N 2.95Å; Y462-R466 PolarHBondContact O-N 3.38Å; Y462-I467 HydrophobicContact CD1-CB 3.66Å; Y462-I467 HydrophobicContact CD1-CD1 4.25Å; Y462-I467 HydrophobicContact CD1-CG2 3.61Å; Y462-I467 HydrophobicContact CE1-CB 4.19Å; Y462-I467 HydrophobicContact CE1-CD1 4.49Å; Y462-I467 HydrophobicContact CE1-CG2 3.62Å; Y462-I467 PolarHBondContact O-N 3.23Å; Y462-L469 HydrophobicContact CD1-CD2 3.55Å; Y462-L469 HydrophobicContact CD1-CG 4.22Å; Y462-L469 HydrophobicContact CE1-CD2 3.36Å; Y462-L469 HydrophobicContact CE1-CG 4.47Å; Y462-L469 HydrophobicContact CG-CD2 4.45Å
463	A	94.6	Very high	91.7	Very high	7 Å²	7	49.8 Å²	49.8	6%	0.058	24%	0.241	C	C	.	.	H	α-helix	trans	-72.2	-50.9	-179.1	0	0	0	0	0	112.6	V459 D460 N465 R466 L480	V459-A463 WeakPolarHBondContact O-CB 3.37Å; V459-A463 PolarHBondContact O-N 3.29Å; D460-A463 PolarHBondContact O-N 2.85Å; A463-N465 PolarHBondContact O-N 3.46Å; A463-R466 WeakPolarHBondContact O-CD 3.43Å; A463-R466 PolarHBondContact O-N 2.91Å; A463-L480 HydrophobicContact CB-CB 3.97Å; A463-L480 HydrophobicContact CB-CD1 4.45Å
464	N	93	Very high	90.9	Very high	106 Å²	106	51.6 Å²	51.6	57%	0.567	25%	0.247	S	C	*	.	H	α-helix	trans	-69.6	-36.4	-175.3	-64.8	-24	0	0	0	111.9	D460 R466	D460-N464 WeakPolarHBondContact O-CB 3.35Å; D460-N464 PolarHBondContact O-N 3.46Å; D460-N464 PolarHBondContact O-ND2 3.34Å; N464-R466 VanDerWaalsContact C-N 3.34Å
465	N	93.3	Very high	90	Very high	100 Å²	100	55.1 Å²	55.1	54%	0.535	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	3.8	179.1	-61.2	-76.3	0	0	0	113.6	F461 A463 I467	F461-N465 WeakPolarHBondContact CD2-ND2 3.22Å; F461-N465 VanDerWaalsContact O-CB 3.32Å; F461-N465 WeakPolarHBondContact O-CB 3.44Å; F461-N465 PolarHBondContact O-N 3.06Å; F461-N465 PolarHBondContact O-ND2 3.25Å; A463-N465 PolarHBondContact O-N 3.46Å; N465-I467 HydrophobicContact CB-CD1 3.93Å; N465-I467 HydrophobicContact CB-CG1 3.78Å; N465-I467 PolarHBondContact O-N 2.92Å; N465-I467 VanDerWaalsContact O-N 3.12Å
466	R	93.3	Very high	89.5	Confident	127 Å²	127	56.4 Å²	56.4	48%	0.479	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	38.5	179	-58.6	-61.9	-167.8	-163.6	3.7	113.5	Y462 A463 N464 K468 R479 L480	Y462-R466 PolarHBondContact O-N 3.38Å; A463-R466 WeakPolarHBondContact O-CD 3.43Å; A463-R466 PolarHBondContact O-N 2.91Å; N464-R466 VanDerWaalsContact C-N 3.34Å; R466-K468 PolarHBondContact O-N 3.46Å; R466-R479 VanDerWaalsContact O-CD 3.29Å; R466-R479 WeakPolarHBondContact O-CD 3.19Å; R466-R479 PolarHBondContact O-NE 3.04Å; R466-L480 PolarHBondContact NH1-O 3.03Å
467	I	92.6	Very high	89.4	Confident	45 Å²	45	59 Å²	59	23%	0.231	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-69.7	132.9	-174.5	-64.7	171.8	0	0	0	109.7	F461 Y462 N465	F461-I467 HydrophobicContact CD1-CD1 3.67Å; F461-I467 HydrophobicContact CE1-CD1 3.08Å; F461-I467 HydrophobicContact CE2-CD1 4.1Å; F461-I467 HydrophobicContact CG-CD1 4.38Å; F461-I467 HydrophobicContact CZ-CD1 3.33Å; Y462-I467 HydrophobicContact CD1-CB 3.66Å; Y462-I467 HydrophobicContact CD1-CD1 4.25Å; Y462-I467 HydrophobicContact CD1-CG2 3.61Å; Y462-I467 HydrophobicContact CE1-CB 4.19Å; Y462-I467 HydrophobicContact CE1-CD1 4.49Å; Y462-I467 HydrophobicContact CE1-CG2 3.62Å; Y462-I467 PolarHBondContact O-N 3.23Å; N465-I467 HydrophobicContact CB-CD1 3.93Å; N465-I467 HydrophobicContact CB-CG1 3.78Å; N465-I467 PolarHBondContact O-N 2.92Å; N465-I467 VanDerWaalsContact O-N 3.12Å
468	K	92.9	Very high	89.3	Confident	124 Å²	124	58.2 Å²	58.2	54%	0.539	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-74.3	124.1	177.6	-72.2	179.1	-176.7	177	0	110.2	R466 P477 V478 R479	R466-K468 PolarHBondContact O-N 3.46Å; K468-P477 HydrophobicContact CB-CB 3.89Å; K468-P477 HydrophobicContact CB-CG 4.34Å; K468-P477 HydrophobicContact CD-CB 4.47Å; K468-P477 HydrophobicContact CD-CG 4Å; K468-P477 HydrophobicContact CG-CB 4.33Å; K468-P477 HydrophobicContact CG-CG 4.31Å; K468-V478 WeakPolarHBondContact CA-O 3.42Å; K468-R479 HydrophobicContact CG-CG 4.39Å
469	L	93.3	Very high	89.3	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-99.5	118.2	172	-63.2	175.4	0	0	0	110	L414 F431 L443 Y462 T471 P477 V478 L480	L414-L469 HydrophobicContact CD2-CD1 4.25Å; F431-L469 HydrophobicContact CD1-CB 4.47Å; F431-L469 HydrophobicContact CD2-CD1 4.14Å; F431-L469 HydrophobicContact CE1-CB 3.72Å; F431-L469 HydrophobicContact CE1-CD1 4.39Å; F431-L469 HydrophobicContact CE2-CB 4.3Å; F431-L469 HydrophobicContact CE2-CD1 4.01Å; F431-L469 HydrophobicContact CG-CD1 4.4Å; F431-L469 HydrophobicContact CZ-CB 3.61Å; F431-L469 HydrophobicContact CZ-CD1 4.14Å; L443-L469 HydrophobicContact CD1-CD1 4.08Å; L443-L469 HydrophobicContact CD1-CD2 3.5Å; L443-L469 HydrophobicContact CD1-CG 4.46Å; Y462-L469 HydrophobicContact CD1-CD2 3.55Å; Y462-L469 HydrophobicContact CD1-CG 4.22Å; Y462-L469 HydrophobicContact CE1-CD2 3.36Å; Y462-L469 HydrophobicContact CE1-CG 4.47Å; Y462-L469 HydrophobicContact CG-CD2 4.45Å; L469-T471 PolarHBondContact O-N 3.41Å; L469-P477 CarbonylContact O-C 3.49Å; L469-P477 WeakPolarHBondContact O-CA 3.3Å; L469-P477 WeakPolarHBondContact O-CB 3.48Å; L469-V478 HydrophobicContact CB-CG2 3.84Å; L469-V478 PolarHBondContact N-O 3.12Å; L469-V478 PolarHBondContact O-N 3.06Å; L469-L480 HydrophobicContact CD1-CD2 4.22Å
470	A	90.2	Very high	89.4	Confident	70 Å²	70	63 Å²	63	58%	0.579	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-66.5	127.3	177.2	0	0	0	0	0	111.3	F431	F431-A470 WeakPolarHBondContact CE1-O 3.13Å
471	T	86.8	Confident	89.5	Confident	16 Å²	16	65.7 Å²	65.7	10%	0.098	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-93.9	137.4	178.5	64.7	0	0	0	0	110.3	V429 F431 L469 F474 G475 S476 V478	V429-T471 HydrophobicContact CG1-CG2 4.04Å; V429-T471 HydrophobicContact CG2-CG2 4.19Å; F431-T471 HydrophobicContact CZ-CG2 4.35Å; L469-T471 PolarHBondContact O-N 3.41Å; T471-F474 WeakPolarHBondContact OG1-CB 3.22Å; T471-G475 PolarHBondContact OG1-N 3.09Å; T471-S476 VanDerWaalsContact CG2-O 3.28Å; T471-S476 WeakPolarHBondContact CG2-O 3.5Å; T471-S476 PolarHBondContact OG1-O 3.3Å; T471-V478 HydrophobicContact CG2-CB 4.39Å; T471-V478 HydrophobicContact CG2-CG1 3.7Å; T471-V478 HydrophobicContact CG2-CG2 4.05Å
472	R	78	Confident	89.6	Confident	143 Å²	143	69.9 Å²	69.9	54%	0.54	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-39.8	-178.4	-67.6	-174.9	-169.4	177.3	5.6	113.1	E444 R445	E444-R472 IonicContact OE2-NH2 2.58Å; E444-R472 PolarHBondContact OE2-NH2 3.43Å; R445-R472 VanDerWaalsContact NH1-NE 3.13Å
473	F	75	Confident	89.7	Confident	180 Å²	180	71.9 Å²	71.9	79%	0.789	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-16.8	-166.9	-59.9	-73.8	0	0	0	114.2
474	F	75.9	Confident	89.7	Confident	56 Å²	56	72.3 Å²	72.3	25%	0.246	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-5.4	-167.2	-58.4	-77.4	0	0	0	114.3	Y418 Y427 V429 T471 S476	Y418-F474 HydrophobicContact CD1-CB 3.95Å; Y418-F474 AromaticContact CD1-CD1 3.7Å; Y418-F474 HydrophobicContact CD1-CD1 3.7Å; Y418-F474 HydrophobicContact CD1-CD2 4.15Å; Y418-F474 HydrophobicContact CD1-CE1 4.2Å; Y418-F474 AromaticContact CD1-CG 3.67Å; Y418-F474 HydrophobicContact CD1-CG 3.67Å; Y418-F474 HydrophobicContact CE1-CB 3.34Å; Y418-F474 AromaticContact CE1-CD1 3.41Å; Y418-F474 HydrophobicContact CE1-CD1 3.41Å; Y418-F474 VanDerWaalsContact CE1-CD1 3.41Å; Y418-F474 HydrophobicContact CE1-CD2 4.36Å; Y418-F474 HydrophobicContact CE1-CE1 4.28Å; Y418-F474 AromaticContact CE1-CG 3.45Å; Y418-F474 HydrophobicContact CE1-CG 3.45Å; Y418-F474 VanDerWaalsContact CE1-CG 3.45Å; Y418-F474 HydrophobicContact CE2-CB 4.35Å; Y418-F474 PolarHBondContact OH-O 3.41Å; Y427-F474 HydrophobicContact CD1-CE1 4.29Å; Y427-F474 HydrophobicContact CD1-CZ 4.42Å; Y427-F474 AromaticContact CD2-CE1 3.9Å; Y427-F474 HydrophobicContact CD2-CE1 3.9Å; Y427-F474 HydrophobicContact CE2-CE1 4.46Å; Y427-F474 AromaticContact CG-CE1 3.8Å; Y427-F474 HydrophobicContact CG-CE1 3.8Å; Y427-F474 HydrophobicContact CG-CZ 4.03Å; V429-F474 HydrophobicContact CG2-CD2 3.7Å; V429-F474 HydrophobicContact CG2-CE2 3.62Å; T471-F474 WeakPolarHBondContact OG1-CB 3.22Å; F474-S476 PolarHBondContact O-N 3.24Å
475	G	75.8	Confident	89.7	Confident	74 Å²	74	69.8 Å²	69.8	76%	0.763	36%	0.357	S	S	*	.	S	Bend	trans	69.2	-26.3	175.3	0	0	0	0	0	115.7	T471	T471-G475 PolarHBondContact OG1-N 3.09Å
476	S	85.4	Confident	89.6	Confident	27 Å²	27	65.4 Å²	65.4	19%	0.189	34%	0.335	C	S	.	.	S	Bend	trans	-99.3	137.4	176.4	-63	0	0	0	0	111.1	T471 F474	T471-S476 VanDerWaalsContact CG2-O 3.28Å; T471-S476 WeakPolarHBondContact CG2-O 3.5Å; T471-S476 PolarHBondContact OG1-O 3.3Å; F474-S476 PolarHBondContact O-N 3.24Å
477	P	90.7	Very high	89.1	Confident	61 Å²	61	63.5 Å²	63.5	40%	0.396	33%	0.334	S	S	.	.			trans	-74.1	150.5	176.7	29.6	-33.5	0	0	0	112	K468 L469	K468-P477 HydrophobicContact CB-CB 3.89Å; K468-P477 HydrophobicContact CB-CG 4.34Å; K468-P477 HydrophobicContact CD-CB 4.47Å; K468-P477 HydrophobicContact CD-CG 4Å; K468-P477 HydrophobicContact CG-CB 4.33Å; K468-P477 HydrophobicContact CG-CG 4.31Å; L469-P477 CarbonylContact O-C 3.49Å; L469-P477 WeakPolarHBondContact O-CA 3.3Å; L469-P477 WeakPolarHBondContact O-CB 3.48Å
478	V	93.1	Very high	88.4	Confident	9 Å²	9	66 Å²	66	6%	0.055	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-105.8	164.8	175.7	-64.6	0	0	0	0	111.4	V416 Y418 V429 F431 K468 L469 T471	V416-V478 HydrophobicContact CB-CG2 4.12Å; V416-V478 HydrophobicContact CG1-CB 3.98Å; V416-V478 HydrophobicContact CG1-CG2 4.01Å; V416-V478 HydrophobicContact CG2-CG2 4.36Å; Y418-V478 HydrophobicContact CD2-CG1 3.49Å; Y418-V478 VanDerWaalsContact CD2-CG1 3.49Å; Y418-V478 HydrophobicContact CE2-CG1 4.44Å; Y418-V478 HydrophobicContact CG-CG1 4.01Å; V429-V478 HydrophobicContact CG2-CG1 4.47Å; F431-V478 HydrophobicContact CE2-CG2 3.69Å; F431-V478 HydrophobicContact CZ-CG2 3.56Å; K468-V478 WeakPolarHBondContact CA-O 3.42Å; L469-V478 HydrophobicContact CB-CG2 3.84Å; L469-V478 PolarHBondContact N-O 3.12Å; L469-V478 PolarHBondContact O-N 3.06Å; T471-V478 HydrophobicContact CG2-CB 4.39Å; T471-V478 HydrophobicContact CG2-CG1 3.7Å; T471-V478 HydrophobicContact CG2-CG2 4.05Å
479	R	94.9	Very high	87.8	Confident	103 Å²	103	63.4 Å²	63.4	39%	0.389	33%	0.334	S	S	.	.			trans	-136.2	151.9	173.7	-66.9	-176	178.7	100.1	-21.8	110.2	G399 R466 K468 L481	G399-R479 VanDerWaalsContact CA-O 3.22Å; G399-R479 WeakPolarHBondContact CA-O 3.49Å; R466-R479 VanDerWaalsContact O-CD 3.29Å; R466-R479 WeakPolarHBondContact O-CD 3.19Å; R466-R479 PolarHBondContact O-NE 3.04Å; K468-R479 HydrophobicContact CG-CG 4.39Å; R479-L481 HydrophobicContact CB-CD2 4.26Å; R479-L481 PolarHBondContact O-N 3.48Å
480	L	96.8	Very high	87.1	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.345	C	S	.	.			trans	-81.7	115.4	172.7	-48.3	-174.1	0	0	0	108.7	Y401 L414 V416 V459 A463 R466 L469	Y401-L480 HydrophobicContact CD1-CB 3.63Å; Y401-L480 HydrophobicContact CD1-CD2 4.41Å; Y401-L480 HydrophobicContact CD1-CG 4.49Å; Y401-L480 HydrophobicContact CE1-CB 3.93Å; Y401-L480 HydrophobicContact CG-CB 4.06Å; Y401-L480 HydrophobicContact CG-CD2 4.07Å; Y401-L480 HydrophobicContact CG-CG 4.45Å; L414-L480 HydrophobicContact CD1-CD1 4.5Å; L414-L480 HydrophobicContact CD1-CD2 4.31Å; L414-L480 HydrophobicContact CD2-CD1 4.17Å; L414-L480 HydrophobicContact CD2-CD2 4.15Å; L414-L480 HydrophobicContact CG-CD2 4.49Å; V416-L480 HydrophobicContact CB-CD2 4.4Å; V416-L480 HydrophobicContact CG1-CD2 4.17Å; V416-L480 HydrophobicContact CG2-CD2 3.33Å; V459-L480 HydrophobicContact CG1-CD1 4.23Å; A463-L480 HydrophobicContact CB-CB 3.97Å; A463-L480 HydrophobicContact CB-CD1 4.45Å; R466-L480 PolarHBondContact NH1-O 3.03Å; L469-L480 HydrophobicContact CD1-CD2 4.22Å
481	L	96.1	Very high	86.5	Confident	84 Å²	84	63.9 Å²	63.9	44%	0.44	34%	0.335	S	S	.	.			trans	-110	-52.3	-177.2	-61.8	-173	0	0	0	112.5	G399 R479	G399-L481 PolarHBondContact O-N 3.29Å; R479-L481 HydrophobicContact CB-CD2 4.26Å; R479-L481 PolarHBondContact O-N 3.48Å
482	K	95.8	Very high	86.1	Confident	132 Å²	132	64.2 Å²	64.2	57%	0.574	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	127.9	-174.3	-176.9	-177.1	176	-173.8	0	111.1	G399 D400 Y401	G399-K482 PolarHBondContact O-N 3.5Å; D400-K482 CarbonylContact C-O 3.56Å; D400-K482 VanDerWaalsContact CA-O 3.25Å; D400-K482 WeakPolarHBondContact CA-O 3.36Å; Y401-K482 WeakPolarHBondContact CD1-O 3.35Å; Y401-K482 PolarHBondContact N-O 2.74Å
483	P	96.3	Very high	86.1	Confident	45 Å²	45	60 Å²	60	29%	0.292	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	133.7	174.1	25.4	-29.6	0	0	0	110.7	Y380 Y401	Y380-P483 HydrophobicContact CD1-CB 3.74Å; Y380-P483 HydrophobicContact CG-CB 4.11Å; Y401-P483 HydrophobicContact CE1-CB 4.19Å; Y401-P483 VanDerWaalsContact CE1-N 3.25Å; Y401-P483 HydrophobicContact CE2-CB 3.78Å; Y401-P483 CarbonylContact O-C 3.36Å; Y401-P483 WeakPolarHBondContact O-CA 3.49Å
484	V	95.4	Very high	86.2	Confident	16 Å²	16	58.3 Å²	58.3	10%	0.097	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-85.8	119.5	168	-176.7	0	0	0	0	107.7	Y380 H382 R394 F395 D400 Y401	Y380-V484 VanDerWaalsContact CA-O 3.31Å; Y380-V484 WeakPolarHBondContact CA-O 3.25Å; Y380-V484 WeakPolarHBondContact CB-O 3.36Å; H382-V484 PolarHBondContact NE2-O 3.45Å; R394-V484 HydrophobicContact CB-CG1 3.98Å; F395-V484 HydrophobicContact CD1-CG2 3.9Å; F395-V484 HydrophobicContact CD2-CG1 4.48Å; F395-V484 HydrophobicContact CD2-CG2 4.31Å; F395-V484 HydrophobicContact CE1-CB 4.37Å; F395-V484 HydrophobicContact CE1-CG2 3.85Å; F395-V484 HydrophobicContact CE2-CB 4.24Å; F395-V484 HydrophobicContact CE2-CG1 4.17Å; F395-V484 HydrophobicContact CE2-CG2 4.24Å; F395-V484 HydrophobicContact CG-CG2 4.15Å; F395-V484 HydrophobicContact CZ-CB 4.07Å; F395-V484 HydrophobicContact CZ-CG1 4.5Å; F395-V484 HydrophobicContact CZ-CG2 4.02Å; D400-V484 HydrophobicContact CB-CG2 3.6Å; Y401-V484 PolarHBondContact O-N 2.81Å
485	I	92.7	Very high	86.3	Confident	53 Å²	53	55.6 Å²	55.6	27%	0.272	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-79.3	139.4	-178	-48.5	-60.2	0	0	0	109.7	P379 F489 L490	P379-I485 HydrophobicContact CB-CD1 3.67Å; P379-I485 HydrophobicContact CB-CG2 4.15Å; P379-I485 WeakPolarHBondContact O-CA 3.35Å; I485-F489 HydrophobicContact CG2-CB 4.07Å; I485-F489 HydrophobicContact CG2-CD1 3.46Å; I485-F489 VanDerWaalsContact CG2-CD1 3.46Å; I485-F489 HydrophobicContact CG2-CE1 4.23Å; I485-F489 HydrophobicContact CG2-CG 4.08Å; I485-L490 HydrophobicContact CB-CD1 4.34Å; I485-L490 HydrophobicContact CB-CD2 4.19Å; I485-L490 HydrophobicContact CB-CG 4.13Å; I485-L490 HydrophobicContact CG2-CD2 3.87Å; I485-L490 HydrophobicContact CG2-CG 3.81Å
486	S	90.2	Very high	86.1	Confident	9 Å²	9	53.8 Å²	53.8	6%	0.063	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-71.9	148.2	-180	75	0	0	0	0	112.2	P379 Y381 E488 F489 L490	P379-S486 PolarHBondContact O-N 2.71Å; Y381-S486 VanDerWaalsContact O-CB 3.3Å; Y381-S486 WeakPolarHBondContact O-CB 3.37Å; Y381-S486 PolarHBondContact O-OG 3.08Å; S486-E488 VanDerWaalsContact C-N 3.26Å; S486-E488 PolarHBondContact O-N 2.89Å; S486-F489 WeakPolarHBondContact O-CB 3.03Å; S486-F489 PolarHBondContact O-N 3.31Å; S486-F489 VanDerWaalsContact O-N 3.13Å; S486-F489 VanDerWaalsContact OG-CB 3.32Å; S486-F489 WeakPolarHBondContact OG-CB 3.41Å; S486-F489 PolarHBondContact OG-N 3.06Å; S486-L490 WeakPolarHBondContact O-CG 3.1Å; S486-L490 PolarHBondContact O-N 2.9Å
487	D	82.2	Confident	85.2	Confident	87 Å²	87	54 Å²	54	47%	0.465	27%	0.269	S	S	.	.	H	α-helix	trans	-67.5	-28.2	177.4	-81.9	14.8	0	0	0	112.7	R394 F489 L490 G491	R394-D487 VanDerWaalsContact CZ-CG 3.41Å; R394-D487 IonicContact CZ-OD1 2.83Å; R394-D487 IonicContact CZ-OD2 2.68Å; R394-D487 IonicContact NH1-OD1 3.22Å; R394-D487 PolarHBondContact NH1-OD1 2.86Å; R394-D487 IonicContact NH1-OD2 2.72Å; R394-D487 PolarHBondContact NH1-OD2 3.23Å; R394-D487 VanDerWaalsContact NH2-CG 3.27Å; R394-D487 IonicContact NH2-OD1 2.8Å; R394-D487 IonicContact NH2-OD2 3.55Å; R394-D487 PolarHBondContact NH2-OD2 2.93Å; D487-F489 PolarHBondContact O-N 2.92Å; D487-L490 PolarHBondContact O-N 3.18Å; D487-G491 VanDerWaalsContact O-CA 3.31Å; D487-G491 WeakPolarHBondContact O-CA 3.26Å; D487-G491 PolarHBondContact O-N 3.18Å
488	E	78.1	Confident	84	Confident	98 Å²	98	56 Å²	56	46%	0.458	28%	0.277	S	S	.	.	H	α-helix	trans	-62.2	-41.7	173.5	-173.5	177.8	169.4	0	0	109.6	S486 N492 R599	S486-E488 VanDerWaalsContact C-N 3.26Å; S486-E488 PolarHBondContact O-N 2.89Å; E488-N492 PolarHBondContact O-N 3.27Å; E488-N492 PolarHBondContact O-ND2 2.82Å; E488-R599 WeakPolarHBondContact OE1-CD 3.21Å; E488-R599 VanDerWaalsContact OE1-CG 3.27Å; E488-R599 WeakPolarHBondContact OE1-CG 3.2Å
489	F	80.4	Confident	82.7	Confident	69 Å²	69	56.8 Å²	56.8	30%	0.303	28%	0.282	S	S	.	.	H	α-helix	trans	-69.5	-47.7	175.6	-167.2	-87.4	0	0	0	112.1	P379 I485 S486 D487 N492 Q493	P379-F489 HydrophobicContact CB-CD1 4.2Å; P379-F489 HydrophobicContact CB-CD2 4.36Å; P379-F489 HydrophobicContact CB-CE1 4.03Å; P379-F489 HydrophobicContact CB-CE2 4.23Å; P379-F489 HydrophobicContact CB-CG 4.34Å; P379-F489 HydrophobicContact CB-CZ 4.06Å; P379-F489 HydrophobicContact CG-CE1 4.3Å; P379-F489 HydrophobicContact CG-CE2 4.07Å; P379-F489 HydrophobicContact CG-CZ 3.89Å; I485-F489 HydrophobicContact CG2-CB 4.07Å; I485-F489 HydrophobicContact CG2-CD1 3.46Å; I485-F489 VanDerWaalsContact CG2-CD1 3.46Å; I485-F489 HydrophobicContact CG2-CE1 4.23Å; I485-F489 HydrophobicContact CG2-CG 4.08Å; S486-F489 WeakPolarHBondContact O-CB 3.03Å; S486-F489 PolarHBondContact O-N 3.31Å; S486-F489 VanDerWaalsContact O-N 3.13Å; S486-F489 VanDerWaalsContact OG-CB 3.32Å; S486-F489 WeakPolarHBondContact OG-CB 3.41Å; S486-F489 PolarHBondContact OG-N 3.06Å; D487-F489 PolarHBondContact O-N 2.92Å; F489-N492 PolarHBondContact O-N 3.19Å; F489-Q493 WeakPolarHBondContact O-CG 3.41Å; F489-Q493 PolarHBondContact O-N 2.85Å
490	L	79.7	Confident	81.6	Confident	44 Å²	44	60.2 Å²	60.2	23%	0.23	30%	0.295	C	S	.	.	H	α-helix	trans	-66.8	-37.1	178.4	-69.2	174.6	0	0	0	113	I485 S486 D487 N492 Q493 R494	I485-L490 HydrophobicContact CB-CD1 4.34Å; I485-L490 HydrophobicContact CB-CD2 4.19Å; I485-L490 HydrophobicContact CB-CG 4.13Å; I485-L490 HydrophobicContact CG2-CD2 3.87Å; I485-L490 HydrophobicContact CG2-CG 3.81Å; S486-L490 WeakPolarHBondContact O-CG 3.1Å; S486-L490 PolarHBondContact O-N 2.9Å; D487-L490 PolarHBondContact O-N 3.18Å; L490-N492 VanDerWaalsContact C-N 3.26Å; L490-N492 PolarHBondContact O-N 3.44Å; L490-Q493 CarbonylContact O-C 3.56Å; L490-Q493 WeakPolarHBondContact O-CA 3.45Å; L490-Q493 PolarHBondContact O-N 2.89Å; L490-R494 WeakPolarHBondContact O-CG 3.4Å; L490-R494 PolarHBondContact O-N 2.82Å
491	G	76.6	Confident	80.6	Confident	36 Å²	36	62.1 Å²	62.1	37%	0.371	30%	0.304	S	S	.	.	H	α-helix	trans	-65.5	-31.7	-179.9	0	0	0	0	0	112.1	D487 Q493 K583	D487-G491 VanDerWaalsContact O-CA 3.31Å; D487-G491 WeakPolarHBondContact O-CA 3.26Å; D487-G491 PolarHBondContact O-N 3.18Å; G491-Q493 VanDerWaalsContact C-N 3.31Å; G491-K583 WeakPolarHBondContact O-CE 3.48Å
492	N	79.3	Confident	79.6	Confident	22 Å²	22	60.9 Å²	60.9	12%	0.118	30%	0.298	C	S	.	.	H	α-helix	trans	-74	-20.1	170.5	-72.6	-14.6	0	0	0	113	E488 F489 L490 K583 I586 V587 R598	E488-N492 PolarHBondContact O-N 3.27Å; E488-N492 PolarHBondContact O-ND2 2.82Å; F489-N492 PolarHBondContact O-N 3.19Å; L490-N492 VanDerWaalsContact C-N 3.26Å; L490-N492 PolarHBondContact O-N 3.44Å; N492-K583 WeakPolarHBondContact O-CB 3.4Å; N492-K583 WeakPolarHBondContact O-CG 3.46Å; N492-I586 HydrophobicContact CB-CG2 3.94Å; N492-V587 WeakPolarHBondContact O-CG2 3.27Å; N492-R598 PolarHBondContact ND2-O 3.4Å
493	Q	77.8	Confident	78.9	Confident	54 Å²	54	59.1 Å²	59.1	25%	0.252	30%	0.298	S	S	.	.	H	α-helix	trans	-95.7	-36.1	-179.4	-70.2	-173.8	-19.6	0	0	114.3	S110 P111 F489 L490 G491 V495 V587	S110-Q493 CarbonylContact C-O 3.51Å; S110-Q493 WeakPolarHBondContact CA-O 3.48Å; P111-Q493 WeakPolarHBondContact CD-O 3.44Å; F489-Q493 WeakPolarHBondContact O-CG 3.41Å; F489-Q493 PolarHBondContact O-N 2.85Å; L490-Q493 CarbonylContact O-C 3.56Å; L490-Q493 WeakPolarHBondContact O-CA 3.45Å; L490-Q493 PolarHBondContact O-N 2.89Å; G491-Q493 VanDerWaalsContact C-N 3.31Å; Q493-V495 PolarHBondContact O-N 3.12Å; Q493-V587 HydrophobicContact CG-CG2 4.01Å
494	R	77.9	Confident	78.3	Confident	145 Å²	145	57.1 Å²	57.1	55%	0.547	29%	0.285	S	S	.	.			trans	-72.6	116.4	-178.1	-71.5	179	180	-176.8	-0	109.5	V107 L108 L490 K583	V107-R494 HydrophobicContact CG1-CB 4.36Å; L108-R494 WeakPolarHBondContact O-CA 3.3Å; L490-R494 WeakPolarHBondContact O-CG 3.4Å; L490-R494 PolarHBondContact O-N 2.82Å; R494-K583 VanDerWaalsContact O-CD 3.32Å; R494-K583 WeakPolarHBondContact O-CD 3.49Å; R494-K583 VanDerWaalsContact O-CE 3.29Å; R494-K583 WeakPolarHBondContact O-CE 3.42Å; R494-K583 PolarHBondContact O-NZ 2.98Å
495	V	77.8	Confident	77.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	140.7	177	169.6	0	0	0	0	109.9	V107 L108 P111 Q493 R497 D579 E580 K583	V107-V495 CarbonylContact C-O 3.6Å; V107-V495 VanDerWaalsContact CA-O 3.29Å; V107-V495 WeakPolarHBondContact CA-O 3.13Å; L108-V495 HydrophobicContact CB-CB 4.12Å; L108-V495 HydrophobicContact CD1-CB 4.24Å; L108-V495 HydrophobicContact CD1-CG1 4.22Å; L108-V495 PolarHBondContact N-O 3.03Å; L108-V495 PolarHBondContact O-N 3.13Å; L108-V495 VanDerWaalsContact O-N 3.14Å; P111-V495 HydrophobicContact CB-CG2 3.62Å; Q493-V495 PolarHBondContact O-N 3.12Å; V495-R497 HydrophobicContact CG1-CG 4.36Å; V495-D579 WeakPolarHBondContact CA-OD2 3.12Å; V495-E580 HydrophobicContact CG1-CB 3.48Å; V495-E580 VanDerWaalsContact CG1-CB 3.48Å; V495-E580 HydrophobicContact CG1-CG 3.74Å; V495-E580 HydrophobicContact CG2-CB 4.43Å; V495-E580 HydrophobicContact CG2-CG 4.3Å; V495-K583 HydrophobicContact CG2-CB 3.98Å; V495-K583 HydrophobicContact CG2-CD 3.8Å
496	V	71.8	Confident	77.6	Confident	35 Å²	35	57.5 Å²	57.5	21%	0.212	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	99	172.6	-169.7	0	0	0	0	107.9	V105 C499 D579	V105-V496 HydrophobicContact CG1-CG1 3.31Å; V496-C499 HydrophobicContact CB-CB 4.45Å; V496-C499 HydrophobicContact CG1-CB 3.58Å; V496-C499 WeakPolarHBondContact CG1-SG 3.46Å; V496-D579 PolarHBondContact N-OD2 3.21Å
497	R	66.2	Low	77.5	Confident	31 Å²	31	57.3 Å²	57.3	12%	0.117	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	153.1	177.8	-86.6	-171.2	172.8	173.3	3.2	111.4	T106 L108 E194 V495 C499 E580	T106-R497 WeakPolarHBondContact O-CB 3.44Å; T106-R497 PolarHBondContact O-N 3.49Å; L108-R497 HydrophobicContact CD1-CG 3.82Å; L108-R497 VanDerWaalsContact CD1-CZ 3.43Å; L108-R497 HydrophobicContact CG-CG 3.88Å; E194-R497 IonicContact OE1-CZ 3.04Å; E194-R497 IonicContact OE1-NH1 2.68Å; E194-R497 PolarHBondContact OE1-NH1 3.02Å; E194-R497 IonicContact OE1-NH2 2.9Å; E194-R497 PolarHBondContact OE1-NH2 2.76Å; E194-R497 IonicContact OE2-NH2 3.45Å; V495-R497 HydrophobicContact CG1-CG 4.36Å; R497-C499 PolarHBondContact O-N 3.3Å; R497-E580 IonicContact CZ-OE1 2.92Å; R497-E580 IonicContact NE-OE1 3.49Å; R497-E580 PolarHBondContact NE-OE1 3.32Å; R497-E580 VanDerWaalsContact NE-OE1 3.17Å; R497-E580 IonicContact NE-OE2 3.31Å; R497-E580 PolarHBondContact NE-OE2 3.28Å; R497-E580 IonicContact NH2-OE1 2.8Å; R497-E580 PolarHBondContact NH2-OE1 3.38Å
498	N	64.9	Low	77.6	Confident	104 Å²	104	54.1 Å²	54.1	56%	0.556	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	28.2	172.3	-58	-21.9	0	0	0	114.1
499	C	66	Low	77.6	Confident	26 Å²	26	54.2 Å²	54.2	18%	0.176	28%	0.28	C	S	.	.			trans	-103	136.6	176.6	-79.1	0	0	0	0	110.3	V496 R497 V503	V496-C499 HydrophobicContact CB-CB 4.45Å; V496-C499 HydrophobicContact CG1-CB 3.58Å; V496-C499 WeakPolarHBondContact CG1-SG 3.46Å; R497-C499 PolarHBondContact O-N 3.3Å; C499-V503 HydrophobicContact CB-CG2 3.81Å
500	R	71.2	Confident	77	Confident	174 Å²	174	52.5 Å²	52.5	66%	0.657	28%	0.275	S	S	*	.			trans	-57.5	140.7	169.1	-64.8	-178	72.7	175.4	2.2	108.8	D502 V503	R500-D502 WeakPolarHBondContact CB-OD1 3.17Å; R500-D502 PolarHBondContact O-N 2.65Å; R500-D502 VanDerWaalsContact O-N 3.15Å; R500-V503 WeakPolarHBondContact O-CG2 3.47Å; R500-V503 PolarHBondContact O-N 3.12Å
501	H	76.8	Confident	76	Confident	40 Å²	40	58.2 Å²	58.2	19%	0.185	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-64.2	-21.1	-176.6	50.6	-93.6	0	0	0	113.3	V503 L504 F507 Q530 P537 V578	H501-V503 VanDerWaalsContact C-N 3.27Å; H501-V503 PolarHBondContact O-N 2.83Å; H501-L504 HydrophobicContact CB-CD1 4.15Å; H501-L504 WeakPolarHBondContact O-CB 3.15Å; H501-L504 WeakPolarHBondContact O-CG 3.13Å; H501-L504 PolarHBondContact O-N 3.22Å; H501-L504 VanDerWaalsContact O-N 3.12Å; H501-F507 HydrophobicContact CB-CD2 4.38Å; H501-F507 AromaticContact CD2-CD2 3.91Å; H501-F507 AromaticContact CD2-CE1 3.99Å; H501-F507 AromaticContact CD2-CE2 3.36Å; H501-F507 WeakPolarHBondContact CD2-CE2 3.46Å; H501-F507 AromaticContact CD2-CZ 3.41Å; H501-F507 VanDerWaalsContact CD2-CZ 3.41Å; H501-F507 WeakPolarHBondContact CD2-CZ 3.47Å; H501-F507 AromaticContact NE2-CZ 3.97Å; H501-F507 WeakPolarHBondContact O-CB 3.35Å; H501-F507 VanDerWaalsContact O-CG 3.22Å; H501-F507 WeakPolarHBondContact O-CG 3.37Å; H501-Q530 VanDerWaalsContact NE2-CD 3.28Å; H501-Q530 PolarHBondContact NE2-NE2 2.81Å; H501-Q530 PolarHBondContact NE2-OE1 2.66Å; H501-P537 HydrophobicContact CB-CG 4.46Å; H501-V578 HydrophobicContact CB-CG1 3.74Å
502	D	73.7	Confident	75.2	Confident	58 Å²	58	62.6 Å²	62.6	31%	0.31	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-64.4	-26.4	179.1	65.2	-21.8	0	0	0	114.8	R500 L504 F507 R603	R500-D502 WeakPolarHBondContact CB-OD1 3.17Å; R500-D502 PolarHBondContact O-N 2.65Å; R500-D502 VanDerWaalsContact O-N 3.15Å; D502-L504 VanDerWaalsContact C-N 3.34Å; D502-F507 VanDerWaalsContact CA-CD1 3.43Å; D502-F507 HydrophobicContact CB-CD1 4.21Å; D502-F507 HydrophobicContact CB-CE1 4.07Å; D502-R603 PolarHBondContact O-NH1 3.48Å
503	V	81.3	Confident	74.3	Confident	96 Å²	96	62 Å²	62	58%	0.582	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-82.3	-10.5	175.1	-58.4	0	0	0	0	113.5	C499 R500 H501	C499-V503 HydrophobicContact CB-CG2 3.81Å; R500-V503 WeakPolarHBondContact O-CG2 3.47Å; R500-V503 PolarHBondContact O-N 3.12Å; H501-V503 VanDerWaalsContact C-N 3.27Å; H501-V503 PolarHBondContact O-N 2.83Å
504	L	85.2	Confident	73.7	Confident	3 Å²	3	67.4 Å²	67.4	2%	0.016	33%	0.328	C	S	.	.	S	Bend	trans	-69	134.1	-179.7	-60	173.6	0	0	0	110.2	H501 D502 Y506 F507 L528 V578 D579	H501-L504 HydrophobicContact CB-CD1 4.15Å; H501-L504 WeakPolarHBondContact O-CB 3.15Å; H501-L504 WeakPolarHBondContact O-CG 3.13Å; H501-L504 PolarHBondContact O-N 3.22Å; H501-L504 VanDerWaalsContact O-N 3.12Å; D502-L504 VanDerWaalsContact C-N 3.34Å; L504-Y506 HydrophobicContact CB-CE1 4.26Å; L504-Y506 HydrophobicContact CD1-CE2 4.31Å; L504-Y506 PolarHBondContact O-N 3.08Å; L504-F507 HydrophobicContact CB-CB 4.11Å; L504-F507 WeakPolarHBondContact O-CB 3.29Å; L504-F507 PolarHBondContact O-N 3.47Å; L504-F507 VanDerWaalsContact O-N 3.07Å; L504-L528 HydrophobicContact CD1-CD1 3.98Å; L504-V578 HydrophobicContact CD1-CG1 3.81Å; L504-D579 HydrophobicContact CD1-CB 3.96Å; L504-D579 HydrophobicContact CD2-CB 3.74Å
505	P	84.5	Confident	73.2	Confident	72 Å²	72	63.3 Å²	63.3	47%	0.468	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-9.8	-173.2	27.1	-34.9	0	0	0	113.8	L602 R603	P505-L602 HydrophobicContact CB-CD2 4.13Å; P505-L602 HydrophobicContact CG-CD2 4.24Å; P505-L602 CarbonylContact O-C 3.53Å; P505-L602 WeakPolarHBondContact O-CA 3.28Å; P505-R603 PolarHBondContact O-N 2.89Å
506	Y	87.3	Confident	73.1	Confident	5 Å²	5	63.8 Å²	63.8	2%	0.02	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	10	179.4	58.4	-95.8	0	0	0	113.5	L504 F508 F526 L528 D579 P600 I601	L504-Y506 HydrophobicContact CB-CE1 4.26Å; L504-Y506 HydrophobicContact CD1-CE2 4.31Å; L504-Y506 PolarHBondContact O-N 3.08Å; Y506-F508 WeakPolarHBondContact O-CD2 3.36Å; Y506-F526 HydrophobicContact CD2-CD2 4.37Å; Y506-F526 AromaticContact CD2-CE2 3.68Å; Y506-F526 HydrophobicContact CD2-CE2 3.68Å; Y506-F526 AromaticContact CE2-CE2 3.74Å; Y506-F526 HydrophobicContact CE2-CE2 3.74Å; Y506-F526 HydrophobicContact CG-CE2 4.25Å; Y506-L528 HydrophobicContact CD2-CB 4.49Å; Y506-L528 HydrophobicContact CD2-CD1 4.18Å; Y506-L528 HydrophobicContact CD2-CG 4.09Å; Y506-L528 HydrophobicContact CE2-CD1 3.52Å; Y506-L528 HydrophobicContact CE2-CG 3.82Å; Y506-L528 PolarHBondContact O-N 3.17Å; Y506-D579 WeakPolarHBondContact OH-CA 3.32Å; Y506-D579 PolarHBondContact OH-OD1 2.86Å; Y506-P600 HydrophobicContact CD1-CB 3.78Å; Y506-P600 HydrophobicContact CG-CB 3.77Å; Y506-I601 VanDerWaalsContact CA-O 3.26Å; Y506-I601 WeakPolarHBondContact CA-O 3.3Å; Y506-I601 VanDerWaalsContact CB-O 3.26Å; Y506-I601 WeakPolarHBondContact CB-O 3.37Å
507	F	88.2	Confident	73.4	Confident	5 Å²	5	64 Å²	64	2%	0.022	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	147.8	167.9	179.2	-105.7	0	0	0	109.8	H501 D502 L504 L528 Q530 R603	H501-F507 HydrophobicContact CB-CD2 4.38Å; H501-F507 AromaticContact CD2-CD2 3.91Å; H501-F507 AromaticContact CD2-CE1 3.99Å; H501-F507 AromaticContact CD2-CE2 3.36Å; H501-F507 WeakPolarHBondContact CD2-CE2 3.46Å; H501-F507 AromaticContact CD2-CZ 3.41Å; H501-F507 VanDerWaalsContact CD2-CZ 3.41Å; H501-F507 WeakPolarHBondContact CD2-CZ 3.47Å; H501-F507 AromaticContact NE2-CZ 3.97Å; H501-F507 WeakPolarHBondContact O-CB 3.35Å; H501-F507 VanDerWaalsContact O-CG 3.22Å; H501-F507 WeakPolarHBondContact O-CG 3.37Å; D502-F507 VanDerWaalsContact CA-CD1 3.43Å; D502-F507 HydrophobicContact CB-CD1 4.21Å; D502-F507 HydrophobicContact CB-CE1 4.07Å; L504-F507 HydrophobicContact CB-CB 4.11Å; L504-F507 WeakPolarHBondContact O-CB 3.29Å; L504-F507 PolarHBondContact O-N 3.47Å; L504-F507 VanDerWaalsContact O-N 3.07Å; F507-L528 CarbonylContact C-O 3.54Å; F507-L528 VanDerWaalsContact CA-O 3.3Å; F507-L528 WeakPolarHBondContact CA-O 3.41Å; F507-L528 HydrophobicContact CB-CB 4.42Å; F507-L528 HydrophobicContact CD2-CB 3.76Å; F507-Q530 HydrophobicContact CE2-CB 3.63Å; F507-Q530 HydrophobicContact CZ-CB 3.43Å; F507-Q530 VanDerWaalsContact CZ-CB 3.43Å; F507-Q530 HydrophobicContact CZ-CG 4.49Å; F507-R603 WeakPolarHBondContact O-CG 3.34Å; F507-R603 PolarHBondContact O-NE 3.29Å; F507-R603 PolarHBondContact O-NH2 3.37Å
508	F	85.1	Confident	74.2	Confident	20 Å²	20	70 Å²	70	9%	0.088	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	124	178.2	-73	-100.3	0	0	0	109.6	Y506 T510 M519 M527 L528 S529 I601 R603	Y506-F508 WeakPolarHBondContact O-CD2 3.36Å; F508-T510 VanDerWaalsContact C-N 3.28Å; F508-T510 WeakPolarHBondContact CB-OG1 3.48Å; F508-T510 PolarHBondContact O-N 3.48Å; F508-M519 HydrophobicContact CE1-CE 3.53Å; F508-M519 HydrophobicContact CE1-SD 4.04Å; F508-M519 HydrophobicContact CZ-CE 3.45Å; F508-M519 VanDerWaalsContact CZ-CE 3.45Å; F508-M519 HydrophobicContact CZ-SD 4.36Å; F508-M527 HydrophobicContact CD2-CB 3.83Å; F508-M527 HydrophobicContact CD2-SD 4.27Å; F508-M527 HydrophobicContact CE2-CB 4Å; F508-L528 PolarHBondContact N-O 2.92Å; F508-S529 VanDerWaalsContact O-CA 3.28Å; F508-S529 WeakPolarHBondContact O-CA 3.49Å; F508-I601 HydrophobicContact CE2-CG2 4.23Å; F508-I601 WeakPolarHBondContact CE2-O 3.42Å; F508-I601 HydrophobicContact CZ-CG2 4.06Å; F508-R603 HydrophobicContact CD1-CG 4.31Å; F508-R603 HydrophobicContact CE1-CG 3.92Å; F508-R603 HydrophobicContact CE2-CG 4.3Å; F508-R603 HydrophobicContact CZ-CB 4.42Å; F508-R603 HydrophobicContact CZ-CG 3.91Å
509	P	77.9	Confident	75.2	Confident	99 Å²	99	65.6 Å²	65.6	64%	0.643	33%	0.331	S	S	*	.			trans	-83	80.3	174.7	32.7	-22.3	0	0	0	106.8
510	T	67	Low	76.3	Confident	33 Å²	33	65.2 Å²	65.2	20%	0.202	33%	0.326	C	S	.	.			trans	-127.8	132.6	-176.6	2.9	0	0	0	0	111.6	F508 Q512	F508-T510 VanDerWaalsContact C-N 3.28Å; F508-T510 WeakPolarHBondContact CB-OG1 3.48Å; F508-T510 PolarHBondContact O-N 3.48Å; T510-Q512 PolarHBondContact O-N 2.95Å
511	Q	58.9	Low	77	Confident	165 Å²	165	62 Å²	62	77%	0.771	32%	0.318	S	S	*	.	S	Bend	trans	-68.8	-13.5	176.4	-71.2	179	-9.3	0	0	113.6	H531	Q511-H531 PolarHBondContact O-CE1 3.04Å; Q511-H531 PolarHBondContact O-ND1 2.91Å
512	Q	61	Low	77.4	Confident	128 Å²	128	64.1 Å²	64.1	60%	0.598	33%	0.325	S	S	*	.			trans	-149.4	121.7	175.1	-67.2	-173.8	-11.6	0	0	113.1	T510 Y514 S515	T510-Q512 PolarHBondContact O-N 2.95Å; Q512-Y514 PolarHBondContact O-N 3.16Å; Q512-S515 WeakPolarHBondContact O-CB 3.3Å; Q512-S515 PolarHBondContact O-N 3.38Å; Q512-S515 VanDerWaalsContact O-N 3.15Å; Q512-S515 PolarHBondContact O-OG 2.66Å
513	P	60.2	Low	78.1	Confident	9 Å²	9	64.4 Å²	64.4	6%	0.058	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-55.9	-34.6	176.1	-26.6	34.9	0	0	0	113.9	S515 C516 A517 V549	P513-S515 PolarHBondContact O-N 3.24Å; P513-C516 PolarHBondContact O-N 3.13Å; P513-A517 PolarHBondContact O-N 2.9Å; P513-V549 HydrophobicContact CB-CG2 3.86Å; P513-V549 HydrophobicContact CG-CG1 4.23Å; P513-V549 HydrophobicContact CG-CG2 3.94Å
514	Y	65.3	Low	78.5	Confident	167 Å²	167	60 Å²	60	66%	0.655	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-64	-26.5	-179.2	-61.3	-74.2	0	0	0	113.5	Q512 C516 A517	Q512-Y514 PolarHBondContact O-N 3.16Å; Y514-C516 PolarHBondContact O-N 3.45Å; Y514-A517 VanDerWaalsContact O-CB 3.29Å; Y514-A517 WeakPolarHBondContact O-CB 3.26Å; Y514-A517 PolarHBondContact O-N 3.36Å; Y514-A517 VanDerWaalsContact O-N 3.12Å
515	S	67.8	Low	78.8	Confident	59 Å²	59	60.5 Å²	60.5	41%	0.413	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-62.8	-25.4	174.7	68.3	0	0	0	0	112.2	Q512 P513 Y518	Q512-S515 WeakPolarHBondContact O-CB 3.3Å; Q512-S515 PolarHBondContact O-N 3.38Å; Q512-S515 VanDerWaalsContact O-N 3.15Å; Q512-S515 PolarHBondContact O-OG 2.66Å; P513-S515 PolarHBondContact O-N 3.24Å; S515-Y518 WeakPolarHBondContact O-CD1 3.32Å; S515-Y518 WeakPolarHBondContact O-CE1 3.3Å
516	C	74.1	Confident	79.2	Confident	10 Å²	10	57.2 Å²	57.2	7%	0.068	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-103.6	9.6	178.7	-62.8	0	0	0	0	112.7	P513 Y514 Y518 M519 M527	P513-C516 PolarHBondContact O-N 3.13Å; Y514-C516 PolarHBondContact O-N 3.45Å; C516-Y518 PolarHBondContact O-N 3.14Å; C516-Y518 VanDerWaalsContact O-N 3.12Å; C516-M519 HydrophobicContact CB-CG 4.24Å; C516-M519 HydrophobicContact CB-SD 3.77Å; C516-M519 WeakPolarHBondContact O-CA 3.32Å; C516-M519 WeakPolarHBondContact O-CB 3.37Å; C516-M519 WeakPolarHBondContact O-CG 3.45Å; C516-M519 PolarHBondContact O-N 2.94Å; C516-M527 HydrophobicContact CB-CE 3.76Å; C516-M527 HydrophobicContact CB-SD 4Å
517	A	78.6	Confident	79.4	Confident	41 Å²	41	57 Å²	57	34%	0.339	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-55.9	-34.3	-176.8	0	0	0	0	0	112.9	P513 Y514 M519 F520	P513-A517 PolarHBondContact O-N 2.9Å; Y514-A517 VanDerWaalsContact O-CB 3.29Å; Y514-A517 WeakPolarHBondContact O-CB 3.26Å; Y514-A517 PolarHBondContact O-N 3.36Å; Y514-A517 VanDerWaalsContact O-N 3.12Å; A517-M519 PolarHBondContact O-N 2.83Å; A517-M519 VanDerWaalsContact O-N 3.12Å; A517-F520 PolarHBondContact O-N 2.82Å
518	Y	83	Confident	79.5	Confident	155 Å²	155	56.7 Å²	56.7	61%	0.608	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-65.1	-11.9	175.7	71.9	-92.5	0	0	0	114.1	S515 C516	S515-Y518 WeakPolarHBondContact O-CD1 3.32Å; S515-Y518 WeakPolarHBondContact O-CE1 3.3Å; C516-Y518 PolarHBondContact O-N 3.14Å; C516-Y518 VanDerWaalsContact O-N 3.12Å
519	M	85.7	Confident	79.7	Confident	13 Å²	13	55.8 Å²	55.8	6%	0.064	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-81.6	-26.7	179.7	-59	-176.5	62.4	0	0	112.1	F508 C516 A517 M527 I601 K606	F508-M519 HydrophobicContact CE1-CE 3.53Å; F508-M519 HydrophobicContact CE1-SD 4.04Å; F508-M519 HydrophobicContact CZ-CE 3.45Å; F508-M519 VanDerWaalsContact CZ-CE 3.45Å; F508-M519 HydrophobicContact CZ-SD 4.36Å; C516-M519 HydrophobicContact CB-CG 4.24Å; C516-M519 HydrophobicContact CB-SD 3.77Å; C516-M519 WeakPolarHBondContact O-CA 3.32Å; C516-M519 WeakPolarHBondContact O-CB 3.37Å; C516-M519 WeakPolarHBondContact O-CG 3.45Å; C516-M519 PolarHBondContact O-N 2.94Å; A517-M519 PolarHBondContact O-N 2.83Å; A517-M519 VanDerWaalsContact O-N 3.12Å; M519-M527 HydrophobicContact CB-CE 4.3Å; M519-I601 HydrophobicContact CB-CD1 4.4Å; M519-I601 HydrophobicContact CB-CG2 3.97Å; M519-I601 HydrophobicContact CE-CG2 3.57Å; M519-K606 PolarHBondContact O-NZ 2.62Å
520	F	88.7	Confident	80	Confident	17 Å²	17	52.2 Å²	52.2	8%	0.075	25%	0.25	C	S	.	.			trans	-77.9	118.1	176.8	-59	-99.4	0	0	0	109.9	A517 D525 M527 L542 V547 I601	A517-F520 PolarHBondContact O-N 2.82Å; F520-D525 HydrophobicContact CD1-CB 4.12Å; F520-D525 WeakPolarHBondContact CD1-O 3.24Å; F520-M527 HydrophobicContact CD2-CE 4.03Å; F520-M527 HydrophobicContact CE1-CE 4.2Å; F520-M527 HydrophobicContact CE1-CG 4.38Å; F520-M527 HydrophobicContact CE2-CE 3.25Å; F520-M527 HydrophobicContact CE2-SD 3.97Å; F520-M527 HydrophobicContact CZ-CE 3.37Å; F520-M527 HydrophobicContact CZ-CG 3.73Å; F520-M527 HydrophobicContact CZ-SD 3.78Å; F520-L542 HydrophobicContact CB-CB 3.87Å; F520-L542 HydrophobicContact CB-CD1 4.4Å; F520-L542 HydrophobicContact CB-CD2 3.68Å; F520-L542 HydrophobicContact CB-CG 4.19Å; F520-L542 HydrophobicContact CD1-CB 3.66Å; F520-L542 HydrophobicContact CG-CB 4.12Å; F520-V547 HydrophobicContact CB-CG2 4.36Å; F520-V547 HydrophobicContact CD1-CG2 4.25Å; F520-V547 HydrophobicContact CD2-CG1 4.45Å; F520-V547 HydrophobicContact CD2-CG2 3.62Å; F520-V547 HydrophobicContact CE1-CG1 4.05Å; F520-V547 HydrophobicContact CE1-CG2 4.42Å; F520-V547 HydrophobicContact CE2-CB 4.49Å; F520-V547 HydrophobicContact CE2-CG1 3.81Å; F520-V547 HydrophobicContact CE2-CG2 3.81Å; F520-V547 HydrophobicContact CG-CG2 3.84Å; F520-V547 HydrophobicContact CZ-CG1 3.57Å; F520-V547 HydrophobicContact CZ-CG2 4.2Å; F520-I601 HydrophobicContact CB-CD1 4.32Å; F520-I601 HydrophobicContact CD1-CD1 3.41Å; F520-I601 VanDerWaalsContact CD1-CD1 3.41Å; F520-I601 HydrophobicContact CD2-CD1 4.05Å; F520-I601 HydrophobicContact CE1-CD1 3.65Å; F520-I601 HydrophobicContact CE2-CD1 4.26Å; F520-I601 HydrophobicContact CG-CD1 3.64Å; F520-I601 HydrophobicContact CZ-CD1 4.08Å
521	E	86.6	Confident	80.6	Confident	107 Å²	107	55.1 Å²	55.1	50%	0.5	26%	0.261	S	S	.	.			trans	-107.8	-28.2	-176.6	-67.3	-177.3	-178.9	0	0	112	D525 K606 R609	E521-D525 PolarHBondContact N-OD2 3.45Å; E521-K606 WeakPolarHBondContact OE1-CE 3.09Å; E521-K606 IonicContact OE1-NZ 3.68Å; E521-K606 PolarHBondContact OE1-NZ 2.94Å; E521-R609 IonicContact OE1-NH1 3.88Å; E521-R609 PolarHBondContact OE1-NH1 3.12Å
522	R	86.2	Confident	81.4	Confident	84 Å²	84	50.2 Å²	50.2	32%	0.317	25%	0.245	S	C	.	.	S	Bend	trans	-144.4	149.4	-169.1	-63.1	175.3	-177.1	-168.4	-3.9	111.1	E384 G524 D525 L542 R599	E384-R522 IonicContact OE1-CZ 3.83Å; E384-R522 IonicContact OE1-NH1 3.4Å; E384-R522 IonicContact OE1-NH2 3.18Å; E384-R522 PolarHBondContact OE1-NH2 3.41Å; E384-R522 IonicContact OE2-NH2 3.68Å; R522-G524 PolarHBondContact O-N 3.12Å; R522-D525 PolarHBondContact N-OD2 2.48Å; R522-D525 WeakPolarHBondContact O-CB 3.29Å; R522-D525 PolarHBondContact O-N 2.72Å; R522-L542 VanDerWaalsContact C-CD2 3.48Å; R522-L542 WeakPolarHBondContact O-CD2 3.37Å; R522-R599 VanDerWaalsContact CD-CZ 3.48Å
523	D	88	Confident	82.1	Confident	65 Å²	65	52.1 Å²	52.1	35%	0.348	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	136	175.6	-77.6	-10.4	0	0	0	111.7	D525 L542 K544 G545 R599	D523-D525 VanDerWaalsContact C-N 3.3Å; D523-L542 WeakPolarHBondContact CA-O 3.39Å; D523-K544 PolarHBondContact OD1-N 3.41Å; D523-K544 PolarHBondContact OD2-N 2.94Å; D523-G545 PolarHBondContact OD1-N 2.97Å; D523-R599 PolarHBondContact O-NH2 2.85Å; D523-R599 VanDerWaalsContact O-NH2 3.1Å
524	G	89.2	Confident	82.9	Confident	4 Å²	4	59.3 Å²	59.3	4%	0.041	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-1.8	-174.3	0	0	0	0	0	114.5	R522 F526 L542 R598 R599	R522-G524 PolarHBondContact O-N 3.12Å; G524-F526 PolarHBondContact O-N 2.79Å; G524-L542 PolarHBondContact N-O 3.32Å; G524-R598 PolarHBondContact O-N 3.23Å; G524-R599 PolarHBondContact O-N 2.58Å; G524-R599 VanDerWaalsContact O-N 3.13Å
525	D	91.1	Very high	83.7	Confident	12 Å²	12	52.9 Å²	52.9	6%	0.064	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	134.9	166.3	-68.6	-2.3	0	0	0	108.8	F520 E521 R522 D523 V541 L542 R599 I601	F520-D525 HydrophobicContact CD1-CB 4.12Å; F520-D525 WeakPolarHBondContact CD1-O 3.24Å; E521-D525 PolarHBondContact N-OD2 3.45Å; R522-D525 PolarHBondContact N-OD2 2.48Å; R522-D525 WeakPolarHBondContact O-CB 3.29Å; R522-D525 PolarHBondContact O-N 2.72Å; D523-D525 VanDerWaalsContact C-N 3.3Å; D525-V541 WeakPolarHBondContact O-CA 3.29Å; D525-L542 PolarHBondContact O-N 3.49Å; D525-R599 CarbonylContact C-O 3.54Å; D525-R599 WeakPolarHBondContact CA-O 3.43Å; D525-R599 IonicContact OD1-CZ 3.77Å; D525-R599 VanDerWaalsContact OD1-CZ 3.26Å; D525-R599 IonicContact OD1-NE 2.86Å; D525-R599 PolarHBondContact OD1-NE 2.83Å; D525-R599 IonicContact OD1-NH2 3.81Å; D525-R599 PolarHBondContact OD1-NH2 3.5Å; D525-I601 HydrophobicContact CB-CD1 4.1Å; D525-I601 HydrophobicContact CB-CG1 4.13Å
526	F	92.7	Very high	84.5	Confident	3 Å²	3	52.8 Å²	52.8	1%	0.013	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	157.7	-176.5	75.2	-88.4	0	0	0	113.3	Y506 G524 L539 S540 V541 V582 I586 P597 R599 P600 I601	Y506-F526 HydrophobicContact CD2-CD2 4.37Å; Y506-F526 AromaticContact CD2-CE2 3.68Å; Y506-F526 HydrophobicContact CD2-CE2 3.68Å; Y506-F526 AromaticContact CE2-CE2 3.74Å; Y506-F526 HydrophobicContact CE2-CE2 3.74Å; Y506-F526 HydrophobicContact CG-CE2 4.25Å; G524-F526 PolarHBondContact O-N 2.79Å; F526-L539 HydrophobicContact CB-CD1 4.18Å; F526-L539 HydrophobicContact CD2-CD1 3.91Å; F526-L539 HydrophobicContact CG-CD1 4.39Å; F526-S540 CarbonylContact C-O 3.55Å; F526-S540 WeakPolarHBondContact CA-O 3.08Å; F526-S540 WeakPolarHBondContact CB-O 3.18Å; F526-V541 HydrophobicContact CB-CG2 4.04Å; F526-V582 HydrophobicContact CD2-CG1 4.24Å; F526-V582 HydrophobicContact CE2-CG1 3.66Å; F526-V582 HydrophobicContact CZ-CG1 3.92Å; F526-I586 HydrophobicContact CD1-CD1 4.44Å; F526-I586 HydrophobicContact CE1-CD1 3.46Å; F526-I586 VanDerWaalsContact CE1-CD1 3.46Å; F526-I586 HydrophobicContact CE1-CG1 4.48Å; F526-I586 HydrophobicContact CZ-CD1 3.55Å; F526-P597 HydrophobicContact CB-CB 3.9Å; F526-P597 HydrophobicContact CD1-CB 3.51Å; F526-P597 HydrophobicContact CD2-CB 4.34Å; F526-P597 HydrophobicContact CE1-CB 4.07Å; F526-P597 HydrophobicContact CG-CB 3.66Å; F526-R599 WeakPolarHBondContact CD1-O 3.41Å; F526-R599 PolarHBondContact N-O 3.16Å; F526-P600 HydrophobicContact CE1-CB 3.97Å; F526-P600 HydrophobicContact CE1-CG 4.41Å; F526-P600 HydrophobicContact CE2-CB 4.11Å; F526-P600 HydrophobicContact CZ-CB 3.59Å; F526-P600 HydrophobicContact CZ-CG 4.25Å; F526-I601 WeakPolarHBondContact O-CB 3.34Å; F526-I601 WeakPolarHBondContact O-CG1 3.5Å; F526-I601 PolarHBondContact O-N 3.35Å
527	M	91.6	Very high	85.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	153.7	168.7	65	-180	61.2	0	0	110	F508 C516 M519 F520 S540 I601	F508-M527 HydrophobicContact CD2-CB 3.83Å; F508-M527 HydrophobicContact CD2-SD 4.27Å; F508-M527 HydrophobicContact CE2-CB 4Å; C516-M527 HydrophobicContact CB-CE 3.76Å; C516-M527 HydrophobicContact CB-SD 4Å; M519-M527 HydrophobicContact CB-CE 4.3Å; F520-M527 HydrophobicContact CD2-CE 4.03Å; F520-M527 HydrophobicContact CE1-CE 4.2Å; F520-M527 HydrophobicContact CE1-CG 4.38Å; F520-M527 HydrophobicContact CE2-CE 3.25Å; F520-M527 HydrophobicContact CE2-SD 3.97Å; F520-M527 HydrophobicContact CZ-CE 3.37Å; F520-M527 HydrophobicContact CZ-CG 3.73Å; F520-M527 HydrophobicContact CZ-SD 3.78Å; M527-S540 PolarHBondContact N-O 3.21Å; M527-S540 PolarHBondContact O-N 3.33Å; M527-I601 HydrophobicContact CB-CB 4.47Å; M527-I601 HydrophobicContact CE-CB 4.46Å; M527-I601 HydrophobicContact CE-CD1 3.62Å; M527-I601 HydrophobicContact CE-CG2 4.27Å
528	L	91.3	Very high	85.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	141.5	166	-68.6	177.5	0	0	0	109	L504 Y506 F507 F508 S538 L539 L552 V578 V582	L504-L528 HydrophobicContact CD1-CD1 3.98Å; Y506-L528 HydrophobicContact CD2-CB 4.49Å; Y506-L528 HydrophobicContact CD2-CD1 4.18Å; Y506-L528 HydrophobicContact CD2-CG 4.09Å; Y506-L528 HydrophobicContact CE2-CD1 3.52Å; Y506-L528 HydrophobicContact CE2-CG 3.82Å; Y506-L528 PolarHBondContact O-N 3.17Å; F507-L528 CarbonylContact C-O 3.54Å; F507-L528 VanDerWaalsContact CA-O 3.3Å; F507-L528 WeakPolarHBondContact CA-O 3.41Å; F507-L528 HydrophobicContact CB-CB 4.42Å; F507-L528 HydrophobicContact CD2-CB 3.76Å; F508-L528 PolarHBondContact N-O 2.92Å; L528-S538 WeakPolarHBondContact CA-O 3.35Å; L528-L539 HydrophobicContact CD2-CB 4.16Å; L528-L539 HydrophobicContact CD2-CD1 3.83Å; L528-L552 HydrophobicContact CD2-CD1 4.3Å; L528-V578 HydrophobicContact CD1-CG1 3.83Å; L528-V578 HydrophobicContact CD1-CG2 3.87Å; L528-V578 HydrophobicContact CD2-CG2 4.2Å; L528-V582 HydrophobicContact CD2-CG2 4.35Å
529	S	88.4	Confident	86.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154.8	174.6	55.5	0	0	0	0	111	F508 P537 S538	F508-S529 VanDerWaalsContact O-CA 3.28Å; F508-S529 WeakPolarHBondContact O-CA 3.49Å; S529-P537 CarbonylContact O-C 3.34Å; S529-P537 WeakPolarHBondContact O-CA 3.42Å; S529-S538 PolarHBondContact N-O 3.21Å; S529-S538 PolarHBondContact O-N 3.31Å
530	Q	85.4	Confident	86.7	Confident	25 Å²	25	42.7 Å²	42.7	12%	0.117	22%	0.216	C	C	.	.			trans	-137.1	135.2	177.7	-162.9	-169.9	11.5	0	0	108.6	H501 F507 S532 E533 S535	H501-Q530 VanDerWaalsContact NE2-CD 3.28Å; H501-Q530 PolarHBondContact NE2-NE2 2.81Å; H501-Q530 PolarHBondContact NE2-OE1 2.66Å; F507-Q530 HydrophobicContact CE2-CB 3.63Å; F507-Q530 HydrophobicContact CZ-CB 3.43Å; F507-Q530 VanDerWaalsContact CZ-CB 3.43Å; F507-Q530 HydrophobicContact CZ-CG 4.49Å; Q530-S532 WeakPolarHBondContact CG-O 3.29Å; Q530-S532 PolarHBondContact NE2-O 2.8Å; Q530-S532 VanDerWaalsContact NE2-O 3.14Å; Q530-E533 PolarHBondContact NE2-O 3.14Å; Q530-S535 WeakPolarHBondContact CG-O 3.4Å; Q530-S535 VanDerWaalsContact CG-OG 3.28Å; Q530-S535 WeakPolarHBondContact CG-OG 3.5Å; Q530-S535 PolarHBondContact NE2-O 3.41Å
531	H	78.1	Confident	86.9	Confident	94 Å²	94	41.9 Å²	41.9	44%	0.435	21%	0.213	S	C	.	.	S	Bend	trans	-81.2	-38.7	-174.3	-78.5	-65.8	0	0	0	112.7	Q511 S535	Q511-H531 PolarHBondContact O-CE1 3.04Å; Q511-H531 PolarHBondContact O-ND1 2.91Å; H531-S535 PolarHBondContact N-OG 3.02Å
532	S	76.7	Confident	87.2	Confident	61 Å²	61	37.5 Å²	37.5	43%	0.427	19%	0.193	S	C	.	.	S	Bend	trans	-140.5	159	173.9	62.9	0	0	0	0	110.5	Q530 D534 S535	Q530-S532 WeakPolarHBondContact CG-O 3.29Å; Q530-S532 PolarHBondContact NE2-O 2.8Å; Q530-S532 VanDerWaalsContact NE2-O 3.14Å; S532-D534 PolarHBondContact O-N 2.86Å; S532-D534 VanDerWaalsContact O-N 3.11Å; S532-S535 PolarHBondContact N-OG 2.9Å; S532-S535 PolarHBondContact O-N 3.17Å; S532-S535 PolarHBondContact O-OG 3.09Å; S532-S535 WeakPolarHBondContact OG-CB 3.25Å; S532-S535 PolarHBondContact OG-N 2.9Å; S532-S535 PolarHBondContact OG-OG 3.47Å
533	E	74.6	Confident	87.4	Confident	168 Å²	168	34.3 Å²	34.3	79%	0.785	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.7	179.7	-66	-170.4	166.1	0	0	113.1	Q530	Q530-E533 PolarHBondContact NE2-O 3.14Å
534	D	77.4	Confident	87.3	Confident	161 Å²	161	37.7 Å²	37.7	86%	0.861	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-11.4	178.9	-54.2	-47.6	0	0	0	114.1	S532	S532-D534 PolarHBondContact O-N 2.86Å; S532-D534 VanDerWaalsContact O-N 3.11Å
535	S	82	Confident	87.2	Confident	32 Å²	32	40.7 Å²	40.7	22%	0.224	23%	0.225	C	C	.	.	S	Bend	trans	-81.6	148.2	-177.9	64.4	0	0	0	0	112	Q530 H531 S532	Q530-S535 WeakPolarHBondContact CG-O 3.4Å; Q530-S535 VanDerWaalsContact CG-OG 3.28Å; Q530-S535 WeakPolarHBondContact CG-OG 3.5Å; Q530-S535 PolarHBondContact NE2-O 3.41Å; H531-S535 PolarHBondContact N-OG 3.02Å; S532-S535 PolarHBondContact N-OG 2.9Å; S532-S535 PolarHBondContact O-N 3.17Å; S532-S535 PolarHBondContact O-OG 3.09Å; S532-S535 WeakPolarHBondContact OG-CB 3.25Å; S532-S535 PolarHBondContact OG-N 2.9Å; S532-S535 PolarHBondContact OG-OG 3.47Å
536	I	85.3	Confident	87.2	Confident	56 Å²	56	45.9 Å²	45.9	29%	0.287	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-70.9	139.1	175.8	-62.7	171.1	0	0	0	109.3	S538 L552 E556	I536-S538 PolarHBondContact O-N 2.71Å; I536-L552 HydrophobicContact CG2-CB 4.13Å; I536-E556 HydrophobicContact CD1-CB 4.46Å; I536-E556 VanDerWaalsContact CD1-OE2 3.26Å; I536-E556 WeakPolarHBondContact CD1-OE2 3.45Å; I536-E556 HydrophobicContact CG2-CB 4.34Å; I536-E556 HydrophobicContact CG2-CG 4.47Å
537	P	89.4	Confident	87.1	Confident	4 Å²	4	46.7 Å²	46.7	3%	0.026	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-54.7	141.8	177.1	-26.8	35	0	0	0	112.8	H501 S529 L552	H501-P537 HydrophobicContact CB-CG 4.46Å; S529-P537 CarbonylContact O-C 3.34Å; S529-P537 WeakPolarHBondContact O-CA 3.42Å; P537-L552 WeakPolarHBondContact O-CB 3.47Å; P537-L552 WeakPolarHBondContact O-CG 3.49Å; P537-L552 PolarHBondContact O-N 2.9Å
538	S	91.8	Very high	87.2	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	140.7	171.5	-61.6	0	0	0	0	110.6	L528 S529 I536 V550	L528-S538 WeakPolarHBondContact CA-O 3.35Å; S529-S538 PolarHBondContact N-O 3.21Å; S529-S538 PolarHBondContact O-N 3.31Å; I536-S538 PolarHBondContact O-N 2.71Å; S538-V550 CarbonylContact C-O 3.57Å; S538-V550 VanDerWaalsContact CA-O 3.3Å; S538-V550 WeakPolarHBondContact CA-O 3.29Å
539	L	93.3	Very high	87.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122	173.5	177.8	68	0	0	0	109.4	F526 L528 V541 V549 V550 L552 I592 P597	F526-L539 HydrophobicContact CB-CD1 4.18Å; F526-L539 HydrophobicContact CD2-CD1 3.91Å; F526-L539 HydrophobicContact CG-CD1 4.39Å; L528-L539 HydrophobicContact CD2-CB 4.16Å; L528-L539 HydrophobicContact CD2-CD1 3.83Å; L539-V541 HydrophobicContact CD1-CG2 4.23Å; L539-V541 HydrophobicContact CD2-CG2 4Å; L539-V541 HydrophobicContact CG-CG2 3.79Å; L539-V549 WeakPolarHBondContact O-CA 3.42Å; L539-V550 HydrophobicContact CB-CG2 3.96Å; L539-V550 HydrophobicContact CD2-CG2 4.49Å; L539-V550 PolarHBondContact N-O 3.49Å; L539-V550 PolarHBondContact O-N 3.12Å; L539-L552 HydrophobicContact CB-CD2 4.07Å; L539-L552 HydrophobicContact CB-CG 4.46Å; L539-I592 HydrophobicContact CD2-CB 4.25Å; L539-I592 HydrophobicContact CD2-CD1 3.73Å; L539-I592 HydrophobicContact CD2-CG2 4.06Å; L539-P597 HydrophobicContact CD2-CG 4.43Å
540	S	92.8	Very high	87.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.7	173.4	-59.3	0	0	0	0	110.1	F526 M527 K548	F526-S540 CarbonylContact C-O 3.55Å; F526-S540 WeakPolarHBondContact CA-O 3.08Å; F526-S540 WeakPolarHBondContact CB-O 3.18Å; M527-S540 PolarHBondContact N-O 3.21Å; M527-S540 PolarHBondContact O-N 3.33Å; S540-K548 CarbonylContact C-O 3.53Å; S540-K548 VanDerWaalsContact CA-O 3.29Å; S540-K548 WeakPolarHBondContact CA-O 3.45Å
541	V	93.5	Very high	87.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.8	-178.3	-169.8	0	0	0	0	110.8	D525 F526 L539 V543 K548 L595 P597	D525-V541 WeakPolarHBondContact O-CA 3.29Å; F526-V541 HydrophobicContact CB-CG2 4.04Å; L539-V541 HydrophobicContact CD1-CG2 4.23Å; L539-V541 HydrophobicContact CD2-CG2 4Å; L539-V541 HydrophobicContact CG-CG2 3.79Å; V541-V543 HydrophobicContact CB-CG2 4.46Å; V541-V543 HydrophobicContact CG1-CG2 4.12Å; V541-K548 PolarHBondContact N-O 3.12Å; V541-K548 PolarHBondContact O-N 2.83Å; V541-L595 HydrophobicContact CB-CB 4.41Å; V541-L595 HydrophobicContact CB-CD1 4.27Å; V541-L595 HydrophobicContact CG2-CB 4.16Å; V541-L595 HydrophobicContact CG2-CD1 4.07Å; V541-P597 HydrophobicContact CG2-CB 4.44Å
542	L	92.5	Very high	88.3	Confident	15 Å²	15	55.2 Å²	55.2	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	122.9	171.9	-179.4	62.3	0	0	0	110.8	F520 R522 D523 G524 D525 V547	F520-L542 HydrophobicContact CB-CB 3.87Å; F520-L542 HydrophobicContact CB-CD1 4.4Å; F520-L542 HydrophobicContact CB-CD2 3.68Å; F520-L542 HydrophobicContact CB-CG 4.19Å; F520-L542 HydrophobicContact CD1-CB 3.66Å; F520-L542 HydrophobicContact CG-CB 4.12Å; R522-L542 VanDerWaalsContact C-CD2 3.48Å; R522-L542 WeakPolarHBondContact O-CD2 3.37Å; D523-L542 WeakPolarHBondContact CA-O 3.39Å; G524-L542 PolarHBondContact N-O 3.32Å; D525-L542 PolarHBondContact O-N 3.49Å; L542-V547 HydrophobicContact CD1-CG2 4.16Å
543	V	89.9	Confident	88.9	Confident	18 Å²	18	54.7 Å²	54.7	11%	0.109	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	116.1	-179.8	-176.5	0	0	0	0	110.2	N334 V541 G545 E546 K548 L595	N334-V543 WeakPolarHBondContact ND2-CG1 3.24Å; V541-V543 HydrophobicContact CB-CG2 4.46Å; V541-V543 HydrophobicContact CG1-CG2 4.12Å; V543-G545 PolarHBondContact O-N 2.87Å; V543-E546 PolarHBondContact N-O 2.82Å; V543-E546 PolarHBondContact O-N 3.16Å; V543-E546 VanDerWaalsContact O-N 3.08Å; V543-K548 HydrophobicContact CB-CD 4.45Å; V543-L595 HydrophobicContact CG2-CD2 3.94Å
544	K	87.2	Confident	89.7	Confident	136 Å²	136	50.5 Å²	50.5	59%	0.591	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	37.7	178	-62.1	176.4	178	168.3	0	112.6	D523 E546	D523-K544 PolarHBondContact OD1-N 3.41Å; D523-K544 PolarHBondContact OD2-N 2.94Å; K544-E546 VanDerWaalsContact C-N 3.33Å
545	G	86.7	Confident	90.4	Very high	66 Å²	66	44 Å²	44	68%	0.68	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.1	-0.5	-179.6	0	0	0	0	0	115.6	D523 V543	D523-G545 PolarHBondContact OD1-N 2.97Å; V543-G545 PolarHBondContact O-N 2.87Å
546	E	90.9	Very high	90.8	Very high	122 Å²	122	44.8 Å²	44.8	57%	0.57	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114	134.7	177	-172.5	-177.1	-171.5	0	0	110.9	V543 K544 K548	V543-E546 PolarHBondContact N-O 2.82Å; V543-E546 PolarHBondContact O-N 3.16Å; V543-E546 VanDerWaalsContact O-N 3.08Å; K544-E546 VanDerWaalsContact C-N 3.33Å; E546-K548 PolarHBondContact O-N 3.12Å
547	V	91.3	Very high	91	Very high	20 Å²	20	50 Å²	50	12%	0.121	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	113.7	174.3	-179.6	0	0	0	0	108.6	F520 L542 V549	F520-V547 HydrophobicContact CB-CG2 4.36Å; F520-V547 HydrophobicContact CD1-CG2 4.25Å; F520-V547 HydrophobicContact CD2-CG1 4.45Å; F520-V547 HydrophobicContact CD2-CG2 3.62Å; F520-V547 HydrophobicContact CE1-CG1 4.05Å; F520-V547 HydrophobicContact CE1-CG2 4.42Å; F520-V547 HydrophobicContact CE2-CB 4.49Å; F520-V547 HydrophobicContact CE2-CG1 3.81Å; F520-V547 HydrophobicContact CE2-CG2 3.81Å; F520-V547 HydrophobicContact CG-CG2 3.84Å; F520-V547 HydrophobicContact CZ-CG1 3.57Å; F520-V547 HydrophobicContact CZ-CG2 4.2Å; L542-V547 HydrophobicContact CD1-CG2 4.16Å; V547-V549 HydrophobicContact CG1-CG2 4.44Å
548	K	92.3	Very high	90.8	Very high	94 Å²	94	56.3 Å²	56.3	41%	0.409	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	136.9	175	-64.7	-165.3	170.6	-158	0	110.1	S540 V541 V543 E546 L595	S540-K548 CarbonylContact C-O 3.53Å; S540-K548 VanDerWaalsContact CA-O 3.29Å; S540-K548 WeakPolarHBondContact CA-O 3.45Å; V541-K548 PolarHBondContact N-O 3.12Å; V541-K548 PolarHBondContact O-N 2.83Å; V543-K548 HydrophobicContact CB-CD 4.45Å; E546-K548 PolarHBondContact O-N 3.12Å; K548-L595 HydrophobicContact CB-CD1 4.15Å; K548-L595 HydrophobicContact CB-CD2 3.88Å; K548-L595 HydrophobicContact CD-CD2 3.72Å; K548-L595 HydrophobicContact CG-CD2 4.36Å
549	V	90.8	Very high	90.4	Very high	52 Å²	52	58 Å²	58	32%	0.315	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.1	-178.3	-171.9	0	0	0	0	108.5	P513 L539 V547	P513-V549 HydrophobicContact CB-CG2 3.86Å; P513-V549 HydrophobicContact CG-CG1 4.23Å; P513-V549 HydrophobicContact CG-CG2 3.94Å; L539-V549 WeakPolarHBondContact O-CA 3.42Å; V547-V549 HydrophobicContact CG1-CG2 4.44Å
550	V	91.6	Very high	90.2	Very high	30 Å²	30	61.3 Å²	61.3	18%	0.182	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.8	176.9	-66.6	0	0	0	0	109.6	S538 L539 F593 L595	S538-V550 CarbonylContact C-O 3.57Å; S538-V550 VanDerWaalsContact CA-O 3.3Å; S538-V550 WeakPolarHBondContact CA-O 3.29Å; L539-V550 HydrophobicContact CB-CG2 3.96Å; L539-V550 HydrophobicContact CD2-CG2 4.49Å; L539-V550 PolarHBondContact N-O 3.49Å; L539-V550 PolarHBondContact O-N 3.12Å; V550-F593 HydrophobicContact CB-CD2 3.89Å; V550-F593 HydrophobicContact CG1-CB 4.26Å; V550-F593 HydrophobicContact CG1-CD2 4.31Å; V550-F593 HydrophobicContact CG2-CD2 3.84Å; V550-F593 HydrophobicContact CG2-CE2 4.49Å; V550-L595 HydrophobicContact CB-CD1 4.43Å; V550-L595 HydrophobicContact CG1-CD1 3.74Å; V550-L595 HydrophobicContact CG2-CD1 3.8Å
551	E	91.5	Very high	90.2	Very high	121 Å²	121	62 Å²	62	57%	0.565	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	137.2	171.6	-67.4	-175.6	179.1	0	0	109.8	S553	E551-S553 PolarHBondContact O-N 2.87Å
552	L	92.9	Very high	90.3	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-85.2	6.2	179.1	-57.8	-177.2	0	0	0	113.1	L528 I536 P537 L539 S554 V555 E556 Y561 V578 F581 I592 F593	L528-L552 HydrophobicContact CD2-CD1 4.3Å; I536-L552 HydrophobicContact CG2-CB 4.13Å; P537-L552 WeakPolarHBondContact O-CB 3.47Å; P537-L552 WeakPolarHBondContact O-CG 3.49Å; P537-L552 PolarHBondContact O-N 2.9Å; L539-L552 HydrophobicContact CB-CD2 4.07Å; L539-L552 HydrophobicContact CB-CG 4.46Å; L552-S554 VanDerWaalsContact C-N 3.26Å; L552-S554 PolarHBondContact O-N 3.19Å; L552-V555 HydrophobicContact CB-CG2 4.24Å; L552-V555 WeakPolarHBondContact O-CG2 3.38Å; L552-V555 PolarHBondContact O-N 3.21Å; L552-V555 VanDerWaalsContact O-N 3.13Å; L552-E556 WeakPolarHBondContact O-CB 3.18Å; L552-E556 PolarHBondContact O-N 3.3Å; L552-E556 VanDerWaalsContact O-N 3.16Å; L552-Y561 HydrophobicContact CB-CE1 4.02Å; L552-Y561 HydrophobicContact CD1-CE1 4.14Å; L552-V578 HydrophobicContact CD1-CG2 3.46Å; L552-V578 VanDerWaalsContact CD1-CG2 3.46Å; L552-F581 HydrophobicContact CD1-CD1 4.46Å; L552-F581 HydrophobicContact CD1-CE1 4.4Å; L552-F581 HydrophobicContact CD2-CE1 3.94Å; L552-I592 HydrophobicContact CD2-CG2 4.19Å; L552-F593 HydrophobicContact CD2-CE2 4.21Å
553	S	90.4	Very high	90.3	Very high	50 Å²	50	63.8 Å²	63.8	35%	0.35	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-59.3	-31.5	-176.5	53.1	0	0	0	0	114.3	E551 V555	E551-S553 PolarHBondContact O-N 2.87Å; S553-V555 VanDerWaalsContact C-N 3.3Å; S553-V555 PolarHBondContact O-N 3.49Å
554	S	89.7	Confident	90.4	Very high	81 Å²	81	64.1 Å²	64.1	57%	0.566	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-78.4	-11.9	-179.9	57	0	0	0	0	114.5	L552 F593	L552-S554 VanDerWaalsContact C-N 3.26Å; L552-S554 PolarHBondContact O-N 3.19Å; S554-F593 VanDerWaalsContact OG-CE1 3.25Å; S554-F593 WeakPolarHBondContact OG-CE1 3.45Å; S554-F593 WeakPolarHBondContact OG-CZ 3.35Å
555	V	92.3	Very high	90.5	Very high	23 Å²	23	61.1 Å²	61.1	14%	0.139	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	1.6	176.9	-68.2	0	0	0	0	112.1	L552 S553 Y561 Q562 F581 F593	L552-V555 HydrophobicContact CB-CG2 4.24Å; L552-V555 WeakPolarHBondContact O-CG2 3.38Å; L552-V555 PolarHBondContact O-N 3.21Å; L552-V555 VanDerWaalsContact O-N 3.13Å; S553-V555 VanDerWaalsContact C-N 3.3Å; S553-V555 PolarHBondContact O-N 3.49Å; V555-Y561 CarbonylContact O-C 3.5Å; V555-Y561 VanDerWaalsContact O-CA 3.32Å; V555-Y561 WeakPolarHBondContact O-CA 3.11Å; V555-Q562 HydrophobicContact CB-CB 4.35Å; V555-Q562 PolarHBondContact O-N 2.97Å; V555-F581 HydrophobicContact CG2-CE1 4.25Å; V555-F581 HydrophobicContact CG2-CE2 4.43Å; V555-F581 HydrophobicContact CG2-CZ 3.9Å; V555-F593 HydrophobicContact CG1-CE1 4.18Å; V555-F593 HydrophobicContact CG1-CZ 3.69Å; V555-F593 HydrophobicContact CG2-CE2 4.48Å; V555-F593 HydrophobicContact CG2-CZ 4.16Å
556	E	91.8	Very high	90.6	Very high	50 Å²	50	58.2 Å²	58.2	23%	0.234	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	136.4	179.8	-172.8	-77.7	137.7	0	0	109.9	I536 L552 N558 G559 H560 Y561	I536-E556 HydrophobicContact CD1-CB 4.46Å; I536-E556 VanDerWaalsContact CD1-OE2 3.26Å; I536-E556 WeakPolarHBondContact CD1-OE2 3.45Å; I536-E556 HydrophobicContact CG2-CB 4.34Å; I536-E556 HydrophobicContact CG2-CG 4.47Å; L552-E556 WeakPolarHBondContact O-CB 3.18Å; L552-E556 PolarHBondContact O-N 3.3Å; L552-E556 VanDerWaalsContact O-N 3.16Å; E556-N558 PolarHBondContact OE1-N 2.93Å; E556-N558 VanDerWaalsContact OE1-N 3.07Å; E556-G559 WeakPolarHBondContact OE1-CA 3.02Å; E556-G559 PolarHBondContact OE1-N 3.21Å; E556-H560 CarbonylContact C-O 3.53Å; E556-H560 VanDerWaalsContact CA-O 3.31Å; E556-H560 WeakPolarHBondContact CA-O 3.41Å; E556-Y561 HydrophobicContact CB-CD1 4.2Å; E556-Y561 HydrophobicContact CB-CE1 3.97Å; E556-Y561 HydrophobicContact CG-CD1 4.45Å; E556-Y561 HydrophobicContact CG-CE1 3.96Å; E556-Y561 HydrophobicContact CG-CE2 4.33Å
557	R	88.1	Confident	90.5	Very high	165 Å²	165	54.2 Å²	54.2	62%	0.623	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146	118.2	171.3	-176.1	-178.8	-180	-169	-2.3	109.4	G559 H560 W574	R557-G559 PolarHBondContact O-N 3.01Å; R557-H560 PolarHBondContact N-O 3.34Å; R557-H560 WeakPolarHBondContact O-CB 3.25Å; R557-H560 PolarHBondContact O-N 3.25Å; R557-W574 HydrophobicContact CB-CH2 4.09Å; R557-W574 HydrophobicContact CB-CZ3 3.79Å
558	N	85.4	Confident	90.4	Very high	136 Å²	136	58.1 Å²	58.1	73%	0.727	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	36.3	174.2	-59.5	-24.6	0	0	0	114	E556 H560	E556-N558 PolarHBondContact OE1-N 2.93Å; E556-N558 VanDerWaalsContact OE1-N 3.07Å; N558-H560 VanDerWaalsContact C-N 3.33Å; N558-H560 PolarHBondContact O-CD2 3.01Å
559	G	83.8	Confident	90.2	Very high	40 Å²	40	55.2 Å²	55.2	41%	0.412	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-6.2	-176.9	0	0	0	0	0	114.9	E556 R557	E556-G559 WeakPolarHBondContact OE1-CA 3.02Å; E556-G559 PolarHBondContact OE1-N 3.21Å; R557-G559 PolarHBondContact O-N 3.01Å
560	H	89.6	Confident	90.3	Very high	68 Å²	68	52.9 Å²	52.9	32%	0.315	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	145.9	178.6	-54.9	-84.4	0	0	0	111.2	E556 R557 N558 W574 V575 D576	E556-H560 CarbonylContact C-O 3.53Å; E556-H560 VanDerWaalsContact CA-O 3.31Å; E556-H560 WeakPolarHBondContact CA-O 3.41Å; R557-H560 PolarHBondContact N-O 3.34Å; R557-H560 WeakPolarHBondContact O-CB 3.25Å; R557-H560 PolarHBondContact O-N 3.25Å; N558-H560 VanDerWaalsContact C-N 3.33Å; N558-H560 PolarHBondContact O-CD2 3.01Å; H560-W574 HydrophobicContact CB-CB 4.31Å; H560-W574 HydrophobicContact CB-CE3 4.16Å; H560-V575 CarbonylContact C-O 3.59Å; H560-V575 VanDerWaalsContact CA-O 3.31Å; H560-V575 WeakPolarHBondContact CA-O 3.5Å; H560-D576 IonicContact CE1-OD1 3.12Å; H560-D576 PolarHBondContact CE1-OD1 2.8Å; H560-D576 IonicContact ND1-OD1 2.83Å; H560-D576 PolarHBondContact ND1-OD1 3.41Å
561	Y	92.9	Very high	90.4	Very high	16 Å²	16	52.3 Å²	52.3	6%	0.063	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.3	-178.6	-67.3	-98	0	0	0	110.4	L552 V555 E556 L563 W574 V575 V578 F581	L552-Y561 HydrophobicContact CB-CE1 4.02Å; L552-Y561 HydrophobicContact CD1-CE1 4.14Å; V555-Y561 CarbonylContact O-C 3.5Å; V555-Y561 VanDerWaalsContact O-CA 3.32Å; V555-Y561 WeakPolarHBondContact O-CA 3.11Å; E556-Y561 HydrophobicContact CB-CD1 4.2Å; E556-Y561 HydrophobicContact CB-CE1 3.97Å; E556-Y561 HydrophobicContact CG-CD1 4.45Å; E556-Y561 HydrophobicContact CG-CE1 3.96Å; E556-Y561 HydrophobicContact CG-CE2 4.33Å; Y561-L563 PolarHBondContact O-N 2.92Å; Y561-W574 CarbonylContact O-C 3.6Å; Y561-W574 WeakPolarHBondContact O-CA 3.5Å; Y561-V575 PolarHBondContact N-O 2.89Å; Y561-V575 WeakPolarHBondContact O-CG2 3.47Å; Y561-V575 PolarHBondContact O-N 2.91Å; Y561-V578 HydrophobicContact CD2-CB 4.44Å; Y561-V578 HydrophobicContact CE1-CB 4.12Å; Y561-V578 HydrophobicContact CE1-CG2 4.06Å; Y561-V578 HydrophobicContact CE2-CB 3.89Å; Y561-F581 HydrophobicContact CD1-CD1 4.25Å; Y561-F581 HydrophobicContact CD1-CG 4.37Å; Y561-F581 HydrophobicContact CG-CB 4.13Å; Y561-F581 HydrophobicContact CG-CG 4.33Å
562	Q	94.3	Very high	90.5	Very high	50 Å²	50	49.5 Å²	49.5	23%	0.234	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	122.4	179.5	-165.6	-167.4	-43.9	0	0	110.5	V555 L572 W574 F581	V555-Q562 HydrophobicContact CB-CB 4.35Å; V555-Q562 PolarHBondContact O-N 2.97Å; Q562-L572 HydrophobicContact CG-CD2 4.39Å; Q562-L572 VanDerWaalsContact NE2-CD2 3.26Å; Q562-W574 HydrophobicContact CB-CD2 4.34Å; Q562-W574 HydrophobicContact CB-CE3 3.82Å; Q562-W574 HydrophobicContact CB-CH2 3.9Å; Q562-W574 HydrophobicContact CB-CZ2 4.42Å; Q562-W574 HydrophobicContact CB-CZ3 3.59Å; Q562-W574 HydrophobicContact CG-CD2 4.5Å; Q562-W574 HydrophobicContact CG-CE3 4.44Å; Q562-W574 HydrophobicContact CG-CH2 4.15Å; Q562-W574 HydrophobicContact CG-CZ2 4.22Å; Q562-W574 HydrophobicContact CG-CZ3 4.28Å; Q562-F581 WeakPolarHBondContact O-CE2 3.41Å
563	L	93.6	Very high	90.6	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-67.1	141.6	174.4	-69.9	179	0	0	0	111.2	Q112 P114 Y561 R565 E573 V575 F581	Q112-L563 HydrophobicContact CB-CD1 4.16Å; P114-L563 HydrophobicContact CG-CB 4.28Å; P114-L563 HydrophobicContact CG-CD1 4.21Å; Y561-L563 PolarHBondContact O-N 2.92Å; L563-R565 PolarHBondContact O-N 2.85Å; L563-E573 HydrophobicContact CB-CB 4.35Å; L563-E573 HydrophobicContact CD1-CB 4.06Å; L563-E573 PolarHBondContact N-O 2.85Å; L563-V575 HydrophobicContact CD1-CG1 3.79Å; L563-V575 HydrophobicContact CD2-CG1 3.79Å; L563-V575 HydrophobicContact CD2-CG2 4.04Å; L563-V575 HydrophobicContact CG-CG1 3.82Å; L563-F581 HydrophobicContact CD2-CD2 4.49Å
564	P	90.6	Very high	90.7	Very high	25 Å²	25	49.1 Å²	49.1	16%	0.162	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-62.4	136.9	172.6	-21.5	33.7	0	0	0	111.2	F581 M590	P564-F581 HydrophobicContact CG-CE2 4.28Å; P564-M590 HydrophobicContact CB-CB 3.98Å; P564-M590 HydrophobicContact CB-CE 3.84Å; P564-M590 HydrophobicContact CG-CB 4.12Å; P564-M590 WeakPolarHBondContact O-CE 3.22Å
565	R	89.8	Confident	90.8	Very high	74 Å²	74	45.2 Å²	45.2	28%	0.279	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-98.5	151.7	176	-62	-177.3	-62.4	171.1	1.9	111.8	L563 T568 E570 P571 L572 M590	L563-R565 PolarHBondContact O-N 2.85Å; R565-T568 PolarHBondContact NH1-O 3.42Å; R565-E570 HydrophobicContact CB-CB 4.49Å; R565-E570 VanDerWaalsContact CD-O 3.29Å; R565-E570 WeakPolarHBondContact CD-O 3.35Å; R565-E570 HydrophobicContact CG-CB 4.49Å; R565-E570 PolarHBondContact NH1-O 3.25Å; R565-P571 WeakPolarHBondContact CD-O 3.26Å; R565-L572 VanDerWaalsContact CZ-CD2 3.48Å; R565-M590 WeakPolarHBondContact O-CE 3.43Å
566	V	89.1	Confident	90.6	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.024	24%	0.239	C	C	.	.	S	Bend	trans	-82.6	-33.9	175.5	167.6	0	0	0	0	110.2	E117 R262 N263 W339 E570 M590	E117-V566 HydrophobicContact CG-CG2 4.49Å; E117-V566 VanDerWaalsContact OE1-CG2 3.28Å; E117-V566 WeakPolarHBondContact OE1-CG2 3.5Å; R262-V566 WeakPolarHBondContact CA-O 3.49Å; R262-V566 HydrophobicContact CB-CG1 3.7Å; R262-V566 HydrophobicContact CG-CG1 4.31Å; N263-V566 PolarHBondContact N-O 3.43Å; W339-V566 HydrophobicContact CE3-CG1 4.09Å; W339-V566 HydrophobicContact CH2-CB 4.2Å; W339-V566 HydrophobicContact CH2-CG1 3.55Å; W339-V566 HydrophobicContact CH2-CG2 3.59Å; W339-V566 HydrophobicContact CZ3-CB 4.26Å; W339-V566 HydrophobicContact CZ3-CG1 3.28Å; W339-V566 HydrophobicContact CZ3-CG2 3.96Å; V566-E570 WeakPolarHBondContact CA-OE2 3.48Å; V566-E570 WeakPolarHBondContact CB-OE2 3.5Å; V566-E570 PolarHBondContact N-OE2 2.8Å; V566-M590 HydrophobicContact CG2-CE 3.75Å; V566-M590 HydrophobicContact CG2-SD 4.1Å
567	H	89.5	Confident	90.4	Very high	39 Å²	39	44.2 Å²	44.2	18%	0.181	23%	0.229	C	C	.	.	S	Bend	trans	-138.4	150.5	178.8	-168.8	-100.2	0	0	0	111.9	R262 A569 E570	R262-H567 HydrophobicContact CG-CB 4.05Å; H567-A569 VanDerWaalsContact C-N 3.26Å; H567-A569 VanDerWaalsContact ND1-CB 3.28Å; H567-A569 WeakPolarHBondContact ND1-CB 3.31Å; H567-A569 PolarHBondContact ND1-N 3.33Å; H567-A569 VanDerWaalsContact ND1-N 3.11Å; H567-A569 PolarHBondContact O-N 2.8Å; H567-E570 HydrophobicContact CB-CG 4.14Å; H567-E570 PolarHBondContact N-OE2 3.47Å; H567-E570 WeakPolarHBondContact O-CB 3.15Å; H567-E570 PolarHBondContact O-N 2.88Å
568	T	88.9	Confident	90.6	Very high	101 Å²	101	36.6 Å²	36.6	62%	0.62	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-23.5	-177.3	50.7	0	0	0	0	114	R565 E570	R565-T568 PolarHBondContact NH1-O 3.42Å; T568-E570 VanDerWaalsContact C-N 3.35Å
569	A	88.5	Confident	90.8	Very high	33 Å²	33	30.2 Å²	30.2	27%	0.273	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-7.2	176.1	0	0	0	0	0	114.3	L124 H567	L124-A569 HydrophobicContact CD1-CB 4.05Å; L124-A569 HydrophobicContact CD2-CB 3.91Å; H567-A569 VanDerWaalsContact C-N 3.26Å; H567-A569 VanDerWaalsContact ND1-CB 3.28Å; H567-A569 WeakPolarHBondContact ND1-CB 3.31Å; H567-A569 PolarHBondContact ND1-N 3.33Å; H567-A569 VanDerWaalsContact ND1-N 3.11Å; H567-A569 PolarHBondContact O-N 2.8Å
570	E	92.7	Very high	91.1	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.019	15%	0.148	C	C	.	.	S	Bend	trans	-72.2	150.1	173.4	-71	164.8	178.4	0	0	110.1	I115 Y121 R565 V566 H567 T568	I115-E570 HydrophobicContact CG2-CB 4Å; I115-E570 HydrophobicContact CG2-CG 4.08Å; Y121-E570 WeakPolarHBondContact CE1-OE1 3.24Å; R565-E570 HydrophobicContact CB-CB 4.49Å; R565-E570 VanDerWaalsContact CD-O 3.29Å; R565-E570 WeakPolarHBondContact CD-O 3.35Å; R565-E570 HydrophobicContact CG-CB 4.49Å; R565-E570 PolarHBondContact NH1-O 3.25Å; V566-E570 WeakPolarHBondContact CA-OE2 3.48Å; V566-E570 WeakPolarHBondContact CB-OE2 3.5Å; V566-E570 PolarHBondContact N-OE2 2.8Å; H567-E570 HydrophobicContact CB-CG 4.14Å; H567-E570 PolarHBondContact N-OE2 3.47Å; H567-E570 WeakPolarHBondContact O-CB 3.15Å; H567-E570 PolarHBondContact O-N 2.88Å; T568-E570 VanDerWaalsContact C-N 3.35Å
571	P	93.4	Very high	91.3	Very high	18 Å²	18	25.1 Å²	25.1	12%	0.117	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-60.5	154.8	175.1	29.4	-39.7	0	0	0	112.1	I115 P152 F177 V192 R565	I115-P571 HydrophobicContact CD1-CG 4.27Å; I115-P571 HydrophobicContact CG2-CG 4.14Å; P152-P571 HydrophobicContact CB-CG 4.22Å; P152-P571 HydrophobicContact CG-CB 4.16Å; P152-P571 HydrophobicContact CG-CG 3.87Å; F177-P571 HydrophobicContact CE1-CB 3.82Å; F177-P571 HydrophobicContact CE1-CG 4.39Å; F177-P571 HydrophobicContact CZ-CB 3.82Å; F177-P571 HydrophobicContact CZ-CG 4.4Å; V192-P571 HydrophobicContact CG2-CG 4.44Å; R565-P571 WeakPolarHBondContact CD-O 3.26Å
572	L	93.8	Very high	91.3	Very high	62 Å²	62	24.4 Å²	24.4	33%	0.325	13%	0.13	S	C	.	.	P	Polyproline II helix	trans	-76.3	121.3	169.3	-61.4	175.7	0	0	0	108.5	F177 Q562 R565	F177-L572 WeakPolarHBondContact CZ-O 3.32Å; Q562-L572 HydrophobicContact CG-CD2 4.39Å; Q562-L572 VanDerWaalsContact NE2-CD2 3.26Å; R565-L572 VanDerWaalsContact CZ-CD2 3.48Å
573	E	94.8	Very high	91.2	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.014	12%	0.123	C	C	.	.			trans	-111	143.7	175.9	-65	177.7	127.8	0	0	109.2	P114 I115 F177 S191 V192 L563	P114-E573 WeakPolarHBondContact CA-OE2 3.38Å; I115-E573 PolarHBondContact N-OE2 2.72Å; F177-E573 HydrophobicContact CE2-CB 4.5Å; F177-E573 HydrophobicContact CE2-CG 3.81Å; F177-E573 HydrophobicContact CZ-CG 4.14Å; S191-E573 WeakPolarHBondContact CA-OE1 3.26Å; S191-E573 WeakPolarHBondContact CB-OE1 3.49Å; V192-E573 PolarHBondContact N-OE1 2.95Å; L563-E573 HydrophobicContact CB-CB 4.35Å; L563-E573 HydrophobicContact CD1-CB 4.06Å; L563-E573 PolarHBondContact N-O 2.85Å
574	W	93.3	Very high	91.1	Very high	38 Å²	38	22.9 Å²	22.9	14%	0.144	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	152	-173.2	-59.2	88.4	0	0	0	110.2	S190 R557 H560 Y561 Q562	S190-W574 WeakPolarHBondContact CB-O 3.32Å; R557-W574 HydrophobicContact CB-CH2 4.09Å; R557-W574 HydrophobicContact CB-CZ3 3.79Å; H560-W574 HydrophobicContact CB-CB 4.31Å; H560-W574 HydrophobicContact CB-CE3 4.16Å; Y561-W574 CarbonylContact O-C 3.6Å; Y561-W574 WeakPolarHBondContact O-CA 3.5Å; Q562-W574 HydrophobicContact CB-CD2 4.34Å; Q562-W574 HydrophobicContact CB-CE3 3.82Å; Q562-W574 HydrophobicContact CB-CH2 3.9Å; Q562-W574 HydrophobicContact CB-CZ2 4.42Å; Q562-W574 HydrophobicContact CB-CZ3 3.59Å; Q562-W574 HydrophobicContact CG-CD2 4.5Å; Q562-W574 HydrophobicContact CG-CE3 4.44Å; Q562-W574 HydrophobicContact CG-CH2 4.15Å; Q562-W574 HydrophobicContact CG-CZ2 4.22Å; Q562-W574 HydrophobicContact CG-CZ3 4.28Å
575	V	91.2	Very high	91.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151.7	173.5	-65.9	0	0	0	0	111.3	Q112 H560 Y561 L563 S577 E580 F581	Q112-V575 HydrophobicContact CB-CG1 3.86Å; Q112-V575 HydrophobicContact CG-CG1 4.09Å; H560-V575 CarbonylContact C-O 3.59Å; H560-V575 VanDerWaalsContact CA-O 3.31Å; H560-V575 WeakPolarHBondContact CA-O 3.5Å; Y561-V575 PolarHBondContact N-O 2.89Å; Y561-V575 WeakPolarHBondContact O-CG2 3.47Å; Y561-V575 PolarHBondContact O-N 2.91Å; L563-V575 HydrophobicContact CD1-CG1 3.79Å; L563-V575 HydrophobicContact CD2-CG1 3.79Å; L563-V575 HydrophobicContact CD2-CG2 4.04Å; L563-V575 HydrophobicContact CG-CG1 3.82Å; V575-S577 VanDerWaalsContact C-N 3.27Å; V575-S577 PolarHBondContact O-N 2.78Å; V575-E580 HydrophobicContact CB-CB 4.06Å; V575-E580 HydrophobicContact CB-CG 3.82Å; V575-E580 HydrophobicContact CG1-CG 3.84Å; V575-E580 HydrophobicContact CG2-CB 4.1Å; V575-E580 HydrophobicContact CG2-CG 4.25Å; V575-F581 HydrophobicContact CG2-CB 3.82Å
576	D	87.4	Confident	91.3	Very high	45 Å²	45	19.4 Å²	19.4	24%	0.241	11%	0.108	C	C	.	.	S	Bend	trans	-84	3.2	-168	-57.5	-33.8	0	0	0	113.9	H560	H560-D576 IonicContact CE1-OD1 3.12Å; H560-D576 PolarHBondContact CE1-OD1 2.8Å; H560-D576 IonicContact ND1-OD1 2.83Å; H560-D576 PolarHBondContact ND1-OD1 3.41Å
577	S	88.6	Confident	91.3	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.042	12%	0.116	C	C	.	.			trans	-154.3	152.2	179.8	70.9	0	0	0	0	113.7	V575 D579 E580 F581	V575-S577 VanDerWaalsContact C-N 3.27Å; V575-S577 PolarHBondContact O-N 2.78Å; S577-D579 VanDerWaalsContact C-N 3.25Å; S577-D579 PolarHBondContact O-N 3.02Å; S577-E580 PolarHBondContact O-N 3.07Å; S577-E580 VanDerWaalsContact OG-CB 3.27Å; S577-E580 WeakPolarHBondContact OG-CB 3.4Å; S577-E580 PolarHBondContact OG-N 3.05Å; S577-E580 VanDerWaalsContact OG-N 3.15Å; S577-F581 PolarHBondContact O-N 2.85Å
578	V	90.7	Very high	91.4	Very high	6 Å²	6	19.7 Å²	19.7	4%	0.036	11%	0.111	C	C	.	.	H	α-helix	trans	-63.7	-31.3	173.1	70.5	0	0	0	0	112.3	H501 L504 L528 L552 Y561 F581 V582	H501-V578 HydrophobicContact CB-CG1 3.74Å; L504-V578 HydrophobicContact CD1-CG1 3.81Å; L528-V578 HydrophobicContact CD1-CG1 3.83Å; L528-V578 HydrophobicContact CD1-CG2 3.87Å; L528-V578 HydrophobicContact CD2-CG2 4.2Å; L552-V578 HydrophobicContact CD1-CG2 3.46Å; L552-V578 VanDerWaalsContact CD1-CG2 3.46Å; Y561-V578 HydrophobicContact CD2-CB 4.44Å; Y561-V578 HydrophobicContact CE1-CB 4.12Å; Y561-V578 HydrophobicContact CE1-CG2 4.06Å; Y561-V578 HydrophobicContact CE2-CB 3.89Å; V578-F581 PolarHBondContact O-N 3.15Å; V578-V582 HydrophobicContact CG2-CG2 4.27Å; V578-V582 WeakPolarHBondContact O-CB 3.23Å; V578-V582 VanDerWaalsContact O-CG2 3.31Å; V578-V582 WeakPolarHBondContact O-CG2 3.42Å; V578-V582 PolarHBondContact O-N 2.76Å
579	D	90.9	Very high	91.4	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-64.3	-46.1	176.8	-175.3	65.2	0	0	0	110.9	V495 V496 L504 Y506 S577 K583	V495-D579 WeakPolarHBondContact CA-OD2 3.12Å; V496-D579 PolarHBondContact N-OD2 3.21Å; L504-D579 HydrophobicContact CD1-CB 3.96Å; L504-D579 HydrophobicContact CD2-CB 3.74Å; Y506-D579 WeakPolarHBondContact OH-CA 3.32Å; Y506-D579 PolarHBondContact OH-OD1 2.86Å; S577-D579 VanDerWaalsContact C-N 3.25Å; S577-D579 PolarHBondContact O-N 3.02Å; D579-K583 VanDerWaalsContact O-CB 3.24Å; D579-K583 WeakPolarHBondContact O-CB 3.46Å; D579-K583 VanDerWaalsContact O-CG 3.3Å; D579-K583 WeakPolarHBondContact O-CG 3.31Å; D579-K583 PolarHBondContact O-N 2.94Å; D579-K583 WeakPolarHBondContact OD1-CE 3.32Å; D579-K583 IonicContact OD1-NZ 3.17Å; D579-K583 PolarHBondContact OD1-NZ 3.13Å; D579-K583 IonicContact OD2-NZ 3.98Å; D579-K583 PolarHBondContact OD2-NZ 2.9Å
580	E	90.7	Very high	91.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63	-44.1	175.8	-164.4	161.1	-164.5	0	0	111.2	L108 Q112 V495 R497 V575 S577 K583 S584	L108-E580 WeakPolarHBondContact CD1-OE1 3.35Å; Q112-E580 WeakPolarHBondContact CG-OE1 2.98Å; V495-E580 HydrophobicContact CG1-CB 3.48Å; V495-E580 VanDerWaalsContact CG1-CB 3.48Å; V495-E580 HydrophobicContact CG1-CG 3.74Å; V495-E580 HydrophobicContact CG2-CB 4.43Å; V495-E580 HydrophobicContact CG2-CG 4.3Å; R497-E580 IonicContact CZ-OE1 2.92Å; R497-E580 IonicContact NE-OE1 3.49Å; R497-E580 PolarHBondContact NE-OE1 3.32Å; R497-E580 VanDerWaalsContact NE-OE1 3.17Å; R497-E580 IonicContact NE-OE2 3.31Å; R497-E580 PolarHBondContact NE-OE2 3.28Å; R497-E580 IonicContact NH2-OE1 2.8Å; R497-E580 PolarHBondContact NH2-OE1 3.38Å; V575-E580 HydrophobicContact CB-CB 4.06Å; V575-E580 HydrophobicContact CB-CG 3.82Å; V575-E580 HydrophobicContact CG1-CG 3.84Å; V575-E580 HydrophobicContact CG2-CB 4.1Å; V575-E580 HydrophobicContact CG2-CG 4.25Å; S577-E580 PolarHBondContact O-N 3.07Å; S577-E580 VanDerWaalsContact OG-CB 3.27Å; S577-E580 WeakPolarHBondContact OG-CB 3.4Å; S577-E580 PolarHBondContact OG-N 3.05Å; S577-E580 VanDerWaalsContact OG-N 3.15Å; E580-K583 PolarHBondContact O-N 3.43Å; E580-S584 VanDerWaalsContact O-CB 3.26Å; E580-S584 WeakPolarHBondContact O-CB 3.49Å; E580-S584 PolarHBondContact O-N 2.93Å; E580-S584 PolarHBondContact O-OG 2.75Å
581	F	93.4	Very high	91.4	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.009	7%	0.074	C	C	.	.	H	α-helix	trans	-59.1	-52.8	177.5	170.5	-109.3	0	0	0	112.3	L552 V555 Y561 Q562 L563 P564 V575 S577 V578 K583 S584 S585 I592	L552-F581 HydrophobicContact CD1-CD1 4.46Å; L552-F581 HydrophobicContact CD1-CE1 4.4Å; L552-F581 HydrophobicContact CD2-CE1 3.94Å; V555-F581 HydrophobicContact CG2-CE1 4.25Å; V555-F581 HydrophobicContact CG2-CE2 4.43Å; V555-F581 HydrophobicContact CG2-CZ 3.9Å; Y561-F581 HydrophobicContact CD1-CD1 4.25Å; Y561-F581 HydrophobicContact CD1-CG 4.37Å; Y561-F581 HydrophobicContact CG-CB 4.13Å; Y561-F581 HydrophobicContact CG-CG 4.33Å; Q562-F581 WeakPolarHBondContact O-CE2 3.41Å; L563-F581 HydrophobicContact CD2-CD2 4.49Å; P564-F581 HydrophobicContact CG-CE2 4.28Å; V575-F581 HydrophobicContact CG2-CB 3.82Å; S577-F581 PolarHBondContact O-N 2.85Å; V578-F581 PolarHBondContact O-N 3.15Å; F581-K583 PolarHBondContact O-N 2.99Å; F581-S584 PolarHBondContact O-N 2.68Å; F581-S585 PolarHBondContact O-N 2.6Å; F581-S585 VanDerWaalsContact O-N 3.08Å; F581-I592 HydrophobicContact CD1-CD1 4.28Å; F581-I592 HydrophobicContact CE1-CD1 3.61Å; F581-I592 HydrophobicContact CE1-CG1 4.03Å; F581-I592 HydrophobicContact CE1-CG2 4.13Å; F581-I592 HydrophobicContact CZ-CD1 3.92Å; F581-I592 HydrophobicContact CZ-CG1 3.8Å; F581-I592 HydrophobicContact CZ-CG2 4.03Å
582	V	92.8	Very high	91.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.5	-42.3	-179.7	173.5	0	0	0	0	110.9	F526 L528 V578 S585 I586 I592 P597	F526-V582 HydrophobicContact CD2-CG1 4.24Å; F526-V582 HydrophobicContact CE2-CG1 3.66Å; F526-V582 HydrophobicContact CZ-CG1 3.92Å; L528-V582 HydrophobicContact CD2-CG2 4.35Å; V578-V582 HydrophobicContact CG2-CG2 4.27Å; V578-V582 WeakPolarHBondContact O-CB 3.23Å; V578-V582 VanDerWaalsContact O-CG2 3.31Å; V578-V582 WeakPolarHBondContact O-CG2 3.42Å; V578-V582 PolarHBondContact O-N 2.76Å; V582-S585 WeakPolarHBondContact O-CB 3.33Å; V582-S585 PolarHBondContact O-N 2.9Å; V582-I586 HydrophobicContact CG1-CD1 3.84Å; V582-I586 VanDerWaalsContact O-CG1 3.28Å; V582-I586 WeakPolarHBondContact O-CG1 3.3Å; V582-I586 PolarHBondContact O-N 3.39Å; V582-I592 HydrophobicContact CG2-CD1 4.46Å; V582-P597 HydrophobicContact CG1-CB 4.48Å; V582-P597 HydrophobicContact CG1-CG 4.34Å
583	K	92.1	Very high	91.1	Very high	18 Å²	18	14.2 Å²	14.2	8%	0.078	7%	0.071	C	C	.	.	H	α-helix	trans	-69.2	-35.5	178.7	-75.2	173.8	178.3	160.5	0	112.8	P111 G491 N492 R494 V495 D579 E580 F581 S585 I586 V587	P111-K583 HydrophobicContact CB-CB 4.09Å; P111-K583 HydrophobicContact CG-CB 4.38Å; G491-K583 WeakPolarHBondContact O-CE 3.48Å; N492-K583 WeakPolarHBondContact O-CB 3.4Å; N492-K583 WeakPolarHBondContact O-CG 3.46Å; R494-K583 VanDerWaalsContact O-CD 3.32Å; R494-K583 WeakPolarHBondContact O-CD 3.49Å; R494-K583 VanDerWaalsContact O-CE 3.29Å; R494-K583 WeakPolarHBondContact O-CE 3.42Å; R494-K583 PolarHBondContact O-NZ 2.98Å; V495-K583 HydrophobicContact CG2-CB 3.98Å; V495-K583 HydrophobicContact CG2-CD 3.8Å; D579-K583 VanDerWaalsContact O-CB 3.24Å; D579-K583 WeakPolarHBondContact O-CB 3.46Å; D579-K583 VanDerWaalsContact O-CG 3.3Å; D579-K583 WeakPolarHBondContact O-CG 3.31Å; D579-K583 PolarHBondContact O-N 2.94Å; D579-K583 WeakPolarHBondContact OD1-CE 3.32Å; D579-K583 IonicContact OD1-NZ 3.17Å; D579-K583 PolarHBondContact OD1-NZ 3.13Å; D579-K583 IonicContact OD2-NZ 3.98Å; D579-K583 PolarHBondContact OD2-NZ 2.9Å; E580-K583 PolarHBondContact O-N 3.43Å; F581-K583 PolarHBondContact O-N 2.99Å; K583-S585 VanDerWaalsContact C-N 3.3Å; K583-S585 PolarHBondContact O-N 3.47Å; K583-I586 PolarHBondContact O-N 3.34Å; K583-V587 WeakPolarHBondContact O-CB 3.22Å; K583-V587 WeakPolarHBondContact O-CG2 3.46Å; K583-V587 PolarHBondContact O-N 2.82Å
584	S	92.3	Very high	90.7	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.007	8%	0.077	C	C	.	.	H	α-helix	trans	-58.6	-46.4	171.7	-56.7	0	0	0	0	110.1	P111 Q112 E580 F581 I586 H588	P111-S584 WeakPolarHBondContact CB-OG 3.5Å; Q112-S584 WeakPolarHBondContact O-CB 3.42Å; Q112-S584 PolarHBondContact O-OG 2.72Å; Q112-S584 VanDerWaalsContact O-OG 3.07Å; E580-S584 VanDerWaalsContact O-CB 3.26Å; E580-S584 WeakPolarHBondContact O-CB 3.49Å; E580-S584 PolarHBondContact O-N 2.93Å; E580-S584 PolarHBondContact O-OG 2.75Å; F581-S584 PolarHBondContact O-N 2.68Å; S584-I586 PolarHBondContact O-N 2.78Å; S584-H588 WeakPolarHBondContact O-CB 3.33Å; S584-H588 PolarHBondContact O-CD2 3.31Å; S584-H588 PolarHBondContact O-N 2.79Å
585	S	92.3	Very high	90.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-57.7	-45.6	173.7	162.3	0	0	0	0	112.8	F581 V582 K583 G589 M590	F581-S585 PolarHBondContact O-N 2.6Å; F581-S585 VanDerWaalsContact O-N 3.08Å; V582-S585 WeakPolarHBondContact O-CB 3.33Å; V582-S585 PolarHBondContact O-N 2.9Å; K583-S585 VanDerWaalsContact C-N 3.3Å; K583-S585 PolarHBondContact O-N 3.47Å; S585-G589 CarbonylContact O-C 3.59Å; S585-G589 VanDerWaalsContact O-CA 3.23Å; S585-G589 WeakPolarHBondContact O-CA 3.42Å; S585-G589 PolarHBondContact O-N 2.94Å; S585-M590 WeakPolarHBondContact CB-O 3.22Å; S585-M590 PolarHBondContact O-N 3.03Å; S585-M590 PolarHBondContact OG-O 2.65Å
586	I	91.2	Very high	90.6	Very high	26 Å²	26	14 Å²	14	13%	0.133	8%	0.076	C	C	.	.	H	α-helix	trans	-66.7	-51.5	-179.5	-64.2	161.8	0	0	0	111.7	N492 F526 V582 K583 S584 G589 P597	N492-I586 HydrophobicContact CB-CG2 3.94Å; F526-I586 HydrophobicContact CD1-CD1 4.44Å; F526-I586 HydrophobicContact CE1-CD1 3.46Å; F526-I586 VanDerWaalsContact CE1-CD1 3.46Å; F526-I586 HydrophobicContact CE1-CG1 4.48Å; F526-I586 HydrophobicContact CZ-CD1 3.55Å; V582-I586 HydrophobicContact CG1-CD1 3.84Å; V582-I586 VanDerWaalsContact O-CG1 3.28Å; V582-I586 WeakPolarHBondContact O-CG1 3.3Å; V582-I586 PolarHBondContact O-N 3.39Å; K583-I586 PolarHBondContact O-N 3.34Å; S584-I586 PolarHBondContact O-N 2.78Å; I586-G589 PolarHBondContact O-N 3.21Å; I586-P597 HydrophobicContact CD1-CB 4.35Å; I586-P597 HydrophobicContact CG1-CB 4.07Å; I586-P597 HydrophobicContact CG1-CG 3.96Å; I586-P597 WeakPolarHBondContact CG1-O 3.48Å
587	V	89.9	Confident	90.8	Very high	32 Å²	32	12 Å²	12	19%	0.194	7%	0.066	C	C	.	.	H	α-helix	trans	-68.1	-39.9	-173	170.1	0	0	0	0	111.4	P111 N492 Q493 K583	P111-V587 HydrophobicContact CG-CB 3.74Å; P111-V587 HydrophobicContact CG-CG1 4.07Å; P111-V587 HydrophobicContact CG-CG2 3.67Å; N492-V587 WeakPolarHBondContact O-CG2 3.27Å; Q493-V587 HydrophobicContact CG-CG2 4.01Å; K583-V587 WeakPolarHBondContact O-CB 3.22Å; K583-V587 WeakPolarHBondContact O-CG2 3.46Å; K583-V587 PolarHBondContact O-N 2.82Å
588	H	90.6	Very high	90.8	Very high	18 Å²	18	15 Å²	15	8%	0.083	8%	0.076	C	C	.	.	H	α-helix	trans	-93.4	-0.6	-179.7	-57	-70.2	0	0	0	112.8	Q112 C113 E117 K338 S584 M590	Q112-H588 PolarHBondContact O-NE2 3.36Å; C113-H588 WeakPolarHBondContact CA-NE2 3.37Å; C113-H588 VanDerWaalsContact CB-CE1 3.49Å; C113-H588 WeakPolarHBondContact CB-CE1 3.48Å; C113-H588 PolarHBondContact SG-CE1 2.88Å; E117-H588 HydrophobicContact CB-CB 4.34Å; E117-H588 HydrophobicContact CG-CB 3.9Å; K338-H588 WeakPolarHBondContact CE-O 3.39Å; K338-H588 PolarHBondContact NZ-O 3.09Å; S584-H588 WeakPolarHBondContact O-CB 3.33Å; S584-H588 PolarHBondContact O-CD2 3.31Å; S584-H588 PolarHBondContact O-N 2.79Å; H588-M590 HydrophobicContact CB-CG 4.24Å; H588-M590 PolarHBondContact O-N 3.26Å
589	G	90	Very high	90.6	Very high	7 Å²	7	16.5 Å²	16.5	7%	0.072	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	48.8	179.4	0	0	0	0	0	111.7	W283 K338 S585 I586	W283-G589 VanDerWaalsContact CH2-O 3.31Å; W283-G589 WeakPolarHBondContact CH2-O 3.27Å; K338-G589 WeakPolarHBondContact CE-O 3.47Å; K338-G589 PolarHBondContact NZ-O 3.43Å; S585-G589 CarbonylContact O-C 3.59Å; S585-G589 VanDerWaalsContact O-CA 3.23Å; S585-G589 WeakPolarHBondContact O-CA 3.42Å; S585-G589 PolarHBondContact O-N 2.94Å; I586-G589 PolarHBondContact O-N 3.21Å
590	M	90.1	Very high	90.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.093	C	C	.	.			trans	-102.1	134.4	176.6	-66.8	-63.6	-78.8	0	0	109.7	E117 K338 P564 R565 V566 S585 H588	E117-M590 HydrophobicContact CG-SD 4.45Å; K338-M590 PolarHBondContact NZ-SD 2.93Å; P564-M590 HydrophobicContact CB-CB 3.98Å; P564-M590 HydrophobicContact CB-CE 3.84Å; P564-M590 HydrophobicContact CG-CB 4.12Å; P564-M590 WeakPolarHBondContact O-CE 3.22Å; R565-M590 WeakPolarHBondContact O-CE 3.43Å; V566-M590 HydrophobicContact CG2-CE 3.75Å; V566-M590 HydrophobicContact CG2-SD 4.1Å; S585-M590 WeakPolarHBondContact CB-O 3.22Å; S585-M590 PolarHBondContact O-N 3.03Å; S585-M590 PolarHBondContact OG-O 2.65Å; H588-M590 HydrophobicContact CB-CG 4.24Å; H588-M590 PolarHBondContact O-N 3.26Å
591	P	90.9	Very high	90.4	Very high	8 Å²	8	18.8 Å²	18.8	5%	0.052	10%	0.095	C	C	.	.			trans	-71.7	144.3	177.7	30.1	-31.6	0	0	0	111.4	W283 D284 L595	W283-P591 HydrophobicContact CD2-CG 4.45Å; W283-P591 HydrophobicContact CH2-CG 4.4Å; W283-P591 HydrophobicContact CZ2-CB 3.82Å; W283-P591 HydrophobicContact CZ2-CG 3.72Å; D284-P591 HydrophobicContact CB-CG 4.35Å; P591-L595 CarbonylContact C-O 3.58Å; P591-L595 VanDerWaalsContact CA-O 3.3Å; P591-L595 WeakPolarHBondContact CA-O 3.37Å
592	I	90.9	Very high	90	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.021	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-105.6	106.5	165.3	-62.7	168.8	0	0	0	106.4	L539 L552 F581 V582 G594 L595 P597	L539-I592 HydrophobicContact CD2-CB 4.25Å; L539-I592 HydrophobicContact CD2-CD1 3.73Å; L539-I592 HydrophobicContact CD2-CG2 4.06Å; L552-I592 HydrophobicContact CD2-CG2 4.19Å; F581-I592 HydrophobicContact CD1-CD1 4.28Å; F581-I592 HydrophobicContact CE1-CD1 3.61Å; F581-I592 HydrophobicContact CE1-CG1 4.03Å; F581-I592 HydrophobicContact CE1-CG2 4.13Å; F581-I592 HydrophobicContact CZ-CD1 3.92Å; F581-I592 HydrophobicContact CZ-CG1 3.8Å; F581-I592 HydrophobicContact CZ-CG2 4.03Å; V582-I592 HydrophobicContact CG2-CD1 4.46Å; I592-G594 PolarHBondContact O-N 3.22Å; I592-L595 PolarHBondContact N-O 3.15Å; I592-L595 WeakPolarHBondContact O-CA 3.49Å; I592-L595 VanDerWaalsContact O-CB 3.26Å; I592-L595 WeakPolarHBondContact O-CB 3.04Å; I592-L595 PolarHBondContact O-N 3.45Å; I592-P597 HydrophobicContact CD1-CG 4.12Å
593	F	89.2	Confident	89.2	Confident	82 Å²	82	25.8 Å²	25.8	36%	0.36	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	46.3	-174.9	-47.6	-68	0	0	0	112.5	V550 L552 S554 V555 L595	V550-F593 HydrophobicContact CB-CD2 3.89Å; V550-F593 HydrophobicContact CG1-CB 4.26Å; V550-F593 HydrophobicContact CG1-CD2 4.31Å; V550-F593 HydrophobicContact CG2-CD2 3.84Å; V550-F593 HydrophobicContact CG2-CE2 4.49Å; L552-F593 HydrophobicContact CD2-CE2 4.21Å; S554-F593 VanDerWaalsContact OG-CE1 3.25Å; S554-F593 WeakPolarHBondContact OG-CE1 3.45Å; S554-F593 WeakPolarHBondContact OG-CZ 3.35Å; V555-F593 HydrophobicContact CG1-CE1 4.18Å; V555-F593 HydrophobicContact CG1-CZ 3.69Å; V555-F593 HydrophobicContact CG2-CE2 4.48Å; V555-F593 HydrophobicContact CG2-CZ 4.16Å; F593-L595 PolarHBondContact O-N 3.13Å
594	G	86.9	Confident	88.1	Confident	14 Å²	14	30.6 Å²	30.6	14%	0.144	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	-1.4	-176.8	0	0	0	0	0	116.4	D284 I592	D284-G594 VanDerWaalsContact CG-CA 3.46Å; D284-G594 VanDerWaalsContact CG-N 3.26Å; D284-G594 PolarHBondContact OD1-N 3.45Å; D284-G594 WeakPolarHBondContact OD2-CA 3.22Å; D284-G594 PolarHBondContact OD2-N 3.25Å; I592-G594 PolarHBondContact O-N 3.22Å
595	L	90.6	Very high	86.5	Confident	10 Å²	10	33.2 Å²	33.2	5%	0.052	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-93.1	143.9	176.4	-51.7	-179.9	0	0	0	111.3	V541 V543 K548 V550 P591 I592 F593	V541-L595 HydrophobicContact CB-CB 4.41Å; V541-L595 HydrophobicContact CB-CD1 4.27Å; V541-L595 HydrophobicContact CG2-CB 4.16Å; V541-L595 HydrophobicContact CG2-CD1 4.07Å; V543-L595 HydrophobicContact CG2-CD2 3.94Å; K548-L595 HydrophobicContact CB-CD1 4.15Å; K548-L595 HydrophobicContact CB-CD2 3.88Å; K548-L595 HydrophobicContact CD-CD2 3.72Å; K548-L595 HydrophobicContact CG-CD2 4.36Å; V550-L595 HydrophobicContact CB-CD1 4.43Å; V550-L595 HydrophobicContact CG1-CD1 3.74Å; V550-L595 HydrophobicContact CG2-CD1 3.8Å; P591-L595 CarbonylContact C-O 3.58Å; P591-L595 VanDerWaalsContact CA-O 3.3Å; P591-L595 WeakPolarHBondContact CA-O 3.37Å; I592-L595 PolarHBondContact N-O 3.15Å; I592-L595 WeakPolarHBondContact O-CA 3.49Å; I592-L595 VanDerWaalsContact O-CB 3.26Å; I592-L595 WeakPolarHBondContact O-CB 3.04Å; I592-L595 PolarHBondContact O-N 3.45Å; F593-L595 PolarHBondContact O-N 3.13Å
596	L	90.7	Very high	84.6	Confident	12 Å²	12	34.5 Å²	34.5	6%	0.063	18%	0.177	C	C	.	.			trans	-118.6	91.6	176	-81	174.2	0	0	0	110	W283 V331 V336	W283-L596 HydrophobicContact CH2-CD1 4.46Å; W283-L596 HydrophobicContact CH2-CD2 4.42Å; W283-L596 HydrophobicContact CZ2-CD1 3.75Å; W283-L596 HydrophobicContact CZ2-CD2 3.87Å; W283-L596 HydrophobicContact CZ2-CG 3.98Å; V331-L596 HydrophobicContact CB-CD1 4.49Å; V331-L596 HydrophobicContact CG1-CD1 3.69Å; V331-L596 HydrophobicContact CG2-CD1 3.95Å; V336-L596 HydrophobicContact CG2-CD1 4.1Å
597	P	92.3	Very high	82.5	Confident	3 Å²	3	38 Å²	38	2%	0.019	20%	0.196	C	C	.	.			trans	-61.5	149.3	167.8	27.7	-33.5	0	0	0	110	F526 L539 V541 V582 I586 I592	F526-P597 HydrophobicContact CB-CB 3.9Å; F526-P597 HydrophobicContact CD1-CB 3.51Å; F526-P597 HydrophobicContact CD2-CB 4.34Å; F526-P597 HydrophobicContact CE1-CB 4.07Å; F526-P597 HydrophobicContact CG-CB 3.66Å; L539-P597 HydrophobicContact CD2-CG 4.43Å; V541-P597 HydrophobicContact CG2-CB 4.44Å; V582-P597 HydrophobicContact CG1-CB 4.48Å; V582-P597 HydrophobicContact CG1-CG 4.34Å; I586-P597 HydrophobicContact CD1-CB 4.35Å; I586-P597 HydrophobicContact CG1-CB 4.07Å; I586-P597 HydrophobicContact CG1-CG 3.96Å; I586-P597 WeakPolarHBondContact CG1-O 3.48Å; I592-P597 HydrophobicContact CD1-CG 4.12Å
598	R	88.3	Confident	80.2	Confident	69 Å²	69	46 Å²	46	26%	0.26	22%	0.223	S	C	.	.			trans	-143.9	-45.1	178.8	-58.5	-168.5	-157.4	173.2	19.8	114	N492 G524	N492-R598 PolarHBondContact ND2-O 3.4Å; G524-R598 PolarHBondContact O-N 3.23Å
599	R	87.2	Confident	78	Confident	39 Å²	39	52.3 Å²	52.3	15%	0.147	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	117.3	-175.1	-75.2	-170.3	-61.7	-94	-29.5	110.6	E488 R522 D523 G524 D525 F526 I601	E488-R599 WeakPolarHBondContact OE1-CD 3.21Å; E488-R599 VanDerWaalsContact OE1-CG 3.27Å; E488-R599 WeakPolarHBondContact OE1-CG 3.2Å; R522-R599 VanDerWaalsContact CD-CZ 3.48Å; D523-R599 PolarHBondContact O-NH2 2.85Å; D523-R599 VanDerWaalsContact O-NH2 3.1Å; G524-R599 PolarHBondContact O-N 2.58Å; G524-R599 VanDerWaalsContact O-N 3.13Å; D525-R599 CarbonylContact C-O 3.54Å; D525-R599 WeakPolarHBondContact CA-O 3.43Å; D525-R599 IonicContact OD1-CZ 3.77Å; D525-R599 VanDerWaalsContact OD1-CZ 3.26Å; D525-R599 IonicContact OD1-NE 2.86Å; D525-R599 PolarHBondContact OD1-NE 2.83Å; D525-R599 IonicContact OD1-NH2 3.81Å; D525-R599 PolarHBondContact OD1-NH2 3.5Å; F526-R599 WeakPolarHBondContact CD1-O 3.41Å; F526-R599 PolarHBondContact N-O 3.16Å; R599-I601 PolarHBondContact O-N 3.19Å
600	P	89.6	Confident	76	Confident	38 Å²	38	55.2 Å²	55.2	25%	0.247	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	132	175.9	25.6	-31.2	0	0	0	109.9	Y506 F526 L602	Y506-P600 HydrophobicContact CD1-CB 3.78Å; Y506-P600 HydrophobicContact CG-CB 3.77Å; F526-P600 HydrophobicContact CE1-CB 3.97Å; F526-P600 HydrophobicContact CE1-CG 4.41Å; F526-P600 HydrophobicContact CE2-CB 4.11Å; F526-P600 HydrophobicContact CZ-CB 3.59Å; F526-P600 HydrophobicContact CZ-CG 4.25Å; P600-L602 HydrophobicContact CB-CD2 4.05Å; P600-L602 HydrophobicContact CG-CD2 4.14Å; P600-L602 PolarHBondContact O-N 2.75Å
601	I	87.5	Confident	73.3	Confident	10 Å²	10	63.7 Å²	63.7	5%	0.051	29%	0.294	C	S	.	.			trans	-78.8	110.5	166.8	-64.5	170.2	0	0	0	107	Y506 F508 M519 F520 D525 F526 M527 R599	Y506-I601 VanDerWaalsContact CA-O 3.26Å; Y506-I601 WeakPolarHBondContact CA-O 3.3Å; Y506-I601 VanDerWaalsContact CB-O 3.26Å; Y506-I601 WeakPolarHBondContact CB-O 3.37Å; F508-I601 HydrophobicContact CE2-CG2 4.23Å; F508-I601 WeakPolarHBondContact CE2-O 3.42Å; F508-I601 HydrophobicContact CZ-CG2 4.06Å; M519-I601 HydrophobicContact CB-CD1 4.4Å; M519-I601 HydrophobicContact CB-CG2 3.97Å; M519-I601 HydrophobicContact CE-CG2 3.57Å; F520-I601 HydrophobicContact CB-CD1 4.32Å; F520-I601 HydrophobicContact CD1-CD1 3.41Å; F520-I601 VanDerWaalsContact CD1-CD1 3.41Å; F520-I601 HydrophobicContact CD2-CD1 4.05Å; F520-I601 HydrophobicContact CE1-CD1 3.65Å; F520-I601 HydrophobicContact CE2-CD1 4.26Å; F520-I601 HydrophobicContact CG-CD1 3.64Å; F520-I601 HydrophobicContact CZ-CD1 4.08Å; D525-I601 HydrophobicContact CB-CD1 4.1Å; D525-I601 HydrophobicContact CB-CG1 4.13Å; F526-I601 WeakPolarHBondContact O-CB 3.34Å; F526-I601 WeakPolarHBondContact O-CG1 3.5Å; F526-I601 PolarHBondContact O-N 3.35Å; M527-I601 HydrophobicContact CB-CB 4.47Å; M527-I601 HydrophobicContact CE-CB 4.46Å; M527-I601 HydrophobicContact CE-CD1 3.62Å; M527-I601 HydrophobicContact CE-CG2 4.27Å; R599-I601 PolarHBondContact O-N 3.19Å
602	L	85.2	Confident	70.7	Confident	72 Å²	72	69.6 Å²	69.6	38%	0.377	32%	0.321	S	S	.	.			trans	-85.5	135.2	-177.8	-51	176.4	0	0	0	111	P505 P600 D604 S605	P505-L602 HydrophobicContact CB-CD2 4.13Å; P505-L602 HydrophobicContact CG-CD2 4.24Å; P505-L602 CarbonylContact O-C 3.53Å; P505-L602 WeakPolarHBondContact O-CA 3.28Å; P600-L602 HydrophobicContact CB-CD2 4.05Å; P600-L602 HydrophobicContact CG-CD2 4.14Å; P600-L602 PolarHBondContact O-N 2.75Å; L602-D604 VanDerWaalsContact C-N 3.26Å; L602-D604 PolarHBondContact O-N 2.92Å; L602-S605 WeakPolarHBondContact O-CB 3.31Å; L602-S605 PolarHBondContact O-N 2.72Å; L602-S605 VanDerWaalsContact O-N 3.13Å; L602-S605 PolarHBondContact O-OG 2.94Å
603	R	75.6	Confident	68.2	Low	77 Å²	77	73.3 Å²	73.3	29%	0.291	35%	0.346	S	S	.	.	H	α-helix	trans	-47.8	-47.7	174.3	-74	-178.2	173	160.7	8.4	112.4	D502 P505 F507 F508 S605	D502-R603 PolarHBondContact O-NH1 3.48Å; P505-R603 PolarHBondContact O-N 2.89Å; F507-R603 WeakPolarHBondContact O-CG 3.34Å; F507-R603 PolarHBondContact O-NE 3.29Å; F507-R603 PolarHBondContact O-NH2 3.37Å; F508-R603 HydrophobicContact CD1-CG 4.31Å; F508-R603 HydrophobicContact CE1-CG 3.92Å; F508-R603 HydrophobicContact CE2-CG 4.3Å; F508-R603 HydrophobicContact CZ-CB 4.42Å; F508-R603 HydrophobicContact CZ-CG 3.91Å; R603-S605 PolarHBondContact O-N 2.6Å
604	D	68.5	Low	65.8	Low	119 Å²	119	73.2 Å²	73.2	64%	0.636	35%	0.352	S	S	*	.	H	α-helix	trans	-77.9	-18.3	-174.2	-69.6	-29	0	0	0	114.3	L602 K606	L602-D604 VanDerWaalsContact C-N 3.26Å; L602-D604 PolarHBondContact O-N 2.92Å; D604-K606 PolarHBondContact O-N 3.15Å; D604-K606 VanDerWaalsContact O-N 3.16Å
605	S	59.1	Low	63.7	Low	57 Å²	57	76.8 Å²	76.8	40%	0.399	37%	0.367	S	S	.	.	H	α-helix	trans	-63.1	-26.4	-175	66.1	0	0	0	0	113	L602 R603	L602-S605 WeakPolarHBondContact O-CB 3.31Å; L602-S605 PolarHBondContact O-N 2.72Å; L602-S605 VanDerWaalsContact O-N 3.13Å; L602-S605 PolarHBondContact O-OG 2.94Å; R603-S605 PolarHBondContact O-N 2.6Å
606	K	52.2	Low	61.2	Low	27 Å²	27	83.4 Å²	83.4	12%	0.117	40%	0.395	C	S	.	.	H	α-helix	trans	-124.4	-13	-174.8	-69.7	-173.4	179	178.8	0	115.9	M519 E521 D604 R608 R609 V610	M519-K606 PolarHBondContact O-NZ 2.62Å; E521-K606 WeakPolarHBondContact OE1-CE 3.09Å; E521-K606 IonicContact OE1-NZ 3.68Å; E521-K606 PolarHBondContact OE1-NZ 2.94Å; D604-K606 PolarHBondContact O-N 3.15Å; D604-K606 VanDerWaalsContact O-N 3.16Å; K606-R608 PolarHBondContact O-N 3.35Å; K606-R609 CarbonylContact O-C 3.58Å; K606-R609 WeakPolarHBondContact O-CA 3.3Å; K606-R609 PolarHBondContact O-N 3.26Å; K606-V610 PolarHBondContact O-N 3.12Å
607	L	47.5	Very low	58.9	Low	100 Å²	100	92.2 Å²	92.2	52%	0.524	43%	0.428	S	S	.	.	H	α-helix	trans	-56.4	-32.3	164.5	-88.5	160.2	0	0	0	111.3	R611	L607-R611 WeakPolarHBondContact O-CB 3.32Å; L607-R611 VanDerWaalsContact O-CG 3.32Å; L607-R611 WeakPolarHBondContact O-CG 3.36Å; L607-R611 PolarHBondContact O-N 3.36Å; L607-R611 VanDerWaalsContact O-N 3.13Å
608	R	41.3	Very low	56.4	Low	200 Å²	200	98.7 Å²	98.7	76%	0.755	46%	0.456	S	S	*	.	H	α-helix	trans	-66.5	-36.1	169.8	-71	-173.9	174.5	-169.5	-0.8	113.8	K606 H612	K606-R608 PolarHBondContact O-N 3.35Å; R608-H612 PolarHBondContact O-CD2 3.17Å; R608-H612 PolarHBondContact O-N 3.12Å; R608-H612 VanDerWaalsContact O-N 3.14Å
609	R	45.5	Very low	54.3	Low	149 Å²	149	101.8 Å²	101.8	56%	0.562	47%	0.471	S	S	*	.	H	α-helix	trans	-78.5	-37.4	178.5	-72.9	-170.3	-172.1	168.1	5.6	112.9	E521 K606 R611 H612 C613	E521-R609 IonicContact OE1-NH1 3.88Å; E521-R609 PolarHBondContact OE1-NH1 3.12Å; K606-R609 CarbonylContact O-C 3.58Å; K606-R609 WeakPolarHBondContact O-CA 3.3Å; K606-R609 PolarHBondContact O-N 3.26Å; R609-R611 VanDerWaalsContact C-N 3.32Å; R609-H612 CarbonylContact O-C 3.6Å; R609-H612 PolarHBondContact O-N 3.13Å; R609-H612 VanDerWaalsContact O-N 3.12Å; R609-C613 PolarHBondContact O-N 3.1Å
610	V	46.2	Very low	52.1	Low	69 Å²	69	104.9 Å²	104.9	42%	0.418	49%	0.49	S	S	.	.	H	α-helix	trans	-61.6	-44.1	172.2	177.2	0	0	0	0	109.2	K606 H612 C613 T614	K606-V610 PolarHBondContact O-N 3.12Å; V610-H612 VanDerWaalsContact C-N 3.32Å; V610-H612 PolarHBondContact O-N 2.83Å; V610-C613 PolarHBondContact O-N 3.31Å; V610-C613 VanDerWaalsContact O-N 3.13Å; V610-T614 WeakPolarHBondContact O-CB 3.03Å; V610-T614 PolarHBondContact O-N 2.75Å; V610-T614 PolarHBondContact O-OG1 3.32Å
611	R	35.4	Very low	49.8	Very low	178 Å²	178	109.6 Å²	109.6	67%	0.672	51%	0.507	S	S	*	.	H	α-helix	trans	-56.3	-42.8	171.1	-74	178.3	-177.6	-179.3	2.6	112.4	L607 R609 T614 I615	L607-R611 WeakPolarHBondContact O-CB 3.32Å; L607-R611 VanDerWaalsContact O-CG 3.32Å; L607-R611 WeakPolarHBondContact O-CG 3.36Å; L607-R611 PolarHBondContact O-N 3.36Å; L607-R611 VanDerWaalsContact O-N 3.13Å; R609-R611 VanDerWaalsContact C-N 3.32Å; R611-T614 PolarHBondContact O-N 3.38Å; R611-I615 WeakPolarHBondContact O-CB 3.22Å; R611-I615 WeakPolarHBondContact O-CD1 3.08Å; R611-I615 WeakPolarHBondContact O-CG1 3.45Å; R611-I615 PolarHBondContact O-N 3.26Å
612	H	35.9	Very low	47.9	Very low	133 Å²	133	113.9 Å²	113.9	62%	0.616	53%	0.527	S	S	*	.	H	α-helix	trans	-66.1	-37	174.7	-90.5	-66.3	0	0	0	114.4	R608 R609 V610 K616	R608-H612 PolarHBondContact O-CD2 3.17Å; R608-H612 PolarHBondContact O-N 3.12Å; R608-H612 VanDerWaalsContact O-N 3.14Å; R609-H612 CarbonylContact O-C 3.6Å; R609-H612 PolarHBondContact O-N 3.13Å; R609-H612 VanDerWaalsContact O-N 3.12Å; V610-H612 VanDerWaalsContact C-N 3.32Å; V610-H612 PolarHBondContact O-N 2.83Å; H612-K616 PolarHBondContact O-N 3.01Å
613	C	37.6	Very low	46.3	Very low	81 Å²	81	118 Å²	118	55%	0.547	54%	0.542	S	S	.	.	H	α-helix	trans	-71.6	-38	175.7	-102.5	0	0	0	0	112.1	R609 V610 K616 R617	R609-C613 PolarHBondContact O-N 3.1Å; V610-C613 PolarHBondContact O-N 3.31Å; V610-C613 VanDerWaalsContact O-N 3.13Å; C613-K616 PolarHBondContact O-N 3.03Å; C613-R617 PolarHBondContact O-N 2.79Å
614	T	39.5	Very low	45.1	Very low	80 Å²	80	121.5 Å²	121.5	49%	0.491	56%	0.561	S	S	.	*	H	α-helix	trans	-67.9	-38.6	174.7	-46.6	0	0	0	0	110.7	V610 R611 K616 R617 K618	V610-T614 WeakPolarHBondContact O-CB 3.03Å; V610-T614 PolarHBondContact O-N 2.75Å; V610-T614 PolarHBondContact O-OG1 3.32Å; R611-T614 PolarHBondContact O-N 3.38Å; T614-K616 PolarHBondContact O-N 2.83Å; T614-R617 PolarHBondContact O-N 2.67Å; T614-K618 WeakPolarHBondContact O-CB 3.26Å; T614-K618 PolarHBondContact O-N 2.89Å
615	I	41.3	Very low	44.2	Very low	90 Å²	90	123 Å²	123	46%	0.462	57%	0.565	S	S	.	*	H	α-helix	trans	-63.1	-40.2	172.3	-68.9	162.4	0	0	0	111.2	R611 K618 K619	R611-I615 WeakPolarHBondContact O-CB 3.22Å; R611-I615 WeakPolarHBondContact O-CD1 3.08Å; R611-I615 WeakPolarHBondContact O-CG1 3.45Å; R611-I615 PolarHBondContact O-N 3.26Å; I615-K618 PolarHBondContact O-N 3.44Å; I615-K619 WeakPolarHBondContact O-CB 3.41Å; I615-K619 PolarHBondContact O-N 3.2Å
616	K	39.5	Very low	43.8	Very low	148 Å²	148	127.1 Å²	127.1	64%	0.643	58%	0.582	S	S	*	*	H	α-helix	trans	-65.1	-40.2	173.5	-81.4	-174.7	175.5	-176.9	0	112.5	H612 C613 T614 N620	H612-K616 PolarHBondContact O-N 3.01Å; C613-K616 PolarHBondContact O-N 3.03Å; T614-K616 PolarHBondContact O-N 2.83Å; K616-N620 WeakPolarHBondContact O-CB 3.43Å; K616-N620 PolarHBondContact O-N 3.07Å
617	R	42.8	Very low	43.9	Very low	197 Å²	197	134.3 Å²	134.3	74%	0.743	63%	0.628	S	S	*	*	H	α-helix	trans	-67.7	-37.3	175.2	-80.4	-176.5	170.5	171.4	-2.8	112.3	C613 T614 N620 K621	C613-R617 PolarHBondContact O-N 2.79Å; T614-R617 PolarHBondContact O-N 2.67Å; R617-N620 PolarHBondContact O-N 2.76Å; R617-K621 PolarHBondContact O-N 3.14Å
618	K	39.2	Very low	43.7	Very low	140 Å²	140	136 Å²	136	61%	0.609	63%	0.633	S	S	*	*	H	α-helix	trans	-66.6	-44.5	175.9	-141.1	-178.2	-175.6	-169.4	0	111.4	T614 I615 N620 K621 E622	T614-K618 WeakPolarHBondContact O-CB 3.26Å; T614-K618 PolarHBondContact O-N 2.89Å; I615-K618 PolarHBondContact O-N 3.44Å; K618-N620 VanDerWaalsContact C-N 3.28Å; K618-N620 PolarHBondContact O-N 3.21Å; K618-K621 PolarHBondContact O-N 3.23Å; K618-E622 WeakPolarHBondContact O-CB 3.22Å; K618-E622 WeakPolarHBondContact O-CG 3.17Å; K618-E622 PolarHBondContact O-N 2.94Å
619	K	43.1	Very low	43.9	Very low	134 Å²	134	132.6 Å²	132.6	58%	0.583	63%	0.626	S	S	*	*	H	α-helix	trans	-62.1	-31.5	172.2	-79	-171.8	172.3	-172.7	0	113.8	I615 K623	I615-K619 WeakPolarHBondContact O-CB 3.41Å; I615-K619 PolarHBondContact O-N 3.2Å; K619-K623 WeakPolarHBondContact O-CB 2.9Å; K619-K623 WeakPolarHBondContact O-CG 3.35Å; K619-K623 PolarHBondContact O-N 3.29Å
620	N	40.8	Very low	43.8	Very low	103 Å²	103	131.7 Å²	131.7	55%	0.551	63%	0.63	S	S	*	*	H	α-helix	trans	-78.3	-32.6	175.4	-76.9	-1	0	0	0	112.5	K616 R617 K618 K623 Q624	K616-N620 WeakPolarHBondContact O-CB 3.43Å; K616-N620 PolarHBondContact O-N 3.07Å; R617-N620 PolarHBondContact O-N 2.76Å; K618-N620 VanDerWaalsContact C-N 3.28Å; K618-N620 PolarHBondContact O-N 3.21Å; N620-K623 PolarHBondContact O-N 2.69Å; N620-Q624 PolarHBondContact O-N 3.02Å
621	K	42.5	Very low	43.6	Very low	137 Å²	137	135.4 Å²	135.4	60%	0.596	64%	0.642	S	S	*	*	H	α-helix	trans	-68.9	-44.7	171.1	-94.7	-169.3	168	-165.3	0	112.2	R617 K618 K623 Q624 E625	R617-K621 PolarHBondContact O-N 3.14Å; K618-K621 PolarHBondContact O-N 3.23Å; K621-K623 PolarHBondContact O-N 2.96Å; K621-Q624 PolarHBondContact O-N 3.11Å; K621-E625 PolarHBondContact O-N 3.43Å
622	E	47.6	Very low	44.1	Very low	100 Å²	100	132.8 Å²	132.8	47%	0.467	64%	0.64	S	S	.	*	H	α-helix	trans	-62.6	-24.6	175	-75.7	168.3	-174.5	0	0	112.8	K618 N626	K618-E622 WeakPolarHBondContact O-CB 3.22Å; K618-E622 WeakPolarHBondContact O-CG 3.17Å; K618-E622 PolarHBondContact O-N 2.94Å; E622-N626 PolarHBondContact O-ND2 2.74Å
623	K	52.2	Low	44.7	Very low	159 Å²	159	132.7 Å²	132.7	69%	0.691	64%	0.642	S	S	*	*	H	α-helix	trans	-81	-22.2	171	-85.5	-172.7	173.5	-168.5	0	114.1	K619 N620 K621 V627	K619-K623 WeakPolarHBondContact O-CB 2.9Å; K619-K623 WeakPolarHBondContact O-CG 3.35Å; K619-K623 PolarHBondContact O-N 3.29Å; N620-K623 PolarHBondContact O-N 2.69Å; K621-K623 PolarHBondContact O-N 2.96Å; K623-V627 WeakPolarHBondContact O-CG2 3.28Å
624	Q	49.2	Very low	45.2	Very low	151 Å²	151	136.4 Å²	136.4	71%	0.706	65%	0.649	S	S	*	*	H	α-helix	trans	-89.2	-22.4	176.7	-80.9	-179.6	-27.8	0	0	112.7	N620 K621	N620-Q624 PolarHBondContact O-N 3.02Å; K621-Q624 PolarHBondContact O-N 3.11Å
625	E	51.1	Low	45.7	Very low	151 Å²	151	140.8 Å²	140.8	71%	0.706	66%	0.661	S	S	*	*	S	Bend	trans	-87.5	-10.2	174.5	-73.7	172.3	178.9	0	0	113.4	K621	K621-E625 PolarHBondContact O-N 3.43Å
626	N	48.7	Very low	46	Very low	143 Å²	143	145 Å²	145	77%	0.765	68%	0.678	S	S	*	*			trans	-106.4	17	175.6	-75.3	-53.2	0	0	0	113.4	E622	E622-N626 PolarHBondContact O-ND2 2.74Å
627	V	55.6	Low	46.6	Very low	177 Å²	177	144.7 Å²	144.7	100%	1.073	68%	0.681	S	S	*	*			trans	-118.9	0	166.8	178.2	0	0	0	0	106.5	K623	K623-V627 WeakPolarHBondContact O-CG2 3.28Å

Retrieved 627 of 627 residues in 378.1 ms (Link to these results)

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