A0A087XVC3_POEFO Loading...

Bifunctional coenzyme A synthase

Bifunctional enzyme that catalyzes the fourth and fifth sequential steps of CoA biosynthetic pathway. The fourth reaction is catalyzed by the phosphopantetheine adenylyltransferase, coded by the coaD domain; the fifth reaction is catalyzed by the dephospho-CoA kinase, coded by the coaE domain. May act as a point of CoA biosynthesis regulation.

AlphaFold DB , UniProt , Accession A0A087XVC3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 557 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	S	35.3	Very low	60.3	Low	177 Å²	177	100.9 Å²	100.9	100%	1.238	60%	0.603	S	S	*	*				0	90.7	0	38.3	0	0	0	0	107.8
2	S	33.3	Very low	63.2	Low	114 Å²	114	92.5 Å²	92.5	80%	0.797	55%	0.553	S	S	*	*			trans	-92.1	119.9	168.2	48	0	0	0	0	106.5	S4	S2-S4 PolarHBondContact O-N 3.04Å
3	D	34.8	Very low	65.8	Low	162 Å²	162	85.4 Å²	85.4	87%	0.866	51%	0.51	S	S	*	.			trans	-54.4	102.1	169.8	-84.7	-32.9	0	0	0	108.8	T5	D3-T5 VanDerWaalsContact C-N 3.29Å; D3-T5 PolarHBondContact O-N 3.34Å
4	S	40.2	Very low	68	Low	98 Å²	98	79.4 Å²	79.4	69%	0.685	47%	0.474	S	S	*	.			trans	-70.5	95.9	161	56.8	0	0	0	0	105.7	S2 M6	S2-S4 PolarHBondContact O-N 3.04Å; S4-M6 VanDerWaalsContact C-N 3.28Å; S4-M6 PolarHBondContact O-N 3.37Å
5	T	44.8	Very low	69.7	Low	119 Å²	119	74.1 Å²	74.1	73%	0.73	44%	0.443	S	S	*	.			trans	-51.9	101.4	158.9	38.6	0	0	0	0	106.7	D3 S7	D3-T5 VanDerWaalsContact C-N 3.29Å; D3-T5 PolarHBondContact O-N 3.34Å; T5-S7 PolarHBondContact O-N 3.36Å; T5-S7 VanDerWaalsContact O-N 3.09Å
6	M	53.7	Low	71.1	Confident	176 Å²	176	69.6 Å²	69.6	87%	0.867	42%	0.416	S	S	*	.			trans	-60.8	114.9	175	-82.1	-170	146.5	0	0	107.1	S4 M8	S4-M6 VanDerWaalsContact C-N 3.28Å; S4-M6 PolarHBondContact O-N 3.37Å; M6-M8 PolarHBondContact O-N 2.99Å
7	S	61.4	Low	72.1	Confident	37 Å²	37	65.9 Å²	65.9	26%	0.259	39%	0.394	S	S	.	.			trans	-52	128.5	169.5	37.5	0	0	0	0	108.7	T5 F9 D39	T5-S7 PolarHBondContact O-N 3.36Å; T5-S7 VanDerWaalsContact O-N 3.09Å; S7-F9 VanDerWaalsContact C-N 3.34Å; S7-D39 WeakPolarHBondContact OG-CB 3.42Å; S7-D39 PolarHBondContact OG-OD1 3.11Å
8	M	82.6	Confident	72.9	Confident	144 Å²	144	62.7 Å²	62.7	71%	0.709	38%	0.375	S	S	*	.	S	Bend	trans	-77.9	-23.2	-169.7	-168.2	173.2	-177.7	0	0	112.4	M6 L37	M6-M8 PolarHBondContact O-N 2.99Å; M8-L37 PolarHBondContact N-O 3.26Å
9	F	90.2	Very high	73.4	Confident	35 Å²	35	63.2 Å²	63.2	15%	0.154	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.2	-174.5	-55.9	-76.9	0	0	0	111.6	S7 L37 V38 D39 D124 V125	S7-F9 VanDerWaalsContact C-N 3.34Å; F9-L37 PolarHBondContact N-O 3.29Å; F9-V38 CarbonylContact O-C 3.55Å; F9-V38 WeakPolarHBondContact O-CA 3.02Å; F9-D39 PolarHBondContact O-N 3.06Å; F9-D124 HydrophobicContact CB-CB 4.26Å; F9-D124 HydrophobicContact CD1-CB 3.94Å; F9-V125 HydrophobicContact CB-CB 4.3Å; F9-V125 HydrophobicContact CB-CG1 3.75Å; F9-V125 HydrophobicContact CD1-CB 3.94Å; F9-V125 HydrophobicContact CD1-CG1 4.34Å; F9-V125 HydrophobicContact CD2-CB 3.82Å; F9-V125 HydrophobicContact CD2-CG1 3.75Å; F9-V125 HydrophobicContact CD2-CG2 4.03Å; F9-V125 HydrophobicContact CE1-CB 4.19Å; F9-V125 HydrophobicContact CE2-CB 4.08Å; F9-V125 HydrophobicContact CE2-CG1 4.45Å; F9-V125 HydrophobicContact CE2-CG2 3.89Å; F9-V125 HydrophobicContact CG-CB 3.74Å; F9-V125 HydrophobicContact CG-CG1 3.68Å; F9-V125 HydrophobicContact CG-CG2 4.44Å; F9-V125 HydrophobicContact CZ-CB 4.26Å; F9-V125 HydrophobicContact CZ-CG2 4.17Å
10	S	92	Very high	73.7	Confident	42 Å²	42	62.6 Å²	62.6	29%	0.294	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-47.1	176.8	170.6	0	0	0	0	110.8	R40 T41 D124	S10-R40 WeakPolarHBondContact O-CB 3.44Å; S10-R40 PolarHBondContact O-N 3.21Å; S10-R40 WeakPolarHBondContact OG-CD 3.4Å; S10-T41 PolarHBondContact O-N 3.39Å; S10-D124 PolarHBondContact N-OD2 3.38Å
11	T	94.8	Very high	73.9	Confident	6 Å²	6	68 Å²	68	4%	0.037	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.4	-174.1	-60.3	0	0	0	0	110.7	T41 Y43 H121 D124 V125	T11-T41 WeakPolarHBondContact CA-O 3.26Å; T11-Y43 HydrophobicContact CG2-CD2 3.92Å; T11-Y43 HydrophobicContact CG2-CE2 3.59Å; T11-H121 HydrophobicContact CG2-CB 3.86Å; T11-D124 PolarHBondContact N-OD2 2.84Å; T11-D124 PolarHBondContact O-N 3.44Å; T11-V125 PolarHBondContact O-N 2.92Å
12	G	95.6	Very high	76.1	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	156.5	178.4	0	0	0	0	0	112.9	T41 L42 Y43 V125	G12-T41 PolarHBondContact N-O 3.31Å; G12-L42 WeakPolarHBondContact O-CA 3.18Å; G12-Y43 PolarHBondContact O-N 2.87Å; G12-V125 CarbonylContact C-O 3.54Å; G12-V125 VanDerWaalsContact CA-O 3.32Å; G12-V125 WeakPolarHBondContact CA-O 3.45Å
13	I	96.6	Very high	78.4	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.2	169.7	-174.7	169.2	0	0	0	110.5	Y43 H45 L92 P123 V125 V126 L127 T149 Y153	I13-Y43 CarbonylContact C-O 3.54Å; I13-Y43 WeakPolarHBondContact CA-O 3.5Å; I13-H45 HydrophobicContact CD1-CB 4.26Å; I13-H45 HydrophobicContact CG1-CB 4.36Å; I13-L92 HydrophobicContact CD1-CD1 3.82Å; I13-P123 HydrophobicContact CB-CB 4.34Å; I13-P123 HydrophobicContact CB-CG 4.33Å; I13-P123 HydrophobicContact CG2-CB 3.96Å; I13-P123 HydrophobicContact CG2-CG 4.24Å; I13-V125 PolarHBondContact N-O 3.16Å; I13-V126 HydrophobicContact CG2-CB 4.19Å; I13-V126 HydrophobicContact CG2-CG1 4.03Å; I13-V126 HydrophobicContact CG2-CG2 3.87Å; I13-V126 CarbonylContact O-C 3.55Å; I13-V126 WeakPolarHBondContact O-CA 3.26Å; I13-L127 PolarHBondContact O-N 3.17Å; I13-T149 HydrophobicContact CD1-CG2 4.19Å; I13-T149 HydrophobicContact CG2-CG2 3.68Å; I13-Y153 HydrophobicContact CD1-CD2 3.38Å; I13-Y153 HydrophobicContact CD1-CE2 3.48Å; I13-Y153 VanDerWaalsContact CD1-CE2 3.48Å; I13-Y153 HydrophobicContact CD1-CG 4.23Å
14	L	96.3	Very high	80.6	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	110.3	176.4	175.2	63.4	0	0	0	110	L16 V30 L31 L42 Y43 V44 H45 L127 L164	L14-L16 HydrophobicContact CD1-CD2 4.26Å; L14-L16 HydrophobicContact CD2-CD2 3.97Å; L14-L16 HydrophobicContact CD2-CG 4.29Å; L14-L16 HydrophobicContact CG-CD2 4Å; L14-L16 HydrophobicContact CG-CG 4.17Å; L14-V30 HydrophobicContact CD1-CG1 3.78Å; L14-V30 HydrophobicContact CD2-CG1 3.69Å; L14-V30 HydrophobicContact CG-CG1 4.33Å; L14-L31 HydrophobicContact CD2-CD2 4.12Å; L14-L42 HydrophobicContact CB-CD1 4.04Å; L14-Y43 PolarHBondContact N-O 3.35Å; L14-V44 HydrophobicContact CB-CG2 4.45Å; L14-V44 HydrophobicContact CD2-CG2 4.38Å; L14-V44 CarbonylContact O-C 3.6Å; L14-V44 WeakPolarHBondContact O-CA 3.5Å; L14-H45 PolarHBondContact O-N 2.9Å; L14-L127 CarbonylContact C-O 3.54Å; L14-L127 WeakPolarHBondContact CA-O 3.48Å; L14-L127 HydrophobicContact CB-CB 4.42Å; L14-L127 HydrophobicContact CD1-CB 3.84Å; L14-L164 HydrophobicContact CD1-CD1 3.8Å
15	V	94.3	Very high	82.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	104.2	173.6	-177.7	0	0	0	0	108.6	T17 H45 L50 V126 L127 T128 L145 Y148	V15-T17 HydrophobicContact CG1-CG2 3.91Å; V15-T17 PolarHBondContact O-N 3.27Å; V15-H45 WeakPolarHBondContact CA-O 3.34Å; V15-H45 HydrophobicContact CG2-CB 4.38Å; V15-L50 HydrophobicContact CG1-CD2 4.07Å; V15-V126 HydrophobicContact CG2-CG1 3.85Å; V15-L127 PolarHBondContact N-O 2.87Å; V15-T128 WeakPolarHBondContact O-CA 3.37Å; V15-T128 WeakPolarHBondContact O-CB 3.42Å; V15-T128 PolarHBondContact O-OG1 3.19Å; V15-L145 HydrophobicContact CB-CD1 3.96Å; V15-L145 HydrophobicContact CG1-CD1 4.24Å; V15-L145 HydrophobicContact CG2-CD1 3.92Å; V15-Y148 HydrophobicContact CG1-CE1 4.22Å
16	L	92.1	Very high	84.4	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	113.4	175.8	-69.6	179.4	0	0	0	110	L14 L23 V30 V44 H45 L46 H47 L76 D129	L14-L16 HydrophobicContact CD1-CD2 4.26Å; L14-L16 HydrophobicContact CD2-CD2 3.97Å; L14-L16 HydrophobicContact CD2-CG 4.29Å; L14-L16 HydrophobicContact CG-CD2 4Å; L14-L16 HydrophobicContact CG-CG 4.17Å; L16-L23 HydrophobicContact CB-CD2 4.04Å; L16-L23 HydrophobicContact CD1-CD2 4.23Å; L16-L23 HydrophobicContact CD2-CD2 4.07Å; L16-L23 HydrophobicContact CG-CD2 4.34Å; L16-V30 HydrophobicContact CD2-CG1 4.04Å; L16-V44 HydrophobicContact CD1-CG1 3.56Å; L16-V44 HydrophobicContact CG-CG1 3.91Å; L16-H45 PolarHBondContact N-O 3.5Å; L16-L46 HydrophobicContact CB-CD2 3.99Å; L16-L46 HydrophobicContact CD1-CD2 3.72Å; L16-L46 HydrophobicContact CG-CD2 4.4Å; L16-H47 CarbonylContact O-C 3.57Å; L16-H47 VanDerWaalsContact O-C 3.31Å; L16-H47 PolarHBondContact O-N 3.23Å; L16-L76 HydrophobicContact CD1-CD1 4.37Å; L16-D129 WeakPolarHBondContact CA-OD1 3.5Å; L16-D129 HydrophobicContact CD2-CB 4.12Å
17	T	88.3	Confident	86.1	Confident	6 Å²	6	42 Å²	42	4%	0.037	23%	0.225	C	C	.	.			trans	-109	-20	-173.1	61.8	0	0	0	0	112.9	V15 G49 L50 T128 D129 F130	V15-T17 HydrophobicContact CG1-CG2 3.91Å; V15-T17 PolarHBondContact O-N 3.27Å; T17-G49 PolarHBondContact O-N 2.84Å; T17-L50 HydrophobicContact CG2-CB 3.8Å; T17-L50 HydrophobicContact CG2-CD2 3.9Å; T17-L50 HydrophobicContact CG2-CG 4.32Å; T17-T128 WeakPolarHBondContact CG2-OG1 3.27Å; T17-D129 PolarHBondContact N-OD1 2.97Å; T17-D129 PolarHBondContact OG1-OD1 3.1Å; T17-F130 WeakPolarHBondContact OG1-CA 3.37Å; T17-F130 PolarHBondContact OG1-N 3.29Å
18	S	85.8	Confident	87.3	Confident	8 Å²	8	41.7 Å²	41.7	6%	0.056	22%	0.224	C	C	.	.	S	Bend	trans	-59.5	149.2	178.2	-59.4	0	0	0	0	111.6	L23 R26 P48 D129	S18-L23 VanDerWaalsContact O-CD1 3.27Å; S18-L23 WeakPolarHBondContact O-CD1 3.37Å; S18-L23 WeakPolarHBondContact O-CG 3.17Å; S18-R26 PolarHBondContact OG-NH1 3.27Å; S18-P48 WeakPolarHBondContact O-CA 3.35Å; S18-P48 WeakPolarHBondContact O-CB 3.43Å; S18-D129 WeakPolarHBondContact CB-OD2 3.32Å; S18-D129 PolarHBondContact N-OD2 2.94Å; S18-D129 PolarHBondContact OG-OD2 3.49Å
19	P	83.1	Confident	87.6	Confident	72 Å²	72	36.4 Å²	36.4	47%	0.468	20%	0.201	S	C	.	.			trans	-55.4	143.6	173.3	-25.2	33.7	0	0	0	112.5	Q21 T22 L23	P19-Q21 PolarHBondContact O-N 2.97Å; P19-T22 WeakPolarHBondContact CD-OG1 3.35Å; P19-T22 PolarHBondContact O-N 3.38Å; P19-T22 PolarHBondContact O-OG1 3.21Å; P19-L23 PolarHBondContact O-N 2.96Å
20	L	78.8	Confident	87.7	Confident	51 Å²	51	34.8 Å²	34.8	27%	0.267	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-34.8	-177.7	-72.7	173	0	0	0	113.8	T22 L23 P24 P48 L72	L20-T22 VanDerWaalsContact C-N 3.33Å; L20-T22 PolarHBondContact O-N 3.46Å; L20-L23 HydrophobicContact CD2-CD1 4.24Å; L20-P24 WeakPolarHBondContact O-CD 3.5Å; L20-P48 HydrophobicContact CD1-CG 4.23Å; L20-P48 HydrophobicContact CD2-CB 4.17Å; L20-P48 HydrophobicContact CD2-CG 3.97Å; L20-P48 HydrophobicContact CG-CB 3.82Å; L20-P48 HydrophobicContact CG-CG 3.77Å; L20-L72 HydrophobicContact CD2-CD2 3.67Å
21	Q	78.1	Confident	87.7	Confident	177 Å²	177	33 Å²	33	83%	0.827	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-31.2	180	-64.7	171.3	-7.1	0	0	112.9	P19	P19-Q21 PolarHBondContact O-N 2.97Å
22	T	80.6	Confident	87.5	Confident	60 Å²	60	35 Å²	35	37%	0.368	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-23.7	-177.2	61.5	0	0	0	0	113.1	P19 L20 P24 L25	P19-T22 WeakPolarHBondContact CD-OG1 3.35Å; P19-T22 PolarHBondContact O-N 3.38Å; P19-T22 PolarHBondContact O-OG1 3.21Å; L20-T22 VanDerWaalsContact C-N 3.33Å; L20-T22 PolarHBondContact O-N 3.46Å; T22-P24 VanDerWaalsContact C-CD 3.5Å; T22-L25 PolarHBondContact O-N 3.28Å
23	L	81.6	Confident	87.4	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-53.8	-44.8	-178.2	-85.8	172.6	0	0	0	113.7	L16 S18 P19 L20 L25 R26 I27 L72	L16-L23 HydrophobicContact CB-CD2 4.04Å; L16-L23 HydrophobicContact CD1-CD2 4.23Å; L16-L23 HydrophobicContact CD2-CD2 4.07Å; L16-L23 HydrophobicContact CG-CD2 4.34Å; S18-L23 VanDerWaalsContact O-CD1 3.27Å; S18-L23 WeakPolarHBondContact O-CD1 3.37Å; S18-L23 WeakPolarHBondContact O-CG 3.17Å; P19-L23 PolarHBondContact O-N 2.96Å; L20-L23 HydrophobicContact CD2-CD1 4.24Å; L23-L25 PolarHBondContact O-N 2.95Å; L23-R26 PolarHBondContact O-N 3.46Å; L23-I27 VanDerWaalsContact O-CG1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 3.47Å; L23-I27 PolarHBondContact O-N 2.86Å; L23-I27 VanDerWaalsContact O-N 3.08Å; L23-L72 HydrophobicContact CB-CD1 4.1Å; L23-L72 HydrophobicContact CD1-CD2 4.16Å
24	P	82.1	Confident	87.2	Confident	37 Å²	37	36.2 Å²	36.2	24%	0.24	20%	0.203	C	C	.	.	H	α-helix	trans	-52.8	-33.5	-179	-31.2	36.8	0	0	0	115.2	L20 T22 R26 R75	L20-P24 WeakPolarHBondContact O-CD 3.5Å; T22-P24 VanDerWaalsContact C-CD 3.5Å; P24-R26 VanDerWaalsContact C-N 3.35Å; P24-R75 VanDerWaalsContact CB-NH1 3.28Å
25	L	81.8	Confident	87	Confident	144 Å²	144	36.8 Å²	36.8	75%	0.754	21%	0.208	S	C	*	.	H	α-helix	trans	-78.9	-19.1	179.5	-60.9	174.6	0	0	0	112.8	T22 L23	T22-L25 PolarHBondContact O-N 3.28Å; L23-L25 PolarHBondContact O-N 2.95Å
26	R	83.7	Confident	86.9	Confident	56 Å²	56	43 Å²	43	21%	0.211	24%	0.237	C	C	.	.	H	α-helix	trans	-104.6	-16.3	-174.5	-59.4	-171.5	74.9	-159.8	-1.1	113.9	S18 L23 P24 A28 P29 V30 D129	S18-R26 PolarHBondContact OG-NH1 3.27Å; L23-R26 PolarHBondContact O-N 3.46Å; P24-R26 VanDerWaalsContact C-N 3.35Å; R26-A28 PolarHBondContact O-N 3.32Å; R26-P29 WeakPolarHBondContact O-CD 3.44Å; R26-V30 HydrophobicContact CB-CG2 4.26Å; R26-V30 VanDerWaalsContact O-CB 3.3Å; R26-V30 WeakPolarHBondContact O-CB 3.25Å; R26-V30 WeakPolarHBondContact O-CG2 3.11Å; R26-V30 PolarHBondContact O-N 3.08Å; R26-D129 PolarHBondContact NH1-O 2.95Å; R26-D129 IonicContact NH1-OD2 2.77Å; R26-D129 PolarHBondContact NH2-O 3.2Å
27	I	87.6	Confident	86.9	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-55.1	-53.9	-174.7	-74.1	160	0	0	0	112.4	L23 V30 L31 L72 R75 N79	L23-I27 VanDerWaalsContact O-CG1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 3.47Å; L23-I27 PolarHBondContact O-N 2.86Å; L23-I27 VanDerWaalsContact O-N 3.08Å; I27-V30 PolarHBondContact O-N 3.36Å; I27-L31 HydrophobicContact CG2-CD1 3.56Å; I27-L31 HydrophobicContact CG2-CG 4.14Å; I27-L31 WeakPolarHBondContact O-CB 3.34Å; I27-L31 VanDerWaalsContact O-CG 3.27Å; I27-L31 WeakPolarHBondContact O-CG 3.44Å; I27-L31 PolarHBondContact O-N 3.3Å; I27-L72 HydrophobicContact CD1-CD1 3.43Å; I27-L72 VanDerWaalsContact CD1-CD1 3.43Å; I27-L72 HydrophobicContact CG1-CD1 4.5Å; I27-R75 HydrophobicContact CD1-CB 4.48Å; I27-N79 HydrophobicContact CG2-CB 3.73Å
28	A	87.6	Confident	87.1	Confident	29 Å²	29	44.5 Å²	44.5	24%	0.24	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-51.9	-175.9	0	0	0	0	0	112.5	R26 V30 L31 S32 N79 V83	R26-A28 PolarHBondContact O-N 3.32Å; A28-V30 VanDerWaalsContact C-N 3.34Å; A28-V30 PolarHBondContact O-N 2.95Å; A28-L31 PolarHBondContact O-N 3.18Å; A28-S32 WeakPolarHBondContact O-CB 3.27Å; A28-S32 PolarHBondContact O-N 3.11Å; A28-N79 HydrophobicContact CB-CB 4.43Å; A28-N79 WeakPolarHBondContact CB-OD1 3.49Å; A28-V83 HydrophobicContact CB-CG2 4.28Å
29	P	89.6	Confident	87.4	Confident	34 Å²	34	47.7 Å²	47.7	22%	0.221	26%	0.261	C	S	.	.	H	α-helix	trans	-60.2	-39.6	176.6	-26	34.4	0	0	0	113.9	R26 S32 S33 P166	R26-P29 WeakPolarHBondContact O-CD 3.44Å; P29-S32 PolarHBondContact O-N 3.23Å; P29-S33 PolarHBondContact O-N 3.48Å; P29-S33 PolarHBondContact O-OG 3.31Å; P29-P166 HydrophobicContact CB-CB 3.55Å; P29-P166 HydrophobicContact CB-CG 4.35Å
30	V	91.6	Very high	87.9	Confident	1 Å²	1	52 Å²	52	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-65.7	-46.5	178	172.4	0	0	0	0	110.8	L14 L16 R26 I27 A28 S32 S33 A34 D129 L164 P166	L14-V30 HydrophobicContact CD1-CG1 3.78Å; L14-V30 HydrophobicContact CD2-CG1 3.69Å; L14-V30 HydrophobicContact CG-CG1 4.33Å; L16-V30 HydrophobicContact CD2-CG1 4.04Å; R26-V30 HydrophobicContact CB-CG2 4.26Å; R26-V30 VanDerWaalsContact O-CB 3.3Å; R26-V30 WeakPolarHBondContact O-CB 3.25Å; R26-V30 WeakPolarHBondContact O-CG2 3.11Å; R26-V30 PolarHBondContact O-N 3.08Å; I27-V30 PolarHBondContact O-N 3.36Å; A28-V30 VanDerWaalsContact C-N 3.34Å; A28-V30 PolarHBondContact O-N 2.95Å; V30-S32 VanDerWaalsContact C-N 3.34Å; V30-S32 PolarHBondContact O-N 2.74Å; V30-S33 PolarHBondContact O-N 3.2Å; V30-A34 WeakPolarHBondContact O-CB 3.25Å; V30-A34 PolarHBondContact O-N 3.14Å; V30-D129 HydrophobicContact CG1-CB 4.23Å; V30-D129 HydrophobicContact CG2-CB 3.78Å; V30-L164 HydrophobicContact CG1-CD1 3.84Å; V30-P166 HydrophobicContact CG2-CG 3.84Å
31	L	92.2	Very high	88.7	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-39.8	176.9	-71.5	177.5	0	0	0	111.6	L14 I27 A28 S33 A34 A35 L42 N79 A80	L14-L31 HydrophobicContact CD2-CD2 4.12Å; I27-L31 HydrophobicContact CG2-CD1 3.56Å; I27-L31 HydrophobicContact CG2-CG 4.14Å; I27-L31 WeakPolarHBondContact O-CB 3.34Å; I27-L31 VanDerWaalsContact O-CG 3.27Å; I27-L31 WeakPolarHBondContact O-CG 3.44Å; I27-L31 PolarHBondContact O-N 3.3Å; A28-L31 PolarHBondContact O-N 3.18Å; L31-S33 VanDerWaalsContact C-N 3.33Å; L31-S33 PolarHBondContact O-N 3.07Å; L31-A34 PolarHBondContact O-N 3.08Å; L31-A35 VanDerWaalsContact O-CB 3.29Å; L31-A35 WeakPolarHBondContact O-CB 3.25Å; L31-A35 PolarHBondContact O-N 3.03Å; L31-L42 HydrophobicContact CD2-CD2 3.9Å; L31-N79 HydrophobicContact CD1-CB 3.95Å; L31-A80 HydrophobicContact CD1-CB 4.1Å
32	S	91.3	Very high	89.6	Confident	49 Å²	49	41.4 Å²	41.4	34%	0.343	22%	0.218	S	C	.	.	H	α-helix	trans	-58.3	-46.4	174.5	-165.9	0	0	0	0	111.7	A28 P29 V30 A35 Q36 V83	A28-S32 WeakPolarHBondContact O-CB 3.27Å; A28-S32 PolarHBondContact O-N 3.11Å; P29-S32 PolarHBondContact O-N 3.23Å; V30-S32 VanDerWaalsContact C-N 3.34Å; V30-S32 PolarHBondContact O-N 2.74Å; S32-A35 PolarHBondContact O-N 3.27Å; S32-Q36 PolarHBondContact O-N 3.39Å; S32-V83 VanDerWaalsContact CA-CG1 3.43Å
33	S	91.8	Very high	90.4	Very high	25 Å²	25	38.6 Å²	38.6	18%	0.175	20%	0.2	C	C	.	.	H	α-helix	trans	-66.5	-41.2	179.2	-53.9	0	0	0	0	111.5	P29 V30 L31 A35 Q36	P29-S33 PolarHBondContact O-N 3.48Å; P29-S33 PolarHBondContact O-OG 3.31Å; V30-S33 PolarHBondContact O-N 3.2Å; L31-S33 VanDerWaalsContact C-N 3.33Å; L31-S33 PolarHBondContact O-N 3.07Å; S33-A35 VanDerWaalsContact C-N 3.31Å; S33-A35 PolarHBondContact O-N 2.72Å; S33-Q36 PolarHBondContact O-N 3.17Å
34	A	92.8	Very high	91.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.9	-38.2	175.9	0	0	0	0	0	112.1	V30 L31 Q36 L37 V38 L42 L127 L164	V30-A34 WeakPolarHBondContact O-CB 3.25Å; V30-A34 PolarHBondContact O-N 3.14Å; L31-A34 PolarHBondContact O-N 3.08Å; A34-Q36 PolarHBondContact O-N 3.37Å; A34-L37 PolarHBondContact O-N 3.38Å; A34-V38 PolarHBondContact O-N 3.3Å; A34-L42 HydrophobicContact CB-CD1 4.25Å; A34-L42 HydrophobicContact CB-CD2 3.84Å; A34-L127 HydrophobicContact CB-CD1 3.55Å; A34-L164 HydrophobicContact CB-CD1 4.18Å
35	A	91.9	Very high	91.7	Very high	13 Å²	13	36.8 Å²	36.8	11%	0.107	19%	0.189	C	C	.	.	H	α-helix	trans	-71.6	-13.7	-179.2	0	0	0	0	0	114.8	L31 S32 S33 L37 C84 L87	L31-A35 VanDerWaalsContact O-CB 3.29Å; L31-A35 WeakPolarHBondContact O-CB 3.25Å; L31-A35 PolarHBondContact O-N 3.03Å; S32-A35 PolarHBondContact O-N 3.27Å; S33-A35 VanDerWaalsContact C-N 3.31Å; S33-A35 PolarHBondContact O-N 2.72Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-C84 HydrophobicContact CB-CB 3.41Å; A35-C84 VanDerWaalsContact CB-CB 3.41Å; A35-L87 HydrophobicContact CB-CD1 3.78Å
36	Q	91.8	Very high	92.2	Very high	130 Å²	130	30 Å²	30	61%	0.607	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-21.1	169.4	-66.1	173.5	5.8	0	0	112.2	S32 S33 A34	S32-Q36 PolarHBondContact O-N 3.39Å; S33-Q36 PolarHBondContact O-N 3.17Å; A34-Q36 PolarHBondContact O-N 3.37Å
37	L	92.1	Very high	92.4	Very high	41 Å²	41	28.3 Å²	28.3	22%	0.215	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-30	-174	-60.9	175.9	0	0	0	112.9	M8 F9 A34 A35 L127 V162 L164	M8-L37 PolarHBondContact N-O 3.26Å; F9-L37 PolarHBondContact N-O 3.29Å; A34-L37 PolarHBondContact O-N 3.38Å; A35-L37 VanDerWaalsContact C-N 3.32Å; L37-L127 HydrophobicContact CD1-CD2 3.82Å; L37-V162 HydrophobicContact CD1-CB 4.37Å; L37-V162 HydrophobicContact CD1-CG1 3.91Å; L37-L164 HydrophobicContact CD1-CD2 3.92Å
38	V	93.5	Very high	92.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	140.2	-173.6	-179.2	0	0	0	0	110.1	F9 A34 T41 L42 L87 V125 L127	F9-V38 CarbonylContact O-C 3.55Å; F9-V38 WeakPolarHBondContact O-CA 3.02Å; A34-V38 PolarHBondContact O-N 3.3Å; V38-T41 VanDerWaalsContact CG1-O 3.3Å; V38-T41 WeakPolarHBondContact CG1-O 3.32Å; V38-L42 HydrophobicContact CG2-CD1 4.27Å; V38-L87 HydrophobicContact CG1-CD2 4.44Å; V38-L87 WeakPolarHBondContact O-CD2 3.33Å; V38-V125 HydrophobicContact CG2-CG1 4.06Å; V38-L127 HydrophobicContact CG2-CD1 4.06Å
39	D	92.2	Very high	91.6	Very high	75 Å²	75	31 Å²	31	40%	0.401	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-36.6	-175.4	-163	55.4	0	0	0	115.5	S7 F9 L87	S7-D39 WeakPolarHBondContact OG-CB 3.42Å; S7-D39 PolarHBondContact OG-OD1 3.11Å; F9-D39 PolarHBondContact O-N 3.06Å; D39-L87 VanDerWaalsContact O-CD2 3.24Å; D39-L87 WeakPolarHBondContact O-CD2 3.43Å
40	R	92.8	Very high	91.3	Very high	164 Å²	164	30 Å²	30	62%	0.619	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	-61.2	-168.1	-62	-170.3	178.5	174.5	-2.3	113.6	S10 D88	S10-R40 WeakPolarHBondContact O-CB 3.44Å; S10-R40 PolarHBondContact O-N 3.21Å; S10-R40 WeakPolarHBondContact OG-CD 3.4Å; R40-D88 WeakPolarHBondContact O-CB 2.99Å; R40-D88 PolarHBondContact O-N 2.87Å
41	T	95.8	Very high	90.8	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.1	-170.6	-54.6	0	0	0	0	110.2	S10 T11 G12 V38 Y43 D88 H121	S10-T41 PolarHBondContact O-N 3.39Å; T11-T41 WeakPolarHBondContact CA-O 3.26Å; G12-T41 PolarHBondContact N-O 3.31Å; V38-T41 VanDerWaalsContact CG1-O 3.3Å; V38-T41 WeakPolarHBondContact CG1-O 3.32Å; T41-Y43 HydrophobicContact CG2-CD1 4.44Å; T41-Y43 HydrophobicContact CG2-CD2 4.21Å; T41-Y43 HydrophobicContact CG2-CE1 4.02Å; T41-Y43 HydrophobicContact CG2-CE2 3.75Å; T41-D88 WeakPolarHBondContact CA-O 3.45Å; T41-D88 WeakPolarHBondContact CG2-O 3.26Å; T41-H121 PolarHBondContact OG1-CD2 3.16Å
42	L	97.1	Very high	90.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	105.6	175.6	-177.4	67.1	0	0	0	109.3	G12 L14 L31 A34 V38 L87 D88 V89 R90 L127	G12-L42 WeakPolarHBondContact O-CA 3.18Å; L14-L42 HydrophobicContact CB-CD1 4.04Å; L31-L42 HydrophobicContact CD2-CD2 3.9Å; A34-L42 HydrophobicContact CB-CD1 4.25Å; A34-L42 HydrophobicContact CB-CD2 3.84Å; V38-L42 HydrophobicContact CG2-CD1 4.27Å; L42-L87 HydrophobicContact CB-CD1 4.14Å; L42-L87 HydrophobicContact CD2-CD1 4.29Å; L42-D88 PolarHBondContact N-O 2.8Å; L42-V89 HydrophobicContact CB-CG2 4.35Å; L42-V89 VanDerWaalsContact O-CA 3.31Å; L42-V89 WeakPolarHBondContact O-CA 3.47Å; L42-R90 PolarHBondContact O-N 3.38Å; L42-L127 HydrophobicContact CD1-CD1 4.17Å
43	Y	97.7	Very high	89.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	137.6	170.9	-65.4	-67.4	0	0	0	110	T11 G12 I13 L14 T41 R90 L92 L119 H121 P123 D258	T11-Y43 HydrophobicContact CG2-CD2 3.92Å; T11-Y43 HydrophobicContact CG2-CE2 3.59Å; G12-Y43 PolarHBondContact O-N 2.87Å; I13-Y43 CarbonylContact C-O 3.54Å; I13-Y43 WeakPolarHBondContact CA-O 3.5Å; L14-Y43 PolarHBondContact N-O 3.35Å; T41-Y43 HydrophobicContact CG2-CD1 4.44Å; T41-Y43 HydrophobicContact CG2-CD2 4.21Å; T41-Y43 HydrophobicContact CG2-CE1 4.02Å; T41-Y43 HydrophobicContact CG2-CE2 3.75Å; Y43-R90 CarbonylContact C-O 3.54Å; Y43-R90 WeakPolarHBondContact CA-O 3.49Å; Y43-R90 HydrophobicContact CD1-CB 3.97Å; Y43-R90 HydrophobicContact CE1-CB 4.21Å; Y43-R90 HydrophobicContact CE1-CG 4.48Å; Y43-L92 HydrophobicContact CD1-CD2 3.7Å; Y43-L92 HydrophobicContact CD1-CG 4.34Å; Y43-L92 HydrophobicContact CE1-CD2 4.36Å; Y43-L92 HydrophobicContact CG-CD1 4.48Å; Y43-L92 HydrophobicContact CG-CD2 4.43Å; Y43-L119 HydrophobicContact CD1-CD1 4.37Å; Y43-L119 HydrophobicContact CD1-CD2 4.4Å; Y43-L119 HydrophobicContact CD2-CD1 3.81Å; Y43-L119 HydrophobicContact CE1-CD1 4.5Å; Y43-L119 HydrophobicContact CE1-CD2 4.22Å; Y43-L119 HydrophobicContact CE2-CB 4.12Å; Y43-L119 HydrophobicContact CE2-CD1 3.97Å; Y43-L119 HydrophobicContact CG-CD1 4.01Å; Y43-H121 HydrophobicContact CE2-CB 4.32Å; Y43-H121 VanDerWaalsContact CE2-O 3.28Å; Y43-H121 WeakPolarHBondContact CE2-O 3.27Å; Y43-H121 PolarHBondContact OH-N 3.29Å; Y43-H121 VanDerWaalsContact OH-N 3.12Å; Y43-P123 HydrophobicContact CD2-CG 4.41Å; Y43-D258 HydrophobicContact CE1-CB 3.92Å; Y43-D258 WeakPolarHBondContact CE1-OD2 3.42Å; Y43-D258 PolarHBondContact OH-OD2 3.19Å
44	V	96.8	Very high	88.5	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	113	175.6	-173	0	0	0	0	109.9	L14 L16 L46 L76 V89 R90 L92	L14-V44 HydrophobicContact CB-CG2 4.45Å; L14-V44 HydrophobicContact CD2-CG2 4.38Å; L14-V44 CarbonylContact O-C 3.6Å; L14-V44 WeakPolarHBondContact O-CA 3.5Å; L16-V44 HydrophobicContact CD1-CG1 3.56Å; L16-V44 HydrophobicContact CG-CG1 3.91Å; V44-L46 HydrophobicContact CG1-CD2 4.44Å; V44-L76 HydrophobicContact CB-CD1 4.14Å; V44-L76 HydrophobicContact CG1-CD1 3.76Å; V44-L76 HydrophobicContact CG2-CD1 4.26Å; V44-L76 HydrophobicContact CG2-CD2 4.41Å; V44-V89 HydrophobicContact CG2-CG1 3.93Å; V44-R90 PolarHBondContact N-O 3.47Å; V44-L92 PolarHBondContact O-N 3.05Å
45	H	94.8	Very high	87.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.7	175.8	-179.8	79.7	0	0	0	110	I13 L14 V15 L16 Y148 Y153	I13-H45 HydrophobicContact CD1-CB 4.26Å; I13-H45 HydrophobicContact CG1-CB 4.36Å; L14-H45 PolarHBondContact O-N 2.9Å; V15-H45 WeakPolarHBondContact CA-O 3.34Å; V15-H45 HydrophobicContact CG2-CB 4.38Å; L16-H45 PolarHBondContact N-O 3.5Å; H45-Y148 PolarHBondContact NE2-OH 2.92Å; H45-Y153 HydrophobicContact CB-CE2 4.48Å; H45-Y153 AromaticContact ND1-CE2 3.74Å; H45-Y153 AromaticContact ND1-CZ 3.8Å; H45-Y153 PolarHBondContact ND1-OH 2.72Å
46	L	91.1	Very high	86	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	118	179.4	-62.6	173.5	0	0	0	110.4	L16 V44 I63 L69 L72 V91 N95	L16-L46 HydrophobicContact CB-CD2 3.99Å; L16-L46 HydrophobicContact CD1-CD2 3.72Å; L16-L46 HydrophobicContact CG-CD2 4.4Å; V44-L46 HydrophobicContact CG1-CD2 4.44Å; L46-I63 WeakPolarHBondContact O-CD1 3.4Å; L46-L69 HydrophobicContact CD1-CD1 3.43Å; L46-L69 VanDerWaalsContact CD1-CD1 3.43Å; L46-L72 HydrophobicContact CD1-CD2 4.14Å; L46-L72 HydrophobicContact CD2-CD2 4.01Å; L46-V91 HydrophobicContact CD1-CG1 4.15Å; L46-N95 PolarHBondContact O-ND2 2.9Å
47	H	88.1	Confident	85	Confident	21 Å²	21	42.6 Å²	42.6	10%	0.097	25%	0.254	C	S	.	.			trans	-140.5	66.8	168.8	-161.9	-56.3	0	0	0	110.6	L16 G49 L50 Y148	L16-H47 CarbonylContact O-C 3.57Å; L16-H47 VanDerWaalsContact O-C 3.31Å; L16-H47 PolarHBondContact O-N 3.23Å; H47-G49 PolarHBondContact O-N 3.41Å; H47-L50 HydrophobicContact CB-CB 4.23Å; H47-L50 HydrophobicContact CB-CD2 4.42Å; H47-L50 WeakPolarHBondContact ND1-CB 3.31Å; H47-L50 VanDerWaalsContact O-CB 3.3Å; H47-L50 WeakPolarHBondContact O-CB 3.38Å; H47-L50 PolarHBondContact O-N 2.87Å; H47-L50 VanDerWaalsContact O-N 3.07Å; H47-Y148 AromaticContact CD2-CZ 3.98Å; H47-Y148 PolarHBondContact CD2-OH 3.38Å
48	P	81.4	Confident	84.3	Confident	33 Å²	33	41.6 Å²	41.6	21%	0.214	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	132.4	-178.5	26.6	-35.8	0	0	0	111	S18 L20 I63	S18-P48 WeakPolarHBondContact O-CA 3.35Å; S18-P48 WeakPolarHBondContact O-CB 3.43Å; L20-P48 HydrophobicContact CD1-CG 4.23Å; L20-P48 HydrophobicContact CD2-CB 4.17Å; L20-P48 HydrophobicContact CD2-CG 3.97Å; L20-P48 HydrophobicContact CG-CB 3.82Å; L20-P48 HydrophobicContact CG-CG 3.77Å; P48-I63 HydrophobicContact CG-CD1 4.41Å
49	G	77.6	Confident	83.5	Confident	56 Å²	56	51.3 Å²	51.3	58%	0.577	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	11.1	-177.6	0	0	0	0	0	114.9	T17 H47 N51	T17-G49 PolarHBondContact O-N 2.84Å; H47-G49 PolarHBondContact O-N 3.41Å; G49-N51 PolarHBondContact O-N 3.15Å
50	L	83.8	Confident	82.9	Confident	12 Å²	12	48 Å²	48	6%	0.063	27%	0.269	C	S	.	.			trans	-60.6	120.3	171.8	-173.1	62.1	0	0	0	110	V15 T17 H47 L52 P58 Y148	V15-L50 HydrophobicContact CG1-CD2 4.07Å; T17-L50 HydrophobicContact CG2-CB 3.8Å; T17-L50 HydrophobicContact CG2-CD2 3.9Å; T17-L50 HydrophobicContact CG2-CG 4.32Å; H47-L50 HydrophobicContact CB-CB 4.23Å; H47-L50 HydrophobicContact CB-CD2 4.42Å; H47-L50 WeakPolarHBondContact ND1-CB 3.31Å; H47-L50 VanDerWaalsContact O-CB 3.3Å; H47-L50 WeakPolarHBondContact O-CB 3.38Å; H47-L50 PolarHBondContact O-N 2.87Å; H47-L50 VanDerWaalsContact O-N 3.07Å; L50-L52 HydrophobicContact CD2-CD2 3.8Å; L50-L52 HydrophobicContact CD2-CG 4.33Å; L50-L52 HydrophobicContact CG-CD2 3.94Å; L50-L52 HydrophobicContact CG-CG 4.27Å; L50-P58 HydrophobicContact CD1-CB 3.79Å; L50-Y148 HydrophobicContact CD1-CD2 4.49Å; L50-Y148 HydrophobicContact CD1-CE2 4.22Å; L50-Y148 HydrophobicContact CD2-CD1 4.26Å; L50-Y148 HydrophobicContact CD2-CD2 4.48Å; L50-Y148 HydrophobicContact CD2-CE1 4.14Å; L50-Y148 HydrophobicContact CD2-CE2 4.33Å; L50-Y148 HydrophobicContact CD2-CG 4.45Å
51	N	81.4	Confident	82.4	Confident	88 Å²	88	43.9 Å²	43.9	47%	0.471	26%	0.262	S	S	.	.			trans	-98.7	118.4	174.9	-171.1	-23.6	0	0	0	109.9	G49 T53 S54	G49-N51 PolarHBondContact O-N 3.15Å; N51-T53 PolarHBondContact OD1-N 3.11Å; N51-T53 PolarHBondContact OD1-OG1 3.07Å; N51-S54 PolarHBondContact OD1-N 3.15Å
52	L	82	Confident	81.8	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	28%	0.276	C	S	.	.	S	Bend	trans	-102.7	-6.3	-178.4	-62.8	175.5	0	0	0	113.9	L50 P58 F130 V141 C144 L145	L50-L52 HydrophobicContact CD2-CD2 3.8Å; L50-L52 HydrophobicContact CD2-CG 4.33Å; L50-L52 HydrophobicContact CG-CD2 3.94Å; L50-L52 HydrophobicContact CG-CG 4.27Å; L52-P58 HydrophobicContact CD2-CG 4.02Å; L52-F130 HydrophobicContact CB-CD2 4.32Å; L52-F130 HydrophobicContact CB-CE1 4.4Å; L52-F130 HydrophobicContact CB-CE2 4.13Å; L52-F130 HydrophobicContact CB-CZ 4.18Å; L52-F130 HydrophobicContact CD1-CB 4.17Å; L52-F130 HydrophobicContact CD1-CD2 4.07Å; L52-F130 HydrophobicContact CD1-CG 4.01Å; L52-F130 HydrophobicContact CG-CD2 4.2Å; L52-F130 HydrophobicContact CG-CE2 4.38Å; L52-V141 HydrophobicContact CB-CB 4.5Å; L52-V141 HydrophobicContact CB-CG1 3.82Å; L52-V141 HydrophobicContact CB-CG2 4.37Å; L52-V141 HydrophobicContact CD1-CG1 3.83Å; L52-V141 HydrophobicContact CG-CG1 4.49Å; L52-C144 HydrophobicContact CD2-CB 4.45Å; L52-L145 HydrophobicContact CD1-CB 4.36Å; L52-L145 HydrophobicContact CD1-CD1 4.27Å
53	T	77.5	Confident	81.2	Confident	46 Å²	46	49.1 Å²	49.1	28%	0.282	29%	0.286	S	S	.	.	S	Bend	trans	-95	-14.9	-179.2	54.6	0	0	0	0	113.2	N51 F130 Q137 V141	N51-T53 PolarHBondContact OD1-N 3.11Å; N51-T53 PolarHBondContact OD1-OG1 3.07Å; T53-F130 HydrophobicContact CG2-CE1 3.71Å; T53-F130 HydrophobicContact CG2-CZ 3.78Å; T53-Q137 VanDerWaalsContact CG2-OE1 3.3Å; T53-V141 HydrophobicContact CG2-CG2 3.85Å
54	S	67.1	Low	80.4	Confident	49 Å²	49	51.3 Å²	51.3	34%	0.343	30%	0.301	S	S	.	.	S	Bend	trans	-62.2	137	174.1	-173.3	0	0	0	0	110.8	N51 T56	N51-S54 PolarHBondContact OD1-N 3.15Å; S54-T56 PolarHBondContact O-N 3.23Å; S54-T56 PolarHBondContact OG-OG1 2.91Å
55	G	62.7	Low	79.6	Confident	78 Å²	78	51.7 Å²	51.7	80%	0.804	30%	0.303	S	S	*	.	S	Bend	trans	-64.1	-6.5	175.7	0	0	0	0	0	114.5
56	T	69.4	Low	79.1	Confident	99 Å²	99	53.4 Å²	53.4	61%	0.607	31%	0.314	S	S	*	.	S	Bend	trans	-88.9	135.2	172.9	44.5	0	0	0	0	111.3	S54	S54-T56 PolarHBondContact O-N 3.23Å; S54-T56 PolarHBondContact OG-OG1 2.91Å
57	Q	70.8	Confident	78.4	Confident	125 Å²	125	56.6 Å²	56.6	58%	0.584	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-62.7	125.7	178	-74.5	-171.2	-8.6	0	0	111.2	R59	Q57-R59 PolarHBondContact O-N 2.84Å
58	P	77.3	Confident	78.1	Confident	19 Å²	19	59.3 Å²	59.3	12%	0.123	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-64.1	134.6	177.2	24.9	-32.8	0	0	0	110.2	L50 L52 Y148	L50-P58 HydrophobicContact CD1-CB 3.79Å; L52-P58 HydrophobicContact CD2-CG 4.02Å; P58-Y148 HydrophobicContact CB-CD2 4.07Å; P58-Y148 HydrophobicContact CG-CD2 4.28Å
59	R	76.4	Confident	78.3	Confident	204 Å²	204	58 Å²	58	77%	0.77	34%	0.339	S	S	*	.			trans	-109.7	142.9	175.4	-69	-173.7	178.7	-178.4	-0.5	109.8	Q57	Q57-R59 PolarHBondContact O-N 2.84Å
60	P	80.4	Confident	78.7	Confident	6 Å²	6	56.2 Å²	56.2	4%	0.039	32%	0.318	C	S	.	.			trans	-62.9	143.3	173	-21.7	34.5	0	0	0	111.5	P112 F113 Y148 H151 C152	P60-P112 HydrophobicContact CB-CG 3.59Å; P60-P112 WeakPolarHBondContact O-CD 3.41Å; P60-F113 HydrophobicContact CB-CD2 3.42Å; P60-F113 VanDerWaalsContact CB-CD2 3.42Å; P60-F113 HydrophobicContact CB-CE2 3.79Å; P60-F113 HydrophobicContact CG-CD2 3.84Å; P60-F113 HydrophobicContact CG-CE2 4.47Å; P60-Y148 HydrophobicContact CB-CE2 4.26Å; P60-Y148 HydrophobicContact CG-CD2 4.44Å; P60-Y148 HydrophobicContact CG-CE2 3.96Å; P60-H151 HydrophobicContact CG-CB 4.47Å; P60-C152 WeakPolarHBondContact CG-SG 3.39Å
61	V	81.5	Confident	78.9	Confident	78 Å²	78	58.5 Å²	58.5	47%	0.473	33%	0.333	S	S	.	.			trans	-130.4	147.6	-179	-174.2	0	0	0	0	110.6
62	F	83.9	Confident	79.2	Confident	76 Å²	76	54.6 Å²	54.6	33%	0.333	31%	0.312	S	S	.	.			trans	-74.1	135.9	170.9	-77.4	-69.6	0	0	0	111.8	N95 R97 P112	F62-N95 CarbonylContact C-O 3.58Å; F62-N95 VanDerWaalsContact CA-O 3.23Å; F62-N95 WeakPolarHBondContact CA-O 3.44Å; F62-R97 HydrophobicContact CD1-CB 3.73Å; F62-R97 HydrophobicContact CE1-CB 4.05Å; F62-R97 HydrophobicContact CG-CB 4.47Å; F62-P112 HydrophobicContact CD1-CB 3.75Å; F62-P112 HydrophobicContact CD2-CB 3.97Å; F62-P112 HydrophobicContact CE1-CB 3.46Å; F62-P112 VanDerWaalsContact CE1-CB 3.46Å; F62-P112 HydrophobicContact CE2-CB 3.71Å; F62-P112 HydrophobicContact CG-CB 4Å; F62-P112 HydrophobicContact CZ-CB 3.45Å; F62-P112 VanDerWaalsContact CZ-CB 3.45Å
63	I	83.3	Confident	79.6	Confident	39 Å²	39	54.5 Å²	54.5	20%	0.2	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-110	134.9	175.1	-53.8	171.9	0	0	0	108.7	L46 P48 N95 I96 R97	L46-I63 WeakPolarHBondContact O-CD1 3.4Å; P48-I63 HydrophobicContact CG-CD1 4.41Å; I63-N95 WeakPolarHBondContact CD1-ND2 3.31Å; I63-N95 PolarHBondContact N-O 3.28Å; I63-I96 HydrophobicContact CB-CG1 4.22Å; I63-I96 VanDerWaalsContact O-CA 3.32Å; I63-I96 WeakPolarHBondContact O-CA 3.19Å; I63-R97 PolarHBondContact O-N 3.38Å
64	S	81.3	Confident	80.2	Confident	45 Å²	45	53 Å²	53	32%	0.315	30%	0.302	S	S	.	.			trans	-74.4	142.7	174.2	-62.9	0	0	0	0	111	V66	S64-V66 PolarHBondContact O-N 2.95Å
65	P	80.6	Confident	81.2	Confident	9 Å²	9	56.1 Å²	56.1	6%	0.058	31%	0.306	C	S	.	.			trans	-67.4	123.6	173.2	28.6	-32.9	0	0	0	110.2	I96 R97 A98 M189 T191	P65-I96 HydrophobicContact CB-CG2 4.31Å; P65-R97 WeakPolarHBondContact CD-O 3.4Å; P65-A98 HydrophobicContact CG-CB 4.34Å; P65-M189 HydrophobicContact CB-CB 4.23Å; P65-M189 WeakPolarHBondContact O-CB 3.47Å; P65-M189 PolarHBondContact O-N 3.41Å; P65-M189 VanDerWaalsContact O-N 3.11Å; P65-T191 HydrophobicContact CB-CG2 4.4Å; P65-T191 HydrophobicContact CG-CG2 3.77Å
66	V	82.6	Confident	82.6	Confident	36 Å²	36	52.5 Å²	52.5	22%	0.218	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-128.1	154.9	178.6	-67.3	0	0	0	0	109.5	S64 D68 L69	S64-V66 PolarHBondContact O-N 2.95Å; V66-D68 VanDerWaalsContact C-N 3.25Å; V66-D68 HydrophobicContact CG2-CB 4.36Å; V66-D68 PolarHBondContact O-N 3.24Å; V66-L69 HydrophobicContact CG2-CB 4.04Å; V66-L69 VanDerWaalsContact O-CB 3.25Å; V66-L69 WeakPolarHBondContact O-CB 3.48Å; V66-L69 PolarHBondContact O-N 3.41Å
67	V	77.5	Confident	83.6	Confident	69 Å²	69	48 Å²	48	42%	0.418	24%	0.24	S	C	.	.	H	α-helix	trans	-57	-39.6	-178.3	179.7	0	0	0	0	111.8	L69 S70 T71	V67-L69 PolarHBondContact O-N 3.37Å; V67-S70 PolarHBondContact O-N 3.44Å; V67-S70 PolarHBondContact O-OG 3.27Å; V67-T71 PolarHBondContact O-N 2.97Å; V67-T71 PolarHBondContact O-OG1 3.32Å
68	D	82.2	Confident	84.3	Confident	77 Å²	77	43.5 Å²	43.5	41%	0.412	22%	0.221	S	C	.	.	H	α-helix	trans	-57	-29.2	178.1	-68.2	-8.5	0	0	0	113.5	V66 L72 A186	V66-D68 VanDerWaalsContact C-N 3.25Å; V66-D68 HydrophobicContact CG2-CB 4.36Å; V66-D68 PolarHBondContact O-N 3.24Å; D68-L72 VanDerWaalsContact O-CB 3.3Å; D68-L72 WeakPolarHBondContact O-CB 3.19Å; D68-L72 PolarHBondContact O-N 2.89Å; D68-A186 HydrophobicContact CB-CB 4.43Å; D68-A186 VanDerWaalsContact OD1-CB 3.23Å; D68-A186 WeakPolarHBondContact OD1-CB 3.44Å; D68-A186 VanDerWaalsContact OD2-CB 3.26Å; D68-A186 WeakPolarHBondContact OD2-CB 3.36Å
69	L	85.1	Confident	84.8	Confident	5 Å²	5	44.6 Å²	44.6	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-71.6	-38.5	-180	-175	63.3	0	0	0	111.7	L46 V66 V67 L72 I73 I96 L217	L46-L69 HydrophobicContact CD1-CD1 3.43Å; L46-L69 VanDerWaalsContact CD1-CD1 3.43Å; V66-L69 HydrophobicContact CG2-CB 4.04Å; V66-L69 VanDerWaalsContact O-CB 3.25Å; V66-L69 WeakPolarHBondContact O-CB 3.48Å; V66-L69 PolarHBondContact O-N 3.41Å; V67-L69 PolarHBondContact O-N 3.37Å; L69-L72 HydrophobicContact CD1-CD2 4.38Å; L69-L72 PolarHBondContact O-N 3.31Å; L69-I73 HydrophobicContact CG-CD1 4.38Å; L69-I73 VanDerWaalsContact O-CG1 3.29Å; L69-I73 WeakPolarHBondContact O-CG1 3.35Å; L69-I73 PolarHBondContact O-N 3.27Å; L69-I96 HydrophobicContact CD2-CD1 3.6Å; L69-I96 HydrophobicContact CD2-CG1 4.17Å; L69-I96 HydrophobicContact CD2-CG2 4.21Å; L69-L217 HydrophobicContact CD2-CD1 4.17Å; L69-L217 HydrophobicContact CD2-CD2 3.77Å; L69-L217 HydrophobicContact CG-CD1 4.16Å
70	S	86.6	Confident	85.4	Confident	19 Å²	19	35.2 Å²	35.2	13%	0.133	19%	0.191	C	C	.	.	H	α-helix	trans	-66.8	-41.4	175.9	70.8	0	0	0	0	110.4	V67 L72 I73 T74	V67-S70 PolarHBondContact O-N 3.44Å; V67-S70 PolarHBondContact O-OG 3.27Å; S70-L72 VanDerWaalsContact C-N 3.34Å; S70-L72 PolarHBondContact O-N 3.48Å; S70-I73 PolarHBondContact O-N 2.84Å; S70-T74 PolarHBondContact O-N 3.41Å; S70-T74 PolarHBondContact O-OG1 3.29Å
71	T	87	Confident	85.6	Confident	60 Å²	60	36.2 Å²	36.2	37%	0.368	20%	0.2	S	C	.	.	H	α-helix	trans	-61.2	-41.5	173.3	-51.6	0	0	0	0	111.9	V67 T74 R75	V67-T71 PolarHBondContact O-N 2.97Å; V67-T71 PolarHBondContact O-OG1 3.32Å; T71-T74 PolarHBondContact O-N 3.22Å; T71-R75 WeakPolarHBondContact O-CG 3.29Å; T71-R75 PolarHBondContact O-N 2.99Å
72	L	88.5	Confident	85.5	Confident	6 Å²	6	35.2 Å²	35.2	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-46.3	177	-179	66.8	0	0	0	111.9	L20 L23 I27 L46 D68 L69 S70 T74 R75 L76	L20-L72 HydrophobicContact CD2-CD2 3.67Å; L23-L72 HydrophobicContact CB-CD1 4.1Å; L23-L72 HydrophobicContact CD1-CD2 4.16Å; I27-L72 HydrophobicContact CD1-CD1 3.43Å; I27-L72 VanDerWaalsContact CD1-CD1 3.43Å; I27-L72 HydrophobicContact CG1-CD1 4.5Å; L46-L72 HydrophobicContact CD1-CD2 4.14Å; L46-L72 HydrophobicContact CD2-CD2 4.01Å; D68-L72 VanDerWaalsContact O-CB 3.3Å; D68-L72 WeakPolarHBondContact O-CB 3.19Å; D68-L72 PolarHBondContact O-N 2.89Å; L69-L72 HydrophobicContact CD1-CD2 4.38Å; L69-L72 PolarHBondContact O-N 3.31Å; S70-L72 VanDerWaalsContact C-N 3.34Å; S70-L72 PolarHBondContact O-N 3.48Å; L72-T74 VanDerWaalsContact C-N 3.35Å; L72-T74 PolarHBondContact O-N 2.86Å; L72-R75 PolarHBondContact O-N 3.06Å; L72-L76 WeakPolarHBondContact O-CB 3.37Å; L72-L76 PolarHBondContact O-N 2.71Å
73	I	90.8	Very high	85.6	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-45.8	177.9	-71.1	172.6	0	0	0	110.8	L69 S70 R75 L76 Y77 V91 L93 L217	L69-I73 HydrophobicContact CG-CD1 4.38Å; L69-I73 VanDerWaalsContact O-CG1 3.29Å; L69-I73 WeakPolarHBondContact O-CG1 3.35Å; L69-I73 PolarHBondContact O-N 3.27Å; S70-I73 PolarHBondContact O-N 2.84Å; I73-R75 VanDerWaalsContact C-N 3.35Å; I73-R75 PolarHBondContact O-N 3.14Å; I73-L76 PolarHBondContact O-N 2.85Å; I73-Y77 HydrophobicContact CG2-CD2 3.73Å; I73-Y77 HydrophobicContact CG2-CE2 3.61Å; I73-Y77 WeakPolarHBondContact O-CD2 3.47Å; I73-Y77 PolarHBondContact O-N 3Å; I73-V91 HydrophobicContact CD1-CG1 4.5Å; I73-V91 HydrophobicContact CG1-CG1 4.23Å; I73-L93 HydrophobicContact CD1-CD2 3.83Å; I73-L217 HydrophobicContact CD1-CD1 3.56Å; I73-L217 HydrophobicContact CD1-CG 4.19Å
74	T	88.9	Confident	85.8	Confident	14 Å²	14	32.3 Å²	32.3	9%	0.086	18%	0.182	C	C	.	.	H	α-helix	trans	-58.6	-48	176.5	-54.3	0	0	0	0	110.7	S70 T71 L72 L76 Y77 N78 T210 L319	S70-T74 PolarHBondContact O-N 3.41Å; S70-T74 PolarHBondContact O-OG1 3.29Å; T71-T74 PolarHBondContact O-N 3.22Å; L72-T74 VanDerWaalsContact C-N 3.35Å; L72-T74 PolarHBondContact O-N 2.86Å; T74-L76 VanDerWaalsContact C-N 3.33Å; T74-L76 PolarHBondContact O-N 2.86Å; T74-Y77 PolarHBondContact O-N 3.27Å; T74-N78 PolarHBondContact O-N 3.36Å; T74-N78 VanDerWaalsContact O-N 3.16Å; T74-N78 PolarHBondContact O-ND2 3.2Å; T74-N78 PolarHBondContact O-OD1 2.99Å; T74-T210 HydrophobicContact CG2-CG2 4.05Å; T74-T210 WeakPolarHBondContact OG1-CG2 3.31Å; T74-L319 HydrophobicContact CG2-CB 4.49Å; T74-L319 HydrophobicContact CG2-CD1 3.69Å; T74-L319 HydrophobicContact CG2-CG 4.13Å
75	R	88.3	Confident	85.8	Confident	114 Å²	114	33 Å²	33	43%	0.43	20%	0.197	S	C	.	.	H	α-helix	trans	-60.4	-41.9	177.1	-74.3	178.5	179.7	173.4	-0.3	112	P24 I27 T71 L72 I73 N78 N79	P24-R75 VanDerWaalsContact CB-NH1 3.28Å; I27-R75 HydrophobicContact CD1-CB 4.48Å; T71-R75 WeakPolarHBondContact O-CG 3.29Å; T71-R75 PolarHBondContact O-N 2.99Å; L72-R75 PolarHBondContact O-N 3.06Å; I73-R75 VanDerWaalsContact C-N 3.35Å; I73-R75 PolarHBondContact O-N 3.14Å; R75-N78 PolarHBondContact O-N 3.06Å; R75-N79 PolarHBondContact O-N 3.32Å; R75-N79 PolarHBondContact O-ND2 3.05Å
76	L	91.5	Very high	86.1	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-50.3	179.9	-173	161.6	0	0	0	111.3	L16 V44 L72 I73 T74 N78 N79 A80 V89 V91	L16-L76 HydrophobicContact CD1-CD1 4.37Å; V44-L76 HydrophobicContact CB-CD1 4.14Å; V44-L76 HydrophobicContact CG1-CD1 3.76Å; V44-L76 HydrophobicContact CG2-CD1 4.26Å; V44-L76 HydrophobicContact CG2-CD2 4.41Å; L72-L76 WeakPolarHBondContact O-CB 3.37Å; L72-L76 PolarHBondContact O-N 2.71Å; I73-L76 PolarHBondContact O-N 2.85Å; T74-L76 VanDerWaalsContact C-N 3.33Å; T74-L76 PolarHBondContact O-N 2.86Å; L76-N78 VanDerWaalsContact C-N 3.31Å; L76-N78 PolarHBondContact O-N 3.29Å; L76-N79 PolarHBondContact O-N 3.17Å; L76-A80 VanDerWaalsContact O-CB 3.26Å; L76-A80 WeakPolarHBondContact O-CB 3.37Å; L76-A80 PolarHBondContact O-N 2.99Å; L76-V89 HydrophobicContact CD2-CG1 3.68Å; L76-V91 HydrophobicContact CD1-CG2 3.81Å; L76-V91 HydrophobicContact CD2-CG2 3.75Å; L76-V91 HydrophobicContact CG-CG2 4.34Å
77	Y	91.1	Very high	86.5	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-31.3	179.8	-76.7	-56.7	0	0	0	113.5	I73 T74 A81 V89 V91 K209 T210 S213	I73-Y77 HydrophobicContact CG2-CD2 3.73Å; I73-Y77 HydrophobicContact CG2-CE2 3.61Å; I73-Y77 WeakPolarHBondContact O-CD2 3.47Å; I73-Y77 PolarHBondContact O-N 3Å; T74-Y77 PolarHBondContact O-N 3.27Å; Y77-A81 PolarHBondContact O-N 3.32Å; Y77-V89 WeakPolarHBondContact CE1-O 3.36Å; Y77-V91 HydrophobicContact CE1-CG2 4.32Å; Y77-V91 HydrophobicContact CE2-CG2 3.97Å; Y77-V91 PolarHBondContact OH-N 3.35Å; Y77-V91 VanDerWaalsContact OH-N 3.09Å; Y77-K209 HydrophobicContact CD1-CB 3.94Å; Y77-K209 HydrophobicContact CD1-CD 4.05Å; Y77-K209 HydrophobicContact CD2-CB 4.2Å; Y77-K209 HydrophobicContact CE1-CB 3.59Å; Y77-K209 HydrophobicContact CE1-CD 3.63Å; Y77-K209 HydrophobicContact CE1-CG 4.25Å; Y77-K209 HydrophobicContact CE2-CB 3.84Å; Y77-K209 HydrophobicContact CG-CB 4.24Å; Y77-T210 WeakPolarHBondContact CB-OG1 3.04Å; Y77-T210 VanDerWaalsContact CD2-OG1 3.3Å; Y77-T210 WeakPolarHBondContact CD2-OG1 3.44Å; Y77-S213 WeakPolarHBondContact CE2-OG 3.34Å; Y77-S213 PolarHBondContact OH-OG 2.94Å
78	N	85.8	Confident	87.2	Confident	32 Å²	32	35.9 Å²	35.9	17%	0.171	20%	0.204	C	C	.	.	H	α-helix	trans	-68.2	-51.7	173.7	-59.9	-28	0	0	0	111.7	T74 R75 L76 A80 A81 D82 L319	T74-N78 PolarHBondContact O-N 3.36Å; T74-N78 VanDerWaalsContact O-N 3.16Å; T74-N78 PolarHBondContact O-ND2 3.2Å; T74-N78 PolarHBondContact O-OD1 2.99Å; R75-N78 PolarHBondContact O-N 3.06Å; L76-N78 VanDerWaalsContact C-N 3.31Å; L76-N78 PolarHBondContact O-N 3.29Å; N78-A80 PolarHBondContact O-N 3.38Å; N78-A81 WeakPolarHBondContact O-CB 3.48Å; N78-A81 PolarHBondContact O-N 3.03Å; N78-D82 PolarHBondContact O-N 3.29Å; N78-L319 WeakPolarHBondContact ND2-CB 3.47Å; N78-L319 WeakPolarHBondContact ND2-CD1 3.1Å
79	N	87.6	Confident	87.9	Confident	42 Å²	42	32.3 Å²	32.3	23%	0.225	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-36.1	177.8	-77.5	-87.7	0	0	0	111	I27 A28 L31 R75 L76 D82 V83	I27-N79 HydrophobicContact CG2-CB 3.73Å; A28-N79 HydrophobicContact CB-CB 4.43Å; A28-N79 WeakPolarHBondContact CB-OD1 3.49Å; L31-N79 HydrophobicContact CD1-CB 3.95Å; R75-N79 PolarHBondContact O-N 3.32Å; R75-N79 PolarHBondContact O-ND2 3.05Å; L76-N79 PolarHBondContact O-N 3.17Å; N79-D82 PolarHBondContact O-N 3.47Å; N79-V83 VanDerWaalsContact O-CB 3.29Å; N79-V83 WeakPolarHBondContact O-CB 3.32Å; N79-V83 WeakPolarHBondContact O-CG2 3.5Å; N79-V83 PolarHBondContact O-N 3.27Å
80	A	88.6	Confident	88.4	Confident	6 Å²	6	32.7 Å²	32.7	5%	0.05	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-42	174.8	0	0	0	0	0	112.4	L31 L76 N78 D82 C84 G85 V89	L31-A80 HydrophobicContact CD1-CB 4.1Å; L76-A80 VanDerWaalsContact O-CB 3.26Å; L76-A80 WeakPolarHBondContact O-CB 3.37Å; L76-A80 PolarHBondContact O-N 2.99Å; N78-A80 PolarHBondContact O-N 3.38Å; A80-D82 VanDerWaalsContact C-N 3.27Å; A80-D82 PolarHBondContact O-N 2.8Å; A80-C84 VanDerWaalsContact CA-SG 3.53Å; A80-C84 CarbonylContact O-C 3.5Å; A80-C84 WeakPolarHBondContact O-CA 3.41Å; A80-C84 PolarHBondContact O-N 3.22Å; A80-C84 PolarHBondContact O-SG 2.8Å; A80-C84 VanDerWaalsContact O-SG 3.32Å; A80-G85 PolarHBondContact O-N 2.89Å; A80-G85 VanDerWaalsContact O-N 3.15Å; A80-V89 HydrophobicContact CB-CB 4.12Å; A80-V89 HydrophobicContact CB-CG1 4.33Å; A80-V89 HydrophobicContact CB-CG2 3.77Å
81	A	84	Confident	88.9	Confident	28 Å²	28	31.8 Å²	31.8	23%	0.231	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-37.1	175.7	0	0	0	0	0	111.9	Y77 N78 I332	Y77-A81 PolarHBondContact O-N 3.32Å; N78-A81 WeakPolarHBondContact O-CB 3.48Å; N78-A81 PolarHBondContact O-N 3.03Å; A81-I332 HydrophobicContact CB-CD1 3.59Å
82	D	81.4	Confident	89.4	Confident	56 Å²	56	28.9 Å²	28.9	30%	0.299	16%	0.162	S	C	.	.	H	α-helix	trans	-78.8	-42.7	-176.5	-64.6	-20.8	0	0	0	113.3	N78 N79 A80 A322 H323	N78-D82 PolarHBondContact O-N 3.29Å; N79-D82 PolarHBondContact O-N 3.47Å; A80-D82 VanDerWaalsContact C-N 3.27Å; A80-D82 PolarHBondContact O-N 2.8Å; D82-A322 VanDerWaalsContact OD1-CB 3.23Å; D82-A322 WeakPolarHBondContact OD1-CB 3.39Å; D82-H323 PolarHBondContact O-NE2 3.07Å; D82-H323 IonicContact OD1-CD2 2.86Å
83	V	85.6	Confident	89.6	Confident	55 Å²	55	28.6 Å²	28.6	33%	0.333	16%	0.161	S	C	.	.	H	α-helix	trans	-101	-32.1	-167.6	-178.8	0	0	0	0	112.3	A28 S32 N79	A28-V83 HydrophobicContact CB-CG2 4.28Å; S32-V83 VanDerWaalsContact CA-CG1 3.43Å; N79-V83 VanDerWaalsContact O-CB 3.29Å; N79-V83 WeakPolarHBondContact O-CB 3.32Å; N79-V83 WeakPolarHBondContact O-CG2 3.5Å; N79-V83 PolarHBondContact O-N 3.27Å
84	C	86.4	Confident	89.6	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.			trans	-138.3	44	-175	67.4	0	0	0	0	112.5	A35 A80 H86 L87	A35-C84 HydrophobicContact CB-CB 3.41Å; A35-C84 VanDerWaalsContact CB-CB 3.41Å; A80-C84 VanDerWaalsContact CA-SG 3.53Å; A80-C84 CarbonylContact O-C 3.5Å; A80-C84 WeakPolarHBondContact O-CA 3.41Å; A80-C84 PolarHBondContact O-N 3.22Å; A80-C84 PolarHBondContact O-SG 2.8Å; A80-C84 VanDerWaalsContact O-SG 3.32Å; C84-H86 PolarHBondContact O-N 2.8Å; C84-L87 HydrophobicContact CB-CD1 3.94Å; C84-L87 HydrophobicContact CB-CG 4.2Å; C84-L87 WeakPolarHBondContact O-CB 3.45Å; C84-L87 PolarHBondContact O-N 2.78Å
85	G	82.8	Confident	89.6	Confident	60 Å²	60	28.9 Å²	28.9	62%	0.619	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-10.1	-175.6	0	0	0	0	0	116	A80	A80-G85 PolarHBondContact O-N 2.89Å; A80-G85 VanDerWaalsContact O-N 3.15Å
86	H	84.9	Confident	89.6	Confident	116 Å²	116	23.6 Å²	23.6	54%	0.537	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-18.2	171.5	62.1	-81.8	0	0	0	113	C84	C84-H86 PolarHBondContact O-N 2.8Å
87	L	91.5	Very high	89.1	Confident	14 Å²	14	30.8 Å²	30.8	7%	0.073	17%	0.169	C	C	.	.	S	Bend	trans	-90.3	142	-178.2	-60.1	-175.8	0	0	0	113	A35 V38 D39 L42 C84 V89	A35-L87 HydrophobicContact CB-CD1 3.78Å; V38-L87 HydrophobicContact CG1-CD2 4.44Å; V38-L87 WeakPolarHBondContact O-CD2 3.33Å; D39-L87 VanDerWaalsContact O-CD2 3.24Å; D39-L87 WeakPolarHBondContact O-CD2 3.43Å; L42-L87 HydrophobicContact CB-CD1 4.14Å; L42-L87 HydrophobicContact CD2-CD1 4.29Å; C84-L87 HydrophobicContact CB-CD1 3.94Å; C84-L87 HydrophobicContact CB-CG 4.2Å; C84-L87 WeakPolarHBondContact O-CB 3.45Å; C84-L87 PolarHBondContact O-N 2.78Å; L87-V89 HydrophobicContact CB-CG2 4.08Å; L87-V89 PolarHBondContact O-N 2.79Å; L87-V89 VanDerWaalsContact O-N 3.13Å
88	D	93.7	Very high	88.3	Confident	43 Å²	43	31.6 Å²	31.6	23%	0.23	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	85.6	162	-173.6	18	0	0	0	110.1	R40 T41 L42 R90 K209	R40-D88 WeakPolarHBondContact O-CB 2.99Å; R40-D88 PolarHBondContact O-N 2.87Å; T41-D88 WeakPolarHBondContact CA-O 3.45Å; T41-D88 WeakPolarHBondContact CG2-O 3.26Å; L42-D88 PolarHBondContact N-O 2.8Å; D88-R90 IonicContact OD1-NE 3.52Å; D88-R90 IonicContact OD2-CZ 3.78Å; D88-R90 IonicContact OD2-NE 4Å; D88-R90 PolarHBondContact OD2-NE 2.99Å; D88-R90 IonicContact OD2-NH2 3.69Å; D88-R90 PolarHBondContact OD2-NH2 3.18Å; D88-K209 WeakPolarHBondContact OD1-CE 3.45Å; D88-K209 IonicContact OD1-NZ 3.45Å; D88-K209 PolarHBondContact OD1-NZ 3.31Å
89	V	95.4	Very high	87	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	132.2	174.4	-175.6	0	0	0	0	110.3	L42 V44 L76 Y77 A80 L87 K209	L42-V89 HydrophobicContact CB-CG2 4.35Å; L42-V89 VanDerWaalsContact O-CA 3.31Å; L42-V89 WeakPolarHBondContact O-CA 3.47Å; V44-V89 HydrophobicContact CG2-CG1 3.93Å; L76-V89 HydrophobicContact CD2-CG1 3.68Å; Y77-V89 WeakPolarHBondContact CE1-O 3.36Å; A80-V89 HydrophobicContact CB-CB 4.12Å; A80-V89 HydrophobicContact CB-CG1 4.33Å; A80-V89 HydrophobicContact CB-CG2 3.77Å; L87-V89 HydrophobicContact CB-CG2 4.08Å; L87-V89 PolarHBondContact O-N 2.79Å; L87-V89 VanDerWaalsContact O-N 3.13Å; V89-K209 WeakPolarHBondContact O-CD 3.46Å; V89-K209 PolarHBondContact O-NZ 3.33Å
90	R	97	Very high	85.3	Confident	13 Å²	13	40.6 Å²	40.6	5%	0.049	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	121.9	177.7	-58.5	-175.3	-174.4	-166.3	1.1	110.6	L42 Y43 V44 D88 E254 F255 D258	L42-R90 PolarHBondContact O-N 3.38Å; Y43-R90 CarbonylContact C-O 3.54Å; Y43-R90 WeakPolarHBondContact CA-O 3.49Å; Y43-R90 HydrophobicContact CD1-CB 3.97Å; Y43-R90 HydrophobicContact CE1-CB 4.21Å; Y43-R90 HydrophobicContact CE1-CG 4.48Å; V44-R90 PolarHBondContact N-O 3.47Å; D88-R90 IonicContact OD1-NE 3.52Å; D88-R90 IonicContact OD2-CZ 3.78Å; D88-R90 IonicContact OD2-NE 4Å; D88-R90 PolarHBondContact OD2-NE 2.99Å; D88-R90 IonicContact OD2-NH2 3.69Å; D88-R90 PolarHBondContact OD2-NH2 3.18Å; R90-E254 PolarHBondContact NH1-O 2.69Å; R90-F255 HydrophobicContact CB-CE2 4.42Å; R90-F255 HydrophobicContact CG-CD2 4.02Å; R90-F255 HydrophobicContact CG-CE2 4.14Å; R90-D258 IonicContact CZ-OD2 3.82Å; R90-D258 IonicContact NE-OD2 3.26Å; R90-D258 IonicContact NH1-OD2 3.36Å; R90-D258 PolarHBondContact NH1-OD2 3.14Å
91	V	96.6	Very high	82.9	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.7	176.2	-177	0	0	0	0	109.8	L46 I73 L76 Y77 L93	L46-V91 HydrophobicContact CD1-CG1 4.15Å; I73-V91 HydrophobicContact CD1-CG1 4.5Å; I73-V91 HydrophobicContact CG1-CG1 4.23Å; L76-V91 HydrophobicContact CD1-CG2 3.81Å; L76-V91 HydrophobicContact CD2-CG2 3.75Å; L76-V91 HydrophobicContact CG-CG2 4.34Å; Y77-V91 HydrophobicContact CE1-CG2 4.32Å; Y77-V91 HydrophobicContact CE2-CG2 3.97Å; Y77-V91 PolarHBondContact OH-N 3.35Å; Y77-V91 VanDerWaalsContact OH-N 3.09Å; V91-L93 HydrophobicContact CG1-CD2 3.87Å
92	L	96.1	Very high	80.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	124.6	179.2	-55.4	-176.7	0	0	0	110.1	I13 Y43 V44 L119 Y153 D258	I13-L92 HydrophobicContact CD1-CD1 3.82Å; Y43-L92 HydrophobicContact CD1-CD2 3.7Å; Y43-L92 HydrophobicContact CD1-CG 4.34Å; Y43-L92 HydrophobicContact CE1-CD2 4.36Å; Y43-L92 HydrophobicContact CG-CD1 4.48Å; Y43-L92 HydrophobicContact CG-CD2 4.43Å; V44-L92 PolarHBondContact O-N 3.05Å; L92-L119 HydrophobicContact CD1-CD1 4.28Å; L92-L119 HydrophobicContact CD1-CD2 4.2Å; L92-L119 HydrophobicContact CD2-CD2 3.79Å; L92-Y153 HydrophobicContact CD1-CD1 4.46Å; L92-Y153 HydrophobicContact CD1-CE1 3.72Å; L92-Y153 HydrophobicContact CD1-CE2 3.83Å; L92-Y153 VanDerWaalsContact CD1-OH 3.31Å; L92-Y153 WeakPolarHBondContact CD1-OH 3.49Å; L92-D258 HydrophobicContact CD2-CB 4.34Å; L92-D258 VanDerWaalsContact CD2-O 3.23Å; L92-D258 WeakPolarHBondContact CD2-O 3.42Å
93	L	93.4	Very high	78.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	32%	0.317	C	S	.	.			trans	-112.5	19.6	-179.8	-48.9	178.2	0	0	0	112.4	I73 V91 N95 I96 S213 C216 L217 T259 K260	I73-L93 HydrophobicContact CD1-CD2 3.83Å; V91-L93 HydrophobicContact CG1-CD2 3.87Å; L93-N95 VanDerWaalsContact C-N 3.33Å; L93-N95 PolarHBondContact O-N 2.82Å; L93-I96 HydrophobicContact CB-CD1 4.17Å; L93-I96 HydrophobicContact CD2-CD1 3.54Å; L93-I96 HydrophobicContact CG-CD1 4.46Å; L93-I96 PolarHBondContact O-N 2.6Å; L93-I96 VanDerWaalsContact O-N 3.17Å; L93-S213 WeakPolarHBondContact CD1-O 3.45Å; L93-C216 HydrophobicContact CD1-CB 3.83Å; L93-L217 HydrophobicContact CD1-CD2 3.94Å; L93-L217 HydrophobicContact CD1-CG 3.97Å; L93-L217 HydrophobicContact CD2-CD2 4.07Å; L93-L217 HydrophobicContact CG-CD2 4.48Å; L93-T259 CarbonylContact C-O 3.51Å; L93-T259 WeakPolarHBondContact CA-O 3.42Å; L93-T259 WeakPolarHBondContact CB-O 3.43Å; L93-T259 HydrophobicContact CD1-CG2 3.75Å; L93-T259 HydrophobicContact CG-CG2 3.91Å; L93-T259 PolarHBondContact N-O 3.41Å; L93-K260 HydrophobicContact CB-CB 4.4Å; L93-K260 HydrophobicContact CB-CD 4.45Å; L93-K260 HydrophobicContact CB-CG 4.49Å
94	T	90.1	Very high	76.3	Confident	19 Å²	19	51.4 Å²	51.4	12%	0.117	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-33.3	-176.8	47.9	0	0	0	0	113.2	F113 Y153 P261	T94-F113 HydrophobicContact CG2-CE1 4.37Å; T94-F113 VanDerWaalsContact OG1-CE1 3.29Å; T94-F113 WeakPolarHBondContact OG1-CE1 3.32Å; T94-F113 WeakPolarHBondContact OG1-CZ 3.37Å; T94-Y153 HydrophobicContact CG2-CE1 4.19Å; T94-Y153 PolarHBondContact OG1-OH 2.67Å; T94-P261 HydrophobicContact CG2-CG 3.86Å
95	N	89.5	Confident	73.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	9.9	176.3	70.9	-31.7	0	0	0	113.4	L46 F62 I63 L93 P112 F113	L46-N95 PolarHBondContact O-ND2 2.9Å; F62-N95 CarbonylContact C-O 3.58Å; F62-N95 VanDerWaalsContact CA-O 3.23Å; F62-N95 WeakPolarHBondContact CA-O 3.44Å; I63-N95 WeakPolarHBondContact CD1-ND2 3.31Å; I63-N95 PolarHBondContact N-O 3.28Å; L93-N95 VanDerWaalsContact C-N 3.33Å; L93-N95 PolarHBondContact O-N 2.82Å; N95-P112 HydrophobicContact CB-CB 4.37Å; N95-P112 HydrophobicContact CB-CG 4.35Å; N95-F113 HydrophobicContact CB-CE2 3.95Å; N95-F113 HydrophobicContact CB-CZ 4.04Å
96	I	87.7	Confident	71.6	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.021	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-104.5	123.3	-179.7	-67	155.2	0	0	0	110.4	I63 P65 L69 L93 L217 K260	I63-I96 HydrophobicContact CB-CG1 4.22Å; I63-I96 VanDerWaalsContact O-CA 3.32Å; I63-I96 WeakPolarHBondContact O-CA 3.19Å; P65-I96 HydrophobicContact CB-CG2 4.31Å; L69-I96 HydrophobicContact CD2-CD1 3.6Å; L69-I96 HydrophobicContact CD2-CG1 4.17Å; L69-I96 HydrophobicContact CD2-CG2 4.21Å; L93-I96 HydrophobicContact CB-CD1 4.17Å; L93-I96 HydrophobicContact CD2-CD1 3.54Å; L93-I96 HydrophobicContact CG-CD1 4.46Å; L93-I96 PolarHBondContact O-N 2.6Å; L93-I96 VanDerWaalsContact O-N 3.17Å; I96-L217 HydrophobicContact CB-CD2 4.44Å; I96-L217 HydrophobicContact CD1-CD2 4.21Å; I96-L217 HydrophobicContact CG2-CD2 3.66Å; I96-K260 PolarHBondContact O-NZ 2.94Å
97	R	82.7	Confident	69.6	Low	152 Å²	152	59.5 Å²	59.5	57%	0.574	41%	0.411	S	S	*	.			trans	-146.2	136.1	-177	-164.2	178.8	-179.7	176	1.4	111.3	F62 I63 P65 Q99	F62-R97 HydrophobicContact CD1-CB 3.73Å; F62-R97 HydrophobicContact CE1-CB 4.05Å; F62-R97 HydrophobicContact CG-CB 4.47Å; I63-R97 PolarHBondContact O-N 3.38Å; P65-R97 WeakPolarHBondContact CD-O 3.4Å; R97-Q99 PolarHBondContact O-N 3.08Å
98	A	74.4	Confident	67.4	Low	22 Å²	22	62.1 Å²	62.1	18%	0.182	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-63.5	132	167.4	0	0	0	0	0	109.6	P65 T191 N220	P65-A98 HydrophobicContact CG-CB 4.34Å; A98-T191 HydrophobicContact CB-CG2 4.29Å; A98-N220 WeakPolarHBondContact CB-OD1 3.46Å
99	Q	58.4	Low	65.3	Low	156 Å²	156	66.7 Å²	66.7	73%	0.729	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-57.8	137.7	179.7	-76.7	-174.5	-11.2	0	0	110.5	R97 A101	R97-Q99 PolarHBondContact O-N 3.08Å; Q99-A101 PolarHBondContact O-N 3.05Å
100	P	51.3	Low	63.7	Low	107 Å²	107	73.2 Å²	73.2	70%	0.695	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-63.9	135	167.5	26	-29.2	0	0	0	108.7	A102	P100-A102 PolarHBondContact O-N 2.92Å
101	A	38.9	Very low	62.2	Low	98 Å²	98	75 Å²	75	81%	0.81	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-49.8	130.4	171.8	0	0	0	0	0	109.2	Q99 G103	Q99-A101 PolarHBondContact O-N 3.05Å; A101-G103 PolarHBondContact O-N 2.97Å
102	A	39.5	Very low	61.2	Low	114 Å²	114	75.7 Å²	75.7	94%	0.942	52%	0.517	S	S	*	.	S	Bend	trans	-47.3	109.5	-174.7	0	0	0	0	0	111.7	P100	P100-A102 PolarHBondContact O-N 2.92Å
103	G	35.3	Very low	60.5	Low	72 Å²	72	76 Å²	76	74%	0.742	52%	0.519	S	S	*	.			trans	-167.5	83.7	-177.9	0	0	0	0	0	111.9	A101	A101-G103 PolarHBondContact O-N 2.97Å
104	G	35.7	Very low	59.6	Low	88 Å²	88	81.3 Å²	81.3	91%	0.907	55%	0.553	S	S	*	*			trans	54.7	113.9	149.5	0	0	0	0	0	120.8
105	G	35.1	Very low	59.5	Low	77 Å²	77	84.7 Å²	84.7	79%	0.794	57%	0.574	S	S	*	*			trans	133.9	109.2	145.3	0	0	0	0	0	116.7
106	N	35.9	Very low	59.5	Low	159 Å²	159	87.3 Å²	87.3	85%	0.85	59%	0.591	S	S	*	*			trans	50.9	108.7	161.1	-73	-5.9	0	0	0	120.3	A108	N106-A108 PolarHBondContact O-N 3.28Å
107	A	43.6	Very low	59.7	Low	110 Å²	110	89.4 Å²	89.4	91%	0.909	60%	0.601	S	S	*	*			trans	-70.3	54	168.7	0	0	0	0	0	113.8
108	A	45.4	Very low	60.2	Low	68 Å²	68	85.7 Å²	85.7	56%	0.562	60%	0.596	S	S	*	*			trans	-123.3	124.8	170.4	0	0	0	0	0	109.5	N106	N106-A108 PolarHBondContact O-N 3.28Å
109	T	49.3	Very low	61.1	Low	139 Å²	139	85.5 Å²	85.5	85%	0.853	59%	0.592	S	S	*	*			trans	72.6	59	175.1	66.6	0	0	0	0	118.5	C111	T109-C111 VanDerWaalsContact C-N 3.26Å; T109-C111 PolarHBondContact O-N 3.38Å
110	N	60.9	Low	62.8	Low	139 Å²	139	82.3 Å²	82.3	74%	0.743	58%	0.576	S	S	*	*			trans	-84.8	46.9	167.4	-79.4	-10.8	0	0	0	113.1
111	C	66.9	Low	64.8	Low	51 Å²	51	80.6 Å²	80.6	35%	0.345	56%	0.559	S	S	.	*			trans	-92.2	122.2	171.9	-166	0	0	0	0	109.4	T109 F113	T109-C111 VanDerWaalsContact C-N 3.26Å; T109-C111 PolarHBondContact O-N 3.38Å; C111-F113 PolarHBondContact O-N 3.31Å
112	P	74.3	Confident	67.3	Low	14 Å²	14	78.5 Å²	78.5	9%	0.091	54%	0.538	C	S	.	.	S	Bend	trans	-66.1	-19.7	177	24.3	-30.7	0	0	0	113.5	P60 F62 N95 P114	P60-P112 HydrophobicContact CB-CG 3.59Å; P60-P112 WeakPolarHBondContact O-CD 3.41Å; F62-P112 HydrophobicContact CD1-CB 3.75Å; F62-P112 HydrophobicContact CD2-CB 3.97Å; F62-P112 HydrophobicContact CE1-CB 3.46Å; F62-P112 VanDerWaalsContact CE1-CB 3.46Å; F62-P112 HydrophobicContact CE2-CB 3.71Å; F62-P112 HydrophobicContact CG-CB 4Å; F62-P112 HydrophobicContact CZ-CB 3.45Å; F62-P112 VanDerWaalsContact CZ-CB 3.45Å; N95-P112 HydrophobicContact CB-CB 4.37Å; N95-P112 HydrophobicContact CB-CG 4.35Å; P112-P114 WeakPolarHBondContact O-CD 3.46Å
113	F	82.1	Confident	69.9	Low	8 Å²	8	73.1 Å²	73.1	4%	0.035	49%	0.493	C	S	.	.			trans	-121.2	76.2	179.5	-53	-87.9	0	0	0	109.5	P60 T94 N95 C111 T115 Q117 H151 C152 Y153	P60-F113 HydrophobicContact CB-CD2 3.42Å; P60-F113 VanDerWaalsContact CB-CD2 3.42Å; P60-F113 HydrophobicContact CB-CE2 3.79Å; P60-F113 HydrophobicContact CG-CD2 3.84Å; P60-F113 HydrophobicContact CG-CE2 4.47Å; T94-F113 HydrophobicContact CG2-CE1 4.37Å; T94-F113 VanDerWaalsContact OG1-CE1 3.29Å; T94-F113 WeakPolarHBondContact OG1-CE1 3.32Å; T94-F113 WeakPolarHBondContact OG1-CZ 3.37Å; N95-F113 HydrophobicContact CB-CE2 3.95Å; N95-F113 HydrophobicContact CB-CZ 4.04Å; C111-F113 PolarHBondContact O-N 3.31Å; F113-T115 PolarHBondContact O-N 3.18Å; F113-Q117 HydrophobicContact CD1-CG 3.69Å; F113-Q117 HydrophobicContact CE1-CG 4.01Å; F113-H151 VanDerWaalsContact CB-O 3.31Å; F113-H151 WeakPolarHBondContact CB-O 3.47Å; F113-C152 HydrophobicContact CD1-CB 4.31Å; F113-C152 WeakPolarHBondContact CD1-O 3.1Å; F113-C152 HydrophobicContact CD2-CB 4.05Å; F113-C152 HydrophobicContact CE1-CB 4.23Å; F113-C152 HydrophobicContact CE2-CB 4.01Å; F113-C152 HydrophobicContact CG-CB 4.22Å; F113-C152 HydrophobicContact CZ-CB 4.08Å; F113-Y153 AromaticContact CE1-CE1 4Å; F113-Y153 HydrophobicContact CE1-CE1 4Å
114	P	75.2	Confident	72.6	Confident	111 Å²	111	72.7 Å²	72.7	72%	0.721	47%	0.474	S	S	*	.	S	Bend	trans	-62.5	-28.8	174.2	26.9	-33.9	0	0	0	111.3	P112	P112-P114 WeakPolarHBondContact O-CD 3.46Å
115	T	86.6	Confident	75.5	Confident	90 Å²	90	68.5 Å²	68.5	55%	0.552	43%	0.431	S	S	*	.	S	Bend	trans	-132.1	141.3	166.8	53.1	0	0	0	0	108.9	F113 Q117	F113-T115 PolarHBondContact O-N 3.18Å; T115-Q117 PolarHBondContact O-N 3.34Å; T115-Q117 PolarHBondContact O-NE2 3.18Å
116	P	90.1	Very high	78.3	Confident	54 Å²	54	64.8 Å²	64.8	35%	0.351	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-55.8	134	177	-23.6	33.4	0	0	0	111	G150 Y153 V154	P116-G150 VanDerWaalsContact CG-O 3.22Å; P116-G150 WeakPolarHBondContact CG-O 3.21Å; P116-Y153 VanDerWaalsContact CB-C 3.49Å; P116-V154 HydrophobicContact CB-CG2 4.08Å
117	Q	91.3	Very high	81.1	Confident	49 Å²	49	57.2 Å²	57.2	23%	0.229	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-81.6	134.4	-177.6	-63	-66.5	-61.9	0	0	110.2	F113 T115 C152 Y153 V154	F113-Q117 HydrophobicContact CD1-CG 3.69Å; F113-Q117 HydrophobicContact CE1-CG 4.01Å; T115-Q117 PolarHBondContact O-N 3.34Å; T115-Q117 PolarHBondContact O-NE2 3.18Å; Q117-C152 PolarHBondContact N-O 3.12Å; Q117-Y153 HydrophobicContact CB-CD1 4.03Å; Q117-Y153 HydrophobicContact CB-CE1 4.33Å; Q117-Y153 CarbonylContact O-C 3.59Å; Q117-Y153 VanDerWaalsContact O-CA 3.27Å; Q117-Y153 WeakPolarHBondContact O-CA 3.23Å; Q117-V154 PolarHBondContact O-N 3.26Å
118	P	93.2	Very high	83.5	Confident	74 Å²	74	52 Å²	52	48%	0.481	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-69.4	138.1	171.2	30.3	-33	0	0	0	109.6
119	L	94.4	Very high	85.6	Confident	18 Å²	18	48.8 Å²	48.8	9%	0.094	28%	0.282	C	S	.	.			trans	-105.5	150.8	165.3	-64.9	171.7	0	0	0	108.2	Y43 L92 H121 P123 Y153 D258	Y43-L119 HydrophobicContact CD1-CD1 4.37Å; Y43-L119 HydrophobicContact CD1-CD2 4.4Å; Y43-L119 HydrophobicContact CD2-CD1 3.81Å; Y43-L119 HydrophobicContact CE1-CD1 4.5Å; Y43-L119 HydrophobicContact CE1-CD2 4.22Å; Y43-L119 HydrophobicContact CE2-CB 4.12Å; Y43-L119 HydrophobicContact CE2-CD1 3.97Å; Y43-L119 HydrophobicContact CG-CD1 4.01Å; L92-L119 HydrophobicContact CD1-CD1 4.28Å; L92-L119 HydrophobicContact CD1-CD2 4.2Å; L92-L119 HydrophobicContact CD2-CD2 3.79Å; L119-H121 PolarHBondContact O-N 3.23Å; L119-P123 HydrophobicContact CD1-CG 3.84Å; L119-Y153 HydrophobicContact CD1-CD1 3.96Å; L119-Y153 HydrophobicContact CD1-CG 4.06Å; L119-Y153 HydrophobicContact CD2-CD1 4.06Å; L119-Y153 HydrophobicContact CD2-CE1 4.24Å; L119-Y153 HydrophobicContact CG-CD1 3.92Å; L119-Y153 HydrophobicContact CG-CG 4.44Å; L119-D258 WeakPolarHBondContact CA-OD1 3.31Å; L119-D258 HydrophobicContact CD2-CB 4.26Å
120	F	93.6	Very high	87.4	Confident	89 Å²	89	43.4 Å²	43.4	39%	0.39	25%	0.247	S	C	.	.	S	Bend	trans	-58.7	-39.8	-178.4	-171.2	-100.7	0	0	0	112	E254 D258	F120-E254 HydrophobicContact CD1-CG 4.36Å; F120-E254 HydrophobicContact CD2-CB 4.34Å; F120-E254 HydrophobicContact CD2-CG 3.84Å; F120-E254 HydrophobicContact CE1-CG 4.12Å; F120-E254 HydrophobicContact CE2-CG 3.59Å; F120-E254 HydrophobicContact CG-CB 4.35Å; F120-E254 HydrophobicContact CG-CG 4.22Å; F120-E254 HydrophobicContact CZ-CG 3.73Å; F120-E254 VanDerWaalsContact CZ-OE1 3.22Å; F120-E254 WeakPolarHBondContact CZ-OE1 3.38Å; F120-D258 PolarHBondContact N-OD1 3.07Å
121	H	92.9	Very high	88.4	Confident	71 Å²	71	39.9 Å²	39.9	33%	0.329	24%	0.238	S	C	.	.	S	Bend	trans	-108.8	122.7	167.4	-61.9	-51.2	0	0	0	109.6	T11 T41 Y43 L119 P123	T11-H121 HydrophobicContact CG2-CB 3.86Å; T41-H121 PolarHBondContact OG1-CD2 3.16Å; Y43-H121 HydrophobicContact CE2-CB 4.32Å; Y43-H121 VanDerWaalsContact CE2-O 3.28Å; Y43-H121 WeakPolarHBondContact CE2-O 3.27Å; Y43-H121 PolarHBondContact OH-N 3.29Å; Y43-H121 VanDerWaalsContact OH-N 3.12Å; L119-H121 PolarHBondContact O-N 3.23Å; H121-P123 WeakPolarHBondContact O-CD 3.46Å
122	S	92.3	Very high	89.1	Confident	54 Å²	54	39.2 Å²	39.2	38%	0.378	23%	0.23	S	C	.	.			trans	-63.2	128.5	175	177.6	0	0	0	0	110	G156	S122-G156 PolarHBondContact OG-N 3.49Å
123	P	93.9	Very high	89.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.269	C	S	.	.			trans	-66.9	136.8	174.8	-20.6	32.8	0	0	0	112.6	I13 Y43 L119 H121 G156 I159	I13-P123 HydrophobicContact CB-CB 4.34Å; I13-P123 HydrophobicContact CB-CG 4.33Å; I13-P123 HydrophobicContact CG2-CB 3.96Å; I13-P123 HydrophobicContact CG2-CG 4.24Å; Y43-P123 HydrophobicContact CD2-CG 4.41Å; L119-P123 HydrophobicContact CD1-CG 3.84Å; H121-P123 WeakPolarHBondContact O-CD 3.46Å; P123-G156 PolarHBondContact O-N 3.31Å; P123-I159 HydrophobicContact CB-CD1 4.06Å
124	D	93	Very high	88.9	Confident	63 Å²	63	50 Å²	50	34%	0.337	28%	0.282	S	S	.	.	S	Bend	trans	-95	-26.7	173.7	-52.8	-50	0	0	0	111.6	F9 S10 T11 S160	F9-D124 HydrophobicContact CB-CB 4.26Å; F9-D124 HydrophobicContact CD1-CB 3.94Å; S10-D124 PolarHBondContact N-OD2 3.38Å; T11-D124 PolarHBondContact N-OD2 2.84Å; T11-D124 PolarHBondContact O-N 3.44Å; D124-S160 PolarHBondContact O-N 3.32Å
125	V	94.8	Very high	89	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	142.8	-176.4	67.4	0	0	0	0	112.1	F9 T11 G12 I13 V38 L127 S160 V162	F9-V125 HydrophobicContact CB-CB 4.3Å; F9-V125 HydrophobicContact CB-CG1 3.75Å; F9-V125 HydrophobicContact CD1-CB 3.94Å; F9-V125 HydrophobicContact CD1-CG1 4.34Å; F9-V125 HydrophobicContact CD2-CB 3.82Å; F9-V125 HydrophobicContact CD2-CG1 3.75Å; F9-V125 HydrophobicContact CD2-CG2 4.03Å; F9-V125 HydrophobicContact CE1-CB 4.19Å; F9-V125 HydrophobicContact CE2-CB 4.08Å; F9-V125 HydrophobicContact CE2-CG1 4.45Å; F9-V125 HydrophobicContact CE2-CG2 3.89Å; F9-V125 HydrophobicContact CG-CB 3.74Å; F9-V125 HydrophobicContact CG-CG1 3.68Å; F9-V125 HydrophobicContact CG-CG2 4.44Å; F9-V125 HydrophobicContact CZ-CB 4.26Å; F9-V125 HydrophobicContact CZ-CG2 4.17Å; T11-V125 PolarHBondContact O-N 2.92Å; G12-V125 CarbonylContact C-O 3.54Å; G12-V125 VanDerWaalsContact CA-O 3.32Å; G12-V125 WeakPolarHBondContact CA-O 3.45Å; I13-V125 PolarHBondContact N-O 3.16Å; V38-V125 HydrophobicContact CG2-CG1 4.06Å; V125-L127 HydrophobicContact CG1-CD2 4.25Å; V125-L127 HydrophobicContact CG1-CG 4.43Å; V125-L127 HydrophobicContact CG2-CD2 3.75Å; V125-S160 CarbonylContact C-O 3.56Å; V125-S160 VanDerWaalsContact CA-O 3.3Å; V125-S160 WeakPolarHBondContact CA-O 3.33Å; V125-S160 WeakPolarHBondContact CG2-O 3.44Å; V125-V162 HydrophobicContact CG2-CG2 3.88Å
126	V	95.4	Very high	88.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.4	167.4	-167.6	0	0	0	0	109.9	I13 V15 L145 T149 I159 S160 S161 V162	I13-V126 HydrophobicContact CG2-CB 4.19Å; I13-V126 HydrophobicContact CG2-CG1 4.03Å; I13-V126 HydrophobicContact CG2-CG2 3.87Å; I13-V126 CarbonylContact O-C 3.55Å; I13-V126 WeakPolarHBondContact O-CA 3.26Å; V15-V126 HydrophobicContact CG2-CG1 3.85Å; V126-L145 HydrophobicContact CB-CD2 4.27Å; V126-L145 HydrophobicContact CB-CG 4.22Å; V126-L145 HydrophobicContact CG1-CD1 3.76Å; V126-L145 HydrophobicContact CG1-CD2 3.73Å; V126-L145 HydrophobicContact CG1-CG 3.52Å; V126-T149 HydrophobicContact CG1-CG2 4.44Å; V126-T149 WeakPolarHBondContact CG1-OG1 3.42Å; V126-T149 HydrophobicContact CG2-CG2 3.76Å; V126-I159 HydrophobicContact CG2-CD1 3.3Å; V126-I159 HydrophobicContact CG2-CG1 3.81Å; V126-S160 PolarHBondContact N-O 3.22Å; V126-S161 CarbonylContact O-C 3.59Å; V126-S161 VanDerWaalsContact O-CA 3.27Å; V126-S161 WeakPolarHBondContact O-CA 3.33Å; V126-V162 PolarHBondContact O-N 3.29Å
127	L	94.9	Very high	88.3	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	151.8	176.6	-50.2	178.2	0	0	0	109.3	I13 L14 V15 A34 L37 V38 L42 V125 V162 L164	I13-L127 PolarHBondContact O-N 3.17Å; L14-L127 CarbonylContact C-O 3.54Å; L14-L127 WeakPolarHBondContact CA-O 3.48Å; L14-L127 HydrophobicContact CB-CB 4.42Å; L14-L127 HydrophobicContact CD1-CB 3.84Å; V15-L127 PolarHBondContact N-O 2.87Å; A34-L127 HydrophobicContact CB-CD1 3.55Å; L37-L127 HydrophobicContact CD1-CD2 3.82Å; V38-L127 HydrophobicContact CG2-CD1 4.06Å; L42-L127 HydrophobicContact CD1-CD1 4.17Å; V125-L127 HydrophobicContact CG1-CD2 4.25Å; V125-L127 HydrophobicContact CG1-CG 4.43Å; V125-L127 HydrophobicContact CG2-CD2 3.75Å; L127-V162 WeakPolarHBondContact CA-O 3.33Å; L127-V162 HydrophobicContact CD2-CB 3.67Å; L127-V162 HydrophobicContact CD2-CG1 4.44Å; L127-V162 HydrophobicContact CD2-CG2 4.15Å; L127-L164 HydrophobicContact CB-CD1 4.01Å; L127-L164 HydrophobicContact CB-CG 4.25Å; L127-L164 HydrophobicContact CD1-CD1 4.45Å; L127-L164 HydrophobicContact CD2-CD2 4.39Å
128	T	92.8	Very high	87.9	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	152.6	170.2	-173	0	0	0	0	112.1	V15 T17 F130 L145 V162 L163 L164	V15-T128 WeakPolarHBondContact O-CA 3.37Å; V15-T128 WeakPolarHBondContact O-CB 3.42Å; V15-T128 PolarHBondContact O-OG1 3.19Å; T17-T128 WeakPolarHBondContact CG2-OG1 3.27Å; T128-F130 VanDerWaalsContact C-N 3.3Å; T128-F130 HydrophobicContact CG2-CB 3.77Å; T128-F130 PolarHBondContact OG1-N 3.33Å; T128-L145 HydrophobicContact CG2-CD2 3.51Å; T128-V162 PolarHBondContact N-O 3Å; T128-L163 HydrophobicContact CG2-CD2 3.31Å; T128-L164 WeakPolarHBondContact O-CB 3.38Å; T128-L164 PolarHBondContact O-N 3.38Å
129	D	90.6	Very high	87.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.293	C	S	.	.			trans	-89.2	8	172.6	71	-31.3	0	0	0	113.3	L16 T17 S18 R26 V30 A131	L16-D129 WeakPolarHBondContact CA-OD1 3.5Å; L16-D129 HydrophobicContact CD2-CB 4.12Å; T17-D129 PolarHBondContact N-OD1 2.97Å; T17-D129 PolarHBondContact OG1-OD1 3.1Å; S18-D129 WeakPolarHBondContact CB-OD2 3.32Å; S18-D129 PolarHBondContact N-OD2 2.94Å; S18-D129 PolarHBondContact OG-OD2 3.49Å; R26-D129 PolarHBondContact NH1-O 2.95Å; R26-D129 IonicContact NH1-OD2 2.77Å; R26-D129 PolarHBondContact NH2-O 3.2Å; V30-D129 HydrophobicContact CG1-CB 4.23Å; V30-D129 HydrophobicContact CG2-CB 3.78Å; D129-A131 PolarHBondContact O-N 3.43Å
130	F	86.8	Confident	87.2	Confident	26 Å²	26	58.1 Å²	58.1	11%	0.114	31%	0.307	C	S	.	.			trans	-56.5	122.3	-177.3	-171.8	-93.9	0	0	0	111.4	T17 L52 T53 T128 L132 V141	T17-F130 WeakPolarHBondContact OG1-CA 3.37Å; T17-F130 PolarHBondContact OG1-N 3.29Å; L52-F130 HydrophobicContact CB-CD2 4.32Å; L52-F130 HydrophobicContact CB-CE1 4.4Å; L52-F130 HydrophobicContact CB-CE2 4.13Å; L52-F130 HydrophobicContact CB-CZ 4.18Å; L52-F130 HydrophobicContact CD1-CB 4.17Å; L52-F130 HydrophobicContact CD1-CD2 4.07Å; L52-F130 HydrophobicContact CD1-CG 4.01Å; L52-F130 HydrophobicContact CG-CD2 4.2Å; L52-F130 HydrophobicContact CG-CE2 4.38Å; T53-F130 HydrophobicContact CG2-CE1 3.71Å; T53-F130 HydrophobicContact CG2-CZ 3.78Å; T128-F130 VanDerWaalsContact C-N 3.3Å; T128-F130 HydrophobicContact CG2-CB 3.77Å; T128-F130 PolarHBondContact OG1-N 3.33Å; F130-L132 PolarHBondContact O-N 2.69Å; F130-V141 HydrophobicContact CD1-CG1 3.96Å; F130-V141 HydrophobicContact CE1-CG1 4.37Å; F130-V141 HydrophobicContact CE1-CG2 4.3Å
131	A	81.9	Confident	86.9	Confident	66 Å²	66	53.9 Å²	53.9	55%	0.545	29%	0.289	S	S	.	.			trans	-82.6	110.1	179.7	0	0	0	0	0	110.4	D129	D129-A131 PolarHBondContact O-N 3.43Å
132	L	80.4	Confident	86.7	Confident	37 Å²	37	52.8 Å²	52.8	19%	0.194	28%	0.284	C	S	.	.			trans	-69	129.8	172.1	-79.6	168.3	0	0	0	110.7	F130 Q137 V141 L163	F130-L132 PolarHBondContact O-N 2.69Å; L132-Q137 HydrophobicContact CD2-CB 4.43Å; L132-V141 HydrophobicContact CD2-CB 4.33Å; L132-V141 HydrophobicContact CD2-CG2 3.78Å; L132-L163 HydrophobicContact CD1-CD1 3.32Å; L132-L163 HydrophobicContact CD2-CD1 4.28Å; L132-L163 HydrophobicContact CG-CD1 3.85Å
133	Q	76.3	Confident	86.5	Confident	192 Å²	192	55.4 Å²	55.4	90%	0.897	29%	0.29	S	S	*	.	S	Bend	trans	-87.9	-30.1	170.3	-65.6	-177.5	-11.2	0	0	112
134	D	76.5	Confident	86.2	Confident	57 Å²	57	56.3 Å²	56.3	31%	0.305	30%	0.296	S	S	.	.			trans	-129.9	116.1	179.7	179.1	5	0	0	0	109.9	H136 Q137	D134-H136 PolarHBondContact O-N 2.98Å; D134-H136 VanDerWaalsContact O-N 3.16Å; D134-H136 WeakPolarHBondContact OD1-CB 3.37Å; D134-H136 IonicContact OD1-CD2 3.46Å; D134-H136 PolarHBondContact OD1-CD2 3.06Å; D134-H136 VanDerWaalsContact OD1-CD2 3.29Å; D134-H136 IonicContact OD1-CG 3.37Å; D134-H136 PolarHBondContact OD1-N 2.85Å; D134-Q137 HydrophobicContact CB-CG 4.16Å; D134-Q137 PolarHBondContact O-N 3.13Å; D134-Q137 VanDerWaalsContact O-N 3.1Å
135	P	77.8	Confident	86.1	Confident	102 Å²	102	53.3 Å²	53.3	66%	0.662	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-56.6	-27.7	178.4	-25.4	34.5	0	0	0	114.2	Q137 S138	P135-Q137 PolarHBondContact O-N 3.14Å; P135-S138 WeakPolarHBondContact O-CB 3.44Å; P135-S138 PolarHBondContact O-N 2.91Å
136	H	79.1	Confident	86	Confident	173 Å²	173	56.1 Å²	56.1	80%	0.801	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-66.8	-17.8	179.7	-66.5	-69.2	0	0	0	113.2	D134	D134-H136 PolarHBondContact O-N 2.98Å; D134-H136 VanDerWaalsContact O-N 3.16Å; D134-H136 WeakPolarHBondContact OD1-CB 3.37Å; D134-H136 IonicContact OD1-CD2 3.46Å; D134-H136 PolarHBondContact OD1-CD2 3.06Å; D134-H136 VanDerWaalsContact OD1-CD2 3.29Å; D134-H136 IonicContact OD1-CG 3.37Å; D134-H136 PolarHBondContact OD1-N 2.85Å
137	Q	82.4	Confident	85.7	Confident	62 Å²	62	61.5 Å²	61.5	29%	0.29	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-89.3	-2.4	179.7	-61	-179.3	11.8	0	0	113.7	T53 L132 D134 P135 N139 Q140 V141	T53-Q137 VanDerWaalsContact CG2-OE1 3.3Å; L132-Q137 HydrophobicContact CD2-CB 4.43Å; D134-Q137 HydrophobicContact CB-CG 4.16Å; D134-Q137 PolarHBondContact O-N 3.13Å; D134-Q137 VanDerWaalsContact O-N 3.1Å; P135-Q137 PolarHBondContact O-N 3.14Å; Q137-N139 PolarHBondContact O-N 2.78Å; Q137-Q140 WeakPolarHBondContact O-CB 3.35Å; Q137-Q140 PolarHBondContact O-N 3.04Å; Q137-V141 WeakPolarHBondContact O-CG2 3.5Å; Q137-V141 PolarHBondContact O-N 2.71Å
138	S	83.5	Confident	85.5	Confident	29 Å²	29	61.6 Å²	61.6	20%	0.203	32%	0.317	C	S	.	.	H	α-helix	trans	-52.9	-48.4	-174.6	-175.5	0	0	0	0	113.2	P135 Q140 V141 Q142	P135-S138 WeakPolarHBondContact O-CB 3.44Å; P135-S138 PolarHBondContact O-N 2.91Å; S138-Q140 VanDerWaalsContact C-N 3.32Å; S138-Q140 PolarHBondContact O-N 2.7Å; S138-V141 PolarHBondContact O-N 2.82Å; S138-Q142 WeakPolarHBondContact O-CB 3.38Å; S138-Q142 WeakPolarHBondContact O-CG 3.42Å; S138-Q142 PolarHBondContact O-N 2.77Å
139	N	85.2	Confident	85.4	Confident	113 Å²	113	61.6 Å²	61.6	60%	0.604	32%	0.317	S	S	*	.	H	α-helix	trans	-63.4	-36.8	179.5	-72.3	-18	0	0	0	112.7	Q137 Q143	Q137-N139 PolarHBondContact O-N 2.78Å; N139-Q143 WeakPolarHBondContact O-CG 3.17Å; N139-Q143 PolarHBondContact O-N 3.47Å; N139-Q143 VanDerWaalsContact O-N 3.08Å
140	Q	86.7	Confident	85.4	Confident	86 Å²	86	63 Å²	63	40%	0.402	33%	0.332	S	S	.	.	H	α-helix	trans	-68.6	-44.7	178.1	-177.8	-178.8	-4.3	0	0	110.7	Q137 S138 Q142 Q143 C144	Q137-Q140 WeakPolarHBondContact O-CB 3.35Å; Q137-Q140 PolarHBondContact O-N 3.04Å; S138-Q140 VanDerWaalsContact C-N 3.32Å; S138-Q140 PolarHBondContact O-N 2.7Å; Q140-Q142 VanDerWaalsContact C-N 3.34Å; Q140-Q142 PolarHBondContact O-N 3.36Å; Q140-Q143 PolarHBondContact O-N 2.9Å; Q140-C144 WeakPolarHBondContact O-CB 3.17Å; Q140-C144 PolarHBondContact O-N 2.77Å; Q140-C144 PolarHBondContact O-SG 3.17Å; Q140-C144 VanDerWaalsContact O-SG 3.36Å
141	V	87.1	Confident	85.6	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.006	35%	0.346	C	S	.	.	H	α-helix	trans	-61.6	-44.1	177.5	172.4	0	0	0	0	110.8	L52 T53 F130 L132 Q137 S138 C144 L145 L163	L52-V141 HydrophobicContact CB-CB 4.5Å; L52-V141 HydrophobicContact CB-CG1 3.82Å; L52-V141 HydrophobicContact CB-CG2 4.37Å; L52-V141 HydrophobicContact CD1-CG1 3.83Å; L52-V141 HydrophobicContact CG-CG1 4.49Å; T53-V141 HydrophobicContact CG2-CG2 3.85Å; F130-V141 HydrophobicContact CD1-CG1 3.96Å; F130-V141 HydrophobicContact CE1-CG1 4.37Å; F130-V141 HydrophobicContact CE1-CG2 4.3Å; L132-V141 HydrophobicContact CD2-CB 4.33Å; L132-V141 HydrophobicContact CD2-CG2 3.78Å; Q137-V141 WeakPolarHBondContact O-CG2 3.5Å; Q137-V141 PolarHBondContact O-N 2.71Å; S138-V141 PolarHBondContact O-N 2.82Å; V141-C144 PolarHBondContact O-N 2.96Å; V141-L145 VanDerWaalsContact O-CB 3.31Å; V141-L145 WeakPolarHBondContact O-CB 3.32Å; V141-L145 PolarHBondContact O-N 3.41Å; V141-L163 HydrophobicContact CB-CD1 4.42Å; V141-L163 HydrophobicContact CG1-CD1 4.15Å; V141-L163 HydrophobicContact CG1-CD2 3.79Å
142	Q	88.8	Confident	86.1	Confident	47 Å²	47	63 Å²	63	22%	0.22	32%	0.32	C	S	.	.	H	α-helix	trans	-56.5	-52.4	175.2	-82.3	-179.7	-5.4	0	0	112.2	S138 Q140 C144 L145 E146 S161 L163	S138-Q142 WeakPolarHBondContact O-CB 3.38Å; S138-Q142 WeakPolarHBondContact O-CG 3.42Å; S138-Q142 PolarHBondContact O-N 2.77Å; Q140-Q142 VanDerWaalsContact C-N 3.34Å; Q140-Q142 PolarHBondContact O-N 3.36Å; Q142-C144 VanDerWaalsContact C-N 3.33Å; Q142-C144 PolarHBondContact O-N 2.82Å; Q142-L145 WeakPolarHBondContact O-CB 3.32Å; Q142-L145 PolarHBondContact O-N 3.01Å; Q142-L145 VanDerWaalsContact O-N 3.15Å; Q142-E146 WeakPolarHBondContact O-CG 3.42Å; Q142-E146 PolarHBondContact O-N 3.16Å; Q142-S161 VanDerWaalsContact CA-OG 3.29Å; Q142-S161 WeakPolarHBondContact CA-OG 3.4Å; Q142-S161 WeakPolarHBondContact CB-OG 3.49Å; Q142-S161 WeakPolarHBondContact CG-OG 3.34Å; Q142-S161 PolarHBondContact O-OG 3.03Å; Q142-L163 HydrophobicContact CG-CD1 4.32Å; Q142-L163 HydrophobicContact CG-CD2 4.36Å; Q142-L163 HydrophobicContact CG-CG 4.08Å
143	Q	88.3	Confident	86.7	Confident	109 Å²	109	61.3 Å²	61.3	51%	0.509	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-36.9	177.2	-71.1	177.9	6	0	0	113.1	N139 Q140 L145 K147	N139-Q143 WeakPolarHBondContact O-CG 3.17Å; N139-Q143 PolarHBondContact O-N 3.47Å; N139-Q143 VanDerWaalsContact O-N 3.08Å; Q140-Q143 PolarHBondContact O-N 2.9Å; Q143-L145 VanDerWaalsContact C-N 3.35Å; Q143-K147 WeakPolarHBondContact O-CG 3.45Å; Q143-K147 PolarHBondContact O-N 3.02Å; Q143-K147 VanDerWaalsContact O-N 3.14Å
144	C	89.1	Confident	87.5	Confident	20 Å²	20	55.8 Å²	55.8	14%	0.135	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-42.2	174.8	-79	0	0	0	0	111.3	L52 Q140 V141 Q142 Y148	L52-C144 HydrophobicContact CD2-CB 4.45Å; Q140-C144 WeakPolarHBondContact O-CB 3.17Å; Q140-C144 PolarHBondContact O-N 2.77Å; Q140-C144 PolarHBondContact O-SG 3.17Å; Q140-C144 VanDerWaalsContact O-SG 3.36Å; V141-C144 PolarHBondContact O-N 2.96Å; Q142-C144 VanDerWaalsContact C-N 3.33Å; Q142-C144 PolarHBondContact O-N 2.82Å; C144-Y148 VanDerWaalsContact O-CB 3.24Å; C144-Y148 WeakPolarHBondContact O-CB 3.37Å; C144-Y148 PolarHBondContact O-N 3.48Å
145	L	90.5	Very high	88.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-43.3	178.8	-179.4	63.7	0	0	0	111.9	V15 L52 V126 T128 V141 Q142 Q143 Y148 T149	V15-L145 HydrophobicContact CB-CD1 3.96Å; V15-L145 HydrophobicContact CG1-CD1 4.24Å; V15-L145 HydrophobicContact CG2-CD1 3.92Å; L52-L145 HydrophobicContact CD1-CB 4.36Å; L52-L145 HydrophobicContact CD1-CD1 4.27Å; V126-L145 HydrophobicContact CB-CD2 4.27Å; V126-L145 HydrophobicContact CB-CG 4.22Å; V126-L145 HydrophobicContact CG1-CD1 3.76Å; V126-L145 HydrophobicContact CG1-CD2 3.73Å; V126-L145 HydrophobicContact CG1-CG 3.52Å; T128-L145 HydrophobicContact CG2-CD2 3.51Å; V141-L145 VanDerWaalsContact O-CB 3.31Å; V141-L145 WeakPolarHBondContact O-CB 3.32Å; V141-L145 PolarHBondContact O-N 3.41Å; Q142-L145 WeakPolarHBondContact O-CB 3.32Å; Q142-L145 PolarHBondContact O-N 3.01Å; Q142-L145 VanDerWaalsContact O-N 3.15Å; Q143-L145 VanDerWaalsContact C-N 3.35Å; L145-Y148 PolarHBondContact O-N 2.85Å; L145-T149 WeakPolarHBondContact O-CB 3.23Å; L145-T149 PolarHBondContact O-N 3.48Å; L145-T149 PolarHBondContact O-OG1 2.57Å
146	E	91.5	Very high	88.3	Confident	59 Å²	59	50.6 Å²	50.6	28%	0.276	26%	0.264	S	S	.	.	H	α-helix	trans	-59.6	-48.5	175.5	-70.6	166.1	-167.7	0	0	111.4	Q142 T149 G150 I159 S161	Q142-E146 WeakPolarHBondContact O-CG 3.42Å; Q142-E146 PolarHBondContact O-N 3.16Å; E146-T149 PolarHBondContact O-N 3.36Å; E146-G150 PolarHBondContact O-N 3.15Å; E146-I159 HydrophobicContact CB-CG2 4.34Å; E146-I159 HydrophobicContact CG-CG2 4.31Å; E146-S161 WeakPolarHBondContact OE1-CB 3.46Å; E146-S161 PolarHBondContact OE1-N 3.07Å; E146-S161 PolarHBondContact OE1-OG 3.48Å
147	K	89.5	Confident	88.2	Confident	112 Å²	112	49.1 Å²	49.1	49%	0.487	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-44.2	177.4	-71.8	173.1	-174.7	170.2	0	112	Q143 T149 G150 H151	Q143-K147 WeakPolarHBondContact O-CG 3.45Å; Q143-K147 PolarHBondContact O-N 3.02Å; Q143-K147 VanDerWaalsContact O-N 3.14Å; K147-T149 VanDerWaalsContact C-N 3.35Å; K147-T149 PolarHBondContact O-N 3.05Å; K147-G150 PolarHBondContact O-N 3.36Å; K147-H151 PolarHBondContact O-N 3Å; K147-H151 PolarHBondContact O-ND1 3.41Å
148	Y	90.5	Very high	88	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-57.4	-49.7	176.9	172	-94.3	0	0	0	110.9	V15 H45 H47 L50 P58 P60 C144 L145 G150 H151 C152	V15-Y148 HydrophobicContact CG1-CE1 4.22Å; H45-Y148 PolarHBondContact NE2-OH 2.92Å; H47-Y148 AromaticContact CD2-CZ 3.98Å; H47-Y148 PolarHBondContact CD2-OH 3.38Å; L50-Y148 HydrophobicContact CD1-CD2 4.49Å; L50-Y148 HydrophobicContact CD1-CE2 4.22Å; L50-Y148 HydrophobicContact CD2-CD1 4.26Å; L50-Y148 HydrophobicContact CD2-CD2 4.48Å; L50-Y148 HydrophobicContact CD2-CE1 4.14Å; L50-Y148 HydrophobicContact CD2-CE2 4.33Å; L50-Y148 HydrophobicContact CD2-CG 4.45Å; P58-Y148 HydrophobicContact CB-CD2 4.07Å; P58-Y148 HydrophobicContact CG-CD2 4.28Å; P60-Y148 HydrophobicContact CB-CE2 4.26Å; P60-Y148 HydrophobicContact CG-CD2 4.44Å; P60-Y148 HydrophobicContact CG-CE2 3.96Å; C144-Y148 VanDerWaalsContact O-CB 3.24Å; C144-Y148 WeakPolarHBondContact O-CB 3.37Å; C144-Y148 PolarHBondContact O-N 3.48Å; L145-Y148 PolarHBondContact O-N 2.85Å; Y148-G150 PolarHBondContact O-N 3.06Å; Y148-H151 WeakPolarHBondContact O-CB 3.41Å; Y148-H151 PolarHBondContact O-N 2.86Å; Y148-H151 VanDerWaalsContact O-N 3.16Å; Y148-C152 PolarHBondContact O-N 2.89Å; Y148-C152 PolarHBondContact O-SG 3.03Å; Y148-C152 VanDerWaalsContact O-SG 3.38Å
149	T	91.5	Very high	88.2	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-65.8	-39	180	-58.3	0	0	0	0	111.7	I13 V126 L145 E146 K147 H151 C152 Y153	I13-T149 HydrophobicContact CD1-CG2 4.19Å; I13-T149 HydrophobicContact CG2-CG2 3.68Å; V126-T149 HydrophobicContact CG1-CG2 4.44Å; V126-T149 WeakPolarHBondContact CG1-OG1 3.42Å; V126-T149 HydrophobicContact CG2-CG2 3.76Å; L145-T149 WeakPolarHBondContact O-CB 3.23Å; L145-T149 PolarHBondContact O-N 3.48Å; L145-T149 PolarHBondContact O-OG1 2.57Å; E146-T149 PolarHBondContact O-N 3.36Å; K147-T149 VanDerWaalsContact C-N 3.35Å; K147-T149 PolarHBondContact O-N 3.05Å; T149-H151 PolarHBondContact O-N 3.49Å; T149-C152 PolarHBondContact O-N 2.99Å; T149-Y153 HydrophobicContact CG2-CD2 4.32Å; T149-Y153 PolarHBondContact O-N 3.36Å
150	G	90.9	Very high	88.4	Confident	30 Å²	30	46.5 Å²	46.5	31%	0.309	28%	0.277	S	S	.	.	H	α-helix	trans	-63.7	-24.7	174.4	0	0	0	0	0	114.3	P116 E146 K147 Y148	P116-G150 VanDerWaalsContact CG-O 3.22Å; P116-G150 WeakPolarHBondContact CG-O 3.21Å; E146-G150 PolarHBondContact O-N 3.15Å; K147-G150 PolarHBondContact O-N 3.36Å; Y148-G150 PolarHBondContact O-N 3.06Å
151	H	89.9	Confident	88.6	Confident	90 Å²	90	42.9 Å²	42.9	42%	0.417	26%	0.261	S	S	.	.	H	α-helix	trans	-77	-30.5	169.4	-66.3	145.1	0	0	0	112.6	P60 F113 K147 Y148 T149	P60-H151 HydrophobicContact CG-CB 4.47Å; F113-H151 VanDerWaalsContact CB-O 3.31Å; F113-H151 WeakPolarHBondContact CB-O 3.47Å; K147-H151 PolarHBondContact O-N 3Å; K147-H151 PolarHBondContact O-ND1 3.41Å; Y148-H151 WeakPolarHBondContact O-CB 3.41Å; Y148-H151 PolarHBondContact O-N 2.86Å; Y148-H151 VanDerWaalsContact O-N 3.16Å; T149-H151 PolarHBondContact O-N 3.49Å
152	C	91.8	Very high	88.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-81.4	-43.2	179.9	-63.6	0	0	0	0	112.5	P60 F113 Q117 Y148 T149	P60-C152 WeakPolarHBondContact CG-SG 3.39Å; F113-C152 HydrophobicContact CD1-CB 4.31Å; F113-C152 WeakPolarHBondContact CD1-O 3.1Å; F113-C152 HydrophobicContact CD2-CB 4.05Å; F113-C152 HydrophobicContact CE1-CB 4.23Å; F113-C152 HydrophobicContact CE2-CB 4.01Å; F113-C152 HydrophobicContact CG-CB 4.22Å; F113-C152 HydrophobicContact CZ-CB 4.08Å; Q117-C152 PolarHBondContact N-O 3.12Å; Y148-C152 PolarHBondContact O-N 2.89Å; Y148-C152 PolarHBondContact O-SG 3.03Å; Y148-C152 VanDerWaalsContact O-SG 3.38Å; T149-C152 PolarHBondContact O-N 2.99Å
153	Y	94.2	Very high	88.7	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.008	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-139.4	148.9	-166.5	-56	-72.6	0	0	0	112.9	I13 H45 L92 T94 F113 P116 Q117 L119 T149 C155	I13-Y153 HydrophobicContact CD1-CD2 3.38Å; I13-Y153 HydrophobicContact CD1-CE2 3.48Å; I13-Y153 VanDerWaalsContact CD1-CE2 3.48Å; I13-Y153 HydrophobicContact CD1-CG 4.23Å; H45-Y153 HydrophobicContact CB-CE2 4.48Å; H45-Y153 AromaticContact ND1-CE2 3.74Å; H45-Y153 AromaticContact ND1-CZ 3.8Å; H45-Y153 PolarHBondContact ND1-OH 2.72Å; L92-Y153 HydrophobicContact CD1-CD1 4.46Å; L92-Y153 HydrophobicContact CD1-CE1 3.72Å; L92-Y153 HydrophobicContact CD1-CE2 3.83Å; L92-Y153 VanDerWaalsContact CD1-OH 3.31Å; L92-Y153 WeakPolarHBondContact CD1-OH 3.49Å; T94-Y153 HydrophobicContact CG2-CE1 4.19Å; T94-Y153 PolarHBondContact OG1-OH 2.67Å; F113-Y153 AromaticContact CE1-CE1 4Å; F113-Y153 HydrophobicContact CE1-CE1 4Å; P116-Y153 VanDerWaalsContact CB-C 3.49Å; Q117-Y153 HydrophobicContact CB-CD1 4.03Å; Q117-Y153 HydrophobicContact CB-CE1 4.33Å; Q117-Y153 CarbonylContact O-C 3.59Å; Q117-Y153 VanDerWaalsContact O-CA 3.27Å; Q117-Y153 WeakPolarHBondContact O-CA 3.23Å; L119-Y153 HydrophobicContact CD1-CD1 3.96Å; L119-Y153 HydrophobicContact CD1-CG 4.06Å; L119-Y153 HydrophobicContact CD2-CD1 4.06Å; L119-Y153 HydrophobicContact CD2-CE1 4.24Å; L119-Y153 HydrophobicContact CG-CD1 3.92Å; L119-Y153 HydrophobicContact CG-CG 4.44Å; T149-Y153 HydrophobicContact CG2-CD2 4.32Å; T149-Y153 PolarHBondContact O-N 3.36Å; Y153-C155 PolarHBondContact O-N 2.88Å; Y153-C155 PolarHBondContact O-SG 3.45Å
154	V	93.1	Very high	88.6	Confident	77 Å²	77	38.3 Å²	38.3	47%	0.467	24%	0.243	S	C	.	.			trans	-69.7	119.6	170	-177.8	0	0	0	0	108.3	P116 Q117	P116-V154 HydrophobicContact CB-CG2 4.08Å; Q117-V154 PolarHBondContact O-N 3.26Å
155	C	90.3	Very high	87.9	Confident	31 Å²	31	43.7 Å²	43.7	21%	0.209	27%	0.266	C	S	.	.			trans	-117.5	160.7	-175.2	-63.6	0	0	0	0	111.3	Y153 I159	Y153-C155 PolarHBondContact O-N 2.88Å; Y153-C155 PolarHBondContact O-SG 3.45Å; C155-I159 HydrophobicContact CB-CB 4.29Å; C155-I159 HydrophobicContact CB-CD1 3.72Å; C155-I159 HydrophobicContact CB-CG2 4.42Å
156	G	81.6	Confident	86.6	Confident	18 Å²	18	44.5 Å²	44.5	19%	0.186	27%	0.271	C	S	.	.			trans	-64	156.7	174.2	0	0	0	0	0	112.5	S122 P123 G158 I159	S122-G156 PolarHBondContact OG-N 3.49Å; P123-G156 PolarHBondContact O-N 3.31Å; G156-G158 PolarHBondContact O-N 3.37Å; G156-I159 PolarHBondContact O-N 3.01Å
157	P	76.3	Confident	84.8	Confident	142 Å²	142	50.2 Å²	50.2	92%	0.922	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	121.8	175.8	26.6	-32.6	0	0	0	110.1
158	G	77.4	Confident	83	Confident	73 Å²	73	51.2 Å²	51.2	75%	0.753	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	39.2	179.4	0	0	0	0	0	114.3	G156 S160	G156-G158 PolarHBondContact O-N 3.37Å; G158-S160 PolarHBondContact O-N 3.14Å
159	I	87.9	Confident	80.7	Confident	23 Å²	23	56.7 Å²	56.7	12%	0.118	34%	0.341	C	S	.	.			trans	-50.2	129	175.1	-166.2	165.6	0	0	0	111.1	P123 V126 E146 C155 G156	P123-I159 HydrophobicContact CB-CD1 4.06Å; V126-I159 HydrophobicContact CG2-CD1 3.3Å; V126-I159 HydrophobicContact CG2-CG1 3.81Å; E146-I159 HydrophobicContact CB-CG2 4.34Å; E146-I159 HydrophobicContact CG-CG2 4.31Å; C155-I159 HydrophobicContact CB-CB 4.29Å; C155-I159 HydrophobicContact CB-CD1 3.72Å; C155-I159 HydrophobicContact CB-CG2 4.42Å; G156-I159 PolarHBondContact O-N 3.01Å
160	S	89.4	Confident	77.9	Confident	53 Å²	53	65.2 Å²	65.2	37%	0.371	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	152.8	178.2	-65.6	0	0	0	0	110.5	D124 V125 V126 G158	D124-S160 PolarHBondContact O-N 3.32Å; V125-S160 CarbonylContact C-O 3.56Å; V125-S160 VanDerWaalsContact CA-O 3.3Å; V125-S160 WeakPolarHBondContact CA-O 3.33Å; V125-S160 WeakPolarHBondContact CG2-O 3.44Å; V126-S160 PolarHBondContact N-O 3.22Å; G158-S160 PolarHBondContact O-N 3.14Å
161	S	90.6	Very high	75.3	Confident	10 Å²	10	71.4 Å²	71.4	7%	0.07	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.3	173.9	56.7	0	0	0	0	113.4	V126 Q142 E146	V126-S161 CarbonylContact O-C 3.59Å; V126-S161 VanDerWaalsContact O-CA 3.27Å; V126-S161 WeakPolarHBondContact O-CA 3.33Å; Q142-S161 VanDerWaalsContact CA-OG 3.29Å; Q142-S161 WeakPolarHBondContact CA-OG 3.4Å; Q142-S161 WeakPolarHBondContact CB-OG 3.49Å; Q142-S161 WeakPolarHBondContact CG-OG 3.34Å; Q142-S161 PolarHBondContact O-OG 3.03Å; E146-S161 WeakPolarHBondContact OE1-CB 3.46Å; E146-S161 PolarHBondContact OE1-N 3.07Å; E146-S161 PolarHBondContact OE1-OG 3.48Å
162	V	89.6	Confident	72.5	Confident	42 Å²	42	75.3 Å²	75.3	26%	0.255	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.1	-179.2	-175	0	0	0	0	109.9	L37 V125 V126 L127 T128 L164	L37-V162 HydrophobicContact CD1-CB 4.37Å; L37-V162 HydrophobicContact CD1-CG1 3.91Å; V125-V162 HydrophobicContact CG2-CG2 3.88Å; V126-V162 PolarHBondContact O-N 3.29Å; L127-V162 WeakPolarHBondContact CA-O 3.33Å; L127-V162 HydrophobicContact CD2-CB 3.67Å; L127-V162 HydrophobicContact CD2-CG1 4.44Å; L127-V162 HydrophobicContact CD2-CG2 4.15Å; T128-V162 PolarHBondContact N-O 3Å; V162-L164 HydrophobicContact CG1-CD2 4.38Å
163	L	88.5	Confident	69.7	Low	11 Å²	11	84.8 Å²	84.8	6%	0.058	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.8	174	-54.1	-178.8	0	0	0	108.1	T128 L132 V141 Q142 H165	T128-L163 HydrophobicContact CG2-CD2 3.31Å; L132-L163 HydrophobicContact CD1-CD1 3.32Å; L132-L163 HydrophobicContact CD2-CD1 4.28Å; L132-L163 HydrophobicContact CG-CD1 3.85Å; V141-L163 HydrophobicContact CB-CD1 4.42Å; V141-L163 HydrophobicContact CG1-CD1 4.15Å; V141-L163 HydrophobicContact CG1-CD2 3.79Å; Q142-L163 HydrophobicContact CG-CD1 4.32Å; Q142-L163 HydrophobicContact CG-CD2 4.36Å; Q142-L163 HydrophobicContact CG-CG 4.08Å; L163-H165 PolarHBondContact O-CE1 3.45Å; L163-H165 PolarHBondContact O-ND1 3.22Å
164	L	86	Confident	66.5	Low	9 Å²	9	93.8 Å²	93.8	5%	0.047	51%	0.508	C	S	.	.			trans	-79.4	125.2	-179.6	-58.8	177.6	0	0	0	109	L14 V30 A34 L37 L127 T128 V162 P166	L14-L164 HydrophobicContact CD1-CD1 3.8Å; V30-L164 HydrophobicContact CG1-CD1 3.84Å; A34-L164 HydrophobicContact CB-CD1 4.18Å; L37-L164 HydrophobicContact CD1-CD2 3.92Å; L127-L164 HydrophobicContact CB-CD1 4.01Å; L127-L164 HydrophobicContact CB-CG 4.25Å; L127-L164 HydrophobicContact CD1-CD1 4.45Å; L127-L164 HydrophobicContact CD2-CD2 4.39Å; T128-L164 WeakPolarHBondContact O-CB 3.38Å; T128-L164 PolarHBondContact O-N 3.38Å; V162-L164 HydrophobicContact CG1-CD2 4.38Å; L164-P166 WeakPolarHBondContact O-CD 3.42Å
165	H	75.9	Confident	63.7	Low	132 Å²	132	93.5 Å²	93.5	61%	0.611	52%	0.52	S	S	*	.			trans	-112.9	68.9	174.4	-59.9	82.8	0	0	0	109.1	L163 Q167	L163-H165 PolarHBondContact O-CE1 3.45Å; L163-H165 PolarHBondContact O-ND1 3.22Å; H165-Q167 PolarHBondContact O-N 3.45Å
166	P	61.6	Low	60.7	Low	18 Å²	18	99.4 Å²	99.4	12%	0.117	55%	0.55	C	S	.	.			trans	-62.3	127	-177.7	20.8	-26.5	0	0	0	109.5	P29 V30 L164 L168	P29-P166 HydrophobicContact CB-CB 3.55Å; P29-P166 HydrophobicContact CB-CG 4.35Å; V30-P166 HydrophobicContact CG2-CG 3.84Å; L164-P166 WeakPolarHBondContact O-CD 3.42Å; P166-L168 PolarHBondContact O-N 2.57Å; P166-L168 VanDerWaalsContact O-N 3.11Å
167	Q	54	Low	58	Low	178 Å²	178	107.2 Å²	107.2	83%	0.832	58%	0.582	S	S	*	*			trans	-59.9	115.7	169.3	-70.3	174.9	-14.2	0	0	107.5	H165 V169	H165-Q167 PolarHBondContact O-N 3.45Å; Q167-V169 PolarHBondContact O-N 2.92Å; Q167-V169 VanDerWaalsContact O-N 3.13Å
168	L	51.9	Low	55.8	Low	133 Å²	133	106.1 Å²	106.1	70%	0.696	57%	0.574	S	S	*	*			trans	-65.2	113.4	168.9	-72.1	166.5	0	0	0	106.4	P166 E170	P166-L168 PolarHBondContact O-N 2.57Å; P166-L168 VanDerWaalsContact O-N 3.11Å; L168-E170 PolarHBondContact O-N 3.31Å; L168-E170 VanDerWaalsContact O-N 3.16Å
169	V	41.9	Very low	53.3	Low	117 Å²	117	111.2 Å²	111.2	71%	0.709	58%	0.576	S	S	*	*			trans	-64.5	116.3	167.1	179.3	0	0	0	0	105.8	Q167 L171	Q167-V169 PolarHBondContact O-N 2.92Å; Q167-V169 VanDerWaalsContact O-N 3.13Å; V169-L171 VanDerWaalsContact C-N 3.35Å; V169-L171 PolarHBondContact O-N 3.11Å
170	E	34.1	Very low	50.4	Low	180 Å²	180	116.2 Å²	116.2	84%	0.841	61%	0.611	S	S	*	*			trans	-57.4	103.7	165.4	-75.3	-178.9	171.8	0	0	106.7	L168 Q172	L168-E170 PolarHBondContact O-N 3.31Å; L168-E170 VanDerWaalsContact O-N 3.16Å; E170-Q172 VanDerWaalsContact C-N 3.31Å; E170-Q172 PolarHBondContact O-N 2.89Å
171	L	35.6	Very low	47.5	Very low	160 Å²	160	120.7 Å²	120.7	84%	0.838	63%	0.631	S	S	*	*			trans	-63	100.4	168.7	-75.3	162.9	0	0	0	106.1	V169 E173	V169-L171 VanDerWaalsContact C-N 3.35Å; V169-L171 PolarHBondContact O-N 3.11Å; L171-E173 PolarHBondContact O-N 3.36Å; L171-E173 VanDerWaalsContact O-N 3.11Å
172	Q	30.4	Very low	44.7	Very low	173 Å²	173	129 Å²	129	81%	0.808	67%	0.669	S	S	*	*			trans	-52.7	120.4	163.6	-80.4	-177.8	-20.7	0	0	107.2	E170 K174	E170-Q172 VanDerWaalsContact C-N 3.31Å; E170-Q172 PolarHBondContact O-N 2.89Å; Q172-K174 PolarHBondContact O-N 3.25Å
173	E	33.5	Very low	42.3	Very low	198 Å²	198	136.6 Å²	136.6	93%	0.925	70%	0.702	S	S	*	*			trans	-53.2	85.4	171.2	-66.4	176.1	161.2	0	0	109.8	L171	L171-E173 PolarHBondContact O-N 3.36Å; L171-E173 VanDerWaalsContact O-N 3.11Å
174	K	27.9	Very low	39.8	Very low	191 Å²	191	144.8 Å²	144.8	83%	0.83	74%	0.74	S	S	*	*			trans	-100.6	105.9	154.4	-85.4	-171.5	174.9	179.3	0	105.8	Q172 D176	Q172-K174 PolarHBondContact O-N 3.25Å; K174-D176 PolarHBondContact O-N 2.97Å
175	G	33.2	Very low	37.5	Very low	71 Å²	71	154.3 Å²	154.3	73%	0.732	78%	0.781	S	S	*	*	S	Bend	trans	-46.2	115.2	-174.6	0	0	0	0	0	112.8
176	D	27.1	Very low	36.4	Very low	155 Å²	155	150 Å²	150	83%	0.829	77%	0.768	S	S	*	*			trans	-165	88.1	132.2	-92.6	-28.3	0	0	0	104.5	K174 P178	K174-D176 PolarHBondContact O-N 2.97Å; D176-P178 WeakPolarHBondContact O-CD 3.31Å
177	E	25	Very low	36.5	Very low	183 Å²	183	150.7 Å²	150.7	86%	0.855	78%	0.778	S	S	*	*			trans	-60.7	114.8	165.5	-72.6	-174.8	160.3	0	0	107.3	K179	E177-K179 PolarHBondContact O-N 3.32Å
178	P	29.8	Very low	37.5	Very low	118 Å²	118	148 Å²	148	77%	0.766	78%	0.776	S	S	*	*			trans	-67.4	111.5	159.2	28.9	-26.5	0	0	0	104.7	D176 C180	D176-P178 WeakPolarHBondContact O-CD 3.31Å; P178-C180 PolarHBondContact O-N 3.46Å
179	K	26.5	Very low	38.9	Very low	180 Å²	180	142.7 Å²	142.7	78%	0.783	75%	0.748	S	S	*	*			trans	-40.4	117.7	171.3	-75.9	177.8	177.4	176	0	107.8	E177 D181	E177-K179 PolarHBondContact O-N 3.32Å; K179-D181 VanDerWaalsContact C-N 3.26Å; K179-D181 PolarHBondContact O-N 3.18Å
180	C	25.3	Very low	41.1	Very low	128 Å²	128	143.2 Å²	143.2	87%	0.865	74%	0.743	S	S	*	*			trans	-61	98.2	172.1	-166.3	0	0	0	0	106.1	P178 Q182	P178-C180 PolarHBondContact O-N 3.46Å; C180-Q182 PolarHBondContact O-N 2.85Å
181	D	29.9	Very low	43.8	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	71%	0.713	S	S	*	*			trans	-55.1	136.6	175.4	-81.4	-35.1	0	0	0	108.3	K179	K179-D181 VanDerWaalsContact C-N 3.26Å; K179-D181 PolarHBondContact O-N 3.18Å
182	Q	31.1	Very low	46.7	Very low	184 Å²	184	129.7 Å²	129.7	86%	0.86	68%	0.677	S	S	*	*			trans	-47.5	139.3	-170	-66.2	171.5	-18.9	0	0	112.8	C180 Q184	C180-Q182 PolarHBondContact O-N 2.85Å; Q182-Q184 PolarHBondContact O-N 3.14Å
183	E	39.3	Very low	49.7	Very low	202 Å²	202	123.4 Å²	123.4	94%	0.944	65%	0.652	S	S	*	*			trans	-40.4	100.4	174.1	-65	174.3	140.5	0	0	113.2
184	Q	35.2	Very low	52.8	Low	184 Å²	184	114 Å²	114	86%	0.86	61%	0.609	S	S	*	*			trans	-94.2	110	155.1	-75.7	179.8	-2.2	0	0	107.3	Q182 A186	Q182-Q184 PolarHBondContact O-N 3.14Å; Q184-A186 PolarHBondContact O-N 3.12Å
185	K	37.9	Very low	56.1	Low	209 Å²	209	105 Å²	105	91%	0.909	57%	0.569	S	S	*	*			trans	-50.7	111.3	163.5	-95.1	179	174.1	174.1	0	107.8	G187	K185-G187 PolarHBondContact O-N 3.44Å; K185-G187 VanDerWaalsContact O-N 3.11Å
186	A	53.4	Low	59.2	Low	41 Å²	41	102 Å²	102	34%	0.339	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-58.5	116.1	-177.8	0	0	0	0	0	110.4	D68 Q184	D68-A186 HydrophobicContact CB-CB 4.43Å; D68-A186 VanDerWaalsContact OD1-CB 3.23Å; D68-A186 WeakPolarHBondContact OD1-CB 3.44Å; D68-A186 VanDerWaalsContact OD2-CB 3.26Å; D68-A186 WeakPolarHBondContact OD2-CB 3.36Å; Q184-A186 PolarHBondContact O-N 3.12Å
187	G	64.4	Low	62.5	Low	33 Å²	33	94.7 Å²	94.7	34%	0.34	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-72	162.9	177.9	0	0	0	0	0	112.4	K185 M189	K185-G187 PolarHBondContact O-N 3.44Å; K185-G187 VanDerWaalsContact O-N 3.11Å; G187-M189 PolarHBondContact O-N 2.92Å
188	P	74.1	Confident	65.8	Low	121 Å²	121	87.9 Å²	87.9	79%	0.786	48%	0.477	S	S	*	.	B	Isolated β-bridge	trans	-57.1	138.7	168.9	26.3	-33.2	0	0	0	110
189	M	82	Confident	68.8	Low	21 Å²	21	83.1 Å²	83.1	10%	0.103	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-78	132	175.9	-166.9	-179.4	-169	0	0	109.4	P65 G187 I214 L217 L218	P65-M189 HydrophobicContact CB-CB 4.23Å; P65-M189 WeakPolarHBondContact O-CB 3.47Å; P65-M189 PolarHBondContact O-N 3.41Å; P65-M189 VanDerWaalsContact O-N 3.11Å; G187-M189 PolarHBondContact O-N 2.92Å; M189-I214 HydrophobicContact CE-CG2 4.18Å; M189-L217 HydrophobicContact SD-CB 4.34Å; M189-L218 HydrophobicContact CE-CD2 3.44Å; M189-L218 VanDerWaalsContact CE-CD2 3.44Å; M189-L218 HydrophobicContact CE-CG 3.83Å; M189-L218 HydrophobicContact CG-CD2 4.34Å; M189-L218 HydrophobicContact SD-CD2 4.26Å
190	E	86.9	Confident	71.9	Confident	128 Å²	128	75.2 Å²	75.2	60%	0.598	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-65.3	138.5	171.8	-166.8	177.4	-164.5	0	0	109.6	Y192 L218	E190-Y192 HydrophobicContact CG-CE1 3.92Å; E190-Y192 PolarHBondContact OE2-OH 2.92Å; E190-L218 WeakPolarHBondContact O-CD2 3.48Å
191	T	92.2	Very high	75.2	Confident	36 Å²	36	69.2 Å²	69.2	22%	0.221	38%	0.375	C	S	.	.			trans	-130.5	151.7	179.6	55.1	0	0	0	0	109.9	P65 A98 L217 L218 N220	P65-T191 HydrophobicContact CB-CG2 4.4Å; P65-T191 HydrophobicContact CG-CG2 3.77Å; A98-T191 HydrophobicContact CB-CG2 4.29Å; T191-L217 WeakPolarHBondContact CG2-O 3.47Å; T191-L218 CarbonylContact C-O 3.59Å; T191-L218 WeakPolarHBondContact CA-O 3.45Å; T191-L218 WeakPolarHBondContact CB-O 3.45Å; T191-N220 WeakPolarHBondContact CB-ND2 3.42Å; T191-N220 PolarHBondContact OG1-ND2 3.23Å
192	Y	94.9	Very high	78.2	Confident	21 Å²	21	62.2 Å²	62.2	8%	0.082	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.3	-171.7	-52.2	-76.8	0	0	0	110.6	E190 V195 L218 N220 K284 C285 V312	E190-Y192 HydrophobicContact CG-CE1 3.92Å; E190-Y192 PolarHBondContact OE2-OH 2.92Å; Y192-V195 HydrophobicContact CD2-CG2 4.49Å; Y192-L218 HydrophobicContact CD2-CB 4.44Å; Y192-L218 HydrophobicContact CD2-CD2 4.44Å; Y192-L218 HydrophobicContact CE2-CD2 4.16Å; Y192-L218 PolarHBondContact N-O 3.23Å; Y192-N220 PolarHBondContact O-N 3.05Å; Y192-K284 HydrophobicContact CD1-CB 4.33Å; Y192-C285 HydrophobicContact CD1-CB 4.21Å; Y192-C285 HydrophobicContact CD2-CB 3.32Å; Y192-C285 HydrophobicContact CE2-CB 3.72Å; Y192-C285 HydrophobicContact CG-CB 3.59Å; Y192-V312 HydrophobicContact CE1-CB 4.24Å; Y192-V312 HydrophobicContact CE1-CG1 4.44Å; Y192-V312 HydrophobicContact CE1-CG2 4.05Å; Y192-V312 WeakPolarHBondContact OH-CG1 3.33Å
193	S	94.8	Very high	81	Confident	41 Å²	41	57 Å²	57	29%	0.287	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-44.3	178.4	61.3	0	0	0	0	111.7	R221 R222	S193-R221 WeakPolarHBondContact O-CA 3.42Å; S193-R221 VanDerWaalsContact O-CB 3.31Å; S193-R221 WeakPolarHBondContact O-CB 3.15Å; S193-R221 PolarHBondContact O-N 3.21Å; S193-R221 VanDerWaalsContact O-N 3.12Å; S193-R222 PolarHBondContact O-N 3.04Å
194	D	97.1	Very high	83.4	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	115.2	-171.1	-58.1	-112.3	0	0	0	109.4	R221 R222 L283 K284 C285	D194-R221 IonicContact OD1-CZ 3.91Å; D194-R221 IonicContact OD1-NE 2.69Å; D194-R221 IonicContact OD1-NH2 2.79Å; D194-R221 PolarHBondContact OD1-NH2 3.48Å; D194-R221 IonicContact OD2-CZ 3.93Å; D194-R221 VanDerWaalsContact OD2-CZ 3.32Å; D194-R221 IonicContact OD2-NE 3.58Å; D194-R221 IonicContact OD2-NH1 3.98Å; D194-R221 IonicContact OD2-NH2 3.78Å; D194-R221 PolarHBondContact OD2-NH2 2.86Å; D194-R222 WeakPolarHBondContact CA-O 3.33Å; D194-R222 WeakPolarHBondContact OD1-CB 3.37Å; D194-R222 IonicContact OD1-CZ 3.89Å; D194-R222 IonicContact OD1-NE 2.6Å; D194-R222 PolarHBondContact OD1-NE 3.17Å; D194-R222 IonicContact OD1-NH2 3.69Å; D194-R222 PolarHBondContact OD1-NH2 3.35Å; D194-L283 HydrophobicContact CB-CD2 4.2Å; D194-K284 PolarHBondContact O-N 3.28Å; D194-C285 PolarHBondContact O-N 3.43Å
195	V	97.9	Very high	85.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.3	-177.2	179.5	0	0	0	0	109.5	Y192 L218 A219 R222 F223 V224 C285 V287	Y192-V195 HydrophobicContact CD2-CG2 4.49Å; V195-L218 HydrophobicContact CG2-CB 4.21Å; V195-A219 HydrophobicContact CB-CB 3.99Å; V195-A219 HydrophobicContact CG2-CB 3.7Å; V195-R222 PolarHBondContact N-O 3.26Å; V195-R222 VanDerWaalsContact N-O 3.08Å; V195-F223 HydrophobicContact CB-CD2 4.27Å; V195-F223 HydrophobicContact CG1-CD2 4.3Å; V195-F223 HydrophobicContact CG1-CE2 4.35Å; V195-F223 WeakPolarHBondContact O-CA 3.29Å; V195-V224 PolarHBondContact O-N 3.11Å; V195-C285 WeakPolarHBondContact CA-O 3.41Å; V195-C285 HydrophobicContact CG2-CB 4.3Å; V195-V287 HydrophobicContact CG1-CG2 3.5Å
196	V	98.1	Very high	88.2	Confident	8 Å²	8	31.7 Å²	31.7	5%	0.048	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.5	174.3	64.5	0	0	0	0	112	V224 L283 C285 I286 V287 L311	V196-V224 CarbonylContact C-O 3.05Å; V196-V224 VanDerWaalsContact CA-O 3.27Å; V196-V224 WeakPolarHBondContact CA-O 3.36Å; V196-V224 HydrophobicContact CB-CB 4.33Å; V196-V224 HydrophobicContact CG2-CB 4.15Å; V196-V224 HydrophobicContact CG2-CG1 4.23Å; V196-L283 HydrophobicContact CB-CD1 4.05Å; V196-L283 HydrophobicContact CB-CD2 3.96Å; V196-L283 HydrophobicContact CG1-CD1 4.01Å; V196-L283 HydrophobicContact CG1-CD2 4.42Å; V196-L283 HydrophobicContact CG2-CD1 4.43Å; V196-C285 PolarHBondContact N-O 2.93Å; V196-I286 HydrophobicContact CG1-CB 3.87Å; V196-I286 HydrophobicContact CG1-CD1 4.35Å; V196-I286 HydrophobicContact CG1-CG1 3.97Å; V196-I286 WeakPolarHBondContact O-CA 3.22Å; V196-V287 PolarHBondContact O-N 2.94Å; V196-L311 HydrophobicContact CG1-CD1 3.98Å
197	V	97.1	Very high	89.8	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.8	169	69.7	0	0	0	0	109.8	F201 L211 L212 F223 V224 I225 G226	V197-F201 HydrophobicContact CG1-CZ 4.01Å; V197-F201 HydrophobicContact CG2-CZ 4.2Å; V197-L211 HydrophobicContact CG2-CD1 3.91Å; V197-L211 HydrophobicContact CG2-CD2 3.76Å; V197-L211 HydrophobicContact CG2-CG 3.85Å; V197-L212 HydrophobicContact CG1-CD2 4.25Å; V197-F223 HydrophobicContact CB-CE2 4.13Å; V197-F223 HydrophobicContact CB-CZ 4.44Å; V197-F223 HydrophobicContact CG1-CE2 3.56Å; V197-F223 HydrophobicContact CG1-CZ 3.6Å; V197-V224 PolarHBondContact N-O 2.85Å; V197-I225 HydrophobicContact CG1-CB 4.26Å; V197-I225 HydrophobicContact CG1-CG1 3.9Å; V197-I225 HydrophobicContact CG1-CG2 4.01Å; V197-I225 CarbonylContact O-C 3.49Å; V197-I225 WeakPolarHBondContact O-CA 3.09Å; V197-G226 PolarHBondContact O-N 2.94Å
198	G	94.5	Very high	91.1	Very high	41 Å²	41	30.2 Å²	30.2	42%	0.423	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.5	175.7	0	0	0	0	0	111.1	G226	G198-G226 CarbonylContact C-O 3.52Å; G198-G226 WeakPolarHBondContact CA-O 3.4Å
199	G	92.7	Very high	92	Very high	17 Å²	17	25 Å²	25	18%	0.175	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	169.8	-179.5	0	0	0	0	0	114.5	F201 G226 V227 C228	G199-F201 VanDerWaalsContact CA-CE2 3.49Å; G199-F201 VanDerWaalsContact N-CE2 3.35Å; G199-F201 VanDerWaalsContact O-CD2 3.32Å; G199-F201 WeakPolarHBondContact O-CD2 3.46Å; G199-G226 PolarHBondContact N-O 3.46Å; G199-V227 WeakPolarHBondContact O-CA 3.39Å; G199-C228 VanDerWaalsContact C-SG 3.56Å; G199-C228 PolarHBondContact O-N 2.76Å; G199-C228 PolarHBondContact O-SG 3.32Å
200	T	91.5	Very high	92.5	Very high	15 Å²	15	24.1 Å²	24.1	9%	0.092	14%	0.14	C	C	.	.			trans	-77.6	-34.5	173.8	-53.9	0	0	0	0	111.4	D202 L233 R248	T200-D202 HydrophobicContact CG2-CB 3.99Å; T200-D202 PolarHBondContact O-N 3.21Å; T200-D202 VanDerWaalsContact O-N 3.08Å; T200-L233 HydrophobicContact CG2-CD2 3.75Å; T200-R248 PolarHBondContact O-NH1 2.91Å
201	F	93.4	Very high	92.8	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	12%	0.116	C	C	.	.			trans	50	34.6	178.8	-55.7	-69.6	0	0	0	113.7	V197 G199 L204 H208 L211 L212 I225 V227 L252	V197-F201 HydrophobicContact CG1-CZ 4.01Å; V197-F201 HydrophobicContact CG2-CZ 4.2Å; G199-F201 VanDerWaalsContact CA-CE2 3.49Å; G199-F201 VanDerWaalsContact N-CE2 3.35Å; G199-F201 VanDerWaalsContact O-CD2 3.32Å; G199-F201 WeakPolarHBondContact O-CD2 3.46Å; F201-L204 HydrophobicContact CB-CD2 4.12Å; F201-L204 HydrophobicContact CD1-CD2 4.2Å; F201-H208 VanDerWaalsContact CA-CE1 3.43Å; F201-H208 WeakPolarHBondContact CA-CE1 3.35Å; F201-H208 HydrophobicContact CD1-CB 4.32Å; F201-L211 HydrophobicContact CE1-CD2 4.39Å; F201-L212 HydrophobicContact CD1-CD1 4.27Å; F201-L212 HydrophobicContact CE1-CD1 4.23Å; F201-L212 HydrophobicContact CE1-CD2 3.8Å; F201-L212 HydrophobicContact CE1-CG 4.03Å; F201-L212 HydrophobicContact CZ-CD2 4.15Å; F201-I225 HydrophobicContact CD2-CG2 4.15Å; F201-I225 HydrophobicContact CE2-CG2 3.52Å; F201-I225 HydrophobicContact CZ-CG2 3.96Å; F201-V227 HydrophobicContact CD2-CG2 4.01Å; F201-L252 HydrophobicContact CB-CD1 3.81Å; F201-L252 HydrophobicContact CB-CD2 4.19Å; F201-L252 HydrophobicContact CB-CG 4.23Å; F201-L252 HydrophobicContact CD1-CD2 4.03Å; F201-L252 HydrophobicContact CD2-CD1 4.02Å; F201-L252 HydrophobicContact CG-CD1 3.95Å; F201-L252 HydrophobicContact CG-CD2 4.05Å; F201-L252 HydrophobicContact CG-CG 4.48Å
202	D	92.6	Very high	93	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.105	C	C	.	.			trans	-77	127.3	174.4	-178.6	42.6	0	0	0	108.8	T200 H208 I242 E243 S334 R338	T200-D202 HydrophobicContact CG2-CB 3.99Å; T200-D202 PolarHBondContact O-N 3.21Å; T200-D202 VanDerWaalsContact O-N 3.08Å; D202-H208 PolarHBondContact O-CE1 2.81Å; D202-I242 HydrophobicContact CB-CG2 4.27Å; D202-E243 PolarHBondContact OD1-N 3.28Å; D202-S334 PolarHBondContact O-OG 3.13Å; D202-R338 WeakPolarHBondContact OD2-CD 3.49Å; D202-R338 IonicContact OD2-CZ 3.05Å; D202-R338 IonicContact OD2-NE 2.74Å; D202-R338 IonicContact OD2-NH1 3.46Å; D202-R338 PolarHBondContact OD2-NH1 3.33Å
203	R	90.1	Very high	93	Very high	75 Å²	75	16 Å²	16	28%	0.283	10%	0.101	S	C	.	.	S	Bend	trans	44.9	76.4	179.5	-61.4	172.8	-172.6	-84.3	0.4	112.3	H205 E243 L337 L341	R203-H205 PolarHBondContact O-N 3.46Å; R203-H205 PolarHBondContact O-ND1 3.04Å; R203-E243 HydrophobicContact CG-CG 4.13Å; R203-E243 IonicContact CZ-OE1 3.38Å; R203-E243 PolarHBondContact N-OE2 3.29Å; R203-E243 IonicContact NH1-OE1 3.32Å; R203-E243 PolarHBondContact NH1-OE1 2.93Å; R203-L337 HydrophobicContact CB-CD1 4.16Å; R203-L341 VanDerWaalsContact CZ-CD1 3.45Å
204	L	90.7	Very high	93	Very high	32 Å²	32	14.3 Å²	14.3	17%	0.168	9%	0.089	C	C	.	.			trans	-45.1	116.2	-177.2	-67.8	179.4	0	0	0	112.1	F201 H208 L212 R251 L252 F255	F201-L204 HydrophobicContact CB-CD2 4.12Å; F201-L204 HydrophobicContact CD1-CD2 4.2Å; L204-H208 HydrophobicContact CD2-CB 3.78Å; L204-L212 HydrophobicContact CD2-CD1 4.06Å; L204-R251 HydrophobicContact CD1-CB 4.14Å; L204-L252 HydrophobicContact CD1-CD2 4.13Å; L204-L252 HydrophobicContact CD1-CG 4.38Å; L204-L252 HydrophobicContact CD2-CD2 3.82Å; L204-L252 HydrophobicContact CD2-CG 4.42Å; L204-F255 HydrophobicContact CD1-CB 4.08Å; L204-F255 HydrophobicContact CD1-CG 4.45Å
205	H	87.4	Confident	92.9	Very high	20 Å²	20	14.2 Å²	14.2	9%	0.093	9%	0.088	C	C	.	.			trans	-128.3	178.4	-178.8	54.2	-83.1	0	0	0	109.6	R203 A207 H208 K209 I332 L337	R203-H205 PolarHBondContact O-N 3.46Å; R203-H205 PolarHBondContact O-ND1 3.04Å; H205-A207 VanDerWaalsContact C-N 3.29Å; H205-A207 PolarHBondContact O-N 3.19Å; H205-A207 VanDerWaalsContact O-N 3.12Å; H205-H208 AromaticContact CE1-CE1 3.26Å; H205-H208 PolarHBondContact CE1-CE1 2.85Å; H205-H208 AromaticContact CE1-CG 3.85Å; H205-H208 AromaticContact CE1-ND1 3.3Å; H205-H208 PolarHBondContact CE1-ND1 2.92Å; H205-H208 VanDerWaalsContact CE1-ND1 3.3Å; H205-H208 AromaticContact CE1-NE2 3.81Å; H205-H208 AromaticContact ND1-CE1 3.8Å; H205-H208 AromaticContact ND1-ND1 3.47Å; H205-H208 PolarHBondContact ND1-ND1 2.94Å; H205-H208 PolarHBondContact O-N 3.16Å; H205-K209 WeakPolarHBondContact O-CG 2.99Å; H205-K209 PolarHBondContact O-N 3.3Å; H205-I332 HydrophobicContact CB-CG2 4.12Å; H205-I332 WeakPolarHBondContact CD2-CG2 3.38Å; H205-I332 PolarHBondContact NE2-O 3.12Å; H205-L337 HydrophobicContact CB-CD1 3.85Å; H205-L337 WeakPolarHBondContact ND1-CD1 3.4Å
206	G	86.7	Confident	92.8	Very high	12 Å²	12	14.3 Å²	14.3	12%	0.124	9%	0.089	C	C	.	.	H	α-helix	trans	-46.5	-46.4	-173.2	0	0	0	0	0	114.3	H208 K209 T210	G206-H208 PolarHBondContact O-N 3.02Å; G206-K209 PolarHBondContact O-N 2.93Å; G206-T210 WeakPolarHBondContact O-CB 3.43Å; G206-T210 PolarHBondContact O-N 3.34Å; G206-T210 PolarHBondContact O-OG1 3.5Å
207	A	86.6	Confident	92.6	Very high	19 Å²	19	14.1 Å²	14.1	16%	0.157	9%	0.087	C	C	.	.	H	α-helix	trans	-59.4	-49.3	178.3	0	0	0	0	0	113.6	H205 T210 L211 V318	H205-A207 VanDerWaalsContact C-N 3.29Å; H205-A207 PolarHBondContact O-N 3.19Å; H205-A207 VanDerWaalsContact O-N 3.12Å; A207-T210 PolarHBondContact O-N 2.91Å; A207-L211 WeakPolarHBondContact O-CB 3.32Å; A207-L211 PolarHBondContact O-N 3.14Å; A207-V318 HydrophobicContact CB-CG1 3.46Å; A207-V318 VanDerWaalsContact CB-CG1 3.46Å
208	H	91.3	Very high	92.4	Very high	23 Å²	23	14.1 Å²	14.1	11%	0.106	9%	0.087	C	C	.	.	H	α-helix	trans	-62.9	-43.2	175.8	-68.1	154.4	0	0	0	111.4	F201 D202 L204 H205 G206 T210 L211 L212 S334	F201-H208 VanDerWaalsContact CA-CE1 3.43Å; F201-H208 WeakPolarHBondContact CA-CE1 3.35Å; F201-H208 HydrophobicContact CD1-CB 4.32Å; D202-H208 PolarHBondContact O-CE1 2.81Å; L204-H208 HydrophobicContact CD2-CB 3.78Å; H205-H208 AromaticContact CE1-CE1 3.26Å; H205-H208 PolarHBondContact CE1-CE1 2.85Å; H205-H208 AromaticContact CE1-CG 3.85Å; H205-H208 AromaticContact CE1-ND1 3.3Å; H205-H208 PolarHBondContact CE1-ND1 2.92Å; H205-H208 VanDerWaalsContact CE1-ND1 3.3Å; H205-H208 AromaticContact CE1-NE2 3.81Å; H205-H208 AromaticContact ND1-CE1 3.8Å; H205-H208 AromaticContact ND1-ND1 3.47Å; H205-H208 PolarHBondContact ND1-ND1 2.94Å; H205-H208 PolarHBondContact O-N 3.16Å; G206-H208 PolarHBondContact O-N 3.02Å; H208-T210 VanDerWaalsContact C-N 3.34Å; H208-T210 PolarHBondContact O-N 3.17Å; H208-L211 PolarHBondContact O-N 3.09Å; H208-L212 WeakPolarHBondContact O-CB 3.32Å; H208-L212 WeakPolarHBondContact O-CD1 3.44Å; H208-L212 WeakPolarHBondContact O-CG 3.45Å; H208-L212 PolarHBondContact O-N 2.8Å; H208-S334 PolarHBondContact CE1-OG 3.49Å
209	K	93.6	Very high	92.4	Very high	13 Å²	13	12.1 Å²	12.1	6%	0.057	7%	0.067	C	C	.	.	H	α-helix	trans	-64.2	-39.8	-179.1	-65.7	179.1	176.8	-175.9	0	111.6	Y77 D88 V89 H205 G206 S213 F255	Y77-K209 HydrophobicContact CD1-CB 3.94Å; Y77-K209 HydrophobicContact CD1-CD 4.05Å; Y77-K209 HydrophobicContact CD2-CB 4.2Å; Y77-K209 HydrophobicContact CE1-CB 3.59Å; Y77-K209 HydrophobicContact CE1-CD 3.63Å; Y77-K209 HydrophobicContact CE1-CG 4.25Å; Y77-K209 HydrophobicContact CE2-CB 3.84Å; Y77-K209 HydrophobicContact CG-CB 4.24Å; D88-K209 WeakPolarHBondContact OD1-CE 3.45Å; D88-K209 IonicContact OD1-NZ 3.45Å; D88-K209 PolarHBondContact OD1-NZ 3.31Å; V89-K209 WeakPolarHBondContact O-CD 3.46Å; V89-K209 PolarHBondContact O-NZ 3.33Å; H205-K209 WeakPolarHBondContact O-CG 2.99Å; H205-K209 PolarHBondContact O-N 3.3Å; G206-K209 PolarHBondContact O-N 2.93Å; K209-S213 WeakPolarHBondContact O-CB 3.49Å; K209-S213 PolarHBondContact O-N 3.42Å; K209-S213 PolarHBondContact O-OG 3.44Å; K209-F255 HydrophobicContact CB-CE2 4.04Å; K209-F255 HydrophobicContact CB-CZ 3.88Å; K209-F255 HydrophobicContact CD-CE2 4.04Å; K209-F255 HydrophobicContact CG-CD2 4.34Å; K209-F255 HydrophobicContact CG-CE2 3.67Å; K209-F255 HydrophobicContact CG-CZ 3.97Å
210	T	92.8	Very high	92.4	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.012	8%	0.077	C	C	.	.	H	α-helix	trans	-60.9	-52.6	172.1	-63	0	0	0	0	111.2	T74 Y77 G206 A207 H208 L212 S213 I214 I316	T74-T210 HydrophobicContact CG2-CG2 4.05Å; T74-T210 WeakPolarHBondContact OG1-CG2 3.31Å; Y77-T210 WeakPolarHBondContact CB-OG1 3.04Å; Y77-T210 VanDerWaalsContact CD2-OG1 3.3Å; Y77-T210 WeakPolarHBondContact CD2-OG1 3.44Å; G206-T210 WeakPolarHBondContact O-CB 3.43Å; G206-T210 PolarHBondContact O-N 3.34Å; G206-T210 PolarHBondContact O-OG1 3.5Å; A207-T210 PolarHBondContact O-N 2.91Å; H208-T210 VanDerWaalsContact C-N 3.34Å; H208-T210 PolarHBondContact O-N 3.17Å; T210-L212 PolarHBondContact O-N 2.88Å; T210-S213 PolarHBondContact O-N 3.5Å; T210-I214 HydrophobicContact CG2-CD1 3.71Å; T210-I214 HydrophobicContact CG2-CG1 4.5Å; T210-I214 WeakPolarHBondContact O-CB 3.18Å; T210-I214 WeakPolarHBondContact O-CG1 3.43Å; T210-I214 PolarHBondContact O-N 3.37Å; T210-I316 HydrophobicContact CG2-CG2 4.23Å
211	L	93.6	Very high	92.5	Very high	15 Å²	15	19.8 Å²	19.8	8%	0.079	9%	0.094	C	C	.	.	H	α-helix	trans	-53.5	-53.1	177.8	173.8	60.7	0	0	0	111	V197 F201 A207 H208 S215 V287 I316	V197-L211 HydrophobicContact CG2-CD1 3.91Å; V197-L211 HydrophobicContact CG2-CD2 3.76Å; V197-L211 HydrophobicContact CG2-CG 3.85Å; F201-L211 HydrophobicContact CE1-CD2 4.39Å; A207-L211 WeakPolarHBondContact O-CB 3.32Å; A207-L211 PolarHBondContact O-N 3.14Å; H208-L211 PolarHBondContact O-N 3.09Å; L211-S215 WeakPolarHBondContact O-CB 3.18Å; L211-S215 PolarHBondContact O-N 3.39Å; L211-S215 PolarHBondContact O-OG 3.25Å; L211-V287 HydrophobicContact CD1-CB 4.42Å; L211-V287 HydrophobicContact CD1-CG1 3.66Å; L211-I316 HydrophobicContact CD1-CD1 3.76Å
212	L	96	Very high	92.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.1	-42.1	-179	-67.5	166.3	0	0	0	112.6	V197 F201 L204 H208 T210 S215 C216 F223 I225 L252 F255	V197-L212 HydrophobicContact CG1-CD2 4.25Å; F201-L212 HydrophobicContact CD1-CD1 4.27Å; F201-L212 HydrophobicContact CE1-CD1 4.23Å; F201-L212 HydrophobicContact CE1-CD2 3.8Å; F201-L212 HydrophobicContact CE1-CG 4.03Å; F201-L212 HydrophobicContact CZ-CD2 4.15Å; L204-L212 HydrophobicContact CD2-CD1 4.06Å; H208-L212 WeakPolarHBondContact O-CB 3.32Å; H208-L212 WeakPolarHBondContact O-CD1 3.44Å; H208-L212 WeakPolarHBondContact O-CG 3.45Å; H208-L212 PolarHBondContact O-N 2.8Å; T210-L212 PolarHBondContact O-N 2.88Å; L212-S215 PolarHBondContact O-N 3.16Å; L212-C216 PolarHBondContact O-N 3.02Å; L212-C216 PolarHBondContact O-SG 3.18Å; L212-F223 HydrophobicContact CD2-CE1 4.26Å; L212-F223 HydrophobicContact CD2-CZ 4.06Å; L212-I225 HydrophobicContact CD2-CD1 4Å; L212-L252 HydrophobicContact CD1-CD2 3.47Å; L212-L252 VanDerWaalsContact CD1-CD2 3.47Å; L212-L252 HydrophobicContact CD2-CD2 4.15Å; L212-L252 HydrophobicContact CG-CD2 4.47Å; L212-F255 HydrophobicContact CB-CD1 4.37Å; L212-F255 HydrophobicContact CB-CE1 3.73Å; L212-F255 HydrophobicContact CD1-CD1 4.01Å; L212-F255 HydrophobicContact CD1-CE1 4.04Å
213	S	95.4	Very high	92.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.7	-41.9	-179.3	-58.3	0	0	0	0	111.3	Y77 L93 K209 T210 C216 L217	Y77-S213 WeakPolarHBondContact CE2-OG 3.34Å; Y77-S213 PolarHBondContact OH-OG 2.94Å; L93-S213 WeakPolarHBondContact CD1-O 3.45Å; K209-S213 WeakPolarHBondContact O-CB 3.49Å; K209-S213 PolarHBondContact O-N 3.42Å; K209-S213 PolarHBondContact O-OG 3.44Å; T210-S213 PolarHBondContact O-N 3.5Å; S213-C216 WeakPolarHBondContact O-CB 3.38Å; S213-C216 PolarHBondContact O-N 2.94Å; S213-L217 PolarHBondContact O-N 3.31Å
214	I	93.9	Very high	93.3	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-69.1	-38.7	175.7	-64.9	171.9	0	0	0	110.5	M189 T210 C216 L217 L218 I316	M189-I214 HydrophobicContact CE-CG2 4.18Å; T210-I214 HydrophobicContact CG2-CD1 3.71Å; T210-I214 HydrophobicContact CG2-CG1 4.5Å; T210-I214 WeakPolarHBondContact O-CB 3.18Å; T210-I214 WeakPolarHBondContact O-CG1 3.43Å; T210-I214 PolarHBondContact O-N 3.37Å; I214-C216 VanDerWaalsContact C-N 3.26Å; I214-C216 PolarHBondContact O-N 3.34Å; I214-L217 WeakPolarHBondContact O-CB 3.42Å; I214-L217 PolarHBondContact O-N 3.28Å; I214-L217 VanDerWaalsContact O-N 3.09Å; I214-L218 HydrophobicContact CG2-CD1 4.28Å; I214-L218 WeakPolarHBondContact O-CG 3.45Å; I214-L218 PolarHBondContact O-N 2.95Å; I214-I316 HydrophobicContact CB-CD1 3.59Å; I214-I316 HydrophobicContact CB-CG1 4.44Å; I214-I316 HydrophobicContact CD1-CD1 4.01Å; I214-I316 HydrophobicContact CD1-CG1 4.27Å; I214-I316 HydrophobicContact CD1-CG2 3.78Å; I214-I316 HydrophobicContact CG1-CD1 4.38Å; I214-I316 HydrophobicContact CG2-CD1 3.55Å; I214-I316 HydrophobicContact CG2-CG1 4Å
215	S	95.5	Very high	93.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59	-38.2	170.7	-59.8	0	0	0	0	112.3	L211 L212 L217 L218 A219 F223 V287	L211-S215 WeakPolarHBondContact O-CB 3.18Å; L211-S215 PolarHBondContact O-N 3.39Å; L211-S215 PolarHBondContact O-OG 3.25Å; L212-S215 PolarHBondContact O-N 3.16Å; S215-L217 VanDerWaalsContact C-N 3.35Å; S215-L218 PolarHBondContact O-N 2.76Å; S215-A219 WeakPolarHBondContact O-CB 3.36Å; S215-A219 PolarHBondContact O-N 3.42Å; S215-F223 VanDerWaalsContact CB-CE2 3.46Å; S215-V287 WeakPolarHBondContact OG-CB 3.47Å
216	C	95.3	Very high	94.1	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.007	8%	0.077	C	C	.	.	H	α-helix	trans	-66.7	-33.4	174.1	-69.9	0	0	0	0	112.7	L93 L212 S213 I214 T259 K260 L263	L93-C216 HydrophobicContact CD1-CB 3.83Å; L212-C216 PolarHBondContact O-N 3.02Å; L212-C216 PolarHBondContact O-SG 3.18Å; S213-C216 WeakPolarHBondContact O-CB 3.38Å; S213-C216 PolarHBondContact O-N 2.94Å; I214-C216 VanDerWaalsContact C-N 3.26Å; I214-C216 PolarHBondContact O-N 3.34Å; C216-T259 HydrophobicContact CB-CG2 4.38Å; C216-K260 HydrophobicContact CB-CB 4.13Å; C216-K260 HydrophobicContact CB-CD 3.9Å; C216-K260 WeakPolarHBondContact O-CD 3.47Å; C216-K260 VanDerWaalsContact O-CE 3.27Å; C216-K260 WeakPolarHBondContact O-CE 3.22Å; C216-L263 HydrophobicContact CB-CD1 4.2Å
217	L	93.1	Very high	94.6	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.021	7%	0.071	C	C	.	.	H	α-helix	trans	-66.3	-38.6	172.6	-73.5	-179.8	0	0	0	112.2	L69 I73 L93 I96 M189 T191 S213 I214 S215	L69-L217 HydrophobicContact CD2-CD1 4.17Å; L69-L217 HydrophobicContact CD2-CD2 3.77Å; L69-L217 HydrophobicContact CG-CD1 4.16Å; I73-L217 HydrophobicContact CD1-CD1 3.56Å; I73-L217 HydrophobicContact CD1-CG 4.19Å; L93-L217 HydrophobicContact CD1-CD2 3.94Å; L93-L217 HydrophobicContact CD1-CG 3.97Å; L93-L217 HydrophobicContact CD2-CD2 4.07Å; L93-L217 HydrophobicContact CG-CD2 4.48Å; I96-L217 HydrophobicContact CB-CD2 4.44Å; I96-L217 HydrophobicContact CD1-CD2 4.21Å; I96-L217 HydrophobicContact CG2-CD2 3.66Å; M189-L217 HydrophobicContact SD-CB 4.34Å; T191-L217 WeakPolarHBondContact CG2-O 3.47Å; S213-L217 PolarHBondContact O-N 3.31Å; I214-L217 WeakPolarHBondContact O-CB 3.42Å; I214-L217 PolarHBondContact O-N 3.28Å; I214-L217 VanDerWaalsContact O-N 3.09Å; S215-L217 VanDerWaalsContact C-N 3.35Å
218	L	93.6	Very high	95	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-73.5	-28.7	179.8	-70.7	170.1	0	0	0	112.6	M189 E190 T191 Y192 V195 I214 S215 V287 H314	M189-L218 HydrophobicContact CE-CD2 3.44Å; M189-L218 VanDerWaalsContact CE-CD2 3.44Å; M189-L218 HydrophobicContact CE-CG 3.83Å; M189-L218 HydrophobicContact CG-CD2 4.34Å; M189-L218 HydrophobicContact SD-CD2 4.26Å; E190-L218 WeakPolarHBondContact O-CD2 3.48Å; T191-L218 CarbonylContact C-O 3.59Å; T191-L218 WeakPolarHBondContact CA-O 3.45Å; T191-L218 WeakPolarHBondContact CB-O 3.45Å; Y192-L218 HydrophobicContact CD2-CB 4.44Å; Y192-L218 HydrophobicContact CD2-CD2 4.44Å; Y192-L218 HydrophobicContact CE2-CD2 4.16Å; Y192-L218 PolarHBondContact N-O 3.23Å; V195-L218 HydrophobicContact CG2-CB 4.21Å; I214-L218 HydrophobicContact CG2-CD1 4.28Å; I214-L218 WeakPolarHBondContact O-CG 3.45Å; I214-L218 PolarHBondContact O-N 2.95Å; S215-L218 PolarHBondContact O-N 2.76Å; L218-V287 HydrophobicContact CD1-CG2 3.71Å; L218-H314 HydrophobicContact CD1-CB 4.09Å
219	A	94.6	Very high	94.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	134.8	-176.6	0	0	0	0	0	112.5	V195 S215 F223 L263	V195-A219 HydrophobicContact CB-CB 3.99Å; V195-A219 HydrophobicContact CG2-CB 3.7Å; S215-A219 WeakPolarHBondContact O-CB 3.36Å; S215-A219 PolarHBondContact O-N 3.42Å; A219-F223 HydrophobicContact CB-CB 4.31Å; A219-L263 HydrophobicContact CB-CD1 3.85Å; A219-L263 HydrophobicContact CB-CD2 4Å; A219-L263 WeakPolarHBondContact O-CD2 3.44Å
220	N	91.8	Very high	94.5	Very high	73 Å²	73	21 Å²	21	39%	0.39	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-22.8	176.3	-73.6	-33.1	0	0	0	114.5	A98 T191 Y192	A98-N220 WeakPolarHBondContact CB-OD1 3.46Å; T191-N220 WeakPolarHBondContact CB-ND2 3.42Å; T191-N220 PolarHBondContact OG1-ND2 3.23Å; Y192-N220 PolarHBondContact O-N 3.05Å
221	R	94.1	Very high	94.2	Very high	120 Å²	120	23.6 Å²	23.6	45%	0.453	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-62.9	-178.1	-174	-174.1	77.9	-159.5	5.6	112	S193 D194 Q264	S193-R221 WeakPolarHBondContact O-CA 3.42Å; S193-R221 VanDerWaalsContact O-CB 3.31Å; S193-R221 WeakPolarHBondContact O-CB 3.15Å; S193-R221 PolarHBondContact O-N 3.21Å; S193-R221 VanDerWaalsContact O-N 3.12Å; D194-R221 IonicContact OD1-CZ 3.91Å; D194-R221 IonicContact OD1-NE 2.69Å; D194-R221 IonicContact OD1-NH2 2.79Å; D194-R221 PolarHBondContact OD1-NH2 3.48Å; D194-R221 IonicContact OD2-CZ 3.93Å; D194-R221 VanDerWaalsContact OD2-CZ 3.32Å; D194-R221 IonicContact OD2-NE 3.58Å; D194-R221 IonicContact OD2-NH1 3.98Å; D194-R221 IonicContact OD2-NH2 3.78Å; D194-R221 PolarHBondContact OD2-NH2 2.86Å; R221-Q264 PolarHBondContact O-N 3.5Å
222	R	96.8	Very high	94	Very high	22 Å²	22	25.4 Å²	25.4	8%	0.083	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.1	-171.6	-172	168.5	59.8	133.9	3.2	111.3	S193 D194 V195 V224 Q264 E266 D280	S193-R222 PolarHBondContact O-N 3.04Å; D194-R222 WeakPolarHBondContact CA-O 3.33Å; D194-R222 WeakPolarHBondContact OD1-CB 3.37Å; D194-R222 IonicContact OD1-CZ 3.89Å; D194-R222 IonicContact OD1-NE 2.6Å; D194-R222 PolarHBondContact OD1-NE 3.17Å; D194-R222 IonicContact OD1-NH2 3.69Å; D194-R222 PolarHBondContact OD1-NH2 3.35Å; V195-R222 PolarHBondContact N-O 3.26Å; V195-R222 VanDerWaalsContact N-O 3.08Å; R222-V224 HydrophobicContact CG-CG2 4.18Å; R222-Q264 CarbonylContact C-O 3.57Å; R222-Q264 WeakPolarHBondContact CA-O 3.28Å; R222-Q264 HydrophobicContact CG-CB 4.48Å; R222-Q264 HydrophobicContact CG-CG 4.42Å; R222-E266 VanDerWaalsContact CD-OE1 3.23Å; R222-E266 WeakPolarHBondContact CD-OE1 3.44Å; R222-E266 IonicContact NH1-OE1 2.94Å; R222-E266 IonicContact NH1-OE2 3.98Å; R222-E266 PolarHBondContact NH1-OE2 2.84Å; R222-D280 IonicContact CZ-OD2 3.19Å; R222-D280 VanDerWaalsContact CZ-OD2 3.26Å; R222-D280 IonicContact NH1-OD2 2.84Å; R222-D280 PolarHBondContact NH1-OD2 2.87Å; R222-D280 IonicContact NH2-OD1 2.82Å; R222-D280 PolarHBondContact NH2-OD1 2.89Å; R222-D280 IonicContact NH2-OD2 2.72Å; R222-D280 PolarHBondContact NH2-OD2 3.1Å
223	F	97.9	Very high	93.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	113.9	176.7	-177.1	-153.4	0	0	0	110.5	V195 V197 L212 S215 A219 I225 L256 L263 Q264 V265 E266	V195-F223 HydrophobicContact CB-CD2 4.27Å; V195-F223 HydrophobicContact CG1-CD2 4.3Å; V195-F223 HydrophobicContact CG1-CE2 4.35Å; V195-F223 WeakPolarHBondContact O-CA 3.29Å; V197-F223 HydrophobicContact CB-CE2 4.13Å; V197-F223 HydrophobicContact CB-CZ 4.44Å; V197-F223 HydrophobicContact CG1-CE2 3.56Å; V197-F223 HydrophobicContact CG1-CZ 3.6Å; L212-F223 HydrophobicContact CD2-CE1 4.26Å; L212-F223 HydrophobicContact CD2-CZ 4.06Å; S215-F223 VanDerWaalsContact CB-CE2 3.46Å; A219-F223 HydrophobicContact CB-CB 4.31Å; F223-I225 HydrophobicContact CD1-CD1 4.08Å; F223-I225 HydrophobicContact CD1-CG1 4.32Å; F223-I225 HydrophobicContact CD2-CG1 4.32Å; F223-I225 HydrophobicContact CE1-CD1 3.69Å; F223-I225 HydrophobicContact CE1-CG1 4.04Å; F223-I225 HydrophobicContact CE2-CG1 4.02Å; F223-I225 HydrophobicContact CG-CG1 4.46Å; F223-I225 HydrophobicContact CZ-CD1 3.94Å; F223-I225 HydrophobicContact CZ-CG1 3.86Å; F223-L256 HydrophobicContact CD1-CD2 4.13Å; F223-L256 HydrophobicContact CE1-CD2 3.78Å; F223-L263 HydrophobicContact CB-CD1 4.15Å; F223-Q264 PolarHBondContact N-O 2.63Å; F223-V265 WeakPolarHBondContact O-CA 3.46Å; F223-E266 PolarHBondContact O-N 3.32Å
224	V	98.3	Very high	93.3	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.8	-176.6	-175.7	0	0	0	0	109.9	V195 V196 V197 R222 E266 L268 V276 L283	V195-V224 PolarHBondContact O-N 3.11Å; V196-V224 CarbonylContact C-O 3.05Å; V196-V224 VanDerWaalsContact CA-O 3.27Å; V196-V224 WeakPolarHBondContact CA-O 3.36Å; V196-V224 HydrophobicContact CB-CB 4.33Å; V196-V224 HydrophobicContact CG2-CB 4.15Å; V196-V224 HydrophobicContact CG2-CG1 4.23Å; V197-V224 PolarHBondContact N-O 2.85Å; R222-V224 HydrophobicContact CG-CG2 4.18Å; V224-E266 CarbonylContact C-O 3.54Å; V224-E266 WeakPolarHBondContact CA-O 3.41Å; V224-E266 HydrophobicContact CG2-CB 4.38Å; V224-L268 HydrophobicContact CG1-CD1 4.16Å; V224-V276 HydrophobicContact CG1-CG2 3.77Å; V224-L283 HydrophobicContact CB-CD2 4.41Å; V224-L283 HydrophobicContact CG2-CD2 4.01Å
225	I	98.3	Very high	92.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	112.2	-175.8	-53.6	177.2	0	0	0	109.3	V197 F201 L212 F223 V227 L252 L256 V265 E266 I267 L268	V197-I225 HydrophobicContact CG1-CB 4.26Å; V197-I225 HydrophobicContact CG1-CG1 3.9Å; V197-I225 HydrophobicContact CG1-CG2 4.01Å; V197-I225 CarbonylContact O-C 3.49Å; V197-I225 WeakPolarHBondContact O-CA 3.09Å; F201-I225 HydrophobicContact CD2-CG2 4.15Å; F201-I225 HydrophobicContact CE2-CG2 3.52Å; F201-I225 HydrophobicContact CZ-CG2 3.96Å; L212-I225 HydrophobicContact CD2-CD1 4Å; F223-I225 HydrophobicContact CD1-CD1 4.08Å; F223-I225 HydrophobicContact CD1-CG1 4.32Å; F223-I225 HydrophobicContact CD2-CG1 4.32Å; F223-I225 HydrophobicContact CE1-CD1 3.69Å; F223-I225 HydrophobicContact CE1-CG1 4.04Å; F223-I225 HydrophobicContact CE2-CG1 4.02Å; F223-I225 HydrophobicContact CG-CG1 4.46Å; F223-I225 HydrophobicContact CZ-CD1 3.94Å; F223-I225 HydrophobicContact CZ-CG1 3.86Å; I225-V227 HydrophobicContact CG2-CG2 4.02Å; I225-L252 HydrophobicContact CG2-CD1 4.33Å; I225-L256 HydrophobicContact CD1-CD1 3.17Å; I225-L256 HydrophobicContact CD1-CD2 4.34Å; I225-L256 HydrophobicContact CD1-CG 4.36Å; I225-V265 HydrophobicContact CD1-CG1 4.29Å; I225-E266 PolarHBondContact N-O 3.31Å; I225-I267 HydrophobicContact CB-CG1 4.38Å; I225-I267 HydrophobicContact CD1-CG1 4.44Å; I225-I267 WeakPolarHBondContact O-CA 3.31Å; I225-L268 PolarHBondContact O-N 2.84Å
226	G	97	Very high	92.5	Very high	9 Å²	9	46.8 Å²	46.8	9%	0.093	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.9	171.2	0	0	0	0	0	111	V197 G198 G199	V197-G226 PolarHBondContact O-N 2.94Å; G198-G226 CarbonylContact C-O 3.52Å; G198-G226 WeakPolarHBondContact CA-O 3.4Å; G199-G226 PolarHBondContact N-O 3.46Å
227	V	96.8	Very high	92.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	115.5	-178.2	177.9	0	0	0	0	109.7	G199 F201 I225 D229 Y245 L252 I267 L268 L270	G199-V227 WeakPolarHBondContact O-CA 3.39Å; F201-V227 HydrophobicContact CD2-CG2 4.01Å; I225-V227 HydrophobicContact CG2-CG2 4.02Å; V227-D229 PolarHBondContact O-N 3.3Å; V227-Y245 HydrophobicContact CB-CD2 4.48Å; V227-Y245 HydrophobicContact CB-CE2 3.83Å; V227-Y245 HydrophobicContact CG1-CD2 3.94Å; V227-Y245 HydrophobicContact CG1-CE2 3.79Å; V227-L252 HydrophobicContact CG2-CD1 3.49Å; V227-L252 VanDerWaalsContact CG2-CD1 3.49Å; V227-I267 HydrophobicContact CB-CG2 4.46Å; V227-I267 HydrophobicContact CG2-CG2 3.45Å; V227-I267 VanDerWaalsContact CG2-CG2 3.45Å; V227-L268 PolarHBondContact N-O 3.14Å; V227-L270 WeakPolarHBondContact O-CB 3.37Å; V227-L270 PolarHBondContact O-N 2.9Å
228	C	94.4	Very high	92.1	Very high	8 Å²	8	50.2 Å²	50.2	5%	0.054	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	133.2	-179.7	-63.1	0	0	0	0	111.7	G199 M232 L233 R248	G199-C228 VanDerWaalsContact C-SG 3.56Å; G199-C228 PolarHBondContact O-N 2.76Å; G199-C228 PolarHBondContact O-SG 3.32Å; C228-M232 HydrophobicContact CB-CB 3.79Å; C228-L233 HydrophobicContact CB-CD2 3.7Å; C228-R248 PolarHBondContact O-NH1 2.9Å; C228-R248 PolarHBondContact O-NH2 2.91Å
229	D	91.1	Very high	92.1	Very high	34 Å²	34	53.1 Å²	53.1	18%	0.182	26%	0.257	C	S	.	.			trans	-131.7	162.8	171.8	-161.5	21.7	0	0	0	112.2	V227 A231 M232 Y245 L270	V227-D229 PolarHBondContact O-N 3.3Å; D229-A231 PolarHBondContact O-N 3.17Å; D229-M232 PolarHBondContact O-N 3.22Å; D229-Y245 HydrophobicContact CB-CD2 4.05Å; D229-L270 PolarHBondContact N-O 3.4Å
230	Q	84.6	Confident	92	Very high	147 Å²	147	54.3 Å²	54.3	69%	0.687	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	24.1	-82.5	175.5	-60.9	-175.8	24.2	0	0	116.2	M232 L233 K234	Q230-M232 VanDerWaalsContact C-N 3.33Å; Q230-M232 PolarHBondContact O-N 2.67Å; Q230-L233 PolarHBondContact O-N 3Å; Q230-L233 VanDerWaalsContact O-N 3.12Å; Q230-K234 PolarHBondContact O-N 2.84Å
231	A	86.3	Confident	92.1	Very high	56 Å²	56	51.3 Å²	51.3	46%	0.463	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-57.2	-42.2	-177.9	0	0	0	0	0	112.9	D229 L233 E271	D229-A231 PolarHBondContact O-N 3.17Å; A231-L233 PolarHBondContact O-N 3.08Å; A231-E271 WeakPolarHBondContact CB-O 3.27Å
232	M	89.9	Confident	92.1	Very high	52 Å²	52	46.5 Å²	46.5	26%	0.256	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-73.5	-13.3	-179.6	-69.7	-67.5	-79	0	0	113.3	C228 D229 Q230 L270 P273	C228-M232 HydrophobicContact CB-CB 3.79Å; D229-M232 PolarHBondContact O-N 3.22Å; Q230-M232 VanDerWaalsContact C-N 3.33Å; Q230-M232 PolarHBondContact O-N 2.67Å; M232-L270 HydrophobicContact CE-CD2 4.08Å; M232-L270 VanDerWaalsContact CG-O 3.29Å; M232-L270 WeakPolarHBondContact CG-O 3.32Å; M232-P273 HydrophobicContact CE-CB 4.32Å; M232-P273 HydrophobicContact CE-CG 4.25Å; M232-P273 HydrophobicContact SD-CG 4.12Å
233	L	89.6	Confident	91.9	Very high	22 Å²	22	46.2 Å²	46.2	12%	0.115	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-97.1	-15.2	-178.4	-55.8	-177.1	0	0	0	113.4	T200 C228 Q230 A231 K235 K236 K239 I242	T200-L233 HydrophobicContact CG2-CD2 3.75Å; C228-L233 HydrophobicContact CB-CD2 3.7Å; Q230-L233 PolarHBondContact O-N 3Å; Q230-L233 VanDerWaalsContact O-N 3.12Å; A231-L233 PolarHBondContact O-N 3.08Å; L233-K235 VanDerWaalsContact C-N 3.25Å; L233-K235 PolarHBondContact O-N 2.63Å; L233-K235 VanDerWaalsContact O-N 3.12Å; L233-K236 HydrophobicContact CD2-CG 4.48Å; L233-K236 WeakPolarHBondContact O-CB 3.46Å; L233-K236 PolarHBondContact O-N 3.25Å; L233-K239 WeakPolarHBondContact O-CB 3.38Å; L233-I242 HydrophobicContact CB-CD1 4.35Å; L233-I242 HydrophobicContact CD1-CG2 4.17Å; L233-I242 HydrophobicContact CD2-CD1 4.06Å
234	K	85.9	Confident	91.7	Very high	145 Å²	145	50.1 Å²	50.1	63%	0.63	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-34.9	-171.4	-71.1	-176.3	179.5	178.5	0	114.5	Q230 K239	Q230-K234 PolarHBondContact O-N 2.84Å; K234-K239 WeakPolarHBondContact O-CD 3.35Å
235	K	85.3	Confident	91.5	Very high	199 Å²	199	53 Å²	53	87%	0.865	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	2	-177.6	-62.5	-174.2	177.7	-175.7	0	113.7	L233	L233-K235 VanDerWaalsContact C-N 3.25Å; L233-K235 PolarHBondContact O-N 2.63Å; L233-K235 VanDerWaalsContact O-N 3.12Å
236	K	87.9	Confident	91.4	Very high	88 Å²	88	56.8 Å²	56.8	38%	0.383	29%	0.292	S	S	.	.	S	Bend	trans	-76	137.4	-178.5	-64.2	-66.3	-174.1	179	0	110.1	L233 L238 K239 I242	L233-K236 HydrophobicContact CD2-CG 4.48Å; L233-K236 WeakPolarHBondContact O-CB 3.46Å; L233-K236 PolarHBondContact O-N 3.25Å; K236-L238 PolarHBondContact O-N 3.27Å; K236-K239 HydrophobicContact CB-CB 4.48Å; K236-K239 WeakPolarHBondContact O-CB 3.39Å; K236-K239 PolarHBondContact O-N 3.33Å; K236-I242 HydrophobicContact CB-CD1 3.87Å; K236-I242 HydrophobicContact CG-CD1 4.28Å
237	V	88.8	Confident	91.4	Very high	65 Å²	65	58.6 Å²	58.6	39%	0.394	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	129.4	175.5	177.1	0	0	0	0	109.4	K239 R338 W537	V237-K239 VanDerWaalsContact C-N 3.34Å; V237-K239 PolarHBondContact O-N 3.46Å; V237-R338 VanDerWaalsContact O-CZ 3.31Å; V237-R338 PolarHBondContact O-NE 2.78Å; V237-R338 PolarHBondContact O-NH2 3.11Å; V237-W537 HydrophobicContact CG1-CZ2 4.13Å
238	L	92.1	Very high	91.4	Very high	12 Å²	12	58.6 Å²	58.6	6%	0.063	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	44.3	-174.9	-54.6	170.8	0	0	0	112.8	K236 E240 L241 R338 L342 I491 W537	K236-L238 PolarHBondContact O-N 3.27Å; L238-E240 PolarHBondContact O-N 3.35Å; L238-L241 HydrophobicContact CB-CD1 4.25Å; L238-L241 HydrophobicContact CD1-CD1 4.24Å; L238-L241 PolarHBondContact O-N 2.96Å; L238-R338 HydrophobicContact CB-CB 4.14Å; L238-R338 HydrophobicContact CD1-CB 3.95Å; L238-R338 WeakPolarHBondContact O-CD 3.3Å; L238-R338 PolarHBondContact O-NE 2.8Å; L238-L342 HydrophobicContact CD1-CD1 3.9Å; L238-L342 HydrophobicContact CD1-CG 4.26Å; L238-L342 HydrophobicContact CD2-CD1 4.29Å; L238-L342 HydrophobicContact CD2-CD2 4.44Å; L238-I491 HydrophobicContact CD2-CD1 3.88Å; L238-I491 HydrophobicContact CD2-CG1 4.41Å; L238-W537 HydrophobicContact CD1-CH2 4.07Å; L238-W537 HydrophobicContact CD2-CH2 4.38Å; L238-W537 HydrophobicContact CG-CH2 4.35Å
239	K	92.6	Very high	91.5	Very high	62 Å²	62	59 Å²	59	27%	0.27	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-53	-27.3	-179.4	66.2	-176.4	-179.4	-176.1	0	113.5	L233 K234 K236 V237 L241 I242 E494	L233-K239 WeakPolarHBondContact O-CB 3.38Å; K234-K239 WeakPolarHBondContact O-CD 3.35Å; K236-K239 HydrophobicContact CB-CB 4.48Å; K236-K239 WeakPolarHBondContact O-CB 3.39Å; K236-K239 PolarHBondContact O-N 3.33Å; V237-K239 VanDerWaalsContact C-N 3.34Å; V237-K239 PolarHBondContact O-N 3.46Å; K239-L241 PolarHBondContact O-N 3.37Å; K239-I242 HydrophobicContact CB-CD1 4.23Å; K239-I242 WeakPolarHBondContact O-CB 3.36Å; K239-I242 WeakPolarHBondContact O-CG1 3.34Å; K239-I242 PolarHBondContact O-N 3.06Å; K239-E494 IonicContact NZ-OE1 3.16Å; K239-E494 PolarHBondContact NZ-OE1 2.98Å
240	E	92.6	Very high	91.8	Very high	25 Å²	25	62.4 Å²	62.4	12%	0.117	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-66.6	-23	178.7	-58.8	81.3	178.4	0	0	113.3	L238 I491 S522 V526	L238-E240 PolarHBondContact O-N 3.35Å; E240-I491 HydrophobicContact CB-CD1 4.34Å; E240-S522 VanDerWaalsContact CG-OG 3.31Å; E240-S522 WeakPolarHBondContact CG-OG 3.43Å; E240-S522 PolarHBondContact OE1-OG 3.15Å; E240-V526 HydrophobicContact CB-CB 4.29Å; E240-V526 HydrophobicContact CB-CG1 4.44Å; E240-V526 HydrophobicContact CB-CG2 3.89Å; E240-V526 HydrophobicContact CG-CG2 4.48Å
241	L	94	Very high	92.3	Very high	10 Å²	10	60 Å²	60	5%	0.052	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-95.7	0.7	179.3	-62.7	179.4	0	0	0	113.3	L238 K239 R338 L341 L342 L346 V526 V532	L238-L241 HydrophobicContact CB-CD1 4.25Å; L238-L241 HydrophobicContact CD1-CD1 4.24Å; L238-L241 PolarHBondContact O-N 2.96Å; K239-L241 PolarHBondContact O-N 3.37Å; L241-R338 HydrophobicContact CB-CB 4.24Å; L241-R338 HydrophobicContact CB-CG 4.05Å; L241-R338 HydrophobicContact CD1-CB 4.46Å; L241-L341 HydrophobicContact CD1-CB 4.49Å; L241-L342 HydrophobicContact CD1-CD2 3.82Å; L241-L342 HydrophobicContact CD1-CG 4.48Å; L241-L346 HydrophobicContact CD2-CD1 3.78Å; L241-V526 HydrophobicContact CD2-CG1 3.89Å; L241-V532 HydrophobicContact CD2-CB 4.27Å; L241-V532 HydrophobicContact CD2-CG1 4.29Å; L241-V532 HydrophobicContact CD2-CG2 4.17Å
242	I	93.8	Very high	92.9	Very high	20 Å²	20	57.3 Å²	57.3	10%	0.103	28%	0.281	C	S	.	.	S	Bend	trans	-69.8	135.2	174.7	-63	177.6	0	0	0	109.2	D202 L233 K236 K239	D202-I242 HydrophobicContact CB-CG2 4.27Å; L233-I242 HydrophobicContact CB-CD1 4.35Å; L233-I242 HydrophobicContact CD1-CG2 4.17Å; L233-I242 HydrophobicContact CD2-CD1 4.06Å; K236-I242 HydrophobicContact CB-CD1 3.87Å; K236-I242 HydrophobicContact CG-CD1 4.28Å; K239-I242 HydrophobicContact CB-CD1 4.23Å; K239-I242 WeakPolarHBondContact O-CB 3.36Å; K239-I242 WeakPolarHBondContact O-CG1 3.34Å; K239-I242 PolarHBondContact O-N 3.06Å
243	E	93.3	Very high	93.2	Very high	16 Å²	16	59.9 Å²	59.9	8%	0.075	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-64.9	145.2	177.7	-70.7	177.8	153.4	0	0	112	D202 R203 V247 R248 R251	D202-E243 PolarHBondContact OD1-N 3.28Å; R203-E243 HydrophobicContact CG-CG 4.13Å; R203-E243 IonicContact CZ-OE1 3.38Å; R203-E243 PolarHBondContact N-OE2 3.29Å; R203-E243 IonicContact NH1-OE1 3.32Å; R203-E243 PolarHBondContact NH1-OE1 2.93Å; E243-V247 HydrophobicContact CB-CG1 4.44Å; E243-R248 HydrophobicContact CB-CG 3.79Å; E243-R248 WeakPolarHBondContact O-CD 3.24Å; E243-R248 PolarHBondContact O-NE 2.99Å; E243-R251 IonicContact OE1-CZ 2.76Å; E243-R251 IonicContact OE1-NH1 3.29Å; E243-R251 PolarHBondContact OE1-NH1 3.33Å; E243-R251 IonicContact OE1-NH2 3.71Å; E243-R251 PolarHBondContact OE1-NH2 3.45Å; E243-R251 IonicContact OE2-CZ 3.34Å; E243-R251 IonicContact OE2-NH1 4Å; E243-R251 PolarHBondContact OE2-NH1 2.84Å
244	P	93.2	Very high	93.5	Very high	82 Å²	82	60.2 Å²	60.2	53%	0.532	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-52.6	147.1	175.7	-25.5	34	0	0	0	112	S246 V247 R248	P244-S246 VanDerWaalsContact C-N 3.27Å; P244-S246 PolarHBondContact O-N 3.3Å; P244-V247 HydrophobicContact CB-CG2 4.25Å; P244-V247 HydrophobicContact CG-CG2 4.3Å; P244-V247 PolarHBondContact O-N 2.65Å; P244-R248 PolarHBondContact O-N 3.05Å; P244-R248 VanDerWaalsContact O-N 3.12Å
245	Y	94.9	Very high	94	Very high	60 Å²	60	53.4 Å²	53.4	24%	0.235	26%	0.263	C	S	.	.	H	α-helix	trans	-49.7	-47.1	-180	175.2	-94.7	0	0	0	112.6	V227 D229 V247 R248 V249 P269	V227-Y245 HydrophobicContact CB-CD2 4.48Å; V227-Y245 HydrophobicContact CB-CE2 3.83Å; V227-Y245 HydrophobicContact CG1-CD2 3.94Å; V227-Y245 HydrophobicContact CG1-CE2 3.79Å; D229-Y245 HydrophobicContact CB-CD2 4.05Å; Y245-V247 VanDerWaalsContact C-N 3.34Å; Y245-V247 PolarHBondContact O-N 3.37Å; Y245-R248 PolarHBondContact O-N 3.03Å; Y245-V249 HydrophobicContact CD1-CG2 4.06Å; Y245-V249 HydrophobicContact CD2-CG2 4.27Å; Y245-V249 HydrophobicContact CE1-CG2 3.57Å; Y245-V249 HydrophobicContact CE2-CG2 3.8Å; Y245-V249 HydrophobicContact CG-CG2 4.38Å; Y245-V249 VanDerWaalsContact CZ-CG2 3.41Å; Y245-V249 WeakPolarHBondContact O-CG2 3.37Å; Y245-V249 PolarHBondContact O-N 2.63Å; Y245-P269 HydrophobicContact CE2-CB 3.91Å; Y245-P269 WeakPolarHBondContact OH-CD 3.35Å; Y245-P269 VanDerWaalsContact OH-N 3.11Å
246	S	95.9	Very high	94.6	Very high	80 Å²	80	44.1 Å²	44.1	56%	0.559	22%	0.223	S	C	*	.	H	α-helix	trans	-58.5	-41.8	179.3	52.1	0	0	0	0	113.3	P244 V249 Q250	P244-S246 VanDerWaalsContact C-N 3.27Å; P244-S246 PolarHBondContact O-N 3.3Å; S246-V249 PolarHBondContact O-N 3.04Å; S246-Q250 WeakPolarHBondContact O-CB 3.38Å; S246-Q250 PolarHBondContact O-N 3.43Å
247	V	95.8	Very high	94.9	Very high	47 Å²	47	44.7 Å²	44.7	29%	0.285	23%	0.227	S	C	.	.	H	α-helix	trans	-67.2	-42.5	179	177.2	0	0	0	0	110.8	E243 P244 Y245 Q250 R251	E243-V247 HydrophobicContact CB-CG1 4.44Å; P244-V247 HydrophobicContact CB-CG2 4.25Å; P244-V247 HydrophobicContact CG-CG2 4.3Å; P244-V247 PolarHBondContact O-N 2.65Å; Y245-V247 VanDerWaalsContact C-N 3.34Å; Y245-V247 PolarHBondContact O-N 3.37Å; V247-Q250 PolarHBondContact O-N 3.16Å; V247-R251 WeakPolarHBondContact O-CG 3.12Å; V247-R251 PolarHBondContact O-N 3.21Å
248	R	96.8	Very high	95.2	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-64.8	-43.2	177.4	-67.5	-176.6	-71.3	120.2	1.5	111.7	T200 C228 E243 P244 Y245 R251 L252	T200-R248 PolarHBondContact O-NH1 2.91Å; C228-R248 PolarHBondContact O-NH1 2.9Å; C228-R248 PolarHBondContact O-NH2 2.91Å; E243-R248 HydrophobicContact CB-CG 3.79Å; E243-R248 WeakPolarHBondContact O-CD 3.24Å; E243-R248 PolarHBondContact O-NE 2.99Å; P244-R248 PolarHBondContact O-N 3.05Å; P244-R248 VanDerWaalsContact O-N 3.12Å; Y245-R248 PolarHBondContact O-N 3.03Å; R248-R251 PolarHBondContact O-N 3.45Å; R248-L252 WeakPolarHBondContact O-CG 3.34Å; R248-L252 PolarHBondContact O-N 3.38Å
249	V	97.8	Very high	95.4	Very high	17 Å²	17	41 Å²	41	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-62.7	-47.2	175.6	169.6	0	0	0	0	111.2	Y245 S246 R251 L252 Q253 I267	Y245-V249 HydrophobicContact CD1-CG2 4.06Å; Y245-V249 HydrophobicContact CD2-CG2 4.27Å; Y245-V249 HydrophobicContact CE1-CG2 3.57Å; Y245-V249 HydrophobicContact CE2-CG2 3.8Å; Y245-V249 HydrophobicContact CG-CG2 4.38Å; Y245-V249 VanDerWaalsContact CZ-CG2 3.41Å; Y245-V249 WeakPolarHBondContact O-CG2 3.37Å; Y245-V249 PolarHBondContact O-N 2.63Å; S246-V249 PolarHBondContact O-N 3.04Å; V249-R251 PolarHBondContact O-N 2.97Å; V249-L252 WeakPolarHBondContact O-CB 3.38Å; V249-L252 PolarHBondContact O-N 3.32Å; V249-Q253 HydrophobicContact CG1-CG 4.34Å; V249-Q253 WeakPolarHBondContact O-CG 3.42Å; V249-Q253 PolarHBondContact O-N 3.31Å; V249-I267 HydrophobicContact CB-CG2 4.48Å; V249-I267 HydrophobicContact CG1-CB 4.4Å; V249-I267 HydrophobicContact CG1-CD1 4.36Å; V249-I267 HydrophobicContact CG1-CG2 4.13Å; V249-I267 HydrophobicContact CG2-CG2 3.87Å
250	Q	96.9	Very high	95.4	Very high	105 Å²	105	38.6 Å²	38.6	49%	0.491	20%	0.195	S	C	.	.	H	α-helix	trans	-57	-49	178.1	-177.9	-174.2	-14.1	0	0	111.1	S246 V247 L252 Q253 E254	S246-Q250 WeakPolarHBondContact O-CB 3.38Å; S246-Q250 PolarHBondContact O-N 3.43Å; V247-Q250 PolarHBondContact O-N 3.16Å; Q250-L252 VanDerWaalsContact C-N 3.31Å; Q250-L252 PolarHBondContact O-N 3.03Å; Q250-Q253 WeakPolarHBondContact O-CB 3.36Å; Q250-Q253 PolarHBondContact O-N 3.24Å; Q250-Q253 VanDerWaalsContact O-N 3.11Å; Q250-E254 HydrophobicContact CG-CG 4.5Å; Q250-E254 WeakPolarHBondContact CG-OE1 3.29Å; Q250-E254 PolarHBondContact NE2-OE1 3.35Å; Q250-E254 WeakPolarHBondContact O-CG 3.47Å; Q250-E254 PolarHBondContact O-N 3.4Å
251	R	95.9	Very high	95.4	Very high	96 Å²	96	40 Å²	40	36%	0.362	21%	0.206	S	C	.	.	H	α-helix	trans	-63	-35.9	178.6	-72.9	-177	178.9	171.1	8	113.3	L204 E243 V247 R248 V249 F255	L204-R251 HydrophobicContact CD1-CB 4.14Å; E243-R251 IonicContact OE1-CZ 2.76Å; E243-R251 IonicContact OE1-NH1 3.29Å; E243-R251 PolarHBondContact OE1-NH1 3.33Å; E243-R251 IonicContact OE1-NH2 3.71Å; E243-R251 PolarHBondContact OE1-NH2 3.45Å; E243-R251 IonicContact OE2-CZ 3.34Å; E243-R251 IonicContact OE2-NH1 4Å; E243-R251 PolarHBondContact OE2-NH1 2.84Å; V247-R251 WeakPolarHBondContact O-CG 3.12Å; V247-R251 PolarHBondContact O-N 3.21Å; R248-R251 PolarHBondContact O-N 3.45Å; V249-R251 PolarHBondContact O-N 2.97Å; R251-F255 VanDerWaalsContact O-CB 3.29Å; R251-F255 WeakPolarHBondContact O-CB 3.35Å; R251-F255 PolarHBondContact O-N 3.47Å
252	L	97.2	Very high	95.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-44.8	172.5	-78.8	167.4	0	0	0	111.2	F201 L204 L212 I225 V227 R248 V249 Q250 F255 L256 I267	F201-L252 HydrophobicContact CB-CD1 3.81Å; F201-L252 HydrophobicContact CB-CD2 4.19Å; F201-L252 HydrophobicContact CB-CG 4.23Å; F201-L252 HydrophobicContact CD1-CD2 4.03Å; F201-L252 HydrophobicContact CD2-CD1 4.02Å; F201-L252 HydrophobicContact CG-CD1 3.95Å; F201-L252 HydrophobicContact CG-CD2 4.05Å; F201-L252 HydrophobicContact CG-CG 4.48Å; L204-L252 HydrophobicContact CD1-CD2 4.13Å; L204-L252 HydrophobicContact CD1-CG 4.38Å; L204-L252 HydrophobicContact CD2-CD2 3.82Å; L204-L252 HydrophobicContact CD2-CG 4.42Å; L212-L252 HydrophobicContact CD1-CD2 3.47Å; L212-L252 VanDerWaalsContact CD1-CD2 3.47Å; L212-L252 HydrophobicContact CD2-CD2 4.15Å; L212-L252 HydrophobicContact CG-CD2 4.47Å; I225-L252 HydrophobicContact CG2-CD1 4.33Å; V227-L252 HydrophobicContact CG2-CD1 3.49Å; V227-L252 VanDerWaalsContact CG2-CD1 3.49Å; R248-L252 WeakPolarHBondContact O-CG 3.34Å; R248-L252 PolarHBondContact O-N 3.38Å; V249-L252 WeakPolarHBondContact O-CB 3.38Å; V249-L252 PolarHBondContact O-N 3.32Å; Q250-L252 VanDerWaalsContact C-N 3.31Å; Q250-L252 PolarHBondContact O-N 3.03Å; L252-F255 PolarHBondContact O-N 3Å; L252-L256 WeakPolarHBondContact O-CB 3.32Å; L252-L256 VanDerWaalsContact O-CD1 3.3Å; L252-L256 WeakPolarHBondContact O-CD1 3.08Å; L252-L256 WeakPolarHBondContact O-CG 3.38Å; L252-L256 PolarHBondContact O-N 3.04Å; L252-I267 HydrophobicContact CB-CD1 3.7Å; L252-I267 HydrophobicContact CD1-CG2 4.48Å
253	Q	96.8	Very high	95.3	Very high	106 Å²	106	43.5 Å²	43.5	50%	0.495	23%	0.232	S	C	.	.	H	α-helix	trans	-59.7	-49.4	177.1	-70.2	173.6	-28.2	0	0	111.1	V249 Q250 F255 L256 Q257 I267	V249-Q253 HydrophobicContact CG1-CG 4.34Å; V249-Q253 WeakPolarHBondContact O-CG 3.42Å; V249-Q253 PolarHBondContact O-N 3.31Å; Q250-Q253 WeakPolarHBondContact O-CB 3.36Å; Q250-Q253 PolarHBondContact O-N 3.24Å; Q250-Q253 VanDerWaalsContact O-N 3.11Å; Q253-F255 VanDerWaalsContact C-N 3.34Å; Q253-F255 PolarHBondContact O-N 2.9Å; Q253-L256 PolarHBondContact O-N 2.98Å; Q253-Q257 VanDerWaalsContact O-CB 3.29Å; Q253-Q257 WeakPolarHBondContact O-CB 3.22Å; Q253-Q257 PolarHBondContact O-N 2.6Å; Q253-I267 HydrophobicContact CG-CD1 3.61Å
254	E	95.8	Very high	95.5	Very high	28 Å²	28	47.7 Å²	47.7	13%	0.131	25%	0.252	C	S	.	.	H	α-helix	trans	-57.3	-47	176.9	-67.7	171.8	-174	0	0	111.3	R90 F120 Q250 L256 D258	R90-E254 PolarHBondContact NH1-O 2.69Å; F120-E254 HydrophobicContact CD1-CG 4.36Å; F120-E254 HydrophobicContact CD2-CB 4.34Å; F120-E254 HydrophobicContact CD2-CG 3.84Å; F120-E254 HydrophobicContact CE1-CG 4.12Å; F120-E254 HydrophobicContact CE2-CG 3.59Å; F120-E254 HydrophobicContact CG-CB 4.35Å; F120-E254 HydrophobicContact CG-CG 4.22Å; F120-E254 HydrophobicContact CZ-CG 3.73Å; F120-E254 VanDerWaalsContact CZ-OE1 3.22Å; F120-E254 WeakPolarHBondContact CZ-OE1 3.38Å; Q250-E254 HydrophobicContact CG-CG 4.5Å; Q250-E254 WeakPolarHBondContact CG-OE1 3.29Å; Q250-E254 PolarHBondContact NE2-OE1 3.35Å; Q250-E254 WeakPolarHBondContact O-CG 3.47Å; Q250-E254 PolarHBondContact O-N 3.4Å; E254-L256 PolarHBondContact O-N 3.11Å; E254-D258 PolarHBondContact O-N 3.32Å
255	F	97.3	Very high	95.7	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-44.1	179.1	177.2	-96.3	0	0	0	112.5	R90 L204 K209 L212 R251 L252 Q253 D258 T259	R90-F255 HydrophobicContact CB-CE2 4.42Å; R90-F255 HydrophobicContact CG-CD2 4.02Å; R90-F255 HydrophobicContact CG-CE2 4.14Å; L204-F255 HydrophobicContact CD1-CB 4.08Å; L204-F255 HydrophobicContact CD1-CG 4.45Å; K209-F255 HydrophobicContact CB-CE2 4.04Å; K209-F255 HydrophobicContact CB-CZ 3.88Å; K209-F255 HydrophobicContact CD-CE2 4.04Å; K209-F255 HydrophobicContact CG-CD2 4.34Å; K209-F255 HydrophobicContact CG-CE2 3.67Å; K209-F255 HydrophobicContact CG-CZ 3.97Å; L212-F255 HydrophobicContact CB-CD1 4.37Å; L212-F255 HydrophobicContact CB-CE1 3.73Å; L212-F255 HydrophobicContact CD1-CD1 4.01Å; L212-F255 HydrophobicContact CD1-CE1 4.04Å; R251-F255 VanDerWaalsContact O-CB 3.29Å; R251-F255 WeakPolarHBondContact O-CB 3.35Å; R251-F255 PolarHBondContact O-N 3.47Å; L252-F255 PolarHBondContact O-N 3Å; Q253-F255 VanDerWaalsContact C-N 3.34Å; Q253-F255 PolarHBondContact O-N 2.9Å; F255-D258 PolarHBondContact O-N 3.29Å; F255-T259 WeakPolarHBondContact CE1-OG1 3.41Å; F255-T259 WeakPolarHBondContact CZ-OG1 3.47Å; F255-T259 VanDerWaalsContact O-CB 3.28Å; F255-T259 WeakPolarHBondContact O-CB 3.47Å; F255-T259 PolarHBondContact O-N 3.17Å; F255-T259 PolarHBondContact O-OG1 2.99Å
256	L	96.3	Very high	95.8	Very high	4 Å²	4	46 Å²	46	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-75.4	-33.8	-176	-66.4	163	0	0	0	112.5	F223 I225 L252 Q253 E254 D258 T259 K260 V265 I267	F223-L256 HydrophobicContact CD1-CD2 4.13Å; F223-L256 HydrophobicContact CE1-CD2 3.78Å; I225-L256 HydrophobicContact CD1-CD1 3.17Å; I225-L256 HydrophobicContact CD1-CD2 4.34Å; I225-L256 HydrophobicContact CD1-CG 4.36Å; L252-L256 WeakPolarHBondContact O-CB 3.32Å; L252-L256 VanDerWaalsContact O-CD1 3.3Å; L252-L256 WeakPolarHBondContact O-CD1 3.08Å; L252-L256 WeakPolarHBondContact O-CG 3.38Å; L252-L256 PolarHBondContact O-N 3.04Å; Q253-L256 PolarHBondContact O-N 2.98Å; E254-L256 PolarHBondContact O-N 3.11Å; L256-D258 VanDerWaalsContact C-N 3.31Å; L256-D258 PolarHBondContact O-N 3.22Å; L256-T259 PolarHBondContact O-N 3.44Å; L256-K260 CarbonylContact O-C 3.58Å; L256-K260 PolarHBondContact O-N 3.49Å; L256-V265 HydrophobicContact CB-CG2 4.32Å; L256-V265 HydrophobicContact CD1-CG1 3.62Å; L256-V265 HydrophobicContact CD1-CG2 4.46Å; L256-I267 HydrophobicContact CD1-CD1 4.33Å
257	Q	95.1	Very high	95.9	Very high	100 Å²	100	43.6 Å²	43.6	47%	0.467	22%	0.222	S	C	.	.	H	α-helix	trans	-60	-43	173	-177.6	174.1	4.7	0	0	111	Q253 P261	Q253-Q257 VanDerWaalsContact O-CB 3.29Å; Q253-Q257 WeakPolarHBondContact O-CB 3.22Å; Q253-Q257 PolarHBondContact O-N 2.6Å; Q257-P261 WeakPolarHBondContact O-CB 3.36Å; Q257-P261 WeakPolarHBondContact O-CD 3.32Å
258	D	95.8	Very high	95.9	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-70.7	-43.7	174.8	-71.3	-18.4	0	0	0	111.7	Y43 R90 L92 L119 F120 E254 F255 L256	Y43-D258 HydrophobicContact CE1-CB 3.92Å; Y43-D258 WeakPolarHBondContact CE1-OD2 3.42Å; Y43-D258 PolarHBondContact OH-OD2 3.19Å; R90-D258 IonicContact CZ-OD2 3.82Å; R90-D258 IonicContact NE-OD2 3.26Å; R90-D258 IonicContact NH1-OD2 3.36Å; R90-D258 PolarHBondContact NH1-OD2 3.14Å; L92-D258 HydrophobicContact CD2-CB 4.34Å; L92-D258 VanDerWaalsContact CD2-O 3.23Å; L92-D258 WeakPolarHBondContact CD2-O 3.42Å; L119-D258 WeakPolarHBondContact CA-OD1 3.31Å; L119-D258 HydrophobicContact CD2-CB 4.26Å; F120-D258 PolarHBondContact N-OD1 3.07Å; E254-D258 PolarHBondContact O-N 3.32Å; F255-D258 PolarHBondContact O-N 3.29Å; L256-D258 VanDerWaalsContact C-N 3.31Å; L256-D258 PolarHBondContact O-N 3.22Å
259	T	95.5	Very high	95.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.6	-51.9	-171.9	-60.5	0	0	0	0	112.2	L93 C216 F255 L256	L93-T259 CarbonylContact C-O 3.51Å; L93-T259 WeakPolarHBondContact CA-O 3.42Å; L93-T259 WeakPolarHBondContact CB-O 3.43Å; L93-T259 HydrophobicContact CD1-CG2 3.75Å; L93-T259 HydrophobicContact CG-CG2 3.91Å; L93-T259 PolarHBondContact N-O 3.41Å; C216-T259 HydrophobicContact CB-CG2 4.38Å; F255-T259 WeakPolarHBondContact CE1-OG1 3.41Å; F255-T259 WeakPolarHBondContact CZ-OG1 3.47Å; F255-T259 VanDerWaalsContact O-CB 3.28Å; F255-T259 WeakPolarHBondContact O-CB 3.47Å; F255-T259 PolarHBondContact O-N 3.17Å; F255-T259 PolarHBondContact O-OG1 2.99Å; L256-T259 PolarHBondContact O-N 3.44Å
260	K	93.6	Very high	95.7	Very high	11 Å²	11	46.9 Å²	46.9	5%	0.048	24%	0.241	C	C	.	.			trans	-153.6	76.2	-175.3	-162	172.6	174.8	68.5	0	111.7	L93 I96 C216 L256 S262 L263	L93-K260 HydrophobicContact CB-CB 4.4Å; L93-K260 HydrophobicContact CB-CD 4.45Å; L93-K260 HydrophobicContact CB-CG 4.49Å; I96-K260 PolarHBondContact O-NZ 2.94Å; C216-K260 HydrophobicContact CB-CB 4.13Å; C216-K260 HydrophobicContact CB-CD 3.9Å; C216-K260 WeakPolarHBondContact O-CD 3.47Å; C216-K260 VanDerWaalsContact O-CE 3.27Å; C216-K260 WeakPolarHBondContact O-CE 3.22Å; L256-K260 CarbonylContact O-C 3.58Å; L256-K260 PolarHBondContact O-N 3.49Å; K260-S262 PolarHBondContact O-N 3.26Å; K260-L263 HydrophobicContact CB-CD1 4.28Å; K260-L263 HydrophobicContact CB-CG 4.48Å; K260-L263 HydrophobicContact CD-CD1 3.61Å; K260-L263 HydrophobicContact CD-CD2 4.48Å; K260-L263 HydrophobicContact CD-CG 3.79Å; K260-L263 HydrophobicContact CG-CD1 4.1Å; K260-L263 HydrophobicContact CG-CG 3.96Å; K260-L263 PolarHBondContact O-N 3.28Å
261	P	92.6	Very high	95.4	Very high	53 Å²	53	48.7 Å²	48.7	34%	0.344	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.2	-175.7	24.9	-33.5	0	0	0	114.2	T94 Q257 L263	T94-P261 HydrophobicContact CG2-CG 3.86Å; Q257-P261 WeakPolarHBondContact O-CB 3.36Å; Q257-P261 WeakPolarHBondContact O-CD 3.32Å; P261-L263 PolarHBondContact O-N 2.91Å
262	S	91.4	Very high	95.3	Very high	88 Å²	88	47.2 Å²	47.2	62%	0.615	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.7	178.4	67.5	0	0	0	0	114.2	K260	K260-S262 PolarHBondContact O-N 3.26Å
263	L	93.6	Very high	95	Very high	16 Å²	16	51.5 Å²	51.5	8%	0.084	28%	0.277	C	S	.	.	S	Bend	trans	-89.7	142.8	-179.4	-69.3	-179.8	0	0	0	112.1	C216 A219 F223 K260 P261 V265	C216-L263 HydrophobicContact CB-CD1 4.2Å; A219-L263 HydrophobicContact CB-CD1 3.85Å; A219-L263 HydrophobicContact CB-CD2 4Å; A219-L263 WeakPolarHBondContact O-CD2 3.44Å; F223-L263 HydrophobicContact CB-CD1 4.15Å; K260-L263 HydrophobicContact CB-CD1 4.28Å; K260-L263 HydrophobicContact CB-CG 4.48Å; K260-L263 HydrophobicContact CD-CD1 3.61Å; K260-L263 HydrophobicContact CD-CD2 4.48Å; K260-L263 HydrophobicContact CD-CG 3.79Å; K260-L263 HydrophobicContact CG-CD1 4.1Å; K260-L263 HydrophobicContact CG-CG 3.96Å; K260-L263 PolarHBondContact O-N 3.28Å; P261-L263 PolarHBondContact O-N 2.91Å; L263-V265 HydrophobicContact CB-CG2 4.27Å; L263-V265 PolarHBondContact O-N 3.28Å
264	Q	96.7	Very high	94.8	Very high	105 Å²	105	49.3 Å²	49.3	49%	0.491	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	104.7	163.9	179.8	178.9	-13.3	0	0	108.9	R221 R222 F223 E266	R221-Q264 PolarHBondContact O-N 3.5Å; R222-Q264 CarbonylContact C-O 3.57Å; R222-Q264 WeakPolarHBondContact CA-O 3.28Å; R222-Q264 HydrophobicContact CG-CB 4.48Å; R222-Q264 HydrophobicContact CG-CG 4.42Å; F223-Q264 PolarHBondContact N-O 2.63Å; Q264-E266 PolarHBondContact NE2-OE1 3.12Å
265	V	97.5	Very high	94.6	Very high	52 Å²	52	48.8 Å²	48.8	32%	0.315	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.2	-179.4	177.1	0	0	0	0	110.4	F223 I225 L256 L263 I267	F223-V265 WeakPolarHBondContact O-CA 3.46Å; I225-V265 HydrophobicContact CD1-CG1 4.29Å; L256-V265 HydrophobicContact CB-CG2 4.32Å; L256-V265 HydrophobicContact CD1-CG1 3.62Å; L256-V265 HydrophobicContact CD1-CG2 4.46Å; L263-V265 HydrophobicContact CB-CG2 4.27Å; L263-V265 PolarHBondContact O-N 3.28Å; V265-I267 HydrophobicContact CG1-CD1 4.34Å; V265-I267 HydrophobicContact CG1-CG1 3.87Å
266	E	97.8	Very high	94.5	Very high	55 Å²	55	51.4 Å²	51.4	26%	0.257	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.2	174.5	-72.3	169.6	-156.3	0	0	109.2	R222 F223 V224 I225 Q264	R222-E266 VanDerWaalsContact CD-OE1 3.23Å; R222-E266 WeakPolarHBondContact CD-OE1 3.44Å; R222-E266 IonicContact NH1-OE1 2.94Å; R222-E266 IonicContact NH1-OE2 3.98Å; R222-E266 PolarHBondContact NH1-OE2 2.84Å; F223-E266 PolarHBondContact O-N 3.32Å; V224-E266 CarbonylContact C-O 3.54Å; V224-E266 WeakPolarHBondContact CA-O 3.41Å; V224-E266 HydrophobicContact CG2-CB 4.38Å; I225-E266 PolarHBondContact N-O 3.31Å; Q264-E266 PolarHBondContact NE2-OE1 3.12Å
267	I	97.7	Very high	94.4	Very high	28 Å²	28	51.5 Å²	51.5	14%	0.144	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.6	178.4	-51	-174.6	0	0	0	108.5	I225 V227 V249 L252 Q253 L256 V265	I225-I267 HydrophobicContact CB-CG1 4.38Å; I225-I267 HydrophobicContact CD1-CG1 4.44Å; I225-I267 WeakPolarHBondContact O-CA 3.31Å; V227-I267 HydrophobicContact CB-CG2 4.46Å; V227-I267 HydrophobicContact CG2-CG2 3.45Å; V227-I267 VanDerWaalsContact CG2-CG2 3.45Å; V249-I267 HydrophobicContact CB-CG2 4.48Å; V249-I267 HydrophobicContact CG1-CB 4.4Å; V249-I267 HydrophobicContact CG1-CD1 4.36Å; V249-I267 HydrophobicContact CG1-CG2 4.13Å; V249-I267 HydrophobicContact CG2-CG2 3.87Å; L252-I267 HydrophobicContact CB-CD1 3.7Å; L252-I267 HydrophobicContact CD1-CG2 4.48Å; Q253-I267 HydrophobicContact CG-CD1 3.61Å; L256-I267 HydrophobicContact CD1-CD1 4.33Å; V265-I267 HydrophobicContact CG1-CD1 4.34Å; V265-I267 HydrophobicContact CG1-CG1 3.87Å
268	L	96.5	Very high	94.5	Very high	57 Å²	57	47.8 Å²	47.8	30%	0.298	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.6	-171.4	-60.6	173.8	0	0	0	110.6	V224 I225 V227 V276	V224-L268 HydrophobicContact CG1-CD1 4.16Å; I225-L268 PolarHBondContact O-N 2.84Å; V227-L268 PolarHBondContact N-O 3.14Å; L268-V276 HydrophobicContact CD1-CB 4.33Å; L268-V276 HydrophobicContact CD1-CG1 3.58Å; L268-V276 HydrophobicContact CD1-CG2 3.88Å
269	P	96.1	Very high	94.5	Very high	64 Å²	64	52.8 Å²	52.8	42%	0.416	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	143.7	173.6	29.4	-33.5	0	0	0	110.3	Y245	Y245-P269 HydrophobicContact CE2-CB 3.91Å; Y245-P269 WeakPolarHBondContact OH-CD 3.35Å; Y245-P269 VanDerWaalsContact OH-N 3.11Å
270	L	93.8	Very high	94.6	Very high	14 Å²	14	54 Å²	54	7%	0.073	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	102.4	178	-172.3	72.1	0	0	0	108.8	V227 D229 M232 D272	V227-L270 WeakPolarHBondContact O-CB 3.37Å; V227-L270 PolarHBondContact O-N 2.9Å; D229-L270 PolarHBondContact N-O 3.4Å; M232-L270 HydrophobicContact CE-CD2 4.08Å; M232-L270 VanDerWaalsContact CG-O 3.29Å; M232-L270 WeakPolarHBondContact CG-O 3.32Å; L270-D272 WeakPolarHBondContact CD1-O 3.5Å; L270-D272 WeakPolarHBondContact CG-O 3.39Å
271	E	91.4	Very high	94.7	Very high	142 Å²	142	56.8 Å²	56.8	66%	0.664	32%	0.324	S	S	*	.	S	Bend	trans	-90.5	-23.3	-179.3	-61.7	-174.8	177.4	0	0	112.7	A231	A231-E271 WeakPolarHBondContact CB-O 3.27Å
272	D	92.5	Very high	94.9	Very high	66 Å²	66	58.5 Å²	58.5	35%	0.353	33%	0.33	S	S	.	.	S	Bend	trans	-134.2	168.7	177.1	70.7	71.6	0	0	0	110.9	L270 F274 G275	L270-D272 WeakPolarHBondContact CD1-O 3.5Å; L270-D272 WeakPolarHBondContact CG-O 3.39Å; D272-F274 PolarHBondContact O-N 2.81Å; D272-F274 VanDerWaalsContact O-N 3.07Å; D272-F274 WeakPolarHBondContact OD1-CA 3.3Å; D272-F274 WeakPolarHBondContact OD1-CB 3.48Å; D272-F274 PolarHBondContact OD1-N 3.37Å; D272-G275 PolarHBondContact OD1-N 3.02Å
273	P	90.6	Very high	95.2	Very high	89 Å²	89	54.4 Å²	54.4	58%	0.578	30%	0.301	S	S	*	.	S	Bend	trans	-63.7	-11.8	-176.4	-25.1	36.2	0	0	0	116.8	M232	M232-P273 HydrophobicContact CE-CB 4.32Å; M232-P273 HydrophobicContact CE-CG 4.25Å; M232-P273 HydrophobicContact SD-CG 4.12Å
274	F	93.9	Very high	95.4	Very high	60 Å²	60	58.1 Å²	58.1	26%	0.263	32%	0.316	S	S	.	.	S	Bend	trans	-110	-48.2	-172.6	-49.5	-75.9	0	0	0	112.2	D272 S277 I278 A298 V299 K302	D272-F274 PolarHBondContact O-N 2.81Å; D272-F274 VanDerWaalsContact O-N 3.07Å; D272-F274 WeakPolarHBondContact OD1-CA 3.3Å; D272-F274 WeakPolarHBondContact OD1-CB 3.48Å; D272-F274 PolarHBondContact OD1-N 3.37Å; F274-S277 PolarHBondContact O-N 2.86Å; F274-S277 PolarHBondContact O-OG 3.14Å; F274-I278 HydrophobicContact CB-CB 4.39Å; F274-I278 HydrophobicContact CB-CD1 3.76Å; F274-I278 HydrophobicContact CB-CG1 3.83Å; F274-I278 HydrophobicContact CB-CG2 3.7Å; F274-I278 HydrophobicContact CD1-CG2 4.06Å; F274-I278 HydrophobicContact CD2-CD1 4.41Å; F274-I278 HydrophobicContact CG-CD1 4.2Å; F274-I278 HydrophobicContact CG-CG2 4.12Å; F274-A298 HydrophobicContact CE1-CB 4.18Å; F274-V299 HydrophobicContact CD1-CG2 4.1Å; F274-K302 HydrophobicContact CD1-CB 4.02Å; F274-K302 HydrophobicContact CD1-CG 4.22Å; F274-K302 HydrophobicContact CE1-CB 3.85Å; F274-K302 HydrophobicContact CE1-CG 4.2Å; F274-K302 HydrophobicContact CG-CG 4.42Å; F274-K302 HydrophobicContact CZ-CB 4.39Å; F274-K302 HydrophobicContact CZ-CG 4.38Å
275	G	91.8	Very high	95.4	Very high	18 Å²	18	53.1 Å²	53.1	19%	0.186	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	54.2	-139.7	-176.2	0	0	0	0	0	113.1	D272 S277 I278	D272-G275 PolarHBondContact OD1-N 3.02Å; G275-S277 PolarHBondContact O-N 3.26Å; G275-S277 VanDerWaalsContact O-N 3.15Å; G275-I278 WeakPolarHBondContact O-CG1 3.44Å
276	V	94.1	Very high	95.4	Very high	56 Å²	56	51.1 Å²	51.1	34%	0.339	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-68	-13.5	-177.1	-62.1	0	0	0	0	114.4	V224 L268 I278 V279 D280	V224-V276 HydrophobicContact CG1-CG2 3.77Å; L268-V276 HydrophobicContact CD1-CB 4.33Å; L268-V276 HydrophobicContact CD1-CG1 3.58Å; L268-V276 HydrophobicContact CD1-CG2 3.88Å; V276-I278 PolarHBondContact O-N 3.39Å; V276-I278 VanDerWaalsContact O-N 3.11Å; V276-V279 PolarHBondContact O-N 3.47Å; V276-V279 VanDerWaalsContact O-N 3.08Å; V276-D280 PolarHBondContact O-N 2.74Å
277	S	95.3	Very high	95.4	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.042	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-68.5	-12.2	-176.4	77.1	0	0	0	0	113.4	F274 G275 V299 R303	F274-S277 PolarHBondContact O-N 2.86Å; F274-S277 PolarHBondContact O-OG 3.14Å; G275-S277 PolarHBondContact O-N 3.26Å; G275-S277 VanDerWaalsContact O-N 3.15Å; S277-V299 WeakPolarHBondContact OG-CG1 3.48Å; S277-V299 WeakPolarHBondContact OG-CG2 3.31Å; S277-R303 VanDerWaalsContact O-CD 3.25Å; S277-R303 WeakPolarHBondContact O-CD 3.49Å; S277-R303 WeakPolarHBondContact O-CG 3.41Å; S277-R303 PolarHBondContact O-NH1 3.31Å
278	I	96.4	Very high	95.2	Very high	22 Å²	22	47.7 Å²	47.7	11%	0.113	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-107.2	8.3	176	61.8	163.1	0	0	0	113.2	F274 G275 V276 V299 K302 R303 N306 L308	F274-I278 HydrophobicContact CB-CB 4.39Å; F274-I278 HydrophobicContact CB-CD1 3.76Å; F274-I278 HydrophobicContact CB-CG1 3.83Å; F274-I278 HydrophobicContact CB-CG2 3.7Å; F274-I278 HydrophobicContact CD1-CG2 4.06Å; F274-I278 HydrophobicContact CD2-CD1 4.41Å; F274-I278 HydrophobicContact CG-CD1 4.2Å; F274-I278 HydrophobicContact CG-CG2 4.12Å; G275-I278 WeakPolarHBondContact O-CG1 3.44Å; V276-I278 PolarHBondContact O-N 3.39Å; V276-I278 VanDerWaalsContact O-N 3.11Å; I278-V299 HydrophobicContact CG2-CG1 4.34Å; I278-K302 HydrophobicContact CB-CG 4.18Å; I278-K302 HydrophobicContact CD1-CG 3.82Å; I278-K302 HydrophobicContact CG2-CB 3.72Å; I278-K302 HydrophobicContact CG2-CG 3.69Å; I278-R303 HydrophobicContact CG2-CG 4.15Å; I278-N306 PolarHBondContact O-ND2 2.85Å; I278-L308 WeakPolarHBondContact O-CD1 3.42Å
279	V	95.9	Very high	94.8	Very high	106 Å²	106	45.6 Å²	45.6	64%	0.642	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	-37.3	-179.4	-173.5	0	0	0	0	111.1	V276 P281	V276-V279 PolarHBondContact O-N 3.47Å; V276-V279 VanDerWaalsContact O-N 3.08Å; V279-P281 VanDerWaalsContact O-CD 3.26Å; V279-P281 WeakPolarHBondContact O-CD 3.49Å
280	D	96.6	Very high	94.2	Very high	27 Å²	27	47.6 Å²	47.6	14%	0.144	26%	0.258	C	S	.	.			trans	-80.8	114.8	-176.7	-171	-24.7	0	0	0	111.9	R222 V276 L282 L283 R303	R222-D280 IonicContact CZ-OD2 3.19Å; R222-D280 VanDerWaalsContact CZ-OD2 3.26Å; R222-D280 IonicContact NH1-OD2 2.84Å; R222-D280 PolarHBondContact NH1-OD2 2.87Å; R222-D280 IonicContact NH2-OD1 2.82Å; R222-D280 PolarHBondContact NH2-OD1 2.89Å; R222-D280 IonicContact NH2-OD2 2.72Å; R222-D280 PolarHBondContact NH2-OD2 3.1Å; V276-D280 PolarHBondContact O-N 2.74Å; D280-L282 WeakPolarHBondContact OD1-CA 3.35Å; D280-L282 VanDerWaalsContact OD1-CB 3.26Å; D280-L282 WeakPolarHBondContact OD1-CB 3.49Å; D280-L282 PolarHBondContact OD1-N 3.12Å; D280-L283 HydrophobicContact CB-CD1 3.86Å; D280-L283 HydrophobicContact CB-CG 3.93Å; D280-R303 PolarHBondContact O-NH1 3.29Å; D280-R303 PolarHBondContact O-NH2 3.4Å
281	P	96.2	Very high	93.6	Very high	68 Å²	68	52.9 Å²	52.9	44%	0.442	28%	0.283	S	S	.	.	S	Bend	trans	-79.3	-15.6	179	33.2	-35.7	0	0	0	113.6	V279 L308	V279-P281 VanDerWaalsContact O-CD 3.26Å; V279-P281 WeakPolarHBondContact O-CD 3.49Å; P281-L308 HydrophobicContact CB-CD2 3.86Å
282	L	96.6	Very high	93.5	Very high	90 Å²	90	49.2 Å²	49.2	47%	0.471	27%	0.27	S	S	.	.	S	Bend	trans	-79.2	-25.1	-177.4	-59.2	178	0	0	0	112.1	D280 K284	D280-L282 WeakPolarHBondContact OD1-CA 3.35Å; D280-L282 VanDerWaalsContact OD1-CB 3.26Å; D280-L282 WeakPolarHBondContact OD1-CB 3.49Å; D280-L282 PolarHBondContact OD1-N 3.12Å; L282-K284 WeakPolarHBondContact O-CG 3.38Å; L282-K284 PolarHBondContact O-N 3.47Å
283	L	97.3	Very high	93.4	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	27%	0.274	C	S	.	.			trans	-55.6	133.7	175.1	-67.4	176.6	0	0	0	111	D194 V196 V224 D280 L311	D194-L283 HydrophobicContact CB-CD2 4.2Å; V196-L283 HydrophobicContact CB-CD1 4.05Å; V196-L283 HydrophobicContact CB-CD2 3.96Å; V196-L283 HydrophobicContact CG1-CD1 4.01Å; V196-L283 HydrophobicContact CG1-CD2 4.42Å; V196-L283 HydrophobicContact CG2-CD1 4.43Å; V224-L283 HydrophobicContact CB-CD2 4.41Å; V224-L283 HydrophobicContact CG2-CD2 4.01Å; D280-L283 HydrophobicContact CB-CD1 3.86Å; D280-L283 HydrophobicContact CB-CG 3.93Å; L283-L311 VanDerWaalsContact C-CD2 3.42Å; L283-L311 HydrophobicContact CB-CD2 3.6Å; L283-L311 WeakPolarHBondContact O-CD2 3.38Å
284	K	97.8	Very high	93.5	Very high	93 Å²	93	55.1 Å²	55.1	40%	0.404	28%	0.281	S	S	.	.			trans	-115.6	-32.4	-177.8	-60.9	-54.5	178.8	-168.5	0	113.5	Y192 D194 L282 V312	Y192-K284 HydrophobicContact CD1-CB 4.33Å; D194-K284 PolarHBondContact O-N 3.28Å; L282-K284 WeakPolarHBondContact O-CG 3.38Å; L282-K284 PolarHBondContact O-N 3.47Å; K284-V312 PolarHBondContact O-N 3.48Å
285	C	97.7	Very high	93.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.7	-177.2	175	0	0	0	0	111	Y192 D194 V195 V196 V312	Y192-C285 HydrophobicContact CD1-CB 4.21Å; Y192-C285 HydrophobicContact CD2-CB 3.32Å; Y192-C285 HydrophobicContact CE2-CB 3.72Å; Y192-C285 HydrophobicContact CG-CB 3.59Å; D194-C285 PolarHBondContact O-N 3.43Å; V195-C285 WeakPolarHBondContact CA-O 3.41Å; V195-C285 HydrophobicContact CG2-CB 4.3Å; V196-C285 PolarHBondContact N-O 2.93Å; C285-V312 CarbonylContact C-O 3.57Å; C285-V312 VanDerWaalsContact CA-O 3.28Å; C285-V312 WeakPolarHBondContact CA-O 3.42Å; C285-V312 HydrophobicContact CB-CB 4.42Å; C285-V312 PolarHBondContact SG-O 3.29Å
286	I	97.7	Very high	93.6	Very high	11 Å²	11	53.3 Å²	53.3	6%	0.056	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.8	166.5	-175.2	163.8	0	0	0	108.8	V196 V288 V299 L311 V312 L313 H314	V196-I286 HydrophobicContact CG1-CB 3.87Å; V196-I286 HydrophobicContact CG1-CD1 4.35Å; V196-I286 HydrophobicContact CG1-CG1 3.97Å; V196-I286 WeakPolarHBondContact O-CA 3.22Å; I286-V288 HydrophobicContact CD1-CG1 4.44Å; I286-V288 HydrophobicContact CG1-CG1 4.08Å; I286-V299 HydrophobicContact CD1-CB 4.28Å; I286-V299 HydrophobicContact CD1-CG1 4.28Å; I286-V299 HydrophobicContact CD1-CG2 4.08Å; I286-L311 HydrophobicContact CB-CB 4.18Å; I286-L311 HydrophobicContact CB-CD1 3.85Å; I286-L311 HydrophobicContact CG2-CB 3.8Å; I286-L311 HydrophobicContact CG2-CD1 4.2Å; I286-V312 PolarHBondContact N-O 3.36Å; I286-L313 HydrophobicContact CG2-CB 4.35Å; I286-L313 HydrophobicContact CG2-CG 4.44Å; I286-H314 PolarHBondContact O-N 3.39Å
287	V	96.5	Very high	93.7	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.6	177.2	-170.8	0	0	0	0	108.8	V195 V196 L211 S215 L218 H314 I316	V195-V287 HydrophobicContact CG1-CG2 3.5Å; V196-V287 PolarHBondContact O-N 2.94Å; L211-V287 HydrophobicContact CD1-CB 4.42Å; L211-V287 HydrophobicContact CD1-CG1 3.66Å; S215-V287 WeakPolarHBondContact OG-CB 3.47Å; L218-V287 HydrophobicContact CD1-CG2 3.71Å; V287-H314 WeakPolarHBondContact CA-O 3.46Å; V287-H314 HydrophobicContact CG2-CB 4.41Å; V287-I316 HydrophobicContact CG1-CD1 3.33Å; V287-I316 HydrophobicContact CG1-CG1 3.92Å
288	V	94	Very high	93.8	Very high	8 Å²	8	54.5 Å²	54.5	5%	0.048	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	153.5	-178	-64.2	0	0	0	0	110.5	I286 L313 H314 E315 I316	I286-V288 HydrophobicContact CD1-CG1 4.44Å; I286-V288 HydrophobicContact CG1-CG1 4.08Å; V288-L313 HydrophobicContact CG2-CD2 3.61Å; V288-L313 HydrophobicContact CG2-CG 3.96Å; V288-H314 PolarHBondContact N-O 3.36Å; V288-E315 HydrophobicContact CG2-CB 4.48Å; V288-E315 WeakPolarHBondContact O-CA 3.36Å; V288-I316 PolarHBondContact O-N 3Å
289	S	88.5	Confident	93.8	Very high	13 Å²	13	53.7 Å²	53.7	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	161.9	161.5	65	0	0	0	0	110.1	E291 T292 R293	S289-E291 PolarHBondContact O-N 2.94Å; S289-T292 PolarHBondContact N-OG1 3.5Å; S289-T292 CarbonylContact O-C 3.53Å; S289-T292 PolarHBondContact O-N 3.15Å; S289-T292 PolarHBondContact O-OG1 2.87Å; S289-T292 PolarHBondContact OG-N 2.88Å; S289-T292 PolarHBondContact OG-OG1 3.07Å; S289-R293 PolarHBondContact O-N 3Å
290	E	84.2	Confident	93.9	Very high	106 Å²	106	50.3 Å²	50.3	50%	0.495	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-46	-44	169.9	-176.2	-175.5	-166.8	0	0	112.5	T292 R293 E315 I316 K331	E290-T292 VanDerWaalsContact C-N 3.3Å; E290-T292 PolarHBondContact O-N 2.91Å; E290-R293 WeakPolarHBondContact O-CB 3.34Å; E290-R293 PolarHBondContact O-N 2.82Å; E290-E315 WeakPolarHBondContact CA-OE1 3.24Å; E290-I316 PolarHBondContact N-O 3.24Å; E290-K331 IonicContact OE2-NZ 3.08Å; E290-K331 PolarHBondContact OE2-NZ 3.04Å
291	E	81.3	Confident	94	Very high	125 Å²	125	55.7 Å²	55.7	58%	0.584	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-66	-30.8	179.9	-64.7	157.6	-175.1	0	0	113.3	S289 K331	S289-E291 PolarHBondContact O-N 2.94Å; E291-K331 WeakPolarHBondContact OE1-CD 3.17Å; E291-K331 IonicContact OE1-NZ 2.78Å
292	T	88.3	Confident	94	Very high	65 Å²	65	55.5 Å²	55.5	40%	0.399	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-103.2	5.6	-175.3	54.5	0	0	0	0	113	S289 E290 K294 G295 G296	S289-T292 PolarHBondContact N-OG1 3.5Å; S289-T292 CarbonylContact O-C 3.53Å; S289-T292 PolarHBondContact O-N 3.15Å; S289-T292 PolarHBondContact O-OG1 2.87Å; S289-T292 PolarHBondContact OG-N 2.88Å; S289-T292 PolarHBondContact OG-OG1 3.07Å; E290-T292 VanDerWaalsContact C-N 3.3Å; E290-T292 PolarHBondContact O-N 2.91Å; T292-K294 VanDerWaalsContact C-N 3.31Å; T292-K294 PolarHBondContact O-N 3.35Å; T292-G295 WeakPolarHBondContact O-CA 3.47Å; T292-G295 PolarHBondContact O-N 2.78Å; T292-G296 PolarHBondContact O-N 3.12Å
293	R	91.4	Very high	94.1	Very high	112 Å²	112	51.2 Å²	51.2	42%	0.423	25%	0.247	S	C	.	.	H	α-helix	trans	-50.1	-47	176.2	-171.7	-175.8	-165.5	-96.7	0.4	113.1	S289 E290 G295 G296 E297 L313 E315	S289-R293 PolarHBondContact O-N 3Å; E290-R293 WeakPolarHBondContact O-CB 3.34Å; E290-R293 PolarHBondContact O-N 2.82Å; R293-G295 PolarHBondContact O-N 2.67Å; R293-G296 PolarHBondContact O-N 3.37Å; R293-G296 VanDerWaalsContact O-N 3.07Å; R293-E297 IonicContact CZ-OE1 3.62Å; R293-E297 IonicContact NH1-OE1 2.81Å; R293-E297 PolarHBondContact NH1-OE1 3.49Å; R293-E297 PolarHBondContact O-N 3.38Å; R293-L313 HydrophobicContact CG-CD2 4.32Å; R293-E315 WeakPolarHBondContact CD-OE2 3.13Å; R293-E315 IonicContact CZ-OE2 3.94Å; R293-E315 IonicContact NE-OE2 2.72Å; R293-E315 PolarHBondContact NE-OE2 3.18Å
294	K	92.9	Very high	94.1	Very high	167 Å²	167	54.5 Å²	54.5	73%	0.726	27%	0.274	S	S	*	.	H	α-helix	trans	-59.4	-30.6	176.5	-68.5	-176.1	179.6	177.8	0	112.8	T292 A298	T292-K294 VanDerWaalsContact C-N 3.31Å; T292-K294 PolarHBondContact O-N 3.35Å; K294-A298 WeakPolarHBondContact O-CB 3.35Å; K294-A298 PolarHBondContact O-N 3Å
295	G	92.4	Very high	94.1	Very high	40 Å²	40	56 Å²	56	41%	0.412	28%	0.282	S	S	.	.	H	α-helix	trans	-68.3	-45.6	174	0	0	0	0	0	111.9	T292 R293 E297 A298 V299	T292-G295 WeakPolarHBondContact O-CA 3.47Å; T292-G295 PolarHBondContact O-N 2.78Å; R293-G295 PolarHBondContact O-N 2.67Å; G295-E297 VanDerWaalsContact C-N 3.34Å; G295-E297 PolarHBondContact O-N 2.97Å; G295-A298 WeakPolarHBondContact O-CB 3.11Å; G295-A298 PolarHBondContact O-N 2.71Å; G295-A298 VanDerWaalsContact O-N 3.13Å; G295-V299 WeakPolarHBondContact O-CG2 3.37Å; G295-V299 PolarHBondContact O-N 3.05Å
296	G	94.5	Very high	94	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-40.6	174	0	0	0	0	0	113	T292 R293 A298 V299 N300	T292-G296 PolarHBondContact O-N 3.12Å; R293-G296 PolarHBondContact O-N 3.37Å; R293-G296 VanDerWaalsContact O-N 3.07Å; G296-A298 VanDerWaalsContact C-N 3.33Å; G296-A298 PolarHBondContact O-N 3.34Å; G296-V299 WeakPolarHBondContact O-CB 3.46Å; G296-V299 PolarHBondContact O-N 3.02Å; G296-N300 PolarHBondContact O-N 3.13Å; G296-N300 VanDerWaalsContact O-N 3.13Å
297	E	96.6	Very high	94	Very high	63 Å²	63	66 Å²	66	29%	0.294	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-39.3	173.1	-67.5	172	175.5	0	0	112	R293 G295 V299 N300 R301 L313	R293-E297 IonicContact CZ-OE1 3.62Å; R293-E297 IonicContact NH1-OE1 2.81Å; R293-E297 PolarHBondContact NH1-OE1 3.49Å; R293-E297 PolarHBondContact O-N 3.38Å; G295-E297 VanDerWaalsContact C-N 3.34Å; G295-E297 PolarHBondContact O-N 2.97Å; E297-V299 VanDerWaalsContact C-N 3.35Å; E297-N300 PolarHBondContact O-N 2.9Å; E297-R301 PolarHBondContact O-N 3.37Å; E297-L313 HydrophobicContact CG-CD1 4.05Å
298	A	96.9	Very high	94	Very high	23 Å²	23	67.4 Å²	67.4	19%	0.19	34%	0.343	C	S	.	.	H	α-helix	trans	-64.1	-39.1	175.4	0	0	0	0	0	112.2	F274 K294 G295 G296 R301 K302	F274-A298 HydrophobicContact CE1-CB 4.18Å; K294-A298 WeakPolarHBondContact O-CB 3.35Å; K294-A298 PolarHBondContact O-N 3Å; G295-A298 WeakPolarHBondContact O-CB 3.11Å; G295-A298 PolarHBondContact O-N 2.71Å; G295-A298 VanDerWaalsContact O-N 3.13Å; G296-A298 VanDerWaalsContact C-N 3.33Å; G296-A298 PolarHBondContact O-N 3.34Å; A298-R301 PolarHBondContact O-N 3.21Å; A298-K302 PolarHBondContact O-N 3.19Å
299	V	97.2	Very high	94.1	Very high	5 Å²	5	70 Å²	70	3%	0.03	36%	0.36	C	S	.	.	H	α-helix	trans	-58.2	-47.8	172.8	168.2	0	0	0	0	110.6	F274 S277 I278 I286 G295 G296 E297 R301 K302 R303 L311	F274-V299 HydrophobicContact CD1-CG2 4.1Å; S277-V299 WeakPolarHBondContact OG-CG1 3.48Å; S277-V299 WeakPolarHBondContact OG-CG2 3.31Å; I278-V299 HydrophobicContact CG2-CG1 4.34Å; I286-V299 HydrophobicContact CD1-CB 4.28Å; I286-V299 HydrophobicContact CD1-CG1 4.28Å; I286-V299 HydrophobicContact CD1-CG2 4.08Å; G295-V299 WeakPolarHBondContact O-CG2 3.37Å; G295-V299 PolarHBondContact O-N 3.05Å; G296-V299 WeakPolarHBondContact O-CB 3.46Å; G296-V299 PolarHBondContact O-N 3.02Å; E297-V299 VanDerWaalsContact C-N 3.35Å; V299-R301 PolarHBondContact O-N 2.79Å; V299-K302 CarbonylContact O-C 3.59Å; V299-K302 PolarHBondContact O-N 3.46Å; V299-K302 VanDerWaalsContact O-N 3.14Å; V299-R303 HydrophobicContact CG1-CG 4.22Å; V299-R303 WeakPolarHBondContact O-CG 3.45Å; V299-R303 PolarHBondContact O-N 3.2Å; V299-L311 HydrophobicContact CG1-CD1 4.03Å
300	N	97.6	Very high	94.5	Very high	35 Å²	35	74.1 Å²	74.1	19%	0.187	39%	0.387	C	S	.	.	H	α-helix	trans	-65.3	-37.4	179.8	-83.3	-16.3	0	0	0	113.3	G296 E297 K302 R303 A304 L311	G296-N300 PolarHBondContact O-N 3.13Å; G296-N300 VanDerWaalsContact O-N 3.13Å; E297-N300 PolarHBondContact O-N 2.9Å; N300-K302 VanDerWaalsContact C-N 3.33Å; N300-K302 PolarHBondContact O-N 3.21Å; N300-R303 PolarHBondContact O-N 3.22Å; N300-A304 PolarHBondContact O-N 2.86Å; N300-L311 PolarHBondContact ND2-O 3.45Å; N300-L311 PolarHBondContact OD1-N 3.15Å
301	R	97.8	Very high	95.2	Very high	141 Å²	141	69.4 Å²	69.4	53%	0.532	37%	0.365	S	S	.	.	H	α-helix	trans	-58.9	-46	170.6	-71.3	-171.2	-64.5	-92.6	1.2	111.1	E297 A298 V299 R303 A304 E305	E297-R301 PolarHBondContact O-N 3.37Å; A298-R301 PolarHBondContact O-N 3.21Å; V299-R301 PolarHBondContact O-N 2.79Å; R301-R303 PolarHBondContact O-N 3.24Å; R301-A304 WeakPolarHBondContact O-CB 3.32Å; R301-A304 PolarHBondContact O-N 3.1Å; R301-E305 PolarHBondContact O-N 2.9Å; R301-E305 VanDerWaalsContact O-N 3.13Å
302	K	97.4	Very high	96	Very high	64 Å²	64	66.5 Å²	66.5	28%	0.278	36%	0.356	S	S	.	.	H	α-helix	trans	-69.9	-31.8	-179.4	-165.8	64.2	-175.5	170.5	0	113.3	F274 I278 A298 V299 N300 E305 N306	F274-K302 HydrophobicContact CD1-CB 4.02Å; F274-K302 HydrophobicContact CD1-CG 4.22Å; F274-K302 HydrophobicContact CE1-CB 3.85Å; F274-K302 HydrophobicContact CE1-CG 4.2Å; F274-K302 HydrophobicContact CG-CG 4.42Å; F274-K302 HydrophobicContact CZ-CB 4.39Å; F274-K302 HydrophobicContact CZ-CG 4.38Å; I278-K302 HydrophobicContact CB-CG 4.18Å; I278-K302 HydrophobicContact CD1-CG 3.82Å; I278-K302 HydrophobicContact CG2-CB 3.72Å; I278-K302 HydrophobicContact CG2-CG 3.69Å; A298-K302 PolarHBondContact O-N 3.19Å; V299-K302 CarbonylContact O-C 3.59Å; V299-K302 PolarHBondContact O-N 3.46Å; V299-K302 VanDerWaalsContact O-N 3.14Å; N300-K302 VanDerWaalsContact C-N 3.33Å; N300-K302 PolarHBondContact O-N 3.21Å; K302-E305 VanDerWaalsContact CD-OE2 3.25Å; K302-E305 WeakPolarHBondContact CD-OE2 3.4Å; K302-E305 IonicContact NZ-OE2 3.29Å; K302-E305 PolarHBondContact NZ-OE2 3.47Å; K302-E305 PolarHBondContact O-N 2.91Å; K302-N306 PolarHBondContact O-N 3.28Å
303	R	97.8	Very high	96.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-64.8	-41.2	171.6	-75	179.4	71.6	86.9	-3	111.7	S277 I278 D280 V299 N300 R301 E305 N306 D307 L308 P309	S277-R303 VanDerWaalsContact O-CD 3.25Å; S277-R303 WeakPolarHBondContact O-CD 3.49Å; S277-R303 WeakPolarHBondContact O-CG 3.41Å; S277-R303 PolarHBondContact O-NH1 3.31Å; I278-R303 HydrophobicContact CG2-CG 4.15Å; D280-R303 PolarHBondContact O-NH1 3.29Å; D280-R303 PolarHBondContact O-NH2 3.4Å; V299-R303 HydrophobicContact CG1-CG 4.22Å; V299-R303 WeakPolarHBondContact O-CG 3.45Å; V299-R303 PolarHBondContact O-N 3.2Å; N300-R303 PolarHBondContact O-N 3.22Å; R301-R303 PolarHBondContact O-N 3.24Å; R303-E305 VanDerWaalsContact C-N 3.34Å; R303-E305 PolarHBondContact O-N 3.32Å; R303-N306 CarbonylContact O-C 3.39Å; R303-N306 PolarHBondContact O-N 3.48Å; R303-D307 PolarHBondContact O-N 3.35Å; R303-L308 HydrophobicContact CB-CB 3.96Å; R303-L308 HydrophobicContact CG-CB 4.29Å; R303-L308 HydrophobicContact CG-CD1 4.4Å; R303-L308 PolarHBondContact O-N 2.96Å; R303-P309 VanDerWaalsContact CZ-O 3.22Å; R303-P309 PolarHBondContact NE-O 3.44Å; R303-P309 PolarHBondContact NH2-O 3Å
304	A	97.3	Very high	96.5	Very high	70 Å²	70	62.9 Å²	62.9	58%	0.579	34%	0.34	S	S	*	.	H	α-helix	trans	-63.7	-38.6	175.3	0	0	0	0	0	112.2	N300 R301 N306 D307	N300-A304 PolarHBondContact O-N 2.86Å; R301-A304 WeakPolarHBondContact O-CB 3.32Å; R301-A304 PolarHBondContact O-N 3.1Å; A304-N306 PolarHBondContact O-N 3.46Å; A304-D307 PolarHBondContact O-N 3.32Å
305	E	97.4	Very high	96.4	Very high	124 Å²	124	58.4 Å²	58.4	58%	0.579	32%	0.322	S	S	*	.	H	α-helix	trans	-63.1	-25.2	172	-68.5	171.5	-156.2	0	0	113.2	R301 K302 R303	R301-E305 PolarHBondContact O-N 2.9Å; R301-E305 VanDerWaalsContact O-N 3.13Å; K302-E305 VanDerWaalsContact CD-OE2 3.25Å; K302-E305 WeakPolarHBondContact CD-OE2 3.4Å; K302-E305 IonicContact NZ-OE2 3.29Å; K302-E305 PolarHBondContact NZ-OE2 3.47Å; K302-E305 PolarHBondContact O-N 2.91Å; R303-E305 VanDerWaalsContact C-N 3.34Å; R303-E305 PolarHBondContact O-N 3.32Å
306	N	96.6	Very high	96.1	Very high	68 Å²	68	56.8 Å²	56.8	36%	0.364	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	15.2	-178.9	-69.1	-3.2	0	0	0	113	I278 K302 R303 A304 L308	I278-N306 PolarHBondContact O-ND2 2.85Å; K302-N306 PolarHBondContact O-N 3.28Å; R303-N306 CarbonylContact O-C 3.39Å; R303-N306 PolarHBondContact O-N 3.48Å; A304-N306 PolarHBondContact O-N 3.46Å; N306-L308 HydrophobicContact CB-CD1 4.45Å; N306-L308 HydrophobicContact CB-CG 4.37Å; N306-L308 PolarHBondContact O-N 3.43Å
307	D	96.9	Very high	95.1	Very high	155 Å²	155	63.9 Å²	63.9	83%	0.829	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	30.9	-178.2	-59.7	-57.8	0	0	0	114.6	R303 A304	R303-D307 PolarHBondContact O-N 3.35Å; A304-D307 PolarHBondContact O-N 3.32Å
308	L	97.1	Very high	93.5	Very high	30 Å²	30	62 Å²	62	16%	0.157	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-100.9	146	177.5	-67.5	179.5	0	0	0	112.1	I278 P281 R303 N306	I278-L308 WeakPolarHBondContact O-CD1 3.42Å; P281-L308 HydrophobicContact CB-CD2 3.86Å; R303-L308 HydrophobicContact CB-CB 3.96Å; R303-L308 HydrophobicContact CG-CB 4.29Å; R303-L308 HydrophobicContact CG-CD1 4.4Å; R303-L308 PolarHBondContact O-N 2.96Å; N306-L308 HydrophobicContact CB-CD1 4.45Å; N306-L308 HydrophobicContact CB-CG 4.37Å; N306-L308 PolarHBondContact O-N 3.43Å
309	P	96.6	Very high	91.6	Very high	62 Å²	62	64.8 Å²	64.8	40%	0.403	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-63.7	143.3	176.5	26.6	-33.9	0	0	0	110.8	R303	R303-P309 VanDerWaalsContact CZ-O 3.22Å; R303-P309 PolarHBondContact NE-O 3.44Å; R303-P309 PolarHBondContact NH2-O 3Å
310	P	97.3	Very high	89.4	Confident	101 Å²	101	70.7 Å²	70.7	66%	0.656	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-64.5	145.9	179	28.6	-35	0	0	0	111.1
311	L	97.6	Very high	87.1	Confident	6 Å²	6	70 Å²	70	3%	0.031	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-82.6	139.6	171.7	-57.7	177.9	0	0	0	109.5	V196 L283 I286 V299 N300 L313	V196-L311 HydrophobicContact CG1-CD1 3.98Å; L283-L311 VanDerWaalsContact C-CD2 3.42Å; L283-L311 HydrophobicContact CB-CD2 3.6Å; L283-L311 WeakPolarHBondContact O-CD2 3.38Å; I286-L311 HydrophobicContact CB-CB 4.18Å; I286-L311 HydrophobicContact CB-CD1 3.85Å; I286-L311 HydrophobicContact CG2-CB 3.8Å; I286-L311 HydrophobicContact CG2-CD1 4.2Å; V299-L311 HydrophobicContact CG1-CD1 4.03Å; N300-L311 PolarHBondContact ND2-O 3.45Å; N300-L311 PolarHBondContact OD1-N 3.15Å; L311-L313 PolarHBondContact O-N 2.93Å
312	V	97.6	Very high	84.6	Confident	64 Å²	64	66.4 Å²	66.4	39%	0.388	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	119.3	166.7	-177.6	0	0	0	0	108.1	Y192 K284 C285 I286 H314	Y192-V312 HydrophobicContact CE1-CB 4.24Å; Y192-V312 HydrophobicContact CE1-CG1 4.44Å; Y192-V312 HydrophobicContact CE1-CG2 4.05Å; Y192-V312 WeakPolarHBondContact OH-CG1 3.33Å; K284-V312 PolarHBondContact O-N 3.48Å; C285-V312 CarbonylContact C-O 3.57Å; C285-V312 VanDerWaalsContact CA-O 3.28Å; C285-V312 WeakPolarHBondContact CA-O 3.42Å; C285-V312 HydrophobicContact CB-CB 4.42Å; C285-V312 PolarHBondContact SG-O 3.29Å; I286-V312 PolarHBondContact N-O 3.36Å; V312-H314 PolarHBondContact O-N 3.16Å
313	L	95.9	Very high	82.2	Confident	49 Å²	49	68.7 Å²	68.7	26%	0.257	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	109.5	179.4	-170.4	154.8	0	0	0	108.6	I286 V288 R293 E297 L311 E315	I286-L313 HydrophobicContact CG2-CB 4.35Å; I286-L313 HydrophobicContact CG2-CG 4.44Å; V288-L313 HydrophobicContact CG2-CD2 3.61Å; V288-L313 HydrophobicContact CG2-CG 3.96Å; R293-L313 HydrophobicContact CG-CD2 4.32Å; E297-L313 HydrophobicContact CG-CD1 4.05Å; L311-L313 PolarHBondContact O-N 2.93Å; L313-E315 HydrophobicContact CD2-CB 4.26Å
314	H	94.4	Very high	79.9	Confident	52 Å²	52	75.9 Å²	75.9	24%	0.241	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114.6	175.2	-168.2	92.9	0	0	0	109.7	L218 I286 V287 V288 V312	L218-H314 HydrophobicContact CD1-CB 4.09Å; I286-H314 PolarHBondContact O-N 3.39Å; V287-H314 WeakPolarHBondContact CA-O 3.46Å; V287-H314 HydrophobicContact CG2-CB 4.41Å; V288-H314 PolarHBondContact N-O 3.36Å; V312-H314 PolarHBondContact O-N 3.16Å
315	E	91.8	Very high	77.5	Confident	73 Å²	73	77.3 Å²	77.3	34%	0.341	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.4	-178.1	-174	178	164.2	0	0	110.9	V288 E290 R293 L313	V288-E315 HydrophobicContact CG2-CB 4.48Å; V288-E315 WeakPolarHBondContact O-CA 3.36Å; E290-E315 WeakPolarHBondContact CA-OE1 3.24Å; R293-E315 WeakPolarHBondContact CD-OE2 3.13Å; R293-E315 IonicContact CZ-OE2 3.94Å; R293-E315 IonicContact NE-OE2 2.72Å; R293-E315 PolarHBondContact NE-OE2 3.18Å; L313-E315 HydrophobicContact CD2-CB 4.26Å
316	I	86.3	Confident	74.7	Confident	6 Å²	6	79.1 Å²	79.1	3%	0.031	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.3	176.1	-62.1	170.8	0	0	0	109.7	T210 L211 I214 V287 V288 E290 V318	T210-I316 HydrophobicContact CG2-CG2 4.23Å; L211-I316 HydrophobicContact CD1-CD1 3.76Å; I214-I316 HydrophobicContact CB-CD1 3.59Å; I214-I316 HydrophobicContact CB-CG1 4.44Å; I214-I316 HydrophobicContact CD1-CD1 4.01Å; I214-I316 HydrophobicContact CD1-CG1 4.27Å; I214-I316 HydrophobicContact CD1-CG2 3.78Å; I214-I316 HydrophobicContact CG1-CD1 4.38Å; I214-I316 HydrophobicContact CG2-CD1 3.55Å; I214-I316 HydrophobicContact CG2-CG1 4Å; V287-I316 HydrophobicContact CG1-CD1 3.33Å; V287-I316 HydrophobicContact CG1-CG1 3.92Å; V288-I316 PolarHBondContact O-N 3Å; E290-I316 PolarHBondContact N-O 3.24Å; I316-V318 HydrophobicContact CG2-CG2 4.41Å; I316-V318 PolarHBondContact O-N 2.89Å
317	Q	72.4	Confident	72	Confident	151 Å²	151	79.8 Å²	79.8	71%	0.706	41%	0.41	S	S	*	.			trans	-75.4	102	168	-64.6	-176.7	2.6	0	0	109.5
318	V	63.9	Low	69.6	Low	22 Å²	22	73.5 Å²	73.5	13%	0.133	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-83.8	120.7	171.2	-176.9	0	0	0	0	108.1	A207 I316 K331	A207-V318 HydrophobicContact CB-CG1 3.46Å; A207-V318 VanDerWaalsContact CB-CG1 3.46Å; I316-V318 HydrophobicContact CG2-CG2 4.41Å; I316-V318 PolarHBondContact O-N 2.89Å; V318-K331 WeakPolarHBondContact O-CE 3.3Å
319	L	57	Low	67.1	Low	83 Å²	83	77.7 Å²	77.7	44%	0.435	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-81.5	162.6	-174.6	-80.9	169	0	0	0	112.8	T74 N78	T74-L319 HydrophobicContact CG2-CB 4.49Å; T74-L319 HydrophobicContact CG2-CD1 3.69Å; T74-L319 HydrophobicContact CG2-CG 4.13Å; N78-L319 WeakPolarHBondContact ND2-CB 3.47Å; N78-L319 WeakPolarHBondContact ND2-CD1 3.1Å
320	K	50.6	Low	64.4	Low	129 Å²	129	79.9 Å²	79.9	56%	0.561	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-79.8	154.5	-165.1	-57.6	-171	-176.9	-158.3	0	113.8	E330	K320-E330 CarbonylContact C-O 3.53Å; K320-E330 WeakPolarHBondContact CA-O 3.11Å; K320-E330 WeakPolarHBondContact CB-O 3.27Å; K320-E330 WeakPolarHBondContact CE-OE2 3.33Å; K320-E330 IonicContact NZ-OE2 2.72Å; K320-E330 PolarHBondContact NZ-OE2 2.8Å
321	D	49.9	Very low	62.3	Low	19 Å²	19	76.5 Å²	76.5	10%	0.102	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-82.1	127.2	178.1	-167.3	-10.7	0	0	0	111.4	H323 E330 I332 R340	D321-H323 PolarHBondContact OD1-N 3.08Å; D321-E330 PolarHBondContact N-O 3.32Å; D321-I332 HydrophobicContact CB-CG1 3.67Å; D321-I332 VanDerWaalsContact OD2-CG1 3.28Å; D321-I332 WeakPolarHBondContact OD2-CG1 3.46Å; D321-R340 IonicContact OD2-CZ 3.5Å; D321-R340 IonicContact OD2-NH1 3.54Å; D321-R340 IonicContact OD2-NH2 2.85Å; D321-R340 PolarHBondContact OD2-NH2 3.41Å
322	A	44.3	Very low	60.4	Low	67 Å²	67	77.6 Å²	77.6	55%	0.554	38%	0.38	S	S	*	.	S	Bend	trans	-83.4	-21.3	177.5	0	0	0	0	0	113.7	D82 R324	D82-A322 VanDerWaalsContact OD1-CB 3.23Å; D82-A322 WeakPolarHBondContact OD1-CB 3.39Å; A322-R324 PolarHBondContact O-N 2.92Å
323	H	47.6	Very low	59.2	Low	111 Å²	111	75.4 Å²	75.4	51%	0.514	37%	0.368	S	S	.	.	S	Bend	trans	-101.5	57.3	-172.4	-70	-70.9	0	0	0	112.5	D82 D321 R340	D82-H323 PolarHBondContact O-NE2 3.07Å; D82-H323 IonicContact OD1-CD2 2.86Å; D321-H323 PolarHBondContact OD1-N 3.08Å; H323-R340 PolarHBondContact O-NH2 2.72Å
324	R	48.3	Very low	58.5	Low	152 Å²	152	73.8 Å²	73.8	57%	0.574	36%	0.36	S	S	*	.			trans	-78.1	137.1	-170.5	-179.6	177.6	179.8	-166.1	-0.2	113.8	A322	A322-R324 PolarHBondContact O-N 2.92Å
325	N	47.1	Very low	57.9	Low	99 Å²	99	72.8 Å²	72.8	53%	0.529	36%	0.359	S	S	.	.			trans	-96	153.6	152.7	-68.8	-53.4	0	0	0	110.7	I327 E328	N325-I327 PolarHBondContact O-N 3.35Å; N325-E328 HydrophobicContact CB-CG 4.12Å; N325-E328 PolarHBondContact N-OE2 3.02Å; N325-E328 PolarHBondContact ND2-OE1 2.88Å; N325-E328 VanDerWaalsContact ND2-OE1 3.08Å; N325-E328 PolarHBondContact O-N 2.95Å
326	E	39.1	Very low	57.4	Low	162 Å²	162	69.6 Å²	69.6	76%	0.757	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-15.9	-175.5	-67.1	171.4	151.8	0	0	115.7	K544	E326-K544 IonicContact OE2-NZ 3.37Å
327	I	39.6	Very low	57.3	Low	82 Å²	82	71 Å²	71	42%	0.421	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-6.9	-173.8	-55.4	145.6	0	0	0	111.9	N325 V541	N325-I327 PolarHBondContact O-N 3.35Å; I327-V541 HydrophobicContact CD1-CB 4.15Å; I327-V541 HydrophobicContact CD1-CG1 3.89Å; I327-V541 HydrophobicContact CD1-CG2 3.43Å; I327-V541 VanDerWaalsContact CD1-CG2 3.43Å; I327-V541 HydrophobicContact CG1-CG2 4.17Å
328	E	47	Very low	58.2	Low	23 Å²	23	63.9 Å²	63.9	11%	0.107	32%	0.319	C	S	.	.	S	Bend	trans	-86.6	141.7	-178.1	-66	174.1	-178.8	0	0	111	N325 R340	N325-E328 HydrophobicContact CB-CG 4.12Å; N325-E328 PolarHBondContact N-OE2 3.02Å; N325-E328 PolarHBondContact ND2-OE1 2.88Å; N325-E328 VanDerWaalsContact ND2-OE1 3.08Å; N325-E328 PolarHBondContact O-N 2.95Å; E328-R340 IonicContact OE1-CZ 3.18Å; E328-R340 IonicContact OE1-NE 2.74Å; E328-R340 PolarHBondContact OE1-NE 3.03Å; E328-R340 VanDerWaalsContact OE1-NE 3.16Å; E328-R340 IonicContact OE1-NH2 3.8Å; E328-R340 IonicContact OE2-CZ 2.63Å; E328-R340 IonicContact OE2-NE 3.02Å; E328-R340 PolarHBondContact OE2-NE 3.46Å; E328-R340 IonicContact OE2-NH2 3.32Å; E328-R340 PolarHBondContact OE2-NH2 2.91Å
329	E	45.8	Very low	59.5	Low	119 Å²	119	64.4 Å²	64.4	56%	0.556	32%	0.324	S	S	*	.			trans	-54.3	154.8	168.6	-66.8	170.6	159.5	0	0	110.1	K331 S333	E329-K331 PolarHBondContact O-N 3.4Å; E329-S333 WeakPolarHBondContact OE2-CB 3.36Å; E329-S333 PolarHBondContact OE2-OG 2.89Å
330	E	39.2	Very low	61.1	Low	107 Å²	107	64 Å²	64	50%	0.5	32%	0.316	S	S	.	.	S	Bend	trans	-60.3	-5.5	-178.1	-66.1	-168.7	165.5	0	0	114.9	K320 D321	K320-E330 CarbonylContact C-O 3.53Å; K320-E330 WeakPolarHBondContact CA-O 3.11Å; K320-E330 WeakPolarHBondContact CB-O 3.27Å; K320-E330 WeakPolarHBondContact CE-OE2 3.33Å; K320-E330 IonicContact NZ-OE2 2.72Å; K320-E330 PolarHBondContact NZ-OE2 2.8Å; D321-E330 PolarHBondContact N-O 3.32Å
331	K	52.1	Low	63.1	Low	31 Å²	31	59.4 Å²	59.4	14%	0.135	30%	0.298	C	S	.	.	S	Bend	trans	-133.1	148.1	-170.4	-63.4	178.7	-179.4	-178.1	0	110.8	E290 E291 V318 E329 S333	E290-K331 IonicContact OE2-NZ 3.08Å; E290-K331 PolarHBondContact OE2-NZ 3.04Å; E291-K331 WeakPolarHBondContact OE1-CD 3.17Å; E291-K331 IonicContact OE1-NZ 2.78Å; V318-K331 WeakPolarHBondContact O-CE 3.3Å; E329-K331 PolarHBondContact O-N 3.4Å; K331-S333 PolarHBondContact O-N 3.46Å
332	I	59.2	Low	65.3	Low	29 Å²	29	58.6 Å²	58.6	15%	0.149	29%	0.293	C	S	.	.			trans	-64.6	105.9	170.9	-56.1	172.8	0	0	0	106.6	A81 H205 D321 L337	A81-I332 HydrophobicContact CB-CD1 3.59Å; H205-I332 HydrophobicContact CB-CG2 4.12Å; H205-I332 WeakPolarHBondContact CD2-CG2 3.38Å; H205-I332 PolarHBondContact NE2-O 3.12Å; D321-I332 HydrophobicContact CB-CG1 3.67Å; D321-I332 VanDerWaalsContact OD2-CG1 3.28Å; D321-I332 WeakPolarHBondContact OD2-CG1 3.46Å; I332-L337 HydrophobicContact CG2-CD2 4.36Å; I332-L337 HydrophobicContact CG2-CG 4.4Å
333	S	72.4	Confident	67.8	Low	18 Å²	18	55.4 Å²	55.4	13%	0.126	27%	0.268	C	S	.	.			trans	-115.1	156.2	177.8	82.4	0	0	0	0	109.6	E329 K331 S335 S336 L337	E329-S333 WeakPolarHBondContact OE2-CB 3.36Å; E329-S333 PolarHBondContact OE2-OG 2.89Å; K331-S333 PolarHBondContact O-N 3.46Å; S333-S335 PolarHBondContact O-N 2.96Å; S333-S335 VanDerWaalsContact O-N 3.07Å; S333-S335 PolarHBondContact OG-N 3.36Å; S333-S336 PolarHBondContact N-OG 3.11Å; S333-S336 PolarHBondContact O-N 2.9Å; S333-S336 VanDerWaalsContact O-N 3.11Å; S333-S336 PolarHBondContact O-OG 3.13Å; S333-S336 PolarHBondContact OG-N 3.08Å; S333-L337 PolarHBondContact O-N 3.16Å
334	S	79.8	Confident	70.1	Confident	14 Å²	14	51.6 Å²	51.6	10%	0.098	25%	0.252	C	S	.	.	H	α-helix	trans	-54.9	-30.4	173.7	-57.7	0	0	0	0	111.6	D202 H208 R338	D202-S334 PolarHBondContact O-OG 3.13Å; H208-S334 PolarHBondContact CE1-OG 3.49Å; S334-R338 WeakPolarHBondContact O-CG 3.33Å; S334-R338 PolarHBondContact O-N 3.3Å; S334-R338 PolarHBondContact O-NH1 2.92Å
335	S	81.6	Confident	72.4	Confident	31 Å²	31	47.5 Å²	47.5	22%	0.217	24%	0.241	C	C	.	.	H	α-helix	trans	-69.9	-44.2	178.3	-55.7	0	0	0	0	112.1	S333 L337 R338 S339	S333-S335 PolarHBondContact O-N 2.96Å; S333-S335 VanDerWaalsContact O-N 3.07Å; S333-S335 PolarHBondContact OG-N 3.36Å; S335-L337 VanDerWaalsContact C-N 3.33Å; S335-L337 PolarHBondContact O-N 2.89Å; S335-R338 PolarHBondContact O-N 2.81Å; S335-R338 PolarHBondContact OG-NH2 3.36Å; S335-S339 PolarHBondContact O-N 3.42Å; S335-S339 PolarHBondContact O-OG 3.48Å
336	S	81.9	Confident	74.7	Confident	6 Å²	6	45 Å²	45	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-64.5	-38.6	178.1	67	0	0	0	0	111.7	S333 R338 S339 R340	S333-S336 PolarHBondContact N-OG 3.11Å; S333-S336 PolarHBondContact O-N 2.9Å; S333-S336 VanDerWaalsContact O-N 3.11Å; S333-S336 PolarHBondContact O-OG 3.13Å; S333-S336 PolarHBondContact OG-N 3.08Å; S336-R338 PolarHBondContact O-N 2.87Å; S336-S339 WeakPolarHBondContact O-CB 3.29Å; S336-S339 PolarHBondContact O-N 3.1Å; S336-R340 WeakPolarHBondContact O-CG 3.48Å; S336-R340 PolarHBondContact O-N 2.92Å
337	L	85.1	Confident	77.1	Confident	36 Å²	36	40.8 Å²	40.8	19%	0.188	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-44.7	173.3	-67	179.3	0	0	0	112.3	R203 H205 I332 S333 S335 S339 R340 L341	R203-L337 HydrophobicContact CB-CD1 4.16Å; H205-L337 HydrophobicContact CB-CD1 3.85Å; H205-L337 WeakPolarHBondContact ND1-CD1 3.4Å; I332-L337 HydrophobicContact CG2-CD2 4.36Å; I332-L337 HydrophobicContact CG2-CG 4.4Å; S333-L337 PolarHBondContact O-N 3.16Å; S335-L337 VanDerWaalsContact C-N 3.33Å; S335-L337 PolarHBondContact O-N 2.89Å; L337-S339 VanDerWaalsContact C-N 3.32Å; L337-S339 PolarHBondContact O-N 3.16Å; L337-R340 PolarHBondContact O-N 3.05Å; L337-L341 WeakPolarHBondContact O-CG 3.22Å; L337-L341 PolarHBondContact O-N 3.31Å
338	R	91.6	Very high	79.6	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-39	175.7	-69.8	-170.9	-57.8	-91.6	-2.3	111.9	D202 V237 L238 L241 S334 S335 S336 R340 L341	D202-R338 WeakPolarHBondContact OD2-CD 3.49Å; D202-R338 IonicContact OD2-CZ 3.05Å; D202-R338 IonicContact OD2-NE 2.74Å; D202-R338 IonicContact OD2-NH1 3.46Å; D202-R338 PolarHBondContact OD2-NH1 3.33Å; V237-R338 VanDerWaalsContact O-CZ 3.31Å; V237-R338 PolarHBondContact O-NE 2.78Å; V237-R338 PolarHBondContact O-NH2 3.11Å; L238-R338 HydrophobicContact CB-CB 4.14Å; L238-R338 HydrophobicContact CD1-CB 3.95Å; L238-R338 WeakPolarHBondContact O-CD 3.3Å; L238-R338 PolarHBondContact O-NE 2.8Å; L241-R338 HydrophobicContact CB-CB 4.24Å; L241-R338 HydrophobicContact CB-CG 4.05Å; L241-R338 HydrophobicContact CD1-CB 4.46Å; S334-R338 WeakPolarHBondContact O-CG 3.33Å; S334-R338 PolarHBondContact O-N 3.3Å; S334-R338 PolarHBondContact O-NH1 2.92Å; S335-R338 PolarHBondContact O-N 2.81Å; S335-R338 PolarHBondContact OG-NH2 3.36Å; S336-R338 PolarHBondContact O-N 2.87Å; R338-R340 VanDerWaalsContact C-N 3.33Å; R338-R340 PolarHBondContact O-N 2.93Å; R338-L341 WeakPolarHBondContact O-CB 3.1Å; R338-L341 PolarHBondContact O-N 3.39Å
339	S	90.7	Very high	81.5	Confident	33 Å²	33	42.8 Å²	42.8	23%	0.231	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-38.8	174.1	-62.9	0	0	0	0	112.2	S335 S336 L337 L341 L342	S335-S339 PolarHBondContact O-N 3.42Å; S335-S339 PolarHBondContact O-OG 3.48Å; S336-S339 WeakPolarHBondContact O-CB 3.29Å; S336-S339 PolarHBondContact O-N 3.1Å; L337-S339 VanDerWaalsContact C-N 3.32Å; L337-S339 PolarHBondContact O-N 3.16Å; S339-L341 PolarHBondContact O-N 3.48Å; S339-L342 VanDerWaalsContact O-CB 3.32Å; S339-L342 WeakPolarHBondContact O-CB 3.27Å; S339-L342 WeakPolarHBondContact O-CG 3.47Å; S339-L342 PolarHBondContact O-N 3.06Å; S339-L342 VanDerWaalsContact O-N 3.11Å
340	R	89.6	Confident	83.2	Confident	73 Å²	73	44.8 Å²	44.8	28%	0.275	24%	0.237	S	C	.	.	H	α-helix	trans	-66	-23.5	176.2	-70.2	175.9	-174.8	167.5	6.3	113.3	D321 H323 E328 S336 L337 R338 L342 K548	D321-R340 IonicContact OD2-CZ 3.5Å; D321-R340 IonicContact OD2-NH1 3.54Å; D321-R340 IonicContact OD2-NH2 2.85Å; D321-R340 PolarHBondContact OD2-NH2 3.41Å; H323-R340 PolarHBondContact O-NH2 2.72Å; E328-R340 IonicContact OE1-CZ 3.18Å; E328-R340 IonicContact OE1-NE 2.74Å; E328-R340 PolarHBondContact OE1-NE 3.03Å; E328-R340 VanDerWaalsContact OE1-NE 3.16Å; E328-R340 IonicContact OE1-NH2 3.8Å; E328-R340 IonicContact OE2-CZ 2.63Å; E328-R340 IonicContact OE2-NE 3.02Å; E328-R340 PolarHBondContact OE2-NE 3.46Å; E328-R340 IonicContact OE2-NH2 3.32Å; E328-R340 PolarHBondContact OE2-NH2 2.91Å; S336-R340 WeakPolarHBondContact O-CG 3.48Å; S336-R340 PolarHBondContact O-N 2.92Å; L337-R340 PolarHBondContact O-N 3.05Å; R338-R340 VanDerWaalsContact C-N 3.33Å; R338-R340 PolarHBondContact O-N 2.93Å; R340-L342 VanDerWaalsContact C-N 3.28Å; R340-K548 PolarHBondContact O-NZ 3.21Å
341	L	93.5	Very high	84.9	Confident	33 Å²	33	43.3 Å²	43.3	17%	0.173	25%	0.251	C	S	.	.	H	α-helix	trans	-71.9	-22.3	173.6	-65.8	172.8	0	0	0	112.9	R203 L241 L337 R338 S339 G343 T344 L346	R203-L341 VanDerWaalsContact CZ-CD1 3.45Å; L241-L341 HydrophobicContact CD1-CB 4.49Å; L337-L341 WeakPolarHBondContact O-CG 3.22Å; L337-L341 PolarHBondContact O-N 3.31Å; R338-L341 WeakPolarHBondContact O-CB 3.1Å; R338-L341 PolarHBondContact O-N 3.39Å; S339-L341 PolarHBondContact O-N 3.48Å; L341-G343 PolarHBondContact O-N 2.92Å; L341-T344 WeakPolarHBondContact O-CB 3.41Å; L341-T344 PolarHBondContact O-N 3.36Å; L341-T344 PolarHBondContact O-OG1 3.22Å; L341-L346 HydrophobicContact CB-CD2 3.95Å; L341-L346 HydrophobicContact CD2-CD2 4.27Å
342	L	96.5	Very high	86.3	Confident	2 Å²	2	43 Å²	43	1%	0.01	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	134.3	178.7	-60.6	174.5	0	0	0	110.6	L238 L241 S339 R340 T344 V532 W537 Q545 K548	L238-L342 HydrophobicContact CD1-CD1 3.9Å; L238-L342 HydrophobicContact CD1-CG 4.26Å; L238-L342 HydrophobicContact CD2-CD1 4.29Å; L238-L342 HydrophobicContact CD2-CD2 4.44Å; L241-L342 HydrophobicContact CD1-CD2 3.82Å; L241-L342 HydrophobicContact CD1-CG 4.48Å; S339-L342 VanDerWaalsContact O-CB 3.32Å; S339-L342 WeakPolarHBondContact O-CB 3.27Å; S339-L342 WeakPolarHBondContact O-CG 3.47Å; S339-L342 PolarHBondContact O-N 3.06Å; S339-L342 VanDerWaalsContact O-N 3.11Å; R340-L342 VanDerWaalsContact C-N 3.28Å; L342-T344 PolarHBondContact O-N 3.22Å; L342-V532 WeakPolarHBondContact CA-O 3.22Å; L342-V532 HydrophobicContact CD2-CB 4.33Å; L342-V532 HydrophobicContact CD2-CG1 3.83Å; L342-W537 HydrophobicContact CD1-CH2 4.14Å; L342-W537 HydrophobicContact CD1-CZ3 3.69Å; L342-Q545 HydrophobicContact CB-CG 4.1Å; L342-K548 PolarHBondContact O-NZ 3.47Å
343	G	96.3	Very high	87.1	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.01	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	6.2	-174.2	0	0	0	0	0	115.2	L341 V532 A549	L341-G343 PolarHBondContact O-N 2.92Å; G343-V532 PolarHBondContact N-O 3.13Å; G343-A549 WeakPolarHBondContact O-CA 3.26Å; G343-A549 PolarHBondContact O-N 2.88Å
344	T	96.4	Very high	87.7	Confident	30 Å²	30	52.1 Å²	52.1	18%	0.184	30%	0.303	C	S	.	.	S	Bend	trans	-95	160.7	169.7	69.4	0	0	0	0	111.2	L341 L342 L346 K548 L552	L341-T344 WeakPolarHBondContact O-CB 3.41Å; L341-T344 PolarHBondContact O-N 3.36Å; L341-T344 PolarHBondContact O-OG1 3.22Å; L342-T344 PolarHBondContact O-N 3.22Å; T344-L346 PolarHBondContact O-N 3.12Å; T344-K548 VanDerWaalsContact CG2-CE 3.42Å; T344-K548 VanDerWaalsContact CG2-NZ 3.35Å; T344-L552 HydrophobicContact CG2-CD1 4.38Å
345	L	96.3	Very high	88.1	Confident	67 Å²	67	53.1 Å²	53.1	35%	0.351	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-76.5	108.8	172.5	-172.1	70.6	0	0	0	109	N347 N530 V531	L345-N347 VanDerWaalsContact CD1-O 3.32Å; L345-N347 WeakPolarHBondContact CD1-O 3.34Å; L345-N530 CarbonylContact C-O 3.52Å; L345-N530 WeakPolarHBondContact CA-O 3.46Å; L345-N530 HydrophobicContact CD1-CB 4Å; L345-V531 HydrophobicContact CD1-CG2 4.35Å
346	L	94.1	Very high	88.4	Confident	47 Å²	47	53.1 Å²	53.1	25%	0.246	31%	0.307	C	S	.	.	S	Bend	trans	-82	-43.7	179.6	-56.2	-174.7	0	0	0	111.8	L241 L341 T344 N530 V532	L241-L346 HydrophobicContact CD2-CD1 3.78Å; L341-L346 HydrophobicContact CB-CD2 3.95Å; L341-L346 HydrophobicContact CD2-CD2 4.27Å; T344-L346 PolarHBondContact O-N 3.12Å; L346-N530 PolarHBondContact N-O 2.91Å; L346-V532 HydrophobicContact CD1-CB 4.03Å; L346-V532 HydrophobicContact CD1-CG2 3.52Å
347	N	91.3	Very high	88.7	Confident	72 Å²	72	57.7 Å²	57.7	39%	0.385	34%	0.336	S	S	.	.	S	Bend	trans	-128.2	136.5	179.4	-62.9	-60	0	0	0	108.8	L345 A529 N530	L345-N347 VanDerWaalsContact CD1-O 3.32Å; L345-N347 WeakPolarHBondContact CD1-O 3.34Å; N347-A529 PolarHBondContact ND2-O 3.28Å; N347-N530 PolarHBondContact O-ND2 2.9Å
348	P	90.9	Very high	89	Confident	101 Å²	101	59.8 Å²	59.8	66%	0.656	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-59.9	146.5	177.1	26.1	-33.5	0	0	0	110.7	K350 N530	P348-K350 PolarHBondContact O-N 3.2Å; P348-N530 PolarHBondContact O-ND2 3.38Å; P348-N530 VanDerWaalsContact O-ND2 3.14Å
349	P	88.4	Confident	89.1	Confident	46 Å²	46	59.7 Å²	59.7	30%	0.299	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-54	136.8	171.6	-21.9	32.4	0	0	0	109.8	Y360 E486	P349-Y360 WeakPolarHBondContact CG-OH 3.19Å; P349-E486 HydrophobicContact CB-CG 4.11Å; P349-E486 HydrophobicContact CG-CG 3.75Å
350	K	80.6	Confident	89.4	Confident	161 Å²	161	59.5 Å²	59.5	70%	0.7	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-70	141	168.3	-71.2	-178	179.8	179.8	0	107.6	P348 S352	P348-K350 PolarHBondContact O-N 3.2Å; K350-S352 PolarHBondContact O-N 2.88Å; K350-S352 PolarHBondContact O-OG 3.47Å
351	G	74.9	Confident	89.8	Confident	76 Å²	76	56.1 Å²	56.1	78%	0.784	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-60	121.6	174.2	0	0	0	0	0	110	P353	G351-P353 VanDerWaalsContact C-CD 3.47Å; G351-P353 WeakPolarHBondContact O-CD 3.43Å
352	S	80.6	Confident	90	Very high	24 Å²	24	54.6 Å²	54.6	17%	0.168	32%	0.324	C	S	.	.			trans	-111.6	75.9	179.5	-60	0	0	0	0	109.7	K350 H354 L355	K350-S352 PolarHBondContact O-N 2.88Å; K350-S352 PolarHBondContact O-OG 3.47Å; S352-H354 PolarHBondContact O-N 3.39Å; S352-H354 VanDerWaalsContact O-N 3.11Å; S352-L355 PolarHBondContact O-N 3.49Å
353	P	77.4	Confident	90.1	Very high	127 Å²	127	54.5 Å²	54.5	83%	0.825	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.6	-172.8	26.6	-35.6	0	0	0	113.5	G351	G351-P353 VanDerWaalsContact C-CD 3.47Å; G351-P353 WeakPolarHBondContact O-CD 3.43Å
354	H	84.9	Confident	90.2	Very high	113 Å²	113	54.4 Å²	54.4	52%	0.523	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-12.1	178.7	55.2	-77.1	0	0	0	114	S352 D482	S352-H354 PolarHBondContact O-N 3.39Å; S352-H354 VanDerWaalsContact O-N 3.11Å; H354-D482 PolarHBondContact NE2-O 3.34Å
355	L	87.4	Confident	90.2	Very high	34 Å²	34	53 Å²	53	18%	0.178	31%	0.314	C	S	.	.	S	Bend	trans	-95.3	138.2	175.9	-63.8	178.1	0	0	0	110.1	S352 H485	S352-L355 PolarHBondContact O-N 3.49Å; L355-H485 WeakPolarHBondContact CB-NE2 3.34Å
356	P	88.3	Confident	90	Very high	31 Å²	31	49.9 Å²	49.9	20%	0.201	30%	0.298	C	S	.	.			trans	-65.7	147.1	170.5	30.1	-33.8	0	0	0	109.7	T358 H485	P356-T358 PolarHBondContact O-N 2.99Å; P356-T358 VanDerWaalsContact O-N 3.17Å; P356-H485 PolarHBondContact O-NE2 2.92Å
357	P	87.9	Confident	89.8	Confident	103 Å²	103	48 Å²	48	67%	0.669	29%	0.289	S	S	*	.	S	Bend	trans	-62.6	-26.3	-179.6	25.4	-34.6	0	0	0	112.7
358	T	91	Very high	89.8	Confident	79 Å²	79	46 Å²	46	49%	0.485	28%	0.281	S	S	.	.	S	Bend	trans	-132.4	135.8	176.4	53	0	0	0	0	111.5	P356	P356-T358 PolarHBondContact O-N 2.99Å; P356-T358 VanDerWaalsContact O-N 3.17Å
359	P	94.5	Very high	89.7	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.006	25%	0.254	C	S	.	.	S	Bend	cis	-68.4	147	-4.9	28.8	-35.5	0	0	0	112.6	V361 V457 R461 R465 G466	P359-V361 PolarHBondContact O-N 3.5Å; P359-V457 HydrophobicContact CG-CG1 3.91Å; P359-R461 HydrophobicContact CG-CB 4.39Å; P359-R465 WeakPolarHBondContact CB-O 3.44Å; P359-G466 CarbonylContact C-O 3.54Å; P359-G466 WeakPolarHBondContact CA-O 3.4Å
360	Y	96.8	Very high	90	Very high	28 Å²	28	39.5 Å²	39.5	11%	0.11	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	113.5	170.6	-159.6	-93.8	0	0	0	109.6	P349 I362 G466 V467 C468 H485 E486 L553 I557	P349-Y360 WeakPolarHBondContact CG-OH 3.19Å; Y360-I362 HydrophobicContact CD1-CG1 4.41Å; Y360-G466 PolarHBondContact N-O 2.69Å; Y360-V467 CarbonylContact O-C 3.52Å; Y360-V467 VanDerWaalsContact O-CA 3.31Å; Y360-V467 WeakPolarHBondContact O-CA 3.31Å; Y360-V467 WeakPolarHBondContact O-CG1 3.23Å; Y360-C468 PolarHBondContact O-N 3.21Å; Y360-H485 HydrophobicContact CD1-CB 4.25Å; Y360-H485 HydrophobicContact CD2-CB 4.2Å; Y360-H485 AromaticContact CD2-CG 3.99Å; Y360-H485 HydrophobicContact CE1-CB 3.75Å; Y360-H485 HydrophobicContact CE2-CB 3.68Å; Y360-H485 AromaticContact CE2-CG 3.87Å; Y360-H485 HydrophobicContact CG-CB 4.48Å; Y360-H485 VanDerWaalsContact CZ-CB 3.47Å; Y360-E486 HydrophobicContact CE1-CB 4.36Å; Y360-E486 HydrophobicContact CE1-CG 3.98Å; Y360-E486 WeakPolarHBondContact OH-CG 3.29Å; Y360-E486 PolarHBondContact OH-OE1 3.26Å; Y360-L553 HydrophobicContact CD1-CD1 3.8Å; Y360-L553 HydrophobicContact CE1-CD1 3.55Å; Y360-I557 HydrophobicContact CD1-CG2 3.98Å; Y360-I557 HydrophobicContact CD2-CB 4.28Å; Y360-I557 HydrophobicContact CD2-CG2 3.52Å; Y360-I557 HydrophobicContact CE1-CG2 4.06Å; Y360-I557 HydrophobicContact CE2-CG2 3.64Å; Y360-I557 HydrophobicContact CG-CB 4.48Å; Y360-I557 HydrophobicContact CG-CG2 3.67Å
361	V	97.6	Very high	90.5	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.6	-178	-167.7	0	0	0	0	112	P359 V457 C468 V470 V484 H485	P359-V361 PolarHBondContact O-N 3.5Å; V361-V457 HydrophobicContact CG1-CG2 4.37Å; V361-V457 HydrophobicContact CG2-CG1 3.74Å; V361-V457 HydrophobicContact CG2-CG2 4.14Å; V361-C468 CarbonylContact C-O 3.56Å; V361-C468 WeakPolarHBondContact CA-O 3.43Å; V361-C468 HydrophobicContact CG1-CB 4.47Å; V361-C468 HydrophobicContact CG2-CB 4.41Å; V361-V470 HydrophobicContact CG1-CG2 3.6Å; V361-V484 HydrophobicContact CG1-CB 4.2Å; V361-V484 HydrophobicContact CG1-CG1 3.81Å; V361-H485 PolarHBondContact N-CE1 3Å; V361-H485 PolarHBondContact N-ND1 2.89Å; V361-H485 PolarHBondContact O-N 3.48Å; V361-H485 PolarHBondContact O-ND1 3.46Å
362	I	98.1	Very high	91.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.5	171.8	-56.1	169.9	0	0	0	108.6	Y360 V467 C468 V469 V470 E486 W488 L553	Y360-I362 HydrophobicContact CD1-CG1 4.41Å; I362-V467 HydrophobicContact CD1-CG1 3.82Å; I362-V467 HydrophobicContact CG1-CG1 4.28Å; I362-C468 PolarHBondContact N-O 3.42Å; I362-V469 HydrophobicContact CB-CG2 4.35Å; I362-V469 HydrophobicContact CD1-CG2 4.29Å; I362-V469 CarbonylContact O-C 3.59Å; I362-V469 WeakPolarHBondContact O-CA 3.32Å; I362-V470 PolarHBondContact O-N 2.82Å; I362-E486 CarbonylContact C-O 3.59Å; I362-E486 WeakPolarHBondContact CA-O 3.43Å; I362-W488 HydrophobicContact CD1-CH2 4.38Å; I362-W488 HydrophobicContact CD1-CZ2 4.04Å; I362-W488 HydrophobicContact CG2-CB 3.94Å; I362-W488 HydrophobicContact CG2-CD2 3.79Å; I362-W488 HydrophobicContact CG2-CG 3.48Å; I362-W488 VanDerWaalsContact CG2-CG 3.48Å; I362-L553 HydrophobicContact CD1-CD2 3.58Å; I362-L553 HydrophobicContact CG1-CD2 4.39Å
363	G	97.9	Very high	92	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	111.7	167.5	0	0	0	0	0	110.4	E486 V487 W488	G363-E486 PolarHBondContact N-O 3.01Å; G363-V487 CarbonylContact O-C 3.31Å; G363-V487 WeakPolarHBondContact O-CA 3.36Å; G363-W488 PolarHBondContact O-N 2.98Å
364	L	98.2	Very high	92.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.4	178.9	-168.5	74.2	0	0	0	109.8	K372 V375 A376 V469 V470 A472 W488 I490	L364-K372 HydrophobicContact CD2-CG 3.84Å; L364-K372 HydrophobicContact CG-CD 4.45Å; L364-K372 HydrophobicContact CG-CG 4Å; L364-V375 HydrophobicContact CD1-CG1 4.1Å; L364-V375 HydrophobicContact CD2-CG1 4.28Å; L364-A376 HydrophobicContact CD2-CB 3.69Å; L364-V469 HydrophobicContact CB-CG1 3.69Å; L364-V469 HydrophobicContact CD2-CG1 4.1Å; L364-V469 HydrophobicContact CG-CG1 4.47Å; L364-V470 PolarHBondContact N-O 3.35Å; L364-A472 PolarHBondContact O-N 2.84Å; L364-W488 WeakPolarHBondContact CA-O 3.41Å; L364-W488 HydrophobicContact CD1-CB 3.76Å; L364-I490 HydrophobicContact CD1-CD1 3.39Å; L364-I490 HydrophobicContact CD1-CG1 4.42Å; L364-I490 HydrophobicContact CD2-CD1 4.22Å; L364-I490 HydrophobicContact CG-CD1 3.59Å
365	T	96.4	Very high	93.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	167.8	180	-168.4	0	0	0	0	111.7	A472 A473 L475 L476 V487 W488 V489 I490	T365-A472 WeakPolarHBondContact CA-O 3.47Å; T365-A472 WeakPolarHBondContact CB-O 3.49Å; T365-A472 PolarHBondContact OG1-O 3.01Å; T365-A472 VanDerWaalsContact OG1-O 3.13Å; T365-A473 PolarHBondContact OG1-O 3.02Å; T365-L475 HydrophobicContact CG2-CB 4.46Å; T365-L475 HydrophobicContact CG2-CD2 4.29Å; T365-L476 HydrophobicContact CG2-CD1 4.2Å; T365-L476 HydrophobicContact CG2-CG 4.22Å; T365-V487 HydrophobicContact CG2-CG1 4.08Å; T365-W488 PolarHBondContact N-O 3.45Å; T365-V489 HydrophobicContact CG2-CG2 3.8Å; T365-V489 CarbonylContact O-C 3.57Å; T365-V489 VanDerWaalsContact O-CA 3.32Å; T365-V489 WeakPolarHBondContact O-CA 3.48Å; T365-I490 WeakPolarHBondContact O-CD1 3.3Å; T365-I490 PolarHBondContact O-N 2.72Å
366	G	93.4	Very high	93.9	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.7	157.5	178.4	0	0	0	0	0	110.5	I490	G366-I490 WeakPolarHBondContact CA-O 3.38Å
367	S	90.2	Very high	94.3	Very high	9 Å²	9	26.4 Å²	26.4	6%	0.063	16%	0.162	C	C	.	.			trans	-60.6	156.4	179	60.9	0	0	0	0	111.8	G369 S370	S367-G369 PolarHBondContact O-N 2.88Å; S367-S370 WeakPolarHBondContact O-CB 3.35Å; S367-S370 PolarHBondContact O-N 2.93Å; S367-S370 PolarHBondContact O-OG 2.84Å
368	S	89.8	Confident	94.8	Very high	29 Å²	29	23.4 Å²	23.4	20%	0.203	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	140.5	170.2	-170.3	0	0	0	0	110.6	S370 I501	S368-S370 VanDerWaalsContact C-N 3.25Å; S368-S370 PolarHBondContact O-N 3.28Å; S368-I501 WeakPolarHBondContact OG-CD1 3.48Å
369	G	90.4	Very high	95.1	Very high	8 Å²	8	19.6 Å²	19.6	8%	0.082	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	-12.6	-174.9	0	0	0	0	0	115.6	S367 G371 I492 R500	S367-G369 PolarHBondContact O-N 2.88Å; G369-G371 PolarHBondContact O-N 2.82Å; G369-I492 VanDerWaalsContact O-CD1 3.24Å; G369-I492 WeakPolarHBondContact O-CD1 3.35Å; G369-R500 WeakPolarHBondContact O-CD 3.27Å
370	S	93.3	Very high	95.2	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.021	14%	0.138	C	C	.	.	S	Bend	trans	-65.3	-9.1	-176.6	63.8	0	0	0	0	116.1	S367 S368 I490 T535	S367-S370 WeakPolarHBondContact O-CB 3.35Å; S367-S370 PolarHBondContact O-N 2.93Å; S367-S370 PolarHBondContact O-OG 2.84Å; S368-S370 VanDerWaalsContact C-N 3.25Å; S368-S370 PolarHBondContact O-N 3.28Å; S370-I490 WeakPolarHBondContact O-CG2 3.46Å; S370-T535 WeakPolarHBondContact O-CG2 3.5Å; S370-T535 PolarHBondContact O-OG1 3.02Å
371	G	92.5	Very high	95.2	Very high	27 Å²	27	29.2 Å²	29.2	28%	0.278	17%	0.17	S	C	.	.			trans	77.1	19.2	-179.3	0	0	0	0	0	114.6	G369 S373 S374 V375	G369-G371 PolarHBondContact O-N 2.82Å; G371-S373 VanDerWaalsContact C-N 3.26Å; G371-S373 PolarHBondContact O-N 2.74Å; G371-S373 VanDerWaalsContact O-N 3.16Å; G371-S374 WeakPolarHBondContact O-CA 3.48Å; G371-S374 WeakPolarHBondContact O-CB 3.24Å; G371-S374 PolarHBondContact O-N 2.98Å; G371-V375 PolarHBondContact O-N 2.6Å
372	K	94.6	Very high	95.2	Very high	15 Å²	15	31.6 Å²	31.6	7%	0.065	18%	0.183	C	C	.	.	H	α-helix	trans	-41.9	-47.5	174	178	172	59.8	63.7	0	114	L364 S374 V375 A376 D471 I490	L364-K372 HydrophobicContact CD2-CG 3.84Å; L364-K372 HydrophobicContact CG-CD 4.45Å; L364-K372 HydrophobicContact CG-CG 4Å; K372-S374 PolarHBondContact O-N 2.84Å; K372-V375 PolarHBondContact O-N 2.94Å; K372-V375 VanDerWaalsContact O-N 3.14Å; K372-A376 PolarHBondContact O-N 3.28Å; K372-D471 WeakPolarHBondContact CD-OD1 3.5Å; K372-D471 WeakPolarHBondContact CE-OD1 3.49Å; K372-D471 VanDerWaalsContact CG-OD1 3.23Å; K372-D471 WeakPolarHBondContact CG-OD1 3.29Å; K372-D471 IonicContact NZ-OD1 2.73Å; K372-D471 PolarHBondContact NZ-OD1 2.92Å; K372-D471 IonicContact NZ-OD2 3.45Å; K372-I490 HydrophobicContact CB-CD1 4Å; K372-I490 HydrophobicContact CG-CD1 3.91Å
373	S	92.6	Very high	95.1	Very high	56 Å²	56	33.5 Å²	33.5	39%	0.392	20%	0.202	S	C	.	.	H	α-helix	trans	-64.3	-26.8	-179.5	-45.1	0	0	0	0	113.5	G371 K377	G371-S373 VanDerWaalsContact C-N 3.26Å; G371-S373 PolarHBondContact O-N 2.74Å; G371-S373 VanDerWaalsContact O-N 3.16Å; S373-K377 VanDerWaalsContact O-CG 3.31Å; S373-K377 WeakPolarHBondContact O-CG 3.43Å; S373-K377 PolarHBondContact O-N 3.04Å
374	S	95.1	Very high	95.1	Very high	61 Å²	61	33.8 Å²	33.8	43%	0.427	20%	0.204	S	C	.	.	H	α-helix	trans	-68.4	-47.3	173.1	-175.9	0	0	0	0	110.7	G371 K372 A376 K377 Q378	G371-S374 WeakPolarHBondContact O-CA 3.48Å; G371-S374 WeakPolarHBondContact O-CB 3.24Å; G371-S374 PolarHBondContact O-N 2.98Å; K372-S374 PolarHBondContact O-N 2.84Å; S374-A376 PolarHBondContact O-N 2.79Å; S374-K377 PolarHBondContact O-N 3.23Å; S374-Q378 WeakPolarHBondContact O-CG 3.46Å; S374-Q378 PolarHBondContact O-N 3.47Å; S374-Q378 VanDerWaalsContact O-N 3.14Å
375	V	97.6	Very high	95	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-43.8	176.6	173.2	0	0	0	0	111.3	L364 G371 K372 K377 Q378 L379 I490 L533 T535 T542 V546	L364-V375 HydrophobicContact CD1-CG1 4.1Å; L364-V375 HydrophobicContact CD2-CG1 4.28Å; G371-V375 PolarHBondContact O-N 2.6Å; K372-V375 PolarHBondContact O-N 2.94Å; K372-V375 VanDerWaalsContact O-N 3.14Å; V375-K377 VanDerWaalsContact C-N 3.32Å; V375-K377 PolarHBondContact O-N 3.07Å; V375-Q378 WeakPolarHBondContact O-CB 3.4Å; V375-Q378 PolarHBondContact O-N 3.41Å; V375-Q378 VanDerWaalsContact O-N 3.12Å; V375-L379 HydrophobicContact CG1-CD1 4.15Å; V375-L379 PolarHBondContact O-N 3.45Å; V375-I490 HydrophobicContact CB-CG1 4.37Å; V375-I490 HydrophobicContact CG2-CG1 4.08Å; V375-L533 HydrophobicContact CG1-CD1 3.69Å; V375-T535 HydrophobicContact CG2-CG2 4.04Å; V375-T542 HydrophobicContact CG2-CG2 4.08Å; V375-V546 HydrophobicContact CG1-CG2 3.97Å; V375-V546 HydrophobicContact CG2-CG2 4.34Å
376	A	97	Very high	95.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.3	-41.7	177.5	0	0	0	0	0	112.6	L364 K372 S374 L379 E380	L364-A376 HydrophobicContact CD2-CB 3.69Å; K372-A376 PolarHBondContact O-N 3.28Å; S374-A376 PolarHBondContact O-N 2.79Å; A376-L379 PolarHBondContact O-N 3.39Å; A376-E380 PolarHBondContact O-N 3.29Å
377	K	96.1	Very high	95.2	Very high	131 Å²	131	38.5 Å²	38.5	57%	0.57	23%	0.227	S	C	*	.	H	α-helix	trans	-64.8	-38.9	175.2	-73.8	173.7	-178.3	-176.3	0	112.2	S373 S374 V375 L379 E380 V381	S373-K377 VanDerWaalsContact O-CG 3.31Å; S373-K377 WeakPolarHBondContact O-CG 3.43Å; S373-K377 PolarHBondContact O-N 3.04Å; S374-K377 PolarHBondContact O-N 3.23Å; V375-K377 VanDerWaalsContact C-N 3.32Å; V375-K377 PolarHBondContact O-N 3.07Å; K377-L379 VanDerWaalsContact C-N 3.35Å; K377-E380 WeakPolarHBondContact O-CB 3.37Å; K377-E380 PolarHBondContact O-N 2.91Å; K377-V381 WeakPolarHBondContact O-CG2 3.31Å; K377-V381 PolarHBondContact O-N 3.34Å
378	Q	97.6	Very high	95.5	Very high	40 Å²	40	39.1 Å²	39.1	19%	0.187	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-40.9	176.1	-67.9	-179.3	34.1	0	0	111.6	S374 V375 E380 V381 L382 V546	S374-Q378 WeakPolarHBondContact O-CG 3.46Å; S374-Q378 PolarHBondContact O-N 3.47Å; S374-Q378 VanDerWaalsContact O-N 3.14Å; V375-Q378 WeakPolarHBondContact O-CB 3.4Å; V375-Q378 PolarHBondContact O-N 3.41Å; V375-Q378 VanDerWaalsContact O-N 3.12Å; Q378-E380 VanDerWaalsContact C-N 3.32Å; Q378-E380 PolarHBondContact O-N 2.91Å; Q378-V381 PolarHBondContact O-N 3.41Å; Q378-L382 WeakPolarHBondContact O-CG 3.48Å; Q378-L382 PolarHBondContact O-N 3Å; Q378-V546 HydrophobicContact CB-CG1 4.06Å
379	L	98	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-36.2	174.9	-69.8	169.6	0	0	0	112.4	V375 A376 K377 L382 G383 A384 V469 W488 V546 W550	V375-L379 HydrophobicContact CG1-CD1 4.15Å; V375-L379 PolarHBondContact O-N 3.45Å; A376-L379 PolarHBondContact O-N 3.39Å; K377-L379 VanDerWaalsContact C-N 3.35Å; L379-L382 PolarHBondContact O-N 3.02Å; L379-G383 PolarHBondContact O-N 2.68Å; L379-A384 HydrophobicContact CB-CB 4.27Å; L379-A384 VanDerWaalsContact O-CB 3.31Å; L379-A384 WeakPolarHBondContact O-CB 3.39Å; L379-A384 PolarHBondContact O-N 2.84Å; L379-V469 HydrophobicContact CB-CG2 4.2Å; L379-V469 HydrophobicContact CD1-CG1 4.33Å; L379-V469 HydrophobicContact CD1-CG2 3.93Å; L379-W488 HydrophobicContact CD1-CE3 4.33Å; L379-W488 HydrophobicContact CD1-CZ3 4.23Å; L379-W488 HydrophobicContact CD2-CH2 4.36Å; L379-W488 HydrophobicContact CD2-CZ3 3.91Å; L379-V546 HydrophobicContact CD2-CG1 3.9Å; L379-V546 HydrophobicContact CG-CG1 4.2Å; L379-W550 HydrophobicContact CD2-CE3 3.78Å; L379-W550 HydrophobicContact CD2-CZ3 4.28Å
380	E	96.8	Very high	95.5	Very high	100 Å²	100	41.5 Å²	41.5	47%	0.467	24%	0.238	S	C	.	.	H	α-helix	trans	-62.8	-43.1	174.6	-173.4	172.6	-156.8	0	0	111.9	A376 K377 Q378 L382 G383 A384	A376-E380 PolarHBondContact O-N 3.29Å; K377-E380 WeakPolarHBondContact O-CB 3.37Å; K377-E380 PolarHBondContact O-N 2.91Å; Q378-E380 VanDerWaalsContact C-N 3.32Å; Q378-E380 PolarHBondContact O-N 2.91Å; E380-L382 PolarHBondContact O-N 3.33Å; E380-G383 PolarHBondContact O-N 3.35Å; E380-A384 WeakPolarHBondContact CA-O 3.36Å
381	V	97	Very high	95.4	Very high	131 Å²	131	47.4 Å²	47.4	79%	0.794	26%	0.263	S	S	*	.	H	α-helix	trans	-60.7	-32.8	173.3	171.6	0	0	0	0	112.1	K377 Q378 G383	K377-V381 WeakPolarHBondContact O-CG2 3.31Å; K377-V381 PolarHBondContact O-N 3.34Å; Q378-V381 PolarHBondContact O-N 3.41Å; V381-G383 PolarHBondContact O-N 2.99Å
382	L	96.9	Very high	95.3	Very high	53 Å²	53	47.1 Å²	47.1	28%	0.277	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-2.7	175.9	-64.6	170.8	0	0	0	113.6	Q378 L379 E380 V546 L547 W550	Q378-L382 WeakPolarHBondContact O-CG 3.48Å; Q378-L382 PolarHBondContact O-N 3Å; L379-L382 PolarHBondContact O-N 3.02Å; E380-L382 PolarHBondContact O-N 3.33Å; L382-V546 HydrophobicContact CD1-CG1 4.02Å; L382-L547 HydrophobicContact CD1-CD2 4.12Å; L382-L547 HydrophobicContact CD2-CD2 3.71Å; L382-W550 HydrophobicContact CB-CD2 4.03Å; L382-W550 HydrophobicContact CB-CG 4.34Å; L382-W550 HydrophobicContact CB-CZ2 4.19Å; L382-W550 HydrophobicContact CD1-CB 3.88Å; L382-W550 HydrophobicContact CD1-CD2 4.17Å; L382-W550 HydrophobicContact CD1-CG 3.79Å; L382-W550 VanDerWaalsContact O-CZ2 3.26Å; L382-W550 WeakPolarHBondContact O-CZ2 3.1Å
383	G	95.8	Very high	95	Very high	40 Å²	40	46.9 Å²	46.9	41%	0.412	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.3	3.8	172.9	0	0	0	0	0	115.3	L379 E380 V381	L379-G383 PolarHBondContact O-N 2.68Å; E380-G383 PolarHBondContact O-N 3.35Å; V381-G383 PolarHBondContact O-N 2.99Å
384	A	97.3	Very high	94.7	Very high	5 Å²	5	47.4 Å²	47.4	4%	0.041	25%	0.253	C	S	.	.			trans	-73.8	145.3	174.7	0	0	0	0	0	112	L379 E380 V467 V469 W550	L379-A384 HydrophobicContact CB-CB 4.27Å; L379-A384 VanDerWaalsContact O-CB 3.31Å; L379-A384 WeakPolarHBondContact O-CB 3.39Å; L379-A384 PolarHBondContact O-N 2.84Å; E380-A384 WeakPolarHBondContact CA-O 3.36Å; A384-V467 HydrophobicContact CB-CB 4.4Å; A384-V467 HydrophobicContact CB-CG1 4.17Å; A384-V469 HydrophobicContact CB-CG2 3.77Å; A384-W550 HydrophobicContact CB-CH2 4.04Å; A384-W550 HydrophobicContact CB-CZ3 3.99Å
385	V	97.6	Very high	94.3	Very high	40 Å²	40	49.5 Å²	49.5	24%	0.242	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	115.5	170.7	179.7	0	0	0	0	109.4	A460 R465 V467 C468 V469	V385-A460 HydrophobicContact CB-CB 4.41Å; V385-A460 HydrophobicContact CG1-CB 4.32Å; V385-A460 HydrophobicContact CG2-CB 4.26Å; V385-R465 HydrophobicContact CG2-CB 3.78Å; V385-R465 HydrophobicContact CG2-CG 3.54Å; V385-V467 PolarHBondContact N-O 2.84Å; V385-C468 CarbonylContact O-C 3.6Å; V385-C468 WeakPolarHBondContact O-CA 3.4Å; V385-V469 PolarHBondContact O-N 3.16Å
386	R	97.1	Very high	94	Very high	52 Å²	52	49.8 Å²	49.8	20%	0.196	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	122.4	176.1	175.8	-174.9	149.3	107.1	3.6	110.8	D388 D471	R386-D388 IonicContact CZ-OD2 3.84Å; R386-D388 IonicContact NH2-OD2 2.57Å; R386-D388 PolarHBondContact NH2-OD2 3.28Å; R386-D471 IonicContact CZ-OD2 2.74Å; R386-D471 VanDerWaalsContact CZ-OD2 3.24Å; R386-D471 IonicContact NH1-OD2 2.96Å; R386-D471 PolarHBondContact NH1-OD2 3.04Å; R386-D471 IonicContact NH2-OD2 3.82Å; R386-D471 PolarHBondContact NH2-OD2 3.36Å
387	I	96.6	Very high	93.6	Very high	9 Å²	9	51 Å²	51	5%	0.046	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	106.5	172.2	-58.4	171	0	0	0	107.1	C389 L392 V453 A456 V457 C468 V469 V470 D471	I387-C389 PolarHBondContact O-N 3.45Å; I387-L392 HydrophobicContact CG2-CD1 3.69Å; I387-V453 HydrophobicContact CG2-CG2 4.22Å; I387-A456 HydrophobicContact CD1-CB 3.85Å; I387-A456 HydrophobicContact CG1-CB 4.08Å; I387-A456 HydrophobicContact CG2-CB 4.07Å; I387-V457 HydrophobicContact CD1-CB 4.44Å; I387-V457 HydrophobicContact CD1-CG2 3.48Å; I387-V457 VanDerWaalsContact CD1-CG2 3.48Å; I387-C468 HydrophobicContact CD1-CB 4.29Å; I387-V469 PolarHBondContact N-O 2.93Å; I387-V470 HydrophobicContact CD1-CG2 4.42Å; I387-D471 PolarHBondContact O-N 2.89Å
388	D	95.3	Very high	93.2	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.112	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	103.3	-174.2	-175.5	-22.6	0	0	0	110.7	R386 D390 K391 L392	R386-D388 IonicContact CZ-OD2 3.84Å; R386-D388 IonicContact NH2-OD2 2.57Å; R386-D388 PolarHBondContact NH2-OD2 3.28Å; D388-D390 VanDerWaalsContact C-N 3.25Å; D388-D390 PolarHBondContact O-N 3.48Å; D388-D390 WeakPolarHBondContact OD1-CB 3.44Å; D388-D390 PolarHBondContact OD1-N 3.42Å; D388-K391 HydrophobicContact CB-CB 4.11Å; D388-K391 HydrophobicContact CB-CD 3.97Å; D388-K391 HydrophobicContact CB-CG 4.07Å; D388-K391 WeakPolarHBondContact O-CB 3.49Å; D388-K391 PolarHBondContact O-N 3.26Å; D388-K391 PolarHBondContact OD1-N 3.1Å; D388-K391 VanDerWaalsContact OD1-N 3.16Å; D388-K391 WeakPolarHBondContact OD2-CD 3.42Å; D388-K391 VanDerWaalsContact OD2-CE 3.27Å; D388-K391 WeakPolarHBondContact OD2-CE 3.4Å; D388-K391 WeakPolarHBondContact OD2-CG 3.35Å; D388-L392 WeakPolarHBondContact O-CG 3.46Å; D388-L392 PolarHBondContact O-N 2.82Å
389	C	93.6	Very high	92.7	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.034	27%	0.265	C	S	.	.	H	α-helix	trans	-69.9	-22.6	-176.9	-67.8	0	0	0	0	113.1	I387 K391 G393 I449 V470 D471 A472 W480	I387-C389 PolarHBondContact O-N 3.45Å; C389-K391 VanDerWaalsContact C-N 3.33Å; C389-G393 PolarHBondContact O-N 3.11Å; C389-I449 HydrophobicContact CB-CG2 4.3Å; C389-V470 VanDerWaalsContact SG-CG1 3.55Å; C389-D471 WeakPolarHBondContact CB-O 3.34Å; C389-D471 PolarHBondContact N-O 2.98Å; C389-A472 HydrophobicContact CB-CB 3.82Å; C389-W480 HydrophobicContact CB-CZ3 4.14Å
390	D	88	Confident	92.1	Very high	83 Å²	83	53.8 Å²	53.8	44%	0.444	31%	0.305	S	S	.	.	H	α-helix	trans	-70.5	-36	174.5	-63	-31.4	0	0	0	109.9	D388 H394	D388-D390 VanDerWaalsContact C-N 3.25Å; D388-D390 PolarHBondContact O-N 3.48Å; D388-D390 WeakPolarHBondContact OD1-CB 3.44Å; D388-D390 PolarHBondContact OD1-N 3.42Å; D390-H394 PolarHBondContact O-CE1 3.41Å; D390-H394 PolarHBondContact O-N 2.94Å; D390-H394 PolarHBondContact O-ND1 3.07Å; D390-H394 VanDerWaalsContact O-ND1 3.15Å
391	K	89.9	Confident	91.6	Very high	126 Å²	126	50.4 Å²	50.4	55%	0.548	30%	0.295	S	S	.	.	H	α-helix	trans	-67.8	-49.9	171.5	-70.8	-178.8	-172.8	179.5	0	112	D388 C389 G393 H394 E395	D388-K391 HydrophobicContact CB-CB 4.11Å; D388-K391 HydrophobicContact CB-CD 3.97Å; D388-K391 HydrophobicContact CB-CG 4.07Å; D388-K391 WeakPolarHBondContact O-CB 3.49Å; D388-K391 PolarHBondContact O-N 3.26Å; D388-K391 PolarHBondContact OD1-N 3.1Å; D388-K391 VanDerWaalsContact OD1-N 3.16Å; D388-K391 WeakPolarHBondContact OD2-CD 3.42Å; D388-K391 VanDerWaalsContact OD2-CE 3.27Å; D388-K391 WeakPolarHBondContact OD2-CE 3.4Å; D388-K391 WeakPolarHBondContact OD2-CG 3.35Å; C389-K391 VanDerWaalsContact C-N 3.33Å; K391-G393 PolarHBondContact O-N 3.39Å; K391-H394 WeakPolarHBondContact O-CB 3.37Å; K391-H394 PolarHBondContact O-N 3.5Å; K391-E395 PolarHBondContact O-N 2.99Å
392	L	91.4	Very high	90.9	Very high	22 Å²	22	49.8 Å²	49.8	12%	0.115	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-37.2	177.8	-64.7	-179.5	0	0	0	111.7	I387 D388 H394 E395 V396 I449 L452 V453	I387-L392 HydrophobicContact CG2-CD1 3.69Å; D388-L392 WeakPolarHBondContact O-CG 3.46Å; D388-L392 PolarHBondContact O-N 2.82Å; L392-H394 PolarHBondContact O-N 3.45Å; L392-E395 WeakPolarHBondContact O-CB 3.46Å; L392-E395 PolarHBondContact O-N 3.3Å; L392-V396 PolarHBondContact O-N 2.97Å; L392-I449 HydrophobicContact CB-CG2 4.33Å; L392-L452 HydrophobicContact CB-CD1 4.31Å; L392-L452 HydrophobicContact CD1-CB 4.09Å; L392-L452 HydrophobicContact CD2-CB 4.27Å; L392-L452 HydrophobicContact CD2-CD1 4.33Å; L392-V453 HydrophobicContact CD1-CG2 3.75Å
393	G	87.7	Confident	90.6	Very high	9 Å²	9	47.3 Å²	47.3	9%	0.093	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-31.9	174.7	0	0	0	0	0	113.7	C389 K391 V396 Y397	C389-G393 PolarHBondContact O-N 3.11Å; K391-G393 PolarHBondContact O-N 3.39Å; G393-V396 WeakPolarHBondContact O-CG2 3.36Å; G393-Y397 WeakPolarHBondContact O-CD1 3.48Å; G393-Y397 WeakPolarHBondContact O-CE1 3.41Å
394	H	85.8	Confident	90.5	Very high	68 Å²	68	46.8 Å²	46.8	32%	0.315	26%	0.256	S	S	.	.	H	α-helix	trans	-76.9	-23.8	174.4	-61.4	141.4	0	0	0	113.4	D390 K391 L392 Y397 Q398 R424	D390-H394 PolarHBondContact O-CE1 3.41Å; D390-H394 PolarHBondContact O-N 2.94Å; D390-H394 PolarHBondContact O-ND1 3.07Å; D390-H394 VanDerWaalsContact O-ND1 3.15Å; K391-H394 WeakPolarHBondContact O-CB 3.37Å; K391-H394 PolarHBondContact O-N 3.5Å; L392-H394 PolarHBondContact O-N 3.45Å; H394-Y397 PolarHBondContact CD2-OH 2.94Å; H394-Q398 WeakPolarHBondContact O-CG 3.42Å; H394-Q398 PolarHBondContact O-NE2 3.23Å; H394-R424 PolarHBondContact CD2-NH1 2.9Å; H394-R424 PolarHBondContact CE1-NH1 2.72Å; H394-R424 PolarHBondContact ND1-NH1 3.11Å; H394-R424 PolarHBondContact NE2-NH1 3.32Å
395	E	87.7	Confident	90.2	Very high	104 Å²	104	53 Å²	53	49%	0.486	28%	0.284	S	S	.	.	H	α-helix	trans	-79.5	-35.3	-178.4	-67.5	171.8	-168	0	0	111.6	K391 L392 Y397 Q398	K391-E395 PolarHBondContact O-N 2.99Å; L392-E395 WeakPolarHBondContact O-CB 3.46Å; L392-E395 PolarHBondContact O-N 3.3Å; E395-Y397 PolarHBondContact O-N 3.28Å; E395-Y397 VanDerWaalsContact O-N 3.07Å; E395-Q398 PolarHBondContact O-N 3.38Å; E395-Q398 VanDerWaalsContact O-N 3.11Å
396	V	90	Very high	89.9	Confident	7 Å²	7	55.4 Å²	55.4	4%	0.042	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-22	-173.6	-67.7	0	0	0	0	115	L392 G393 A401 C403 V445 E448 I449 L452	L392-V396 PolarHBondContact O-N 2.97Å; G393-V396 WeakPolarHBondContact O-CG2 3.36Å; V396-A401 WeakPolarHBondContact O-CB 3.41Å; V396-C403 VanDerWaalsContact O-CB 3.25Å; V396-C403 WeakPolarHBondContact O-CB 3.43Å; V396-C403 PolarHBondContact O-N 3.27Å; V396-V445 HydrophobicContact CG2-CG1 3.77Å; V396-V445 HydrophobicContact CG2-CG2 4.38Å; V396-E448 HydrophobicContact CB-CB 4.22Å; V396-E448 HydrophobicContact CG1-CB 3.81Å; V396-I449 HydrophobicContact CG1-CG1 3.86Å; V396-I449 HydrophobicContact CG2-CG1 4.34Å; V396-L452 HydrophobicContact CG1-CD1 3.51Å; V396-L452 HydrophobicContact CG1-CG 4.37Å
397	Y	88.7	Confident	89.7	Confident	26 Å²	26	52.9 Å²	52.9	10%	0.102	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	25.3	178.7	55.1	-114.7	0	0	0	112.4	G393 H394 E395 Y404 I422 V445	G393-Y397 WeakPolarHBondContact O-CD1 3.48Å; G393-Y397 WeakPolarHBondContact O-CE1 3.41Å; H394-Y397 PolarHBondContact CD2-OH 2.94Å; E395-Y397 PolarHBondContact O-N 3.28Å; E395-Y397 VanDerWaalsContact O-N 3.07Å; Y397-Y404 VanDerWaalsContact O-CD2 3.25Å; Y397-Y404 WeakPolarHBondContact O-CD2 3.42Å; Y397-I422 HydrophobicContact CD2-CB 4.19Å; Y397-I422 HydrophobicContact CD2-CD1 3.76Å; Y397-I422 HydrophobicContact CD2-CG1 4.33Å; Y397-I422 HydrophobicContact CE2-CB 4.42Å; Y397-I422 HydrophobicContact CG-CD1 3.98Å; Y397-V445 HydrophobicContact CD1-CG2 4.04Å; Y397-V445 HydrophobicContact CE1-CG2 4.46Å
398	Q	89.3	Confident	89.5	Confident	83 Å²	83	54.1 Å²	54.1	39%	0.388	29%	0.288	S	S	.	.	S	Bend	trans	-64.9	156.7	164.9	-72.4	-60.9	-34.9	0	0	110.8	H394 E395 G400 A401 Y404	H394-Q398 WeakPolarHBondContact O-CG 3.42Å; H394-Q398 PolarHBondContact O-NE2 3.23Å; E395-Q398 PolarHBondContact O-N 3.38Å; E395-Q398 VanDerWaalsContact O-N 3.11Å; Q398-G400 PolarHBondContact O-N 3.23Å; Q398-G400 VanDerWaalsContact O-N 3.15Å; Q398-A401 WeakPolarHBondContact O-CB 3.36Å; Q398-A401 PolarHBondContact O-N 3.43Å; Q398-Y404 WeakPolarHBondContact O-CB 3.3Å
399	P	86.9	Confident	89.3	Confident	62 Å²	62	60.1 Å²	60.1	40%	0.403	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	124.2	172.1	-27.1	36.2	0	0	0	111.2	Y404 K420 T421	P399-Y404 HydrophobicContact CG-CE2 4.28Å; P399-K420 WeakPolarHBondContact CG-O 3.36Å; P399-T421 HydrophobicContact CG-CG2 4.08Å
400	G	84.7	Confident	89.3	Confident	83 Å²	83	63.1 Å²	63.1	86%	0.856	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-8.4	-176.5	0	0	0	0	0	115.4	Q398	Q398-G400 PolarHBondContact O-N 3.23Å; Q398-G400 VanDerWaalsContact O-N 3.15Å
401	A	86.8	Confident	89.5	Confident	30 Å²	30	59.2 Å²	59.2	25%	0.248	31%	0.313	C	S	.	.	S	Bend	trans	-81	157.6	174.9	0	0	0	0	0	112.4	V396 Q398 C403 Y404	V396-A401 WeakPolarHBondContact O-CB 3.41Å; Q398-A401 WeakPolarHBondContact O-CB 3.36Å; Q398-A401 PolarHBondContact O-N 3.43Å; A401-C403 VanDerWaalsContact C-N 3.34Å; A401-C403 PolarHBondContact O-N 3.39Å; A401-Y404 WeakPolarHBondContact O-CB 3.27Å; A401-Y404 PolarHBondContact O-N 3.42Å; A401-Y404 VanDerWaalsContact O-N 3.11Å
402	H	82.5	Confident	89.6	Confident	118 Å²	118	54.2 Å²	54.2	55%	0.546	30%	0.297	S	S	.	.	H	α-helix	trans	-62.5	-35.1	-171.4	-170.2	-120	0	0	0	113.8	E448	H402-E448 IonicContact CE1-OE1 3.39Å; H402-E448 PolarHBondContact CE1-OE1 3.47Å; H402-E448 IonicContact CG-OE1 3.87Å; H402-E448 IonicContact ND1-OE1 4Å; H402-E448 PolarHBondContact ND1-OE1 3.26Å; H402-E448 IonicContact ND1-OE2 2.74Å
403	C	90.7	Very high	89.6	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.007	32%	0.32	C	S	.	.	H	α-helix	trans	-79.2	-18	178	-68.8	0	0	0	0	113.8	V396 A401 Q405 K406 V407 I444 E448	V396-C403 VanDerWaalsContact O-CB 3.25Å; V396-C403 WeakPolarHBondContact O-CB 3.43Å; V396-C403 PolarHBondContact O-N 3.27Å; A401-C403 VanDerWaalsContact C-N 3.34Å; A401-C403 PolarHBondContact O-N 3.39Å; C403-Q405 PolarHBondContact O-N 3.23Å; C403-K406 PolarHBondContact O-N 2.91Å; C403-V407 HydrophobicContact CB-CG2 4.22Å; C403-V407 VanDerWaalsContact O-CG2 3.29Å; C403-V407 WeakPolarHBondContact O-CG2 3.16Å; C403-V407 PolarHBondContact O-N 3.24Å; C403-I444 HydrophobicContact CB-CG2 3.95Å; C403-I444 PolarHBondContact SG-O 2.95Å; C403-I444 VanDerWaalsContact SG-O 3.37Å; C403-E448 WeakPolarHBondContact SG-CG 3.39Å
404	Y	92.3	Very high	89.8	Confident	28 Å²	28	62.4 Å²	62.4	11%	0.11	34%	0.342	C	S	.	.	H	α-helix	trans	-56.3	-48.7	-168.2	177.8	-103.9	0	0	0	112.3	Y397 Q398 P399 A401 L408 L416 K420 I422	Y397-Y404 VanDerWaalsContact O-CD2 3.25Å; Y397-Y404 WeakPolarHBondContact O-CD2 3.42Å; Q398-Y404 WeakPolarHBondContact O-CB 3.3Å; P399-Y404 HydrophobicContact CG-CE2 4.28Å; A401-Y404 WeakPolarHBondContact O-CB 3.27Å; A401-Y404 PolarHBondContact O-N 3.42Å; A401-Y404 VanDerWaalsContact O-N 3.11Å; Y404-L408 HydrophobicContact CD1-CD1 3.96Å; Y404-L408 HydrophobicContact CE1-CD1 3.44Å; Y404-L408 VanDerWaalsContact CE1-CD1 3.44Å; Y404-L408 HydrophobicContact CE2-CD1 4.13Å; Y404-L408 HydrophobicContact CG-CD1 4.48Å; Y404-L408 WeakPolarHBondContact O-CG 3.26Å; Y404-L408 PolarHBondContact O-N 3.04Å; Y404-L408 VanDerWaalsContact O-N 3.14Å; Y404-L416 HydrophobicContact CE2-CD2 3.88Å; Y404-L416 VanDerWaalsContact OH-CD2 3.27Å; Y404-L416 WeakPolarHBondContact OH-CD2 3.44Å; Y404-K420 WeakPolarHBondContact CE2-O 3.28Å; Y404-K420 PolarHBondContact OH-O 2.53Å; Y404-I422 HydrophobicContact CD2-CD1 4.09Å; Y404-I422 HydrophobicContact CD2-CG1 4.07Å; Y404-I422 HydrophobicContact CE2-CD1 4.42Å; Y404-I422 HydrophobicContact CE2-CG1 3.94Å
405	Q	91	Very high	90.1	Very high	137 Å²	137	59.1 Å²	59.1	64%	0.64	33%	0.327	S	S	*	.	H	α-helix	trans	-68.1	-43.7	178.7	-67.2	-140.4	-7.5	0	0	112.7	C403 V407 L408 E409	C403-Q405 PolarHBondContact O-N 3.23Å; Q405-V407 VanDerWaalsContact C-N 3.28Å; Q405-V407 PolarHBondContact O-N 3.39Å; Q405-L408 WeakPolarHBondContact O-CB 3.39Å; Q405-L408 PolarHBondContact O-N 2.89Å; Q405-E409 WeakPolarHBondContact O-CG 3.13Å; Q405-E409 PolarHBondContact O-N 3.18Å
406	K	92.4	Very high	90.3	Very high	89 Å²	89	56.5 Å²	56.5	39%	0.387	32%	0.316	S	S	.	.	H	α-helix	trans	-59.6	-39.6	178.1	-65.5	-179.9	-178.3	173.5	0	112.1	C403 E409 V410 I444	C403-K406 PolarHBondContact O-N 2.91Å; K406-E409 PolarHBondContact O-N 2.87Å; K406-V410 WeakPolarHBondContact O-CG2 3.23Å; K406-V410 PolarHBondContact O-N 3.18Å; K406-I444 HydrophobicContact CB-CD1 4.3Å; K406-I444 HydrophobicContact CB-CG2 3.92Å; K406-I444 HydrophobicContact CD-CG2 4.33Å
407	V	92.6	Very high	90.4	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-66.4	-40.3	176.3	175.6	0	0	0	0	110.5	C403 Q405 V410 F411 I415 I422 L427 L441 I444 V445	C403-V407 HydrophobicContact CB-CG2 4.22Å; C403-V407 VanDerWaalsContact O-CG2 3.29Å; C403-V407 WeakPolarHBondContact O-CG2 3.16Å; C403-V407 PolarHBondContact O-N 3.24Å; Q405-V407 VanDerWaalsContact C-N 3.28Å; Q405-V407 PolarHBondContact O-N 3.39Å; V407-V410 PolarHBondContact O-N 3.46Å; V407-F411 HydrophobicContact CG1-CD2 3.99Å; V407-F411 WeakPolarHBondContact O-CB 3.1Å; V407-F411 WeakPolarHBondContact O-CD2 3.31Å; V407-F411 PolarHBondContact O-N 3.39Å; V407-I415 HydrophobicContact CG1-CD1 3.77Å; V407-I422 HydrophobicContact CB-CD1 4.23Å; V407-I422 HydrophobicContact CG1-CD1 3.77Å; V407-L427 HydrophobicContact CG1-CD2 4.4Å; V407-L441 HydrophobicContact CG1-CD1 4.27Å; V407-L441 HydrophobicContact CG2-CD1 4.09Å; V407-I444 HydrophobicContact CG2-CG2 4.08Å; V407-V445 HydrophobicContact CG2-CG2 4.46Å
408	L	92.4	Very high	90.4	Very high	35 Å²	35	67.5 Å²	67.5	18%	0.183	37%	0.369	C	S	.	.	H	α-helix	trans	-67.3	-38.3	176.1	-70.7	172.3	0	0	0	113.4	Y404 Q405 V410 G412 I415 L416	Y404-L408 HydrophobicContact CD1-CD1 3.96Å; Y404-L408 HydrophobicContact CE1-CD1 3.44Å; Y404-L408 VanDerWaalsContact CE1-CD1 3.44Å; Y404-L408 HydrophobicContact CE2-CD1 4.13Å; Y404-L408 HydrophobicContact CG-CD1 4.48Å; Y404-L408 WeakPolarHBondContact O-CG 3.26Å; Y404-L408 PolarHBondContact O-N 3.04Å; Y404-L408 VanDerWaalsContact O-N 3.14Å; Q405-L408 WeakPolarHBondContact O-CB 3.39Å; Q405-L408 PolarHBondContact O-N 2.89Å; L408-V410 VanDerWaalsContact C-N 3.28Å; L408-V410 PolarHBondContact O-N 2.97Å; L408-G412 WeakPolarHBondContact O-CA 3.36Å; L408-G412 PolarHBondContact O-N 3.03Å; L408-I415 HydrophobicContact CD2-CD1 4Å; L408-I415 HydrophobicContact CD2-CG1 3.87Å; L408-L416 HydrophobicContact CD1-CD1 4.29Å; L408-L416 HydrophobicContact CD1-CD2 4.44Å; L408-L416 HydrophobicContact CD2-CD1 3.85Å; L408-L416 HydrophobicContact CD2-CD2 3.65Å; L408-L416 HydrophobicContact CD2-CG 3.63Å
409	E	91.9	Very high	90.5	Very high	147 Å²	147	68.7 Å²	68.7	69%	0.687	38%	0.378	S	S	*	.	H	α-helix	trans	-60.3	-39.5	175.9	-73.9	170.2	-174.7	0	0	111.7	Q405 K406	Q405-E409 WeakPolarHBondContact O-CG 3.13Å; Q405-E409 PolarHBondContact O-N 3.18Å; K406-E409 PolarHBondContact O-N 2.87Å
410	V	92.9	Very high	90.7	Very high	67 Å²	67	72.6 Å²	72.6	41%	0.406	39%	0.389	S	S	.	.	H	α-helix	trans	-83.2	-40	-177.2	175.1	0	0	0	0	112.8	K406 V407 L408 C440 I444	K406-V410 WeakPolarHBondContact O-CG2 3.23Å; K406-V410 PolarHBondContact O-N 3.18Å; V407-V410 PolarHBondContact O-N 3.46Å; L408-V410 VanDerWaalsContact C-N 3.28Å; L408-V410 PolarHBondContact O-N 2.97Å; V410-C440 HydrophobicContact CG1-CB 4.22Å; V410-I444 HydrophobicContact CG2-CD1 3.91Å
411	F	92.4	Very high	91	Very high	2 Å²	2	70.1 Å²	70.1	1%	0.009	36%	0.357	C	S	.	.	H	α-helix	trans	-108.3	-2	-170.1	-65.3	-78.4	0	0	0	114.2	V407 I415 L427 K430 V431 R437 C440 L441	V407-F411 HydrophobicContact CG1-CD2 3.99Å; V407-F411 WeakPolarHBondContact O-CB 3.1Å; V407-F411 WeakPolarHBondContact O-CD2 3.31Å; V407-F411 PolarHBondContact O-N 3.39Å; F411-I415 HydrophobicContact CB-CD1 3.93Å; F411-I415 HydrophobicContact CB-CG2 4.06Å; F411-L427 HydrophobicContact CB-CD1 4.15Å; F411-L427 HydrophobicContact CD1-CD1 4.05Å; F411-L427 HydrophobicContact CD2-CD1 4.01Å; F411-L427 HydrophobicContact CE1-CD1 4.5Å; F411-L427 HydrophobicContact CE2-CD1 4.46Å; F411-L427 HydrophobicContact CG-CD1 3.79Å; F411-K430 PolarHBondContact O-NZ 3.17Å; F411-V431 HydrophobicContact CD1-CG1 4.38Å; F411-V431 HydrophobicContact CE1-CG1 3.59Å; F411-V431 HydrophobicContact CZ-CG1 3.87Å; F411-R437 HydrophobicContact CE1-CB 4.18Å; F411-R437 HydrophobicContact CE1-CG 4.4Å; F411-R437 WeakPolarHBondContact CZ-O 3.35Å; F411-C440 HydrophobicContact CZ-CB 4.39Å; F411-L441 HydrophobicContact CE2-CB 3.88Å; F411-L441 HydrophobicContact CE2-CD1 3.97Å; F411-L441 HydrophobicContact CE2-CG 4.5Å; F411-L441 HydrophobicContact CZ-CB 3.76Å
412	G	91.9	Very high	91.2	Very high	20 Å²	20	69.2 Å²	69.2	21%	0.206	35%	0.348	C	S	.	.			trans	76.8	161.3	178.1	0	0	0	0	0	113.6	L408 E414 I415	L408-G412 WeakPolarHBondContact O-CA 3.36Å; L408-G412 PolarHBondContact O-N 3.03Å; G412-E414 WeakPolarHBondContact CA-OE2 3.44Å; G412-E414 PolarHBondContact O-N 3.11Å; G412-I415 WeakPolarHBondContact O-CG1 3.29Å; G412-I415 PolarHBondContact O-N 3.28Å
413	S	91	Very high	91.6	Very high	88 Å²	88	65.7 Å²	65.7	62%	0.615	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-70	-14.6	-178.4	51.8	0	0	0	0	114.3	I415 L416	S413-I415 PolarHBondContact O-N 3.3Å; S413-I415 VanDerWaalsContact O-N 3.13Å; S413-L416 VanDerWaalsContact O-CB 3.32Å; S413-L416 WeakPolarHBondContact O-CB 3.36Å; S413-L416 WeakPolarHBondContact O-CG 3.45Å; S413-L416 PolarHBondContact O-N 2.97Å
414	E	91.7	Very high	91.5	Very high	115 Å²	115	72.3 Å²	72.3	54%	0.537	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-64.7	-10.6	176.8	63.7	-90.2	-155.9	0	0	113.9	G412 L416 K430	G412-E414 WeakPolarHBondContact CA-OE2 3.44Å; G412-E414 PolarHBondContact O-N 3.11Å; E414-L416 VanDerWaalsContact C-N 3.25Å; E414-K430 IonicContact OE1-NZ 3.24Å; E414-K430 PolarHBondContact OE1-NZ 3.5Å
415	I	92.1	Very high	91.1	Very high	0 Å²	0	81.3 Å²	81.3	0%	0	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-82.7	-0	172.3	74.2	-176.8	0	0	0	112.7	V407 L408 F411 G412 S413 I422 N423 V426 L427 K430	V407-I415 HydrophobicContact CG1-CD1 3.77Å; L408-I415 HydrophobicContact CD2-CD1 4Å; L408-I415 HydrophobicContact CD2-CG1 3.87Å; F411-I415 HydrophobicContact CB-CD1 3.93Å; F411-I415 HydrophobicContact CB-CG2 4.06Å; G412-I415 WeakPolarHBondContact O-CG1 3.29Å; G412-I415 PolarHBondContact O-N 3.28Å; S413-I415 PolarHBondContact O-N 3.3Å; S413-I415 VanDerWaalsContact O-N 3.13Å; I415-I422 HydrophobicContact CD1-CD1 4.28Å; I415-I422 HydrophobicContact CD1-CG2 4.21Å; I415-I422 HydrophobicContact CG1-CG2 4.31Å; I415-N423 WeakPolarHBondContact O-CA 3.48Å; I415-N423 VanDerWaalsContact O-CB 3.23Å; I415-N423 WeakPolarHBondContact O-CB 3.46Å; I415-N423 PolarHBondContact O-N 2.98Å; I415-V426 HydrophobicContact CG2-CG1 4.32Å; I415-L427 HydrophobicContact CD1-CD1 4.32Å; I415-K430 HydrophobicContact CG2-CD 3.96Å
416	L	92.9	Very high	91.1	Very high	49 Å²	49	77 Å²	77	26%	0.257	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-87.7	144.9	-177.6	-65.2	177.6	0	0	0	112.3	Y404 L408 S413 E414 T421 I422	Y404-L416 HydrophobicContact CE2-CD2 3.88Å; Y404-L416 VanDerWaalsContact OH-CD2 3.27Å; Y404-L416 WeakPolarHBondContact OH-CD2 3.44Å; L408-L416 HydrophobicContact CD1-CD1 4.29Å; L408-L416 HydrophobicContact CD1-CD2 4.44Å; L408-L416 HydrophobicContact CD2-CD1 3.85Å; L408-L416 HydrophobicContact CD2-CD2 3.65Å; L408-L416 HydrophobicContact CD2-CG 3.63Å; S413-L416 VanDerWaalsContact O-CB 3.32Å; S413-L416 WeakPolarHBondContact O-CB 3.36Å; S413-L416 WeakPolarHBondContact O-CG 3.45Å; S413-L416 PolarHBondContact O-N 2.97Å; E414-L416 VanDerWaalsContact C-N 3.25Å; L416-T421 CarbonylContact C-O 3.59Å; L416-T421 WeakPolarHBondContact CA-O 3.29Å; L416-I422 HydrophobicContact CD2-CG1 4.15Å
417	N	91.1	Very high	90.9	Very high	59 Å²	59	73.1 Å²	73.1	32%	0.316	36%	0.358	S	S	.	.			trans	-77.8	170.8	162	-67.5	-40	0	0	0	110.3	D419 K420 T421 N423	N417-D419 WeakPolarHBondContact CB-OD1 3.46Å; N417-D419 PolarHBondContact O-N 2.96Å; N417-K420 PolarHBondContact O-N 3.29Å; N417-T421 PolarHBondContact N-O 3.06Å; N417-T421 PolarHBondContact ND2-OG1 2.73Å; N417-N423 WeakPolarHBondContact OD1-CB 3.28Å; N417-N423 PolarHBondContact OD1-ND2 3.37Å
418	E	89.8	Confident	90.5	Very high	205 Å²	205	74.3 Å²	74.3	96%	0.958	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-32.2	176.6	-63.8	-179.9	178.8	0	0	113	K420	E418-K420 PolarHBondContact O-N 3.08Å
419	D	90.8	Very high	90.2	Very high	107 Å²	107	76.9 Å²	76.9	57%	0.572	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	7.8	177.3	69.8	-5.8	0	0	0	113.8	N417 T421	N417-D419 WeakPolarHBondContact CB-OD1 3.46Å; N417-D419 PolarHBondContact O-N 2.96Å; D419-T421 VanDerWaalsContact CG-OG1 3.31Å; D419-T421 PolarHBondContact O-N 3.43Å; D419-T421 VanDerWaalsContact OD1-CB 3.31Å; D419-T421 WeakPolarHBondContact OD1-CB 3.2Å; D419-T421 WeakPolarHBondContact OD1-CG2 3.34Å; D419-T421 PolarHBondContact OD1-N 3.3Å; D419-T421 PolarHBondContact OD1-OG1 2.74Å; D419-T421 WeakPolarHBondContact OD2-CG2 3.33Å; D419-T421 PolarHBondContact OD2-OG1 3.37Å
420	K	90.4	Very high	89.9	Confident	145 Å²	145	71.7 Å²	71.7	63%	0.63	36%	0.364	S	S	*	.	S	Bend	trans	65.5	12.5	-174.8	-51.2	-179.2	178.4	179.4	0	114.7	P399 Y404 N417 E418	P399-K420 WeakPolarHBondContact CG-O 3.36Å; Y404-K420 WeakPolarHBondContact CE2-O 3.28Å; Y404-K420 PolarHBondContact OH-O 2.53Å; N417-K420 PolarHBondContact O-N 3.29Å; E418-K420 PolarHBondContact O-N 3.08Å
421	T	92.1	Very high	89.6	Confident	30 Å²	30	68.8 Å²	68.8	18%	0.184	35%	0.346	C	S	.	.			trans	-79.6	156.7	167.9	65.2	0	0	0	0	110.6	P399 L416 N417 D419 N423	P399-T421 HydrophobicContact CG-CG2 4.08Å; L416-T421 CarbonylContact C-O 3.59Å; L416-T421 WeakPolarHBondContact CA-O 3.29Å; N417-T421 PolarHBondContact N-O 3.06Å; N417-T421 PolarHBondContact ND2-OG1 2.73Å; D419-T421 VanDerWaalsContact CG-OG1 3.31Å; D419-T421 PolarHBondContact O-N 3.43Å; D419-T421 VanDerWaalsContact OD1-CB 3.31Å; D419-T421 WeakPolarHBondContact OD1-CB 3.2Å; D419-T421 WeakPolarHBondContact OD1-CG2 3.34Å; D419-T421 PolarHBondContact OD1-N 3.3Å; D419-T421 PolarHBondContact OD1-OG1 2.74Å; D419-T421 WeakPolarHBondContact OD2-CG2 3.33Å; D419-T421 PolarHBondContact OD2-OG1 3.37Å; T421-N423 PolarHBondContact O-N 3Å
422	I	90.6	Very high	88.7	Confident	12 Å²	12	75.1 Å²	75.1	6%	0.062	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-73.1	122.8	176.5	-63.8	-174	0	0	0	110.5	Y397 Y404 V407 I415 L416 R424 L427	Y397-I422 HydrophobicContact CD2-CB 4.19Å; Y397-I422 HydrophobicContact CD2-CD1 3.76Å; Y397-I422 HydrophobicContact CD2-CG1 4.33Å; Y397-I422 HydrophobicContact CE2-CB 4.42Å; Y397-I422 HydrophobicContact CG-CD1 3.98Å; Y404-I422 HydrophobicContact CD2-CD1 4.09Å; Y404-I422 HydrophobicContact CD2-CG1 4.07Å; Y404-I422 HydrophobicContact CE2-CD1 4.42Å; Y404-I422 HydrophobicContact CE2-CG1 3.94Å; V407-I422 HydrophobicContact CB-CD1 4.23Å; V407-I422 HydrophobicContact CG1-CD1 3.77Å; I415-I422 HydrophobicContact CD1-CD1 4.28Å; I415-I422 HydrophobicContact CD1-CG2 4.21Å; I415-I422 HydrophobicContact CG1-CG2 4.31Å; L416-I422 HydrophobicContact CD2-CG1 4.15Å; I422-R424 PolarHBondContact O-N 2.84Å; I422-L427 HydrophobicContact CG2-CB 4.24Å; I422-L427 HydrophobicContact CG2-CD2 3.94Å
423	N	90.7	Very high	87.8	Confident	44 Å²	44	78.7 Å²	78.7	24%	0.235	41%	0.411	C	S	.	.			trans	-70.3	95.8	168.6	-168.2	-40.2	0	0	0	110.4	I415 N417 T421 R425 V426 L427	I415-N423 WeakPolarHBondContact O-CA 3.48Å; I415-N423 VanDerWaalsContact O-CB 3.23Å; I415-N423 WeakPolarHBondContact O-CB 3.46Å; I415-N423 PolarHBondContact O-N 2.98Å; N417-N423 WeakPolarHBondContact OD1-CB 3.28Å; N417-N423 PolarHBondContact OD1-ND2 3.37Å; T421-N423 PolarHBondContact O-N 3Å; N423-R425 PolarHBondContact O-N 3.22Å; N423-R425 WeakPolarHBondContact OD1-CB 3.15Å; N423-R425 PolarHBondContact OD1-N 2.9Å; N423-V426 HydrophobicContact CB-CB 4.12Å; N423-V426 HydrophobicContact CB-CG2 4.07Å; N423-V426 PolarHBondContact O-N 3.3Å; N423-V426 VanDerWaalsContact O-N 3.12Å; N423-V426 PolarHBondContact OD1-N 3.43Å; N423-V426 VanDerWaalsContact OD1-N 3.16Å; N423-L427 PolarHBondContact O-N 2.72Å
424	R	87.7	Confident	87.4	Confident	139 Å²	139	77.7 Å²	77.7	53%	0.525	40%	0.399	S	S	.	.	H	α-helix	trans	-57.3	-31.7	179.9	-67.5	-179.7	-71.3	178.5	-4	113.6	H394 I422 A428	H394-R424 PolarHBondContact CD2-NH1 2.9Å; H394-R424 PolarHBondContact CE1-NH1 2.72Å; H394-R424 PolarHBondContact ND1-NH1 3.11Å; H394-R424 PolarHBondContact NE2-NH1 3.32Å; I422-R424 PolarHBondContact O-N 2.84Å; R424-A428 WeakPolarHBondContact O-CB 3.38Å; R424-A428 PolarHBondContact O-N 2.69Å
425	R	85.6	Confident	87.1	Confident	218 Å²	218	80.5 Å²	80.5	82%	0.823	41%	0.412	S	S	*	.	H	α-helix	trans	-70	-40.4	178.4	-70.2	-177.9	178.6	155.8	-1.3	111.3	N423 S429	N423-R425 PolarHBondContact O-N 3.22Å; N423-R425 WeakPolarHBondContact OD1-CB 3.15Å; N423-R425 PolarHBondContact OD1-N 2.9Å; R425-S429 PolarHBondContact O-N 3.32Å
426	V	89.4	Confident	86.9	Confident	47 Å²	47	83.7 Å²	83.7	29%	0.285	44%	0.438	S	S	.	.	H	α-helix	trans	-72.1	-40.5	176.8	179.2	0	0	0	0	111.1	I415 N423 S429 K430	I415-V426 HydrophobicContact CG2-CG1 4.32Å; N423-V426 HydrophobicContact CB-CB 4.12Å; N423-V426 HydrophobicContact CB-CG2 4.07Å; N423-V426 PolarHBondContact O-N 3.3Å; N423-V426 VanDerWaalsContact O-N 3.12Å; N423-V426 PolarHBondContact OD1-N 3.43Å; N423-V426 VanDerWaalsContact OD1-N 3.16Å; V426-S429 PolarHBondContact O-N 2.9Å; V426-S429 PolarHBondContact O-OG 3.19Å; V426-K430 WeakPolarHBondContact O-CG 3.42Å; V426-K430 PolarHBondContact O-N 3.46Å
427	L	89.2	Confident	86.8	Confident	6 Å²	6	86.5 Å²	86.5	3%	0.031	45%	0.445	C	S	.	.	H	α-helix	trans	-62.7	-45.7	173.7	-178.2	60.8	0	0	0	110.9	V407 F411 I415 I422 N423 S429 K430 V431 L441	V407-L427 HydrophobicContact CG1-CD2 4.4Å; F411-L427 HydrophobicContact CB-CD1 4.15Å; F411-L427 HydrophobicContact CD1-CD1 4.05Å; F411-L427 HydrophobicContact CD2-CD1 4.01Å; F411-L427 HydrophobicContact CE1-CD1 4.5Å; F411-L427 HydrophobicContact CE2-CD1 4.46Å; F411-L427 HydrophobicContact CG-CD1 3.79Å; I415-L427 HydrophobicContact CD1-CD1 4.32Å; I422-L427 HydrophobicContact CG2-CB 4.24Å; I422-L427 HydrophobicContact CG2-CD2 3.94Å; N423-L427 PolarHBondContact O-N 2.72Å; L427-S429 PolarHBondContact O-N 2.94Å; L427-K430 WeakPolarHBondContact O-CB 3.3Å; L427-K430 PolarHBondContact O-N 2.77Å; L427-K430 VanDerWaalsContact O-N 3.12Å; L427-V431 HydrophobicContact CD1-CG1 4.28Å; L427-V431 WeakPolarHBondContact O-CG2 3.48Å; L427-V431 PolarHBondContact O-N 2.93Å; L427-V431 VanDerWaalsContact O-N 3.14Å; L427-L441 HydrophobicContact CD1-CD2 4.48Å; L427-L441 HydrophobicContact CD2-CD1 4.16Å; L427-L441 HydrophobicContact CD2-CD2 4.04Å; L427-L441 HydrophobicContact CG-CD2 4.23Å
428	A	84.2	Confident	86.7	Confident	25 Å²	25	86.5 Å²	86.5	21%	0.207	45%	0.445	C	S	.	.	H	α-helix	trans	-54.8	-48.5	175.3	0	0	0	0	0	112	R424 K430 V431 F432	R424-A428 WeakPolarHBondContact O-CB 3.38Å; R424-A428 PolarHBondContact O-N 2.69Å; A428-K430 PolarHBondContact O-N 2.94Å; A428-V431 PolarHBondContact O-N 3.49Å; A428-F432 HydrophobicContact CB-CD2 3.59Å; A428-F432 HydrophobicContact CB-CE2 3.55Å; A428-F432 WeakPolarHBondContact O-CB 3.4Å; A428-F432 WeakPolarHBondContact O-CD2 3.16Å; A428-F432 PolarHBondContact O-N 2.93Å
429	S	85.8	Confident	86.7	Confident	89 Å²	89	82.9 Å²	82.9	62%	0.622	43%	0.426	S	S	*	.	H	α-helix	trans	-64.6	-23.3	179.9	68	0	0	0	0	113.6	R425 V426 L427	R425-S429 PolarHBondContact O-N 3.32Å; V426-S429 PolarHBondContact O-N 2.9Å; V426-S429 PolarHBondContact O-OG 3.19Å; L427-S429 PolarHBondContact O-N 2.94Å
430	K	86	Confident	86.8	Confident	38 Å²	38	80.6 Å²	80.6	17%	0.165	42%	0.418	C	S	.	.	H	α-helix	trans	-81.9	-29.5	174.8	-71.6	-176.3	172	-157.7	0	114	F411 E414 I415 V426 L427 A428 R437	F411-K430 PolarHBondContact O-NZ 3.17Å; E414-K430 IonicContact OE1-NZ 3.24Å; E414-K430 PolarHBondContact OE1-NZ 3.5Å; I415-K430 HydrophobicContact CG2-CD 3.96Å; V426-K430 WeakPolarHBondContact O-CG 3.42Å; V426-K430 PolarHBondContact O-N 3.46Å; L427-K430 WeakPolarHBondContact O-CB 3.3Å; L427-K430 PolarHBondContact O-N 2.77Å; L427-K430 VanDerWaalsContact O-N 3.12Å; A428-K430 PolarHBondContact O-N 2.94Å; K430-R437 VanDerWaalsContact O-CD 3.22Å; K430-R437 WeakPolarHBondContact O-CD 3.2Å
431	V	85.6	Confident	86.9	Confident	6 Å²	6	74.8 Å²	74.8	4%	0.036	39%	0.394	C	S	.	.	H	α-helix	trans	-100.1	-34.7	-175.5	-59.2	0	0	0	0	113.3	F411 L427 A428 N434 R437 L438 L441	F411-V431 HydrophobicContact CD1-CG1 4.38Å; F411-V431 HydrophobicContact CE1-CG1 3.59Å; F411-V431 HydrophobicContact CZ-CG1 3.87Å; L427-V431 HydrophobicContact CD1-CG1 4.28Å; L427-V431 WeakPolarHBondContact O-CG2 3.48Å; L427-V431 PolarHBondContact O-N 2.93Å; L427-V431 VanDerWaalsContact O-N 3.14Å; A428-V431 PolarHBondContact O-N 3.49Å; V431-N434 PolarHBondContact O-N 2.73Å; V431-R437 HydrophobicContact CG1-CB 4.44Å; V431-L438 HydrophobicContact CB-CB 4.44Å; V431-L438 HydrophobicContact CB-CD1 4.28Å; V431-L438 HydrophobicContact CG2-CD1 4.25Å; V431-L441 HydrophobicContact CG1-CB 4.27Å; V431-L441 HydrophobicContact CG1-CD2 4Å; V431-L441 HydrophobicContact CG2-CD2 4.3Å
432	F	74.3	Confident	86.9	Confident	136 Å²	136	74.2 Å²	74.2	60%	0.596	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	134.1	177.7	-72	-60.7	0	0	0	110.5	A428 N434	A428-F432 HydrophobicContact CB-CD2 3.59Å; A428-F432 HydrophobicContact CB-CE2 3.55Å; A428-F432 WeakPolarHBondContact O-CB 3.4Å; A428-F432 WeakPolarHBondContact O-CD2 3.16Å; A428-F432 PolarHBondContact O-N 2.93Å; F432-N434 VanDerWaalsContact C-N 3.28Å; F432-N434 PolarHBondContact O-N 2.89Å
433	G	72.5	Confident	87	Confident	94 Å²	94	78 Å²	78	97%	0.969	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-4.9	-173.2	0	0	0	0	0	114.8
434	N	83.8	Confident	87.1	Confident	68 Å²	68	77.5 Å²	77.5	36%	0.364	41%	0.407	S	S	.	.			trans	-127.4	98.7	176.8	-172.8	-39.9	0	0	0	111.3	V431 F432 A436 R437 L438	V431-N434 PolarHBondContact O-N 2.73Å; F432-N434 VanDerWaalsContact C-N 3.28Å; F432-N434 PolarHBondContact O-N 2.89Å; N434-A436 VanDerWaalsContact C-N 3.3Å; N434-A436 PolarHBondContact O-N 2.85Å; N434-A436 PolarHBondContact OD1-N 3.12Å; N434-R437 HydrophobicContact CB-CB 4.08Å; N434-R437 HydrophobicContact CB-CG 4.48Å; N434-R437 PolarHBondContact O-N 3.38Å; N434-R437 PolarHBondContact OD1-N 3.45Å; N434-L438 PolarHBondContact O-N 2.77Å
435	Q	83.7	Confident	87.3	Confident	174 Å²	174	71.4 Å²	71.4	81%	0.813	39%	0.386	S	S	*	.	H	α-helix	trans	-58.8	-37.1	-177.1	-71.9	-176.7	-3.2	0	0	113.5	K439	Q435-K439 WeakPolarHBondContact O-CB 3.35Å; Q435-K439 PolarHBondContact O-N 3.08Å
436	A	89.5	Confident	87.7	Confident	67 Å²	67	63.9 Å²	63.9	55%	0.554	36%	0.357	S	S	*	.	H	α-helix	trans	-66.7	-44.2	179.4	0	0	0	0	0	111.4	N434 K439 C440	N434-A436 VanDerWaalsContact C-N 3.3Å; N434-A436 PolarHBondContact O-N 2.85Å; N434-A436 PolarHBondContact OD1-N 3.12Å; A436-K439 PolarHBondContact O-N 3.32Å; A436-C440 PolarHBondContact O-N 3.19Å; A436-C440 PolarHBondContact O-SG 2.85Å
437	R	90.9	Very high	87.9	Confident	107 Å²	107	64.9 Å²	64.9	40%	0.404	37%	0.365	S	S	.	.	H	α-helix	trans	-68	-41.3	176.6	-78.8	-165.7	141.3	156	-2.5	112.9	F411 K430 V431 N434 K439 C440 L441	F411-R437 HydrophobicContact CE1-CB 4.18Å; F411-R437 HydrophobicContact CE1-CG 4.4Å; F411-R437 WeakPolarHBondContact CZ-O 3.35Å; K430-R437 VanDerWaalsContact O-CD 3.22Å; K430-R437 WeakPolarHBondContact O-CD 3.2Å; V431-R437 HydrophobicContact CG1-CB 4.44Å; N434-R437 HydrophobicContact CB-CB 4.08Å; N434-R437 HydrophobicContact CB-CG 4.48Å; N434-R437 PolarHBondContact O-N 3.38Å; N434-R437 PolarHBondContact OD1-N 3.45Å; R437-K439 VanDerWaalsContact C-N 3.28Å; R437-K439 PolarHBondContact O-N 3.12Å; R437-C440 PolarHBondContact O-N 2.64Å; R437-L441 PolarHBondContact O-N 2.86Å; R437-L441 VanDerWaalsContact O-N 3.1Å
438	L	88.1	Confident	88.1	Confident	60 Å²	60	66.6 Å²	66.6	31%	0.314	37%	0.373	S	S	.	.	H	α-helix	trans	-58.2	-45.4	174.1	-177.8	62.3	0	0	0	110.5	V431 N434 C440 L441 T442	V431-L438 HydrophobicContact CB-CB 4.44Å; V431-L438 HydrophobicContact CB-CD1 4.28Å; V431-L438 HydrophobicContact CG2-CD1 4.25Å; N434-L438 PolarHBondContact O-N 2.77Å; L438-C440 PolarHBondContact O-N 3.09Å; L438-L441 PolarHBondContact O-N 3.3Å; L438-T442 HydrophobicContact CD1-CG2 4.34Å; L438-T442 HydrophobicContact CG-CG2 4.49Å; L438-T442 WeakPolarHBondContact O-CG2 3.3Å; L438-T442 PolarHBondContact O-N 3.47Å; L438-T442 PolarHBondContact O-OG1 3.47Å
439	K	89.9	Confident	88.6	Confident	129 Å²	129	65.8 Å²	65.8	56%	0.561	37%	0.365	S	S	*	.	H	α-helix	trans	-59.3	-46.3	176.7	-172.1	179.4	177.1	-174.8	0	112.3	Q435 A436 R437 L441 T442 D443	Q435-K439 WeakPolarHBondContact O-CB 3.35Å; Q435-K439 PolarHBondContact O-N 3.08Å; A436-K439 PolarHBondContact O-N 3.32Å; R437-K439 VanDerWaalsContact C-N 3.28Å; R437-K439 PolarHBondContact O-N 3.12Å; K439-L441 VanDerWaalsContact C-N 3.28Å; K439-L441 PolarHBondContact O-N 3Å; K439-T442 VanDerWaalsContact CA-OG1 3.32Å; K439-T442 WeakPolarHBondContact CA-OG1 3.44Å; K439-T442 PolarHBondContact O-N 2.84Å; K439-T442 PolarHBondContact O-OG1 3.14Å; K439-D443 WeakPolarHBondContact O-CB 3.43Å; K439-D443 PolarHBondContact O-N 3.26Å
440	C	92.8	Very high	89	Confident	59 Å²	59	62.2 Å²	62.2	40%	0.399	34%	0.341	S	S	.	.	H	α-helix	trans	-57.8	-41.5	176.6	-66.8	0	0	0	0	112.3	V410 F411 A436 R437 L438 I444	V410-C440 HydrophobicContact CG1-CB 4.22Å; F411-C440 HydrophobicContact CZ-CB 4.39Å; A436-C440 PolarHBondContact O-N 3.19Å; A436-C440 PolarHBondContact O-SG 2.85Å; R437-C440 PolarHBondContact O-N 2.64Å; L438-C440 PolarHBondContact O-N 3.09Å; C440-I444 WeakPolarHBondContact O-CD1 3.43Å; C440-I444 WeakPolarHBondContact O-CG1 3.3Å; C440-I444 PolarHBondContact O-N 3.02Å
441	L	91.9	Very high	89.4	Confident	22 Å²	22	64 Å²	64	12%	0.115	35%	0.351	C	S	.	.	H	α-helix	trans	-64.9	-47	176.7	-179.4	62.7	0	0	0	111.1	V407 F411 L427 V431 R437 L438 K439 I444 V445	V407-L441 HydrophobicContact CG1-CD1 4.27Å; V407-L441 HydrophobicContact CG2-CD1 4.09Å; F411-L441 HydrophobicContact CE2-CB 3.88Å; F411-L441 HydrophobicContact CE2-CD1 3.97Å; F411-L441 HydrophobicContact CE2-CG 4.5Å; F411-L441 HydrophobicContact CZ-CB 3.76Å; L427-L441 HydrophobicContact CD1-CD2 4.48Å; L427-L441 HydrophobicContact CD2-CD1 4.16Å; L427-L441 HydrophobicContact CD2-CD2 4.04Å; L427-L441 HydrophobicContact CG-CD2 4.23Å; V431-L441 HydrophobicContact CG1-CB 4.27Å; V431-L441 HydrophobicContact CG1-CD2 4Å; V431-L441 HydrophobicContact CG2-CD2 4.3Å; R437-L441 PolarHBondContact O-N 2.86Å; R437-L441 VanDerWaalsContact O-N 3.1Å; L438-L441 PolarHBondContact O-N 3.3Å; K439-L441 VanDerWaalsContact C-N 3.28Å; K439-L441 PolarHBondContact O-N 3Å; L441-I444 PolarHBondContact O-N 3.12Å; L441-V445 HydrophobicContact CD1-CG2 3.85Å; L441-V445 HydrophobicContact CG-CG2 4.34Å; L441-V445 WeakPolarHBondContact O-CB 3.43Å; L441-V445 WeakPolarHBondContact O-CG2 3.41Å; L441-V445 PolarHBondContact O-N 3.22Å
442	T	91.9	Very high	89.8	Confident	19 Å²	19	65.7 Å²	65.7	12%	0.117	36%	0.36	C	S	.	.	H	α-helix	trans	-67.7	-36.1	-177.3	54	0	0	0	0	112.5	L438 K439 I444 V445 W446	L438-T442 HydrophobicContact CD1-CG2 4.34Å; L438-T442 HydrophobicContact CG-CG2 4.49Å; L438-T442 WeakPolarHBondContact O-CG2 3.3Å; L438-T442 PolarHBondContact O-N 3.47Å; L438-T442 PolarHBondContact O-OG1 3.47Å; K439-T442 VanDerWaalsContact CA-OG1 3.32Å; K439-T442 WeakPolarHBondContact CA-OG1 3.44Å; K439-T442 PolarHBondContact O-N 2.84Å; K439-T442 PolarHBondContact O-OG1 3.14Å; T442-I444 PolarHBondContact O-N 3.4Å; T442-V445 PolarHBondContact O-N 3.07Å; T442-W446 VanDerWaalsContact CB-CE2 3.49Å; T442-W446 HydrophobicContact CG2-CD2 4.17Å; T442-W446 VanDerWaalsContact CG2-CE2 3.49Å; T442-W446 HydrophobicContact CG2-CH2 4.06Å; T442-W446 HydrophobicContact CG2-CZ2 3.44Å; T442-W446 VanDerWaalsContact CG2-CZ2 3.44Å; T442-W446 VanDerWaalsContact O-CB 3.27Å; T442-W446 WeakPolarHBondContact O-CB 3.43Å; T442-W446 PolarHBondContact O-N 3.3Å
443	D	93.3	Very high	90.9	Very high	92 Å²	92	59.3 Å²	59.3	49%	0.492	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-29.1	176.8	-71.9	-9.2	0	0	0	111.8	K439 P447	K439-D443 WeakPolarHBondContact O-CB 3.43Å; K439-D443 PolarHBondContact O-N 3.26Å; D443-P447 WeakPolarHBondContact O-CD 3.27Å; D443-P447 WeakPolarHBondContact O-CG 3.44Å
444	I	92.5	Very high	91.9	Very high	32 Å²	32	60.6 Å²	60.6	16%	0.164	31%	0.311	C	S	.	.	H	α-helix	trans	-80.5	-47.3	174	-65.2	166.4	0	0	0	110.8	C403 K406 V407 V410 C440 L441 T442	C403-I444 HydrophobicContact CB-CG2 3.95Å; C403-I444 PolarHBondContact SG-O 2.95Å; C403-I444 VanDerWaalsContact SG-O 3.37Å; K406-I444 HydrophobicContact CB-CD1 4.3Å; K406-I444 HydrophobicContact CB-CG2 3.92Å; K406-I444 HydrophobicContact CD-CG2 4.33Å; V407-I444 HydrophobicContact CG2-CG2 4.08Å; V410-I444 HydrophobicContact CG2-CD1 3.91Å; C440-I444 WeakPolarHBondContact O-CD1 3.43Å; C440-I444 WeakPolarHBondContact O-CG1 3.3Å; C440-I444 PolarHBondContact O-N 3.02Å; L441-I444 PolarHBondContact O-N 3.12Å; T442-I444 PolarHBondContact O-N 3.4Å
445	V	92.9	Very high	92.4	Very high	12 Å²	12	62.6 Å²	62.6	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-83.7	-40.8	-165.5	165.3	0	0	0	0	113.1	V396 Y397 V407 L441 T442 E448 I449	V396-V445 HydrophobicContact CG2-CG1 3.77Å; V396-V445 HydrophobicContact CG2-CG2 4.38Å; Y397-V445 HydrophobicContact CD1-CG2 4.04Å; Y397-V445 HydrophobicContact CE1-CG2 4.46Å; V407-V445 HydrophobicContact CG2-CG2 4.46Å; L441-V445 HydrophobicContact CD1-CG2 3.85Å; L441-V445 HydrophobicContact CG-CG2 4.34Å; L441-V445 WeakPolarHBondContact O-CB 3.43Å; L441-V445 WeakPolarHBondContact O-CG2 3.41Å; L441-V445 PolarHBondContact O-N 3.22Å; T442-V445 PolarHBondContact O-N 3.07Å; V445-E448 PolarHBondContact O-N 2.73Å; V445-I449 HydrophobicContact CG1-CD1 3.47Å; V445-I449 VanDerWaalsContact CG1-CD1 3.47Å; V445-I449 HydrophobicContact CG1-CG1 3.99Å; V445-I449 WeakPolarHBondContact O-CG1 3.31Å; V445-I449 PolarHBondContact O-N 2.95Å
446	W	94.1	Very high	93	Very high	59 Å²	59	55.4 Å²	55.4	22%	0.223	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-40.7	-173.6	-70.8	-12.4	0	0	0	114.7	T442 E448 I449 A450 V474 E477 A478 W480	T442-W446 VanDerWaalsContact CB-CE2 3.49Å; T442-W446 HydrophobicContact CG2-CD2 4.17Å; T442-W446 VanDerWaalsContact CG2-CE2 3.49Å; T442-W446 HydrophobicContact CG2-CH2 4.06Å; T442-W446 HydrophobicContact CG2-CZ2 3.44Å; T442-W446 VanDerWaalsContact CG2-CZ2 3.44Å; T442-W446 VanDerWaalsContact O-CB 3.27Å; T442-W446 WeakPolarHBondContact O-CB 3.43Å; T442-W446 PolarHBondContact O-N 3.3Å; W446-E448 VanDerWaalsContact C-N 3.3Å; W446-E448 PolarHBondContact O-N 3Å; W446-I449 PolarHBondContact O-N 3.34Å; W446-A450 PolarHBondContact O-N 3.49Å; W446-V474 HydrophobicContact CZ2-CB 4.2Å; W446-V474 HydrophobicContact CZ2-CG2 4.13Å; W446-E477 HydrophobicContact CH2-CB 4.36Å; W446-A478 HydrophobicContact CD2-CB 3.64Å; W446-A478 HydrophobicContact CE3-CB 3.65Å; W446-A478 HydrophobicContact CG-CB 4.14Å; W446-A478 HydrophobicContact CH2-CB 4.3Å; W446-A478 HydrophobicContact CZ2-CB 4.3Å; W446-A478 HydrophobicContact CZ3-CB 3.99Å; W446-W480 HydrophobicContact CB-CZ2 3.79Å; W446-W480 AromaticContact CD1-CZ2 3.97Å; W446-W480 AromaticContact CG-CZ2 3.94Å; W446-W480 HydrophobicContact CG-CZ2 3.94Å; W446-W480 WeakPolarHBondContact O-CZ2 3.46Å
447	P	93.6	Very high	93.2	Very high	69 Å²	69	52.9 Å²	52.9	45%	0.448	27%	0.266	S	S	.	.	H	α-helix	trans	-59.2	-40.3	175.5	-25.7	36.1	0	0	0	112.8	D443 A450 I451	D443-P447 WeakPolarHBondContact O-CD 3.27Å; D443-P447 WeakPolarHBondContact O-CG 3.44Å; P447-A450 WeakPolarHBondContact O-CB 3.35Å; P447-A450 PolarHBondContact O-N 2.93Å; P447-I451 WeakPolarHBondContact O-CG1 2.97Å; P447-I451 PolarHBondContact O-N 3.12Å
448	E	93.8	Very high	93.4	Very high	41 Å²	41	51.2 Å²	51.2	19%	0.192	27%	0.265	C	S	.	.	H	α-helix	trans	-70.4	-39.5	178.1	-65.1	-55	154.2	0	0	112.2	V396 H402 C403 V445 W446 A450 I451 L452	V396-E448 HydrophobicContact CB-CB 4.22Å; V396-E448 HydrophobicContact CG1-CB 3.81Å; H402-E448 IonicContact CE1-OE1 3.39Å; H402-E448 PolarHBondContact CE1-OE1 3.47Å; H402-E448 IonicContact CG-OE1 3.87Å; H402-E448 IonicContact ND1-OE1 4Å; H402-E448 PolarHBondContact ND1-OE1 3.26Å; H402-E448 IonicContact ND1-OE2 2.74Å; C403-E448 WeakPolarHBondContact SG-CG 3.39Å; V445-E448 PolarHBondContact O-N 2.73Å; W446-E448 VanDerWaalsContact C-N 3.3Å; W446-E448 PolarHBondContact O-N 3Å; E448-A450 VanDerWaalsContact C-N 3.28Å; E448-A450 PolarHBondContact O-N 2.84Å; E448-I451 WeakPolarHBondContact O-CB 3.45Å; E448-I451 PolarHBondContact O-N 3.22Å; E448-I451 VanDerWaalsContact O-N 3.14Å; E448-L452 PolarHBondContact O-N 3.46Å
449	I	94.5	Very high	93.7	Very high	9 Å²	9	54.8 Å²	54.8	5%	0.046	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-42.9	173.5	-63.6	171.7	0	0	0	110.1	C389 L392 V396 V445 W446 I451 L452 V453 W480	C389-I449 HydrophobicContact CB-CG2 4.3Å; L392-I449 HydrophobicContact CB-CG2 4.33Å; V396-I449 HydrophobicContact CG1-CG1 3.86Å; V396-I449 HydrophobicContact CG2-CG1 4.34Å; V445-I449 HydrophobicContact CG1-CD1 3.47Å; V445-I449 VanDerWaalsContact CG1-CD1 3.47Å; V445-I449 HydrophobicContact CG1-CG1 3.99Å; V445-I449 WeakPolarHBondContact O-CG1 3.31Å; V445-I449 PolarHBondContact O-N 2.95Å; W446-I449 PolarHBondContact O-N 3.34Å; I449-I451 VanDerWaalsContact C-N 3.26Å; I449-I451 PolarHBondContact O-N 2.8Å; I449-L452 PolarHBondContact O-N 3.37Å; I449-L452 VanDerWaalsContact O-N 3.15Å; I449-V453 HydrophobicContact CG2-CG2 4.13Å; I449-V453 VanDerWaalsContact O-CG2 3.32Å; I449-V453 WeakPolarHBondContact O-CG2 3.39Å; I449-V453 PolarHBondContact O-N 3.44Å; I449-W480 HydrophobicContact CB-CH2 3.82Å; I449-W480 HydrophobicContact CB-CZ2 3.96Å; I449-W480 HydrophobicContact CD1-CH2 4.14Å; I449-W480 HydrophobicContact CG2-CH2 3.43Å; I449-W480 VanDerWaalsContact CG2-CH2 3.43Å; I449-W480 HydrophobicContact CG2-CZ2 4Å; I449-W480 HydrophobicContact CG2-CZ3 4.05Å
450	A	94.3	Very high	93.9	Very high	13 Å²	13	49 Å²	49	11%	0.107	26%	0.256	C	S	.	.	H	α-helix	trans	-60.1	-35.8	177.7	0	0	0	0	0	112.5	W446 P447 E448 K454 L483	W446-A450 PolarHBondContact O-N 3.49Å; P447-A450 WeakPolarHBondContact O-CB 3.35Å; P447-A450 PolarHBondContact O-N 2.93Å; E448-A450 VanDerWaalsContact C-N 3.28Å; E448-A450 PolarHBondContact O-N 2.84Å; A450-K454 WeakPolarHBondContact O-CG 3.35Å; A450-K454 PolarHBondContact O-N 3.04Å; A450-K454 VanDerWaalsContact O-N 3.08Å; A450-L483 HydrophobicContact CB-CD1 3.77Å
451	I	94.1	Very high	93.9	Very high	75 Å²	75	52 Å²	52	39%	0.385	26%	0.259	S	S	.	.	H	α-helix	trans	-65.4	-48.3	173.8	-67.2	166.6	0	0	0	110.4	P447 E448 I449 V453 K454 Q455	P447-I451 WeakPolarHBondContact O-CG1 2.97Å; P447-I451 PolarHBondContact O-N 3.12Å; E448-I451 WeakPolarHBondContact O-CB 3.45Å; E448-I451 PolarHBondContact O-N 3.22Å; E448-I451 VanDerWaalsContact O-N 3.14Å; I449-I451 VanDerWaalsContact C-N 3.26Å; I449-I451 PolarHBondContact O-N 2.8Å; I451-V453 VanDerWaalsContact C-N 3.31Å; I451-V453 PolarHBondContact O-N 3.05Å; I451-K454 WeakPolarHBondContact O-CB 3.33Å; I451-K454 PolarHBondContact O-N 2.85Å; I451-Q455 WeakPolarHBondContact O-CG 3.35Å; I451-Q455 PolarHBondContact O-N 3.06Å
452	L	94.4	Very high	93.9	Very high	42 Å²	42	59.7 Å²	59.7	22%	0.22	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-39.1	177.9	-66	-176	0	0	0	112.2	L392 V396 E448 I449 Q455 A456	L392-L452 HydrophobicContact CB-CD1 4.31Å; L392-L452 HydrophobicContact CD1-CB 4.09Å; L392-L452 HydrophobicContact CD2-CB 4.27Å; L392-L452 HydrophobicContact CD2-CD1 4.33Å; V396-L452 HydrophobicContact CG1-CD1 3.51Å; V396-L452 HydrophobicContact CG1-CG 4.37Å; E448-L452 PolarHBondContact O-N 3.46Å; I449-L452 PolarHBondContact O-N 3.37Å; I449-L452 VanDerWaalsContact O-N 3.15Å; L452-Q455 PolarHBondContact O-N 3.48Å; L452-A456 WeakPolarHBondContact O-CB 3.1Å; L452-A456 PolarHBondContact O-N 3.16Å
453	V	95.6	Very high	93.8	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.012	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-47.6	174.2	169.6	0	0	0	0	110.6	I387 L392 I449 I451 Q455 A456 V457 V470	I387-V453 HydrophobicContact CG2-CG2 4.22Å; L392-V453 HydrophobicContact CD1-CG2 3.75Å; I449-V453 HydrophobicContact CG2-CG2 4.13Å; I449-V453 VanDerWaalsContact O-CG2 3.32Å; I449-V453 WeakPolarHBondContact O-CG2 3.39Å; I449-V453 PolarHBondContact O-N 3.44Å; I451-V453 VanDerWaalsContact C-N 3.31Å; I451-V453 PolarHBondContact O-N 3.05Å; V453-Q455 VanDerWaalsContact C-N 3.3Å; V453-Q455 PolarHBondContact O-N 3.46Å; V453-A456 PolarHBondContact O-N 3.42Å; V453-V457 HydrophobicContact CG1-CG2 4.41Å; V453-V457 WeakPolarHBondContact O-CG2 3.36Å; V453-V457 PolarHBondContact O-N 3.23Å; V453-V470 HydrophobicContact CG1-CG1 4.04Å; V453-V470 HydrophobicContact CG1-CG2 3.71Å; V453-V470 HydrophobicContact CG2-CG1 4.37Å
454	K	94.7	Very high	93.7	Very high	121 Å²	121	61.4 Å²	61.4	53%	0.526	32%	0.323	S	S	.	.	H	α-helix	trans	-59.8	-40.8	176.7	-72.9	174.7	-176.5	-179	0	111.9	A450 I451 V457 N458 L483	A450-K454 WeakPolarHBondContact O-CG 3.35Å; A450-K454 PolarHBondContact O-N 3.04Å; A450-K454 VanDerWaalsContact O-N 3.08Å; I451-K454 WeakPolarHBondContact O-CB 3.33Å; I451-K454 PolarHBondContact O-N 2.85Å; K454-V457 PolarHBondContact O-N 2.77Å; K454-N458 WeakPolarHBondContact O-CB 3.44Å; K454-N458 PolarHBondContact O-N 2.99Å; K454-N458 PolarHBondContact O-ND2 2.84Å; K454-L483 HydrophobicContact CD-CD2 4.45Å; K454-L483 HydrophobicContact CG-CD2 4.36Å
455	Q	94.4	Very high	93.7	Very high	110 Å²	110	66.2 Å²	66.2	51%	0.514	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-45.6	176.2	-70.4	173.8	-7.1	0	0	111.7	I451 L452 V453 V457 N458 Q459	I451-Q455 WeakPolarHBondContact O-CG 3.35Å; I451-Q455 PolarHBondContact O-N 3.06Å; L452-Q455 PolarHBondContact O-N 3.48Å; V453-Q455 VanDerWaalsContact C-N 3.3Å; V453-Q455 PolarHBondContact O-N 3.46Å; Q455-V457 PolarHBondContact O-N 2.82Å; Q455-N458 PolarHBondContact O-N 2.96Å; Q455-Q459 PolarHBondContact O-N 2.88Å
456	A	95.2	Very high	93.8	Very high	23 Å²	23	67.7 Å²	67.7	19%	0.19	36%	0.357	C	S	.	.	H	α-helix	trans	-63.4	-40.4	177.6	0	0	0	0	0	112.3	I387 L452 V453 Q459 A460	I387-A456 HydrophobicContact CD1-CB 3.85Å; I387-A456 HydrophobicContact CG1-CB 4.08Å; I387-A456 HydrophobicContact CG2-CB 4.07Å; L452-A456 WeakPolarHBondContact O-CB 3.1Å; L452-A456 PolarHBondContact O-N 3.16Å; V453-A456 PolarHBondContact O-N 3.42Å; A456-Q459 PolarHBondContact O-N 3.06Å; A456-A460 PolarHBondContact O-N 3.05Å
457	V	95.1	Very high	94	Very high	14 Å²	14	65.2 Å²	65.2	9%	0.085	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-45	173.2	171	0	0	0	0	110.9	P359 V361 I387 V453 K454 Q455 Q459 A460 R461	P359-V457 HydrophobicContact CG-CG1 3.91Å; V361-V457 HydrophobicContact CG1-CG2 4.37Å; V361-V457 HydrophobicContact CG2-CG1 3.74Å; V361-V457 HydrophobicContact CG2-CG2 4.14Å; I387-V457 HydrophobicContact CD1-CB 4.44Å; I387-V457 HydrophobicContact CD1-CG2 3.48Å; I387-V457 VanDerWaalsContact CD1-CG2 3.48Å; V453-V457 HydrophobicContact CG1-CG2 4.41Å; V453-V457 WeakPolarHBondContact O-CG2 3.36Å; V453-V457 PolarHBondContact O-N 3.23Å; K454-V457 PolarHBondContact O-N 2.77Å; Q455-V457 PolarHBondContact O-N 2.82Å; V457-Q459 VanDerWaalsContact C-N 3.34Å; V457-Q459 PolarHBondContact O-N 3.25Å; V457-A460 WeakPolarHBondContact O-CB 3.38Å; V457-A460 PolarHBondContact O-N 2.92Å; V457-R461 PolarHBondContact O-N 2.86Å
458	N	94.3	Very high	94.2	Very high	73 Å²	73	61.9 Å²	61.9	39%	0.39	33%	0.327	S	S	.	.	H	α-helix	trans	-63.5	-39	176.4	-76.8	-29.8	0	0	0	112.1	K454 Q455 R461 F462	K454-N458 WeakPolarHBondContact O-CB 3.44Å; K454-N458 PolarHBondContact O-N 2.99Å; K454-N458 PolarHBondContact O-ND2 2.84Å; Q455-N458 PolarHBondContact O-N 2.96Å; N458-R461 VanDerWaalsContact O-CB 3.26Å; N458-R461 WeakPolarHBondContact O-CB 3.09Å; N458-R461 PolarHBondContact O-N 3.17Å; N458-F462 HydrophobicContact CB-CE2 4.49Å; N458-F462 WeakPolarHBondContact O-CD2 3.23Å; N458-F462 PolarHBondContact O-N 3.06Å
459	Q	94.7	Very high	94.4	Very high	135 Å²	135	60 Å²	60	63%	0.631	32%	0.318	S	S	*	.	H	α-helix	trans	-64.4	-40.2	175.5	-170	-179.7	16.4	0	0	112.1	Q455 A456 V457 R461 F462 S463	Q455-Q459 PolarHBondContact O-N 2.88Å; A456-Q459 PolarHBondContact O-N 3.06Å; V457-Q459 VanDerWaalsContact C-N 3.34Å; V457-Q459 PolarHBondContact O-N 3.25Å; Q459-R461 VanDerWaalsContact C-N 3.29Å; Q459-R461 PolarHBondContact O-N 3.2Å; Q459-F462 PolarHBondContact O-N 3.35Å; Q459-S463 PolarHBondContact O-N 3.25Å; Q459-S463 PolarHBondContact O-OG 2.93Å
460	A	93.8	Very high	94.5	Very high	6 Å²	6	59.6 Å²	59.6	5%	0.05	32%	0.316	C	S	.	.	H	α-helix	trans	-62.9	-38.1	173.9	0	0	0	0	0	111.4	V385 A456 V457 S463 G464 R465 C468	V385-A460 HydrophobicContact CB-CB 4.41Å; V385-A460 HydrophobicContact CG1-CB 4.32Å; V385-A460 HydrophobicContact CG2-CB 4.26Å; A456-A460 PolarHBondContact O-N 3.05Å; V457-A460 WeakPolarHBondContact O-CB 3.38Å; V457-A460 PolarHBondContact O-N 2.92Å; A460-S463 CarbonylContact O-C 3.59Å; A460-S463 WeakPolarHBondContact O-CB 3.37Å; A460-S463 PolarHBondContact O-N 3.23Å; A460-G464 PolarHBondContact O-N 2.8Å; A460-R465 HydrophobicContact CB-CB 4.25Å; A460-R465 WeakPolarHBondContact O-CB 3.14Å; A460-R465 WeakPolarHBondContact O-CG 3.39Å; A460-R465 PolarHBondContact O-N 2.83Å; A460-R465 VanDerWaalsContact O-N 3.08Å; A460-C468 WeakPolarHBondContact CB-SG 3.37Å
461	R	92.3	Very high	94.6	Very high	124 Å²	124	59 Å²	59	47%	0.468	31%	0.311	S	S	.	.	H	α-helix	trans	-59.2	-49.9	173.4	-170.1	179.8	176.6	-172.8	-0.7	112.2	P359 V457 N458 Q459 S463 G464	P359-R461 HydrophobicContact CG-CB 4.39Å; V457-R461 PolarHBondContact O-N 2.86Å; N458-R461 VanDerWaalsContact O-CB 3.26Å; N458-R461 WeakPolarHBondContact O-CB 3.09Å; N458-R461 PolarHBondContact O-N 3.17Å; Q459-R461 VanDerWaalsContact C-N 3.29Å; Q459-R461 PolarHBondContact O-N 3.2Å; R461-S463 PolarHBondContact O-N 3.27Å; R461-G464 PolarHBondContact O-N 2.89Å
462	F	91.9	Very high	94.7	Very high	183 Å²	183	55.5 Å²	55.5	80%	0.803	29%	0.293	S	S	*	.	H	α-helix	trans	-63.8	-27.3	177.6	-69	-62.2	0	0	0	112.7	N458 Q459 G464	N458-F462 HydrophobicContact CB-CE2 4.49Å; N458-F462 WeakPolarHBondContact O-CD2 3.23Å; N458-F462 PolarHBondContact O-N 3.06Å; Q459-F462 PolarHBondContact O-N 3.35Å; F462-G464 PolarHBondContact O-N 2.85Å
463	S	91	Very high	94.4	Very high	78 Å²	78	54.4 Å²	54.4	55%	0.545	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	7.2	173.4	-55.3	0	0	0	0	114.1	Q459 A460 R461 R465	Q459-S463 PolarHBondContact O-N 3.25Å; Q459-S463 PolarHBondContact O-OG 2.93Å; A460-S463 CarbonylContact O-C 3.59Å; A460-S463 WeakPolarHBondContact O-CB 3.37Å; A460-S463 PolarHBondContact O-N 3.23Å; R461-S463 PolarHBondContact O-N 3.27Å; S463-R465 VanDerWaalsContact C-N 3.31Å; S463-R465 PolarHBondContact O-N 3.17Å
464	G	91.4	Very high	94.1	Very high	69 Å²	69	56.3 Å²	56.3	71%	0.711	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	23.5	177.7	0	0	0	0	0	114.7	A460 R461 F462	A460-G464 PolarHBondContact O-N 2.8Å; R461-G464 PolarHBondContact O-N 2.89Å; F462-G464 PolarHBondContact O-N 2.85Å
465	R	92.1	Very high	94.1	Very high	133 Å²	133	50.6 Å²	50.6	50%	0.502	28%	0.277	S	S	.	.			trans	-81.5	138.3	-177.8	-60.5	-72.1	-170.4	168.2	0.7	110.5	P359 V385 A460 S463	P359-R465 WeakPolarHBondContact CB-O 3.44Å; V385-R465 HydrophobicContact CG2-CB 3.78Å; V385-R465 HydrophobicContact CG2-CG 3.54Å; A460-R465 HydrophobicContact CB-CB 4.25Å; A460-R465 WeakPolarHBondContact O-CB 3.14Å; A460-R465 WeakPolarHBondContact O-CG 3.39Å; A460-R465 PolarHBondContact O-N 2.83Å; A460-R465 VanDerWaalsContact O-N 3.08Å; S463-R465 VanDerWaalsContact C-N 3.31Å; S463-R465 PolarHBondContact O-N 3.17Å
466	G	94.5	Very high	94.1	Very high	43 Å²	43	45.6 Å²	45.6	44%	0.443	25%	0.253	S	S	.	.	S	Bend	trans	-85.6	-30.6	-176.6	0	0	0	0	0	114.7	P359 Y360	P359-G466 CarbonylContact C-O 3.54Å; P359-G466 WeakPolarHBondContact CA-O 3.4Å; Y360-G466 PolarHBondContact N-O 2.69Å
467	V	97.6	Very high	93.9	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.036	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.8	-174.1	-177.2	0	0	0	0	110.9	Y360 I362 A384 V385 W550 L553 I557	Y360-V467 CarbonylContact O-C 3.52Å; Y360-V467 VanDerWaalsContact O-CA 3.31Å; Y360-V467 WeakPolarHBondContact O-CA 3.31Å; Y360-V467 WeakPolarHBondContact O-CG1 3.23Å; I362-V467 HydrophobicContact CD1-CG1 3.82Å; I362-V467 HydrophobicContact CG1-CG1 4.28Å; A384-V467 HydrophobicContact CB-CB 4.4Å; A384-V467 HydrophobicContact CB-CG1 4.17Å; V385-V467 PolarHBondContact N-O 2.84Å; V467-W550 HydrophobicContact CB-CH2 3.92Å; V467-W550 HydrophobicContact CB-CZ3 4.22Å; V467-W550 HydrophobicContact CG1-CH2 4.12Å; V467-W550 HydrophobicContact CG1-CZ3 3.89Å; V467-W550 HydrophobicContact CG2-CH2 3.89Å; V467-W550 HydrophobicContact CG2-CZ3 4.29Å; V467-L553 HydrophobicContact CG1-CD2 4.35Å; V467-I557 HydrophobicContact CG2-CD1 3.83Å
468	C	97.8	Very high	93.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	144.5	172.8	-70.3	0	0	0	0	110.4	Y360 V361 I362 V385 I387 A460	Y360-C468 PolarHBondContact O-N 3.21Å; V361-C468 CarbonylContact C-O 3.56Å; V361-C468 WeakPolarHBondContact CA-O 3.43Å; V361-C468 HydrophobicContact CG1-CB 4.47Å; V361-C468 HydrophobicContact CG2-CB 4.41Å; I362-C468 PolarHBondContact N-O 3.42Å; V385-C468 CarbonylContact O-C 3.6Å; V385-C468 WeakPolarHBondContact O-CA 3.4Å; I387-C468 HydrophobicContact CD1-CB 4.29Å; A460-C468 WeakPolarHBondContact CB-SG 3.37Å
469	V	98.2	Very high	93.7	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	109.1	175.3	178	0	0	0	0	108.6	I362 L364 L379 A384 V385 I387 D471	I362-V469 HydrophobicContact CB-CG2 4.35Å; I362-V469 HydrophobicContact CD1-CG2 4.29Å; I362-V469 CarbonylContact O-C 3.59Å; I362-V469 WeakPolarHBondContact O-CA 3.32Å; L364-V469 HydrophobicContact CB-CG1 3.69Å; L364-V469 HydrophobicContact CD2-CG1 4.1Å; L364-V469 HydrophobicContact CG-CG1 4.47Å; L379-V469 HydrophobicContact CB-CG2 4.2Å; L379-V469 HydrophobicContact CD1-CG1 4.33Å; L379-V469 HydrophobicContact CD1-CG2 3.93Å; A384-V469 HydrophobicContact CB-CG2 3.77Å; V385-V469 PolarHBondContact O-N 3.16Å; I387-V469 PolarHBondContact N-O 2.93Å; V469-D471 PolarHBondContact O-N 3.42Å
470	V	97.8	Very high	93.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	100.1	171.9	179.7	0	0	0	0	107.8	V361 I362 L364 I387 C389 V453 A472 L475 V484	V361-V470 HydrophobicContact CG1-CG2 3.6Å; I362-V470 PolarHBondContact O-N 2.82Å; L364-V470 PolarHBondContact N-O 3.35Å; I387-V470 HydrophobicContact CD1-CG2 4.42Å; C389-V470 VanDerWaalsContact SG-CG1 3.55Å; V453-V470 HydrophobicContact CG1-CG1 4.04Å; V453-V470 HydrophobicContact CG1-CG2 3.71Å; V453-V470 HydrophobicContact CG2-CG1 4.37Å; V470-A472 HydrophobicContact CG1-CB 4.49Å; V470-A472 PolarHBondContact O-N 2.8Å; V470-L475 HydrophobicContact CG1-CD1 4.28Å; V470-V484 HydrophobicContact CB-CG1 4.35Å; V470-V484 HydrophobicContact CG2-CG1 4.32Å
471	D	96.9	Very high	93.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	97.9	-178	-175.7	9.7	0	0	0	109.8	K372 R386 I387 C389 V469	K372-D471 WeakPolarHBondContact CD-OD1 3.5Å; K372-D471 WeakPolarHBondContact CE-OD1 3.49Å; K372-D471 VanDerWaalsContact CG-OD1 3.23Å; K372-D471 WeakPolarHBondContact CG-OD1 3.29Å; K372-D471 IonicContact NZ-OD1 2.73Å; K372-D471 PolarHBondContact NZ-OD1 2.92Å; K372-D471 IonicContact NZ-OD2 3.45Å; R386-D471 IonicContact CZ-OD2 2.74Å; R386-D471 VanDerWaalsContact CZ-OD2 3.24Å; R386-D471 IonicContact NH1-OD2 2.96Å; R386-D471 PolarHBondContact NH1-OD2 3.04Å; R386-D471 IonicContact NH2-OD2 3.82Å; R386-D471 PolarHBondContact NH2-OD2 3.36Å; I387-D471 PolarHBondContact O-N 2.89Å; C389-D471 WeakPolarHBondContact CB-O 3.34Å; C389-D471 PolarHBondContact N-O 2.98Å; V469-D471 PolarHBondContact O-N 3.42Å
472	A	94.4	Very high	93.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	25%	0.247	C	C	.	.			trans	-138.8	119.3	-173.7	0	0	0	0	0	112	L364 T365 C389 V470 V474 L475 W480	L364-A472 PolarHBondContact O-N 2.84Å; T365-A472 WeakPolarHBondContact CA-O 3.47Å; T365-A472 WeakPolarHBondContact CB-O 3.49Å; T365-A472 PolarHBondContact OG1-O 3.01Å; T365-A472 VanDerWaalsContact OG1-O 3.13Å; C389-A472 HydrophobicContact CB-CB 3.82Å; V470-A472 HydrophobicContact CG1-CB 4.49Å; V470-A472 PolarHBondContact O-N 2.8Å; A472-V474 PolarHBondContact O-N 2.95Å; A472-L475 HydrophobicContact CB-CB 4.05Å; A472-L475 HydrophobicContact CB-CD1 4.17Å; A472-L475 PolarHBondContact O-N 2.99Å; A472-W480 HydrophobicContact CB-CE3 4.07Å; A472-W480 HydrophobicContact CB-CZ3 3.91Å
473	A	89	Confident	93.6	Very high	19 Å²	19	33 Å²	33	16%	0.157	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.5	177.9	0	0	0	0	0	113.7	T365	T365-A473 PolarHBondContact OG1-O 3.02Å
474	V	89.7	Confident	93.9	Very high	43 Å²	43	29.5 Å²	29.5	26%	0.261	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	22.5	-177.7	-64.2	0	0	0	0	112.5	W446 A472 L476 E477 A478	W446-V474 HydrophobicContact CZ2-CB 4.2Å; W446-V474 HydrophobicContact CZ2-CG2 4.13Å; A472-V474 PolarHBondContact O-N 2.95Å; V474-L476 PolarHBondContact O-N 3.23Å; V474-E477 WeakPolarHBondContact CA-OE2 3.39Å; V474-E477 HydrophobicContact CB-CB 4.38Å; V474-E477 PolarHBondContact O-N 3.36Å; V474-A478 HydrophobicContact CG2-CB 4.46Å; V474-A478 WeakPolarHBondContact O-CB 3.33Å; V474-A478 PolarHBondContact O-N 2.88Å
475	L	94.7	Very high	94.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-43.8	-175.5	-174.4	81.5	0	0	0	112.6	T365 V470 A472 W480 V484 V487	T365-L475 HydrophobicContact CG2-CB 4.46Å; T365-L475 HydrophobicContact CG2-CD2 4.29Å; V470-L475 HydrophobicContact CG1-CD1 4.28Å; A472-L475 HydrophobicContact CB-CB 4.05Å; A472-L475 HydrophobicContact CB-CD1 4.17Å; A472-L475 PolarHBondContact O-N 2.99Å; L475-W480 HydrophobicContact CD1-CB 3.84Å; L475-W480 HydrophobicContact CD1-CE3 4.39Å; L475-W480 HydrophobicContact CG-CB 4.38Å; L475-W480 WeakPolarHBondContact O-CB 3.46Å; L475-W480 PolarHBondContact O-N 2.96Å; L475-V484 HydrophobicContact CD1-CG1 4.48Å; L475-V487 HydrophobicContact CD2-CG1 4.02Å; L475-V487 HydrophobicContact CD2-CG2 4.19Å
476	L	93.7	Very high	94.3	Very high	5 Å²	5	20.9 Å²	20.9	3%	0.026	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-42.7	-175.2	-63.9	177.9	0	0	0	111.4	T365 V474 A478 G479 I481 V487 W520 Q525 Y528	T365-L476 HydrophobicContact CG2-CD1 4.2Å; T365-L476 HydrophobicContact CG2-CG 4.22Å; V474-L476 PolarHBondContact O-N 3.23Å; L476-A478 VanDerWaalsContact C-N 3.3Å; L476-A478 PolarHBondContact O-N 3.32Å; L476-G479 PolarHBondContact O-N 2.92Å; L476-G479 VanDerWaalsContact O-N 3.16Å; L476-I481 HydrophobicContact CD2-CD1 3.67Å; L476-I481 HydrophobicContact CD2-CG1 3.64Å; L476-V487 HydrophobicContact CD2-CG1 4.13Å; L476-V487 HydrophobicContact CD2-CG2 4.44Å; L476-W520 HydrophobicContact CB-CE3 4.01Å; L476-W520 HydrophobicContact CB-CZ3 3.95Å; L476-Q525 HydrophobicContact CD1-CB 3.68Å; L476-Q525 HydrophobicContact CD1-CG 3.88Å; L476-Y528 HydrophobicContact CD2-CG 4.35Å
477	E	91.3	Very high	94.5	Very high	40 Å²	40	19 Å²	19	19%	0.187	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-36.9	177.5	-65.6	86.6	164.3	0	0	112.1	W446 V474 G479 W520	W446-E477 HydrophobicContact CH2-CB 4.36Å; V474-E477 WeakPolarHBondContact CA-OE2 3.39Å; V474-E477 HydrophobicContact CB-CB 4.38Å; V474-E477 PolarHBondContact O-N 3.36Å; E477-G479 VanDerWaalsContact C-N 3.25Å; E477-G479 PolarHBondContact O-N 2.94Å; E477-W520 HydrophobicContact CG-CD2 4.17Å; E477-W520 HydrophobicContact CG-CG 3.93Å; E477-W520 WeakPolarHBondContact OE1-CB 3.25Å; E477-W520 PolarHBondContact OE1-N 3.11Å
478	A	91.7	Very high	94.5	Very high	19 Å²	19	18.7 Å²	18.7	16%	0.157	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-2.2	178	0	0	0	0	0	113.6	W446 V474 L476 W480	W446-A478 HydrophobicContact CD2-CB 3.64Å; W446-A478 HydrophobicContact CE3-CB 3.65Å; W446-A478 HydrophobicContact CG-CB 4.14Å; W446-A478 HydrophobicContact CH2-CB 4.3Å; W446-A478 HydrophobicContact CZ2-CB 4.3Å; W446-A478 HydrophobicContact CZ3-CB 3.99Å; V474-A478 HydrophobicContact CG2-CB 4.46Å; V474-A478 WeakPolarHBondContact O-CB 3.33Å; V474-A478 PolarHBondContact O-N 2.88Å; L476-A478 VanDerWaalsContact C-N 3.3Å; L476-A478 PolarHBondContact O-N 3.32Å; A478-W480 VanDerWaalsContact C-N 3.27Å; A478-W480 HydrophobicContact CB-CD2 3.72Å; A478-W480 HydrophobicContact CB-CE3 4.33Å; A478-W480 HydrophobicContact CB-CG 3.94Å; A478-W480 HydrophobicContact CB-CZ2 3.96Å; A478-W480 PolarHBondContact O-N 3.42Å
479	G	92.4	Very high	94.5	Very high	46 Å²	46	18.7 Å²	18.7	47%	0.474	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	24.5	-179.1	0	0	0	0	0	113.7	L476 E477 I481	L476-G479 PolarHBondContact O-N 2.92Å; L476-G479 VanDerWaalsContact O-N 3.16Å; E477-G479 VanDerWaalsContact C-N 3.25Å; E477-G479 PolarHBondContact O-N 2.94Å; G479-I481 PolarHBondContact O-N 2.81Å
480	W	94	Very high	94.5	Very high	14 Å²	14	18.6 Å²	18.6	5%	0.053	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-83.4	14.1	-176.9	-65.1	-10.1	0	0	0	113.9	C389 W446 I449 A472 L475 A478 D482 L483	C389-W480 HydrophobicContact CB-CZ3 4.14Å; W446-W480 HydrophobicContact CB-CZ2 3.79Å; W446-W480 AromaticContact CD1-CZ2 3.97Å; W446-W480 AromaticContact CG-CZ2 3.94Å; W446-W480 HydrophobicContact CG-CZ2 3.94Å; W446-W480 WeakPolarHBondContact O-CZ2 3.46Å; I449-W480 HydrophobicContact CB-CH2 3.82Å; I449-W480 HydrophobicContact CB-CZ2 3.96Å; I449-W480 HydrophobicContact CD1-CH2 4.14Å; I449-W480 HydrophobicContact CG2-CH2 3.43Å; I449-W480 VanDerWaalsContact CG2-CH2 3.43Å; I449-W480 HydrophobicContact CG2-CZ2 4Å; I449-W480 HydrophobicContact CG2-CZ3 4.05Å; A472-W480 HydrophobicContact CB-CE3 4.07Å; A472-W480 HydrophobicContact CB-CZ3 3.91Å; L475-W480 HydrophobicContact CD1-CB 3.84Å; L475-W480 HydrophobicContact CD1-CE3 4.39Å; L475-W480 HydrophobicContact CG-CB 4.38Å; L475-W480 WeakPolarHBondContact O-CB 3.46Å; L475-W480 PolarHBondContact O-N 2.96Å; A478-W480 VanDerWaalsContact C-N 3.27Å; A478-W480 HydrophobicContact CB-CD2 3.72Å; A478-W480 HydrophobicContact CB-CE3 4.33Å; A478-W480 HydrophobicContact CB-CG 3.94Å; A478-W480 HydrophobicContact CB-CZ2 3.96Å; A478-W480 PolarHBondContact O-N 3.42Å; W480-D482 PolarHBondContact O-N 3.33Å; W480-L483 HydrophobicContact CB-CD1 3.84Å; W480-L483 HydrophobicContact CB-CG 4.19Å; W480-L483 HydrophobicContact CD2-CD1 4.33Å; W480-L483 HydrophobicContact CG-CD1 3.76Å; W480-L483 WeakPolarHBondContact O-CB 3.44Å; W480-L483 PolarHBondContact O-N 3.02Å
481	I	93.4	Very high	94.5	Very high	45 Å²	45	18.7 Å²	18.7	23%	0.231	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-57.6	-37.4	175.6	-58.7	173.8	0	0	0	110.2	L476 G479 L483 V484 V487 Y528	L476-I481 HydrophobicContact CD2-CD1 3.67Å; L476-I481 HydrophobicContact CD2-CG1 3.64Å; G479-I481 PolarHBondContact O-N 2.81Å; I481-L483 PolarHBondContact O-N 3.36Å; I481-V484 WeakPolarHBondContact O-CG2 3.29Å; I481-V484 PolarHBondContact O-N 3.26Å; I481-V487 HydrophobicContact CG2-CG2 4.28Å; I481-Y528 HydrophobicContact CD1-CD1 3.78Å; I481-Y528 HydrophobicContact CD1-CE1 4.34Å; I481-Y528 HydrophobicContact CD1-CG 4.34Å
482	D	91.5	Very high	94.4	Very high	110 Å²	110	19 Å²	19	59%	0.588	12%	0.115	S	C	*	.	G	3₁₀ helix	trans	-72.9	-6.6	179.2	-60.1	-32.3	0	0	0	113.2	H354 W480 V484	H354-D482 PolarHBondContact NE2-O 3.34Å; W480-D482 PolarHBondContact O-N 3.33Å; D482-V484 VanDerWaalsContact C-N 3.32Å
483	L	93.5	Very high	94.3	Very high	21 Å²	21	21.6 Å²	21.6	11%	0.11	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-86.9	-5.9	174.4	-56.5	-176.4	0	0	0	112.7	A450 K454 W480 I481	A450-L483 HydrophobicContact CB-CD1 3.77Å; K454-L483 HydrophobicContact CD-CD2 4.45Å; K454-L483 HydrophobicContact CG-CD2 4.36Å; W480-L483 HydrophobicContact CB-CD1 3.84Å; W480-L483 HydrophobicContact CB-CG 4.19Å; W480-L483 HydrophobicContact CD2-CD1 4.33Å; W480-L483 HydrophobicContact CG-CD1 3.76Å; W480-L483 WeakPolarHBondContact O-CB 3.44Å; W480-L483 PolarHBondContact O-N 3.02Å; I481-L483 PolarHBondContact O-N 3.36Å
484	V	96.3	Very high	94.4	Very high	3 Å²	3	25 Å²	25	2%	0.018	15%	0.145	C	C	.	.			trans	-133.7	159.3	-171.1	-51.8	0	0	0	0	111.7	V361 V470 L475 I481 D482 V487	V361-V484 HydrophobicContact CG1-CB 4.2Å; V361-V484 HydrophobicContact CG1-CG1 3.81Å; V470-V484 HydrophobicContact CB-CG1 4.35Å; V470-V484 HydrophobicContact CG2-CG1 4.32Å; L475-V484 HydrophobicContact CD1-CG1 4.48Å; I481-V484 WeakPolarHBondContact O-CG2 3.29Å; I481-V484 PolarHBondContact O-N 3.26Å; D482-V484 VanDerWaalsContact C-N 3.32Å; V484-V487 HydrophobicContact CG2-CG2 4.02Å
485	H	96.4	Very high	94.5	Very high	22 Å²	22	30.7 Å²	30.7	10%	0.102	17%	0.169	C	C	.	.	S	Bend	trans	-87	-38.4	174	-54.4	90.9	0	0	0	111	L355 P356 Y360 V361	L355-H485 WeakPolarHBondContact CB-NE2 3.34Å; P356-H485 PolarHBondContact O-NE2 2.92Å; Y360-H485 HydrophobicContact CD1-CB 4.25Å; Y360-H485 HydrophobicContact CD2-CB 4.2Å; Y360-H485 AromaticContact CD2-CG 3.99Å; Y360-H485 HydrophobicContact CE1-CB 3.75Å; Y360-H485 HydrophobicContact CE2-CB 3.68Å; Y360-H485 AromaticContact CE2-CG 3.87Å; Y360-H485 HydrophobicContact CG-CB 4.48Å; Y360-H485 VanDerWaalsContact CZ-CB 3.47Å; V361-H485 PolarHBondContact N-CE1 3Å; V361-H485 PolarHBondContact N-ND1 2.89Å; V361-H485 PolarHBondContact O-N 3.48Å; V361-H485 PolarHBondContact O-ND1 3.46Å
486	E	96.6	Very high	94.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.2	179.2	-76.8	179.4	-149.4	0	0	111.8	P349 Y360 I362 G363 W488 N530 R556	P349-E486 HydrophobicContact CB-CG 4.11Å; P349-E486 HydrophobicContact CG-CG 3.75Å; Y360-E486 HydrophobicContact CE1-CB 4.36Å; Y360-E486 HydrophobicContact CE1-CG 3.98Å; Y360-E486 WeakPolarHBondContact OH-CG 3.29Å; Y360-E486 PolarHBondContact OH-OE1 3.26Å; I362-E486 CarbonylContact C-O 3.59Å; I362-E486 WeakPolarHBondContact CA-O 3.43Å; G363-E486 PolarHBondContact N-O 3.01Å; E486-W488 PolarHBondContact OE2-NE1 3.05Å; E486-N530 WeakPolarHBondContact CA-OD1 3.39Å; E486-N530 HydrophobicContact CB-CB 4Å; E486-N530 HydrophobicContact CG-CB 3.92Å; E486-R556 VanDerWaalsContact CD-NH2 3.34Å; E486-R556 IonicContact OE1-CZ 3.87Å; E486-R556 IonicContact OE1-NE 2.71Å; E486-R556 PolarHBondContact OE1-NE 3.5Å; E486-R556 IonicContact OE1-NH2 3.67Å; E486-R556 PolarHBondContact OE1-NH2 3.13Å; E486-R556 VanDerWaalsContact OE1-NH2 3.17Å; E486-R556 IonicContact OE2-CZ 3.38Å; E486-R556 IonicContact OE2-NE 2.77Å; E486-R556 IonicContact OE2-NH2 3.17Å; E486-R556 PolarHBondContact OE2-NH2 3.26Å
487	V	97.8	Very high	94.5	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.3	169.6	-179.9	0	0	0	0	109.6	G363 T365 L475 L476 I481 V484 V489 N530 V531	G363-V487 CarbonylContact O-C 3.31Å; G363-V487 WeakPolarHBondContact O-CA 3.36Å; T365-V487 HydrophobicContact CG2-CG1 4.08Å; L475-V487 HydrophobicContact CD2-CG1 4.02Å; L475-V487 HydrophobicContact CD2-CG2 4.19Å; L476-V487 HydrophobicContact CD2-CG1 4.13Å; L476-V487 HydrophobicContact CD2-CG2 4.44Å; I481-V487 HydrophobicContact CG2-CG2 4.28Å; V484-V487 HydrophobicContact CG2-CG2 4.02Å; V487-V489 HydrophobicContact CG1-CG2 3.9Å; V487-N530 PolarHBondContact N-OD1 3.07Å; V487-N530 PolarHBondContact O-N 3.3Å; V487-V531 PolarHBondContact O-N 3.2Å
488	W	98.3	Very high	94.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.7	173.6	-72.6	29.5	0	0	0	109	I362 G363 L364 T365 L379 E486 V531 L533 A549 L553	I362-W488 HydrophobicContact CD1-CH2 4.38Å; I362-W488 HydrophobicContact CD1-CZ2 4.04Å; I362-W488 HydrophobicContact CG2-CB 3.94Å; I362-W488 HydrophobicContact CG2-CD2 3.79Å; I362-W488 HydrophobicContact CG2-CG 3.48Å; I362-W488 VanDerWaalsContact CG2-CG 3.48Å; G363-W488 PolarHBondContact O-N 2.98Å; L364-W488 WeakPolarHBondContact CA-O 3.41Å; L364-W488 HydrophobicContact CD1-CB 3.76Å; T365-W488 PolarHBondContact N-O 3.45Å; L379-W488 HydrophobicContact CD1-CE3 4.33Å; L379-W488 HydrophobicContact CD1-CZ3 4.23Å; L379-W488 HydrophobicContact CD2-CH2 4.36Å; L379-W488 HydrophobicContact CD2-CZ3 3.91Å; E486-W488 PolarHBondContact OE2-NE1 3.05Å; W488-V531 VanDerWaalsContact CA-O 3.31Å; W488-V531 WeakPolarHBondContact CA-O 3.42Å; W488-V531 HydrophobicContact CD2-CB 3.96Å; W488-V531 HydrophobicContact CD2-CG1 4.17Å; W488-V531 HydrophobicContact CD2-CG2 4.36Å; W488-V531 HydrophobicContact CE3-CG1 4.48Å; W488-V531 HydrophobicContact CG-CB 3.83Å; W488-V531 HydrophobicContact CG-CG1 4.44Å; W488-V531 HydrophobicContact CG-CG2 4.43Å; W488-V531 HydrophobicContact CZ2-CG2 4.28Å; W488-L533 HydrophobicContact CE3-CD1 3.87Å; W488-L533 HydrophobicContact CZ3-CD1 4.24Å; W488-A549 HydrophobicContact CE3-CB 4.48Å; W488-A549 HydrophobicContact CH2-CB 3.39Å; W488-A549 HydrophobicContact CZ2-CB 4.12Å; W488-A549 HydrophobicContact CZ3-CB 3.59Å; W488-L553 HydrophobicContact CZ2-CB 4.42Å; W488-L553 HydrophobicContact CZ2-CD2 4.31Å
489	V	98	Very high	94.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.5	-177	-177.4	0	0	0	0	110.3	T365 V487 I491 Q525 V526 A529 V531 V532 L533	T365-V489 HydrophobicContact CG2-CG2 3.8Å; T365-V489 CarbonylContact O-C 3.57Å; T365-V489 VanDerWaalsContact O-CA 3.32Å; T365-V489 WeakPolarHBondContact O-CA 3.48Å; V487-V489 HydrophobicContact CG1-CG2 3.9Å; V489-I491 HydrophobicContact CG1-CG2 3.87Å; V489-Q525 HydrophobicContact CG1-CB 3.89Å; V489-Q525 HydrophobicContact CG2-CB 4.38Å; V489-V526 HydrophobicContact CG1-CG2 4.49Å; V489-A529 HydrophobicContact CB-CB 4.03Å; V489-A529 HydrophobicContact CG2-CB 3.54Å; V489-V531 PolarHBondContact N-O 2.95Å; V489-V532 WeakPolarHBondContact O-CA 3.39Å; V489-L533 PolarHBondContact O-N 3.45Å
490	I	97.6	Very high	95	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.1	170.6	-51.6	83.1	0	0	0	109.7	L364 T365 G366 S370 K372 V375 L533 T535	L364-I490 HydrophobicContact CD1-CD1 3.39Å; L364-I490 HydrophobicContact CD1-CG1 4.42Å; L364-I490 HydrophobicContact CD2-CD1 4.22Å; L364-I490 HydrophobicContact CG-CD1 3.59Å; T365-I490 WeakPolarHBondContact O-CD1 3.3Å; T365-I490 PolarHBondContact O-N 2.72Å; G366-I490 WeakPolarHBondContact CA-O 3.38Å; S370-I490 WeakPolarHBondContact O-CG2 3.46Å; K372-I490 HydrophobicContact CB-CD1 4Å; K372-I490 HydrophobicContact CG-CD1 3.91Å; V375-I490 HydrophobicContact CB-CG1 4.37Å; V375-I490 HydrophobicContact CG2-CG1 4.08Å; I490-L533 WeakPolarHBondContact CA-O 3.37Å; I490-T535 HydrophobicContact CG2-CG2 3.79Å
491	I	96.4	Very high	95	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	150	179.6	63.1	171.8	0	0	0	112	L238 E240 V489 V526 V532 L533 S534	L238-I491 HydrophobicContact CD2-CD1 3.88Å; L238-I491 HydrophobicContact CD2-CG1 4.41Å; E240-I491 HydrophobicContact CB-CD1 4.34Å; V489-I491 HydrophobicContact CG1-CG2 3.87Å; I491-V526 HydrophobicContact CG2-CG2 3.78Å; I491-V532 HydrophobicContact CD1-CG1 3.6Å; I491-V532 HydrophobicContact CG1-CG1 3.74Å; I491-V532 HydrophobicContact CG2-CG1 4.32Å; I491-L533 PolarHBondContact N-O 3.49Å; I491-S534 WeakPolarHBondContact O-CA 3.4Å; I491-S534 PolarHBondContact O-OG 3.2Å
492	I	95	Very high	95	Very high	6 Å²	6	34 Å²	34	3%	0.031	17%	0.173	C	C	.	.			trans	-148.9	160.7	166.5	54.9	171.7	0	0	0	107.9	G369 E496 A497 T535 L536	G369-I492 VanDerWaalsContact O-CD1 3.24Å; G369-I492 WeakPolarHBondContact O-CD1 3.35Å; I492-E496 HydrophobicContact CB-CG 4.42Å; I492-E496 HydrophobicContact CD1-CB 4.39Å; I492-E496 HydrophobicContact CD1-CG 4.07Å; I492-A497 HydrophobicContact CD1-CB 3.73Å; I492-A497 HydrophobicContact CG1-CB 4.07Å; I492-T535 WeakPolarHBondContact CG2-OG1 3.43Å; I492-L536 HydrophobicContact CG2-CB 4.43Å
493	P	92.9	Very high	95.2	Very high	56 Å²	56	35.9 Å²	35.9	36%	0.364	18%	0.179	S	C	.	.			trans	-56.2	145.7	171.5	-23.1	34.9	0	0	0	111.9	E495 E496 A497 L536	P493-E495 VanDerWaalsContact C-N 3.26Å; P493-E495 PolarHBondContact O-N 3.48Å; P493-E496 HydrophobicContact CB-CB 4.33Å; P493-E496 WeakPolarHBondContact O-CB 3.13Å; P493-E496 PolarHBondContact O-N 2.96Å; P493-E496 VanDerWaalsContact O-N 3.1Å; P493-A497 PolarHBondContact O-N 2.91Å; P493-L536 HydrophobicContact CG-CD1 4Å; P493-L536 HydrophobicContact CG-CD2 4.06Å
494	E	91.6	Very high	95.1	Very high	91 Å²	91	42.6 Å²	42.6	43%	0.425	20%	0.203	S	C	.	.	H	α-helix	trans	-58.6	-38.5	179.9	-66.6	168.7	-136.7	0	0	112.2	K239 E496 A497 V498 L516	K239-E494 IonicContact NZ-OE1 3.16Å; K239-E494 PolarHBondContact NZ-OE1 2.98Å; E494-E496 VanDerWaalsContact C-N 3.33Å; E494-E496 PolarHBondContact O-N 2.74Å; E494-A497 WeakPolarHBondContact O-CB 3.45Å; E494-A497 PolarHBondContact O-N 2.9Å; E494-V498 WeakPolarHBondContact O-CG2 3.44Å; E494-V498 PolarHBondContact O-N 2.85Å; E494-L516 HydrophobicContact CB-CD2 3.94Å; E494-L516 HydrophobicContact CG-CD2 4.05Å
495	E	92.2	Very high	94.7	Very high	163 Å²	163	45.3 Å²	45.3	76%	0.762	22%	0.217	S	C	*	.	H	α-helix	trans	-61.4	-41	176.9	-64	176.5	-172.8	0	0	111.7	P493 T499	P493-E495 VanDerWaalsContact C-N 3.26Å; P493-E495 PolarHBondContact O-N 3.48Å; E495-T499 PolarHBondContact O-N 3.02Å; E495-T499 VanDerWaalsContact O-N 3.11Å; E495-T499 PolarHBondContact O-OG1 3.06Å
496	E	94.5	Very high	94.4	Very high	60 Å²	60	47.6 Å²	47.6	28%	0.28	25%	0.247	S	C	.	.	H	α-helix	trans	-69.1	-39.8	176	-179.7	61.7	-164.3	0	0	111.1	I492 P493 E494 V498 T499 R500 L536	I492-E496 HydrophobicContact CB-CG 4.42Å; I492-E496 HydrophobicContact CD1-CB 4.39Å; I492-E496 HydrophobicContact CD1-CG 4.07Å; P493-E496 HydrophobicContact CB-CB 4.33Å; P493-E496 WeakPolarHBondContact O-CB 3.13Å; P493-E496 PolarHBondContact O-N 2.96Å; P493-E496 VanDerWaalsContact O-N 3.1Å; E494-E496 VanDerWaalsContact C-N 3.33Å; E494-E496 PolarHBondContact O-N 2.74Å; E496-V498 PolarHBondContact O-N 2.86Å; E496-T499 PolarHBondContact O-N 3.29Å; E496-R500 WeakPolarHBondContact O-CG 3.39Å; E496-R500 PolarHBondContact O-N 2.97Å; E496-R500 IonicContact OE1-CZ 2.67Å; E496-R500 VanDerWaalsContact OE1-CZ 3.32Å; E496-R500 IonicContact OE1-NE 3.38Å; E496-R500 PolarHBondContact OE1-NE 2.84Å; E496-R500 IonicContact OE1-NH2 3.61Å; E496-R500 PolarHBondContact OE1-NH2 2.95Å; E496-R500 VanDerWaalsContact OE1-NH2 3.08Å; E496-L536 HydrophobicContact CG-CD1 4.18Å
497	A	94.1	Very high	94.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.8	-46	176.3	0	0	0	0	0	111.8	I492 P493 E494 R500 I501 L516	I492-A497 HydrophobicContact CD1-CB 3.73Å; I492-A497 HydrophobicContact CG1-CB 4.07Å; P493-A497 PolarHBondContact O-N 2.91Å; E494-A497 WeakPolarHBondContact O-CB 3.45Å; E494-A497 PolarHBondContact O-N 2.9Å; A497-R500 PolarHBondContact O-N 3.38Å; A497-I501 WeakPolarHBondContact O-CD1 3.14Å; A497-I501 WeakPolarHBondContact O-CG1 3.41Å; A497-I501 PolarHBondContact O-N 2.94Å; A497-L516 HydrophobicContact CB-CD1 4.27Å; A497-L516 HydrophobicContact CB-CD2 4.33Å
498	V	94.6	Very high	93.9	Very high	20 Å²	20	51.1 Å²	51.1	12%	0.121	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-48.5	177.2	170	0	0	0	0	110.5	E494 E496 R500 I501 T502 K509 A512 L513 L516	E494-V498 WeakPolarHBondContact O-CG2 3.44Å; E494-V498 PolarHBondContact O-N 2.85Å; E496-V498 PolarHBondContact O-N 2.86Å; V498-R500 PolarHBondContact O-N 3.08Å; V498-I501 PolarHBondContact O-N 3.01Å; V498-T502 WeakPolarHBondContact O-CB 3.23Å; V498-T502 PolarHBondContact O-N 2.75Å; V498-T502 PolarHBondContact O-OG1 3.09Å; V498-K509 HydrophobicContact CG1-CB 4.41Å; V498-K509 HydrophobicContact CG1-CG 4.39Å; V498-A512 HydrophobicContact CG1-CB 4.1Å; V498-L513 HydrophobicContact CG2-CD1 4.31Å; V498-L516 HydrophobicContact CG2-CD2 4.28Å
499	T	95.6	Very high	93.6	Very high	58 Å²	58	57.8 Å²	57.8	36%	0.356	30%	0.299	S	S	.	.	H	α-helix	trans	-55.7	-50.3	177.4	-60.5	0	0	0	0	111.4	E495 E496 I501 T502 E503	E495-T499 PolarHBondContact O-N 3.02Å; E495-T499 VanDerWaalsContact O-N 3.11Å; E495-T499 PolarHBondContact O-OG1 3.06Å; E496-T499 PolarHBondContact O-N 3.29Å; T499-I501 VanDerWaalsContact C-N 3.34Å; T499-I501 PolarHBondContact O-N 3.07Å; T499-T502 PolarHBondContact O-N 3.01Å; T499-E503 HydrophobicContact CG2-CG 4.44Å; T499-E503 WeakPolarHBondContact CG2-OE1 3.49Å; T499-E503 WeakPolarHBondContact O-CG 3.33Å; T499-E503 PolarHBondContact O-N 3.07Å
500	R	95.3	Very high	93.3	Very high	61 Å²	61	64 Å²	64	23%	0.23	33%	0.329	C	S	.	.	H	α-helix	trans	-61.9	-37.6	179.3	-71.6	177.8	-176.2	-169.1	2.4	113.4	G369 E496 A497 V498 R504 T535	G369-R500 WeakPolarHBondContact O-CD 3.27Å; E496-R500 WeakPolarHBondContact O-CG 3.39Å; E496-R500 PolarHBondContact O-N 2.97Å; E496-R500 IonicContact OE1-CZ 2.67Å; E496-R500 VanDerWaalsContact OE1-CZ 3.32Å; E496-R500 IonicContact OE1-NE 3.38Å; E496-R500 PolarHBondContact OE1-NE 2.84Å; E496-R500 IonicContact OE1-NH2 3.61Å; E496-R500 PolarHBondContact OE1-NH2 2.95Å; E496-R500 VanDerWaalsContact OE1-NH2 3.08Å; A497-R500 PolarHBondContact O-N 3.38Å; V498-R500 PolarHBondContact O-N 3.08Å; R500-R504 WeakPolarHBondContact O-CB 3.27Å; R500-R504 PolarHBondContact O-N 3.02Å; R500-R504 VanDerWaalsContact O-N 3.07Å; R500-T535 PolarHBondContact NH1-O 3.11Å; R500-T535 PolarHBondContact NH1-OG1 3.01Å; R500-T535 PolarHBondContact NH2-O 3.27Å
501	I	93.4	Very high	92.7	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-69.1	-46.9	178.3	-66.8	161.6	0	0	0	110.1	S368 A497 V498 T499 D505 V507 A512	S368-I501 WeakPolarHBondContact OG-CD1 3.48Å; A497-I501 WeakPolarHBondContact O-CD1 3.14Å; A497-I501 WeakPolarHBondContact O-CG1 3.41Å; A497-I501 PolarHBondContact O-N 2.94Å; V498-I501 PolarHBondContact O-N 3.01Å; T499-I501 VanDerWaalsContact C-N 3.34Å; T499-I501 PolarHBondContact O-N 3.07Å; I501-D505 VanDerWaalsContact O-CB 3.27Å; I501-D505 WeakPolarHBondContact O-CB 3.43Å; I501-D505 PolarHBondContact O-N 3.32Å; I501-V507 HydrophobicContact CG2-CG2 3.88Å; I501-A512 HydrophobicContact CB-CB 3.91Å; I501-A512 HydrophobicContact CG2-CB 3.62Å
502	T	94	Very high	92.4	Very high	38 Å²	38	67.9 Å²	67.9	23%	0.233	35%	0.349	C	S	.	.	H	α-helix	trans	-59.1	-48.3	178.3	-70.9	0	0	0	0	111.5	V498 T499 G506 V507	V498-T502 WeakPolarHBondContact O-CB 3.23Å; V498-T502 PolarHBondContact O-N 2.75Å; V498-T502 PolarHBondContact O-OG1 3.09Å; T499-T502 PolarHBondContact O-N 3.01Å; T502-G506 VanDerWaalsContact O-CA 3.3Å; T502-G506 WeakPolarHBondContact O-CA 3.4Å; T502-G506 PolarHBondContact O-N 2.89Å; T502-V507 WeakPolarHBondContact CG2-O 3.05Å; T502-V507 PolarHBondContact OG1-O 3.36Å
503	E	94.5	Very high	92.1	Very high	150 Å²	150	70.8 Å²	70.8	70%	0.701	37%	0.365	S	S	*	.	H	α-helix	trans	-68.2	-43.7	-178.4	-70.9	176.4	175.6	0	0	112.9	T499	T499-E503 HydrophobicContact CG2-CG 4.44Å; T499-E503 WeakPolarHBondContact CG2-OE1 3.49Å; T499-E503 WeakPolarHBondContact O-CG 3.33Å; T499-E503 PolarHBondContact O-N 3.07Å
504	R	92.6	Very high	91.8	Very high	162 Å²	162	71.9 Å²	71.9	61%	0.611	37%	0.372	S	S	*	.	H	α-helix	trans	-73.3	-42.4	-177.4	-174.1	-167.1	69.7	-167.8	-4.8	112.5	R500	R500-R504 WeakPolarHBondContact O-CB 3.27Å; R500-R504 PolarHBondContact O-N 3.02Å; R500-R504 VanDerWaalsContact O-N 3.07Å
505	D	87.8	Confident	91.5	Very high	60 Å²	60	72.3 Å²	72.3	32%	0.321	37%	0.37	S	S	.	.	H	α-helix	trans	-99.8	-9.3	-170.4	-58.9	-16.3	0	0	0	112.9	I501 V507 R515	I501-D505 VanDerWaalsContact O-CB 3.27Å; I501-D505 WeakPolarHBondContact O-CB 3.43Å; I501-D505 PolarHBondContact O-N 3.32Å; D505-V507 VanDerWaalsContact C-N 3.33Å; D505-V507 HydrophobicContact CB-CG1 4.05Å; D505-V507 HydrophobicContact CB-CG2 4.22Å; D505-V507 PolarHBondContact O-N 3Å; D505-R515 IonicContact OD2-NH1 3.63Å; D505-R515 PolarHBondContact OD2-NH1 3.27Å
506	G	90.6	Very high	91.2	Very high	71 Å²	71	65.5 Å²	65.5	73%	0.732	34%	0.339	S	S	*	.			trans	66	31.8	-179.2	0	0	0	0	0	113.8	T502	T502-G506 VanDerWaalsContact O-CA 3.3Å; T502-G506 WeakPolarHBondContact O-CA 3.4Å; T502-G506 PolarHBondContact O-N 2.89Å
507	V	89.9	Confident	90.8	Very high	28 Å²	28	69.3 Å²	69.3	17%	0.17	36%	0.356	C	S	.	.			trans	-105.5	159.5	-176.1	-61.5	0	0	0	0	112.5	I501 T502 D505 D511 A512	I501-V507 HydrophobicContact CG2-CG2 3.88Å; T502-V507 WeakPolarHBondContact CG2-O 3.05Å; T502-V507 PolarHBondContact OG1-O 3.36Å; D505-V507 VanDerWaalsContact C-N 3.33Å; D505-V507 HydrophobicContact CB-CG1 4.05Å; D505-V507 HydrophobicContact CB-CG2 4.22Å; D505-V507 PolarHBondContact O-N 3Å; V507-D511 HydrophobicContact CB-CB 4.16Å; V507-D511 HydrophobicContact CG2-CB 4.48Å; V507-A512 HydrophobicContact CG2-CB 4.27Å
508	S	92.5	Very high	90.2	Very high	47 Å²	47	73.1 Å²	73.1	33%	0.329	38%	0.383	S	S	.	.			trans	-61.1	158.2	175.2	72.1	0	0	0	0	112	E510 D511 A512	S508-E510 PolarHBondContact O-N 2.84Å; S508-D511 PolarHBondContact O-N 3.23Å; S508-D511 WeakPolarHBondContact OG-CB 3.07Å; S508-D511 PolarHBondContact OG-N 3.4Å; S508-D511 PolarHBondContact OG-OD2 2.94Å; S508-A512 PolarHBondContact O-N 3.01Å
509	K	93.4	Very high	89.7	Confident	140 Å²	140	73.7 Å²	73.7	61%	0.609	39%	0.385	S	S	*	.	H	α-helix	trans	-63.1	-35.4	175.8	-74	-175.5	176.9	-177.8	0	110.9	V498 A512 L513	V498-K509 HydrophobicContact CG1-CB 4.41Å; V498-K509 HydrophobicContact CG1-CG 4.39Å; K509-A512 PolarHBondContact O-N 3.18Å; K509-L513 WeakPolarHBondContact O-CB 3.32Å; K509-L513 PolarHBondContact O-N 3.5Å
510	E	90.2	Very high	89.4	Confident	132 Å²	132	74.2 Å²	74.2	62%	0.617	38%	0.38	S	S	*	.	H	α-helix	trans	-64.2	-45.4	177.4	-64.4	68.6	-151	0	0	110.8	S508 L513 C514	S508-E510 PolarHBondContact O-N 2.84Å; E510-L513 PolarHBondContact O-N 3.07Å; E510-C514 WeakPolarHBondContact O-CB 3.49Å; E510-C514 PolarHBondContact O-N 3.3Å; E510-C514 PolarHBondContact O-SG 2.86Å
511	D	85.9	Confident	89.2	Confident	83 Å²	83	74.5 Å²	74.5	44%	0.444	39%	0.39	S	S	.	.	H	α-helix	trans	-65.3	-41.4	175.8	-68.2	-41	0	0	0	111.8	V507 S508 L513 C514 R515	V507-D511 HydrophobicContact CB-CB 4.16Å; V507-D511 HydrophobicContact CG2-CB 4.48Å; S508-D511 PolarHBondContact O-N 3.23Å; S508-D511 WeakPolarHBondContact OG-CB 3.07Å; S508-D511 PolarHBondContact OG-N 3.4Å; S508-D511 PolarHBondContact OG-OD2 2.94Å; D511-L513 VanDerWaalsContact C-N 3.33Å; D511-L513 PolarHBondContact O-N 2.95Å; D511-C514 PolarHBondContact O-N 3.35Å; D511-R515 WeakPolarHBondContact O-CG 3.38Å; D511-R515 PolarHBondContact O-N 3.46Å
512	A	89.4	Confident	89.1	Confident	0 Å²	0	75 Å²	75	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-61	-42.6	175.7	0	0	0	0	0	111.6	V498 I501 V507 S508 K509 R515 L516	V498-A512 HydrophobicContact CG1-CB 4.1Å; I501-A512 HydrophobicContact CB-CB 3.91Å; I501-A512 HydrophobicContact CG2-CB 3.62Å; V507-A512 HydrophobicContact CG2-CB 4.27Å; S508-A512 PolarHBondContact O-N 3.01Å; K509-A512 PolarHBondContact O-N 3.18Å; A512-R515 PolarHBondContact O-N 2.97Å; A512-L516 PolarHBondContact O-N 3.03Å
513	L	89.8	Confident	88.9	Confident	67 Å²	67	76 Å²	76	35%	0.351	40%	0.402	S	S	.	.	H	α-helix	trans	-65.8	-44.2	176.4	-172.8	67.1	0	0	0	111.7	V498 K509 E510 D511 R515 L516 Q517	V498-L513 HydrophobicContact CG2-CD1 4.31Å; K509-L513 WeakPolarHBondContact O-CB 3.32Å; K509-L513 PolarHBondContact O-N 3.5Å; E510-L513 PolarHBondContact O-N 3.07Å; D511-L513 VanDerWaalsContact C-N 3.33Å; D511-L513 PolarHBondContact O-N 2.95Å; L513-R515 VanDerWaalsContact C-N 3.27Å; L513-R515 PolarHBondContact O-N 2.81Å; L513-L516 PolarHBondContact O-N 2.87Å; L513-L516 VanDerWaalsContact O-N 3.12Å; L513-Q517 HydrophobicContact CD1-CG 4.44Å; L513-Q517 HydrophobicContact CG-CG 4.36Å; L513-Q517 WeakPolarHBondContact O-CB 3.41Å; L513-Q517 WeakPolarHBondContact O-CG 3.43Å; L513-Q517 PolarHBondContact O-N 3.05Å
514	C	85.4	Confident	88.8	Confident	78 Å²	78	72.6 Å²	72.6	53%	0.527	39%	0.385	S	S	.	.	H	α-helix	trans	-56.7	-41.6	175	-76	0	0	0	0	111.8	E510 D511 Q517 S518	E510-C514 WeakPolarHBondContact O-CB 3.49Å; E510-C514 PolarHBondContact O-N 3.3Å; E510-C514 PolarHBondContact O-SG 2.86Å; D511-C514 PolarHBondContact O-N 3.35Å; C514-Q517 PolarHBondContact O-N 3.46Å; C514-S518 PolarHBondContact O-N 2.77Å; C514-S518 VanDerWaalsContact O-N 3.12Å
515	R	84.9	Confident	88.9	Confident	101 Å²	101	65 Å²	65	38%	0.381	36%	0.356	S	S	.	.	H	α-helix	trans	-62.8	-46.3	174.8	-70.9	173.5	-175.7	-167.4	1.3	111.5	D505 D511 A512 L513 Q517 S518	D505-R515 IonicContact OD2-NH1 3.63Å; D505-R515 PolarHBondContact OD2-NH1 3.27Å; D511-R515 WeakPolarHBondContact O-CG 3.38Å; D511-R515 PolarHBondContact O-N 3.46Å; A512-R515 PolarHBondContact O-N 2.97Å; L513-R515 VanDerWaalsContact C-N 3.27Å; L513-R515 PolarHBondContact O-N 2.81Å; R515-Q517 VanDerWaalsContact C-N 3.35Å; R515-Q517 PolarHBondContact O-N 2.74Å; R515-S518 PolarHBondContact O-N 2.85Å; R515-S518 PolarHBondContact O-OG 2.94Å
516	L	86.8	Confident	89.2	Confident	19 Å²	19	62.7 Å²	62.7	10%	0.099	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-42.3	179.3	-171.8	64.5	0	0	0	111.9	E494 A497 V498 A512 L513 S518 Q519	E494-L516 HydrophobicContact CB-CD2 3.94Å; E494-L516 HydrophobicContact CG-CD2 4.05Å; A497-L516 HydrophobicContact CB-CD1 4.27Å; A497-L516 HydrophobicContact CB-CD2 4.33Å; V498-L516 HydrophobicContact CG2-CD2 4.28Å; A512-L516 PolarHBondContact O-N 3.03Å; L513-L516 PolarHBondContact O-N 2.87Å; L513-L516 VanDerWaalsContact O-N 3.12Å; L516-S518 VanDerWaalsContact C-N 3.28Å; L516-S518 PolarHBondContact O-N 2.78Å; L516-Q519 PolarHBondContact O-N 2.93Å
517	Q	85.9	Confident	89.3	Confident	140 Å²	140	67.1 Å²	67.1	65%	0.654	34%	0.344	S	S	*	.	H	α-helix	trans	-72.2	-17.3	179.8	-70.4	178.8	-5.1	0	0	114.2	L513 C514 R515 Q519	L513-Q517 HydrophobicContact CD1-CG 4.44Å; L513-Q517 HydrophobicContact CG-CG 4.36Å; L513-Q517 WeakPolarHBondContact O-CB 3.41Å; L513-Q517 WeakPolarHBondContact O-CG 3.43Å; L513-Q517 PolarHBondContact O-N 3.05Å; C514-Q517 PolarHBondContact O-N 3.46Å; R515-Q517 VanDerWaalsContact C-N 3.35Å; R515-Q517 PolarHBondContact O-N 2.74Å; Q517-Q519 PolarHBondContact O-N 3.12Å
518	S	82.3	Confident	89.5	Confident	81 Å²	81	70.5 Å²	70.5	57%	0.566	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-15.4	174.2	74.6	0	0	0	0	113.5	C514 R515 L516	C514-S518 PolarHBondContact O-N 2.77Å; C514-S518 VanDerWaalsContact O-N 3.12Å; R515-S518 PolarHBondContact O-N 2.85Å; R515-S518 PolarHBondContact O-OG 2.94Å; L516-S518 VanDerWaalsContact C-N 3.28Å; L516-S518 PolarHBondContact O-N 2.78Å
519	Q	84.6	Confident	89.7	Confident	32 Å²	32	68.3 Å²	68.3	15%	0.15	34%	0.338	C	S	.	.	S	Bend	trans	-102.4	164.9	177.9	-63.9	-179	-35.1	0	0	110.9	L516 Q517	L516-Q519 PolarHBondContact O-N 2.93Å; Q517-Q519 PolarHBondContact O-N 3.12Å
520	W	89.4	Confident	89.9	Confident	68 Å²	68	62.3 Å²	62.3	26%	0.258	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-63.6	139.2	171	-75	11.1	0	0	0	110.8	L476 E477 K524 Q525 Y528	L476-W520 HydrophobicContact CB-CE3 4.01Å; L476-W520 HydrophobicContact CB-CZ3 3.95Å; E477-W520 HydrophobicContact CG-CD2 4.17Å; E477-W520 HydrophobicContact CG-CG 3.93Å; E477-W520 WeakPolarHBondContact OE1-CB 3.25Å; E477-W520 PolarHBondContact OE1-N 3.11Å; W520-K524 HydrophobicContact CB-CD 4.24Å; W520-K524 HydrophobicContact CD2-CD 3.64Å; W520-K524 HydrophobicContact CD2-CG 4.23Å; W520-K524 HydrophobicContact CE3-CD 3.7Å; W520-K524 HydrophobicContact CE3-CG 3.81Å; W520-K524 HydrophobicContact CG-CD 3.87Å; W520-K524 HydrophobicContact CZ3-CD 4.32Å; W520-K524 HydrophobicContact CZ3-CG 4.37Å; W520-Q525 HydrophobicContact CB-CG 4.06Å; W520-Q525 PolarHBondContact O-NE2 3.33Å; W520-Y528 HydrophobicContact CZ3-CD2 4.16Å; W520-Y528 AromaticContact CZ3-CE2 3.76Å; W520-Y528 HydrophobicContact CZ3-CE2 3.76Å
521	P	90.4	Very high	90.3	Very high	68 Å²	68	56.1 Å²	56.1	44%	0.442	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-62.4	148.8	176	26.3	-33.7	0	0	0	110.5	S523 K524 Q525	P521-S523 PolarHBondContact O-N 3Å; P521-S523 VanDerWaalsContact O-N 3.14Å; P521-K524 HydrophobicContact CG-CB 3.93Å; P521-K524 WeakPolarHBondContact O-CA 3.26Å; P521-K524 WeakPolarHBondContact O-CB 3.23Å; P521-K524 PolarHBondContact O-N 3.08Å; P521-Q525 PolarHBondContact O-N 3.47Å; P521-Q525 VanDerWaalsContact O-N 3.1Å
522	S	90.5	Very high	90.9	Very high	9 Å²	9	52.1 Å²	52.1	6%	0.063	26%	0.263	C	S	.	.	H	α-helix	trans	-50	-41.7	-179.9	55.2	0	0	0	0	112.3	E240 K524 Q525 V526	E240-S522 VanDerWaalsContact CG-OG 3.31Å; E240-S522 WeakPolarHBondContact CG-OG 3.43Å; E240-S522 PolarHBondContact OE1-OG 3.15Å; S522-K524 VanDerWaalsContact C-N 3.25Å; S522-K524 PolarHBondContact O-N 2.88Å; S522-Q525 PolarHBondContact O-N 2.82Å; S522-Q525 VanDerWaalsContact O-N 3.11Å; S522-V526 WeakPolarHBondContact O-CG2 3.34Å; S522-V526 PolarHBondContact O-N 2.9Å
523	S	89.6	Confident	91.3	Very high	60 Å²	60	52.2 Å²	52.2	42%	0.42	26%	0.263	S	S	.	.	H	α-helix	trans	-60.4	-30.4	177.4	62.6	0	0	0	0	113.9	P521	P521-S523 PolarHBondContact O-N 3Å; P521-S523 VanDerWaalsContact O-N 3.14Å
524	K	92.8	Very high	91.7	Very high	79 Å²	79	49 Å²	49	34%	0.343	25%	0.247	S	C	.	.	H	α-helix	trans	-80.2	-40.6	173.6	-173.3	178.2	177.5	-171.1	0	110.8	W520 P521 S522 K527 Y528	W520-K524 HydrophobicContact CB-CD 4.24Å; W520-K524 HydrophobicContact CD2-CD 3.64Å; W520-K524 HydrophobicContact CD2-CG 4.23Å; W520-K524 HydrophobicContact CE3-CD 3.7Å; W520-K524 HydrophobicContact CE3-CG 3.81Å; W520-K524 HydrophobicContact CG-CD 3.87Å; W520-K524 HydrophobicContact CZ3-CD 4.32Å; W520-K524 HydrophobicContact CZ3-CG 4.37Å; P521-K524 HydrophobicContact CG-CB 3.93Å; P521-K524 WeakPolarHBondContact O-CA 3.26Å; P521-K524 WeakPolarHBondContact O-CB 3.23Å; P521-K524 PolarHBondContact O-N 3.08Å; S522-K524 VanDerWaalsContact C-N 3.25Å; S522-K524 PolarHBondContact O-N 2.88Å; K524-K527 WeakPolarHBondContact O-CB 3.31Å; K524-K527 PolarHBondContact O-N 2.75Å; K524-Y528 WeakPolarHBondContact O-CD2 3.49Å
525	Q	94.1	Very high	92.2	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-43.7	178.3	-58.6	-171.2	23.7	0	0	112	L476 V489 W520 P521 S522 K527 Y528 A529	L476-Q525 HydrophobicContact CD1-CB 3.68Å; L476-Q525 HydrophobicContact CD1-CG 3.88Å; V489-Q525 HydrophobicContact CG1-CB 3.89Å; V489-Q525 HydrophobicContact CG2-CB 4.38Å; W520-Q525 HydrophobicContact CB-CG 4.06Å; W520-Q525 PolarHBondContact O-NE2 3.33Å; P521-Q525 PolarHBondContact O-N 3.47Å; P521-Q525 VanDerWaalsContact O-N 3.1Å; S522-Q525 PolarHBondContact O-N 2.82Å; S522-Q525 VanDerWaalsContact O-N 3.11Å; Q525-K527 PolarHBondContact O-N 3.34Å; Q525-Y528 PolarHBondContact O-N 2.95Å; Q525-A529 PolarHBondContact O-N 2.83Å
526	V	94.8	Very high	92.7	Very high	13 Å²	13	43.3 Å²	43.3	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-59.2	-28.6	180	166.4	0	0	0	0	112.9	E240 L241 V489 I491 S522 Y528 A529 V532	E240-V526 HydrophobicContact CB-CB 4.29Å; E240-V526 HydrophobicContact CB-CG1 4.44Å; E240-V526 HydrophobicContact CB-CG2 3.89Å; E240-V526 HydrophobicContact CG-CG2 4.48Å; L241-V526 HydrophobicContact CD2-CG1 3.89Å; V489-V526 HydrophobicContact CG1-CG2 4.49Å; I491-V526 HydrophobicContact CG2-CG2 3.78Å; S522-V526 WeakPolarHBondContact O-CG2 3.34Å; S522-V526 PolarHBondContact O-N 2.9Å; V526-Y528 PolarHBondContact O-N 2.9Å; V526-A529 WeakPolarHBondContact O-CB 3.41Å; V526-A529 PolarHBondContact O-N 2.76Å; V526-A529 VanDerWaalsContact O-N 3.11Å; V526-V532 HydrophobicContact CG1-CG2 4.15Å; V526-V532 HydrophobicContact CG2-CG1 4.44Å; V526-V532 HydrophobicContact CG2-CG2 4.03Å
527	K	93.1	Very high	93	Very high	164 Å²	164	45.8 Å²	45.8	71%	0.713	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.2	174.9	-66.1	179.9	-179	-175.1	0	113.5	K524 Q525	K524-K527 WeakPolarHBondContact O-CB 3.31Å; K524-K527 PolarHBondContact O-N 2.75Å; Q525-K527 PolarHBondContact O-N 3.34Å
528	Y	94.5	Very high	93.3	Very high	99 Å²	99	45.2 Å²	45.2	39%	0.388	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-3.4	177.9	-64	-87.9	0	0	0	112.5	L476 I481 W520 K524 Q525 V526	L476-Y528 HydrophobicContact CD2-CG 4.35Å; I481-Y528 HydrophobicContact CD1-CD1 3.78Å; I481-Y528 HydrophobicContact CD1-CE1 4.34Å; I481-Y528 HydrophobicContact CD1-CG 4.34Å; W520-Y528 HydrophobicContact CZ3-CD2 4.16Å; W520-Y528 AromaticContact CZ3-CE2 3.76Å; W520-Y528 HydrophobicContact CZ3-CE2 3.76Å; K524-Y528 WeakPolarHBondContact O-CD2 3.49Å; Q525-Y528 PolarHBondContact O-N 2.95Å; V526-Y528 PolarHBondContact O-N 2.9Å
529	A	96.6	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.			trans	-74.8	135	-177.5	0	0	0	0	0	111.3	N347 V489 Q525 V526 V532	N347-A529 PolarHBondContact ND2-O 3.28Å; V489-A529 HydrophobicContact CB-CB 4.03Å; V489-A529 HydrophobicContact CG2-CB 3.54Å; Q525-A529 PolarHBondContact O-N 2.83Å; V526-A529 WeakPolarHBondContact O-CB 3.41Å; V526-A529 PolarHBondContact O-N 2.76Å; V526-A529 VanDerWaalsContact O-N 3.11Å; A529-V532 HydrophobicContact CB-CG2 3.57Å
530	N	97.8	Very high	94.2	Very high	15 Å²	15	48 Å²	48	8%	0.08	24%	0.239	C	C	.	.	S	Bend	trans	-83.4	-38.8	161.8	-62	100	0	0	0	110.2	L345 L346 N347 P348 E486 V487	L345-N530 CarbonylContact C-O 3.52Å; L345-N530 WeakPolarHBondContact CA-O 3.46Å; L345-N530 HydrophobicContact CD1-CB 4Å; L346-N530 PolarHBondContact N-O 2.91Å; N347-N530 PolarHBondContact O-ND2 2.9Å; P348-N530 PolarHBondContact O-ND2 3.38Å; P348-N530 VanDerWaalsContact O-ND2 3.14Å; E486-N530 WeakPolarHBondContact CA-OD1 3.39Å; E486-N530 HydrophobicContact CB-CB 4Å; E486-N530 HydrophobicContact CG-CB 3.92Å; V487-N530 PolarHBondContact N-OD1 3.07Å; V487-N530 PolarHBondContact O-N 3.3Å
531	V	98.3	Very high	94.3	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	140.3	176.8	179.6	0	0	0	0	109.2	L345 V487 W488 V489 L533 A549	L345-V531 HydrophobicContact CD1-CG2 4.35Å; V487-V531 PolarHBondContact O-N 3.2Å; W488-V531 VanDerWaalsContact CA-O 3.31Å; W488-V531 WeakPolarHBondContact CA-O 3.42Å; W488-V531 HydrophobicContact CD2-CB 3.96Å; W488-V531 HydrophobicContact CD2-CG1 4.17Å; W488-V531 HydrophobicContact CD2-CG2 4.36Å; W488-V531 HydrophobicContact CE3-CG1 4.48Å; W488-V531 HydrophobicContact CG-CB 3.83Å; W488-V531 HydrophobicContact CG-CG1 4.44Å; W488-V531 HydrophobicContact CG-CG2 4.43Å; W488-V531 HydrophobicContact CZ2-CG2 4.28Å; V489-V531 PolarHBondContact N-O 2.95Å; V531-L533 HydrophobicContact CG1-CG 4.46Å; V531-A549 HydrophobicContact CG1-CB 4.18Å
532	V	98.2	Very high	94.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.9	173.7	177.9	0	0	0	0	109.6	L241 L342 G343 L346 V489 I491 V526 A529	L241-V532 HydrophobicContact CD2-CB 4.27Å; L241-V532 HydrophobicContact CD2-CG1 4.29Å; L241-V532 HydrophobicContact CD2-CG2 4.17Å; L342-V532 WeakPolarHBondContact CA-O 3.22Å; L342-V532 HydrophobicContact CD2-CB 4.33Å; L342-V532 HydrophobicContact CD2-CG1 3.83Å; G343-V532 PolarHBondContact N-O 3.13Å; L346-V532 HydrophobicContact CD1-CB 4.03Å; L346-V532 HydrophobicContact CD1-CG2 3.52Å; V489-V532 WeakPolarHBondContact O-CA 3.39Å; I491-V532 HydrophobicContact CD1-CG1 3.6Å; I491-V532 HydrophobicContact CG1-CG1 3.74Å; I491-V532 HydrophobicContact CG2-CG1 4.32Å; V526-V532 HydrophobicContact CG1-CG2 4.15Å; V526-V532 HydrophobicContact CG2-CG1 4.44Å; V526-V532 HydrophobicContact CG2-CG2 4.03Å; A529-V532 HydrophobicContact CB-CG2 3.57Å
533	L	98	Very high	94.8	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	155.2	176	-62.8	171.8	0	0	0	109.6	V375 W488 V489 I490 I491 V531 Q545 V546 A549	V375-L533 HydrophobicContact CG1-CD1 3.69Å; W488-L533 HydrophobicContact CE3-CD1 3.87Å; W488-L533 HydrophobicContact CZ3-CD1 4.24Å; V489-L533 PolarHBondContact O-N 3.45Å; I490-L533 WeakPolarHBondContact CA-O 3.37Å; I491-L533 PolarHBondContact N-O 3.49Å; V531-L533 HydrophobicContact CG1-CG 4.46Å; L533-Q545 HydrophobicContact CD2-CB 3.75Å; L533-V546 HydrophobicContact CD1-CG2 4.17Å; L533-A549 HydrophobicContact CD2-CB 4.33Å
534	S	96.9	Very high	95.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.2	175.2	175.7	0	0	0	0	111.5	I491 L536 Q545	I491-S534 WeakPolarHBondContact O-CA 3.4Å; I491-S534 PolarHBondContact O-OG 3.2Å; S534-L536 WeakPolarHBondContact OG-CB 3.19Å; S534-L536 PolarHBondContact OG-N 3.22Å; S534-Q545 PolarHBondContact O-NE2 2.81Å; S534-Q545 PolarHBondContact O-OE1 3.39Å
535	T	96.8	Very high	95.4	Very high	11 Å²	11	45.7 Å²	45.7	7%	0.067	21%	0.214	C	C	.	.			trans	-106	21.9	174.2	67.1	0	0	0	0	112	S370 V375 I490 I492 R500 T542	S370-T535 WeakPolarHBondContact O-CG2 3.5Å; S370-T535 PolarHBondContact O-OG1 3.02Å; V375-T535 HydrophobicContact CG2-CG2 4.04Å; I490-T535 HydrophobicContact CG2-CG2 3.79Å; I492-T535 WeakPolarHBondContact CG2-OG1 3.43Å; R500-T535 PolarHBondContact NH1-O 3.11Å; R500-T535 PolarHBondContact NH1-OG1 3.01Å; R500-T535 PolarHBondContact NH2-O 3.27Å; T535-T542 HydrophobicContact CG2-CG2 3.92Å
536	L	94.6	Very high	95.5	Very high	49 Å²	49	45.7 Å²	45.7	26%	0.257	21%	0.214	S	C	.	.	S	Bend	trans	-65.9	-39.5	-177.6	178.2	57.3	0	0	0	112.5	I492 P493 E496 S534	I492-L536 HydrophobicContact CG2-CB 4.43Å; P493-L536 HydrophobicContact CG-CD1 4Å; P493-L536 HydrophobicContact CG-CD2 4.06Å; E496-L536 HydrophobicContact CG-CD1 4.18Å; S534-L536 WeakPolarHBondContact OG-CB 3.19Å; S534-L536 PolarHBondContact OG-N 3.22Å
537	W	94	Very high	95.7	Very high	70 Å²	70	47.5 Å²	47.5	27%	0.265	22%	0.223	S	C	.	.	S	Bend	trans	-93.8	-171.9	-177	-56	-80.2	0	0	0	112.2	V237 L238 L342 V541	V237-W537 HydrophobicContact CG1-CZ2 4.13Å; L238-W537 HydrophobicContact CD1-CH2 4.07Å; L238-W537 HydrophobicContact CD2-CH2 4.38Å; L238-W537 HydrophobicContact CG-CH2 4.35Å; L342-W537 HydrophobicContact CD1-CH2 4.14Å; L342-W537 HydrophobicContact CD1-CZ3 3.69Å; W537-V541 HydrophobicContact CB-CB 3.84Å; W537-V541 HydrophobicContact CB-CG1 3.99Å; W537-V541 HydrophobicContact CB-CG2 3.77Å; W537-V541 HydrophobicContact CD2-CG1 4.37Å; W537-V541 HydrophobicContact CE3-CG1 4.03Å; W537-V541 HydrophobicContact CG-CG1 4.4Å
538	E	92.4	Very high	95.9	Very high	129 Å²	129	43.4 Å²	43.4	60%	0.603	21%	0.205	S	C	*	.			trans	-55.9	153.8	179.4	-56.2	85.4	172.6	0	0	112.1	E540 V541 T542	E538-E540 PolarHBondContact O-N 3.42Å; E538-E540 VanDerWaalsContact O-N 3.1Å; E538-V541 HydrophobicContact CB-CG2 4.28Å; E538-V541 WeakPolarHBondContact O-CB 3.47Å; E538-V541 PolarHBondContact O-N 2.86Å; E538-V541 WeakPolarHBondContact OE2-CG2 3.34Å; E538-T542 PolarHBondContact O-N 3.39Å
539	S	91.8	Very high	96.1	Very high	96 Å²	96	38.7 Å²	38.7	67%	0.671	19%	0.187	S	C	*	.	H	α-helix	trans	-53.6	-35.4	-177.9	56.4	0	0	0	0	113	V541 T542 R543	S539-V541 PolarHBondContact O-N 2.84Å; S539-T542 WeakPolarHBondContact O-CB 3.35Å; S539-T542 PolarHBondContact O-N 2.8Å; S539-R543 PolarHBondContact O-N 2.97Å
540	E	93.2	Very high	96.2	Very high	75 Å²	75	40 Å²	40	35%	0.35	19%	0.192	S	C	.	.	H	α-helix	trans	-64	-37.8	177.2	-178.3	52.7	-150.4	0	0	112.6	E538 T542 R543 K544	E538-E540 PolarHBondContact O-N 3.42Å; E538-E540 VanDerWaalsContact O-N 3.1Å; E540-T542 VanDerWaalsContact C-N 3.34Å; E540-R543 WeakPolarHBondContact O-CB 3.19Å; E540-R543 PolarHBondContact O-N 3.45Å; E540-R543 IonicContact OE1-CZ 2.72Å; E540-R543 IonicContact OE1-NE 2.67Å; E540-R543 PolarHBondContact OE1-NE 2.83Å; E540-R543 IonicContact OE1-NH2 2.74Å; E540-R543 PolarHBondContact OE1-NH2 2.95Å; E540-R543 IonicContact OE2-CZ 3.68Å; E540-R543 IonicContact OE2-NE 2.57Å; E540-R543 PolarHBondContact OE2-NE 2.86Å; E540-R543 IonicContact OE2-NH2 3.9Å; E540-R543 PolarHBondContact OE2-NH2 2.71Å; E540-K544 WeakPolarHBondContact O-CG 3.49Å; E540-K544 PolarHBondContact O-N 2.93Å; E540-K544 WeakPolarHBondContact OE1-CE 3.45Å
541	V	92.9	Very high	96.2	Very high	16 Å²	16	43.6 Å²	43.6	10%	0.097	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-43.2	175.4	-172.4	0	0	0	0	110.4	I327 W537 E538 S539 R543 K544 Q545	I327-V541 HydrophobicContact CD1-CB 4.15Å; I327-V541 HydrophobicContact CD1-CG1 3.89Å; I327-V541 HydrophobicContact CD1-CG2 3.43Å; I327-V541 VanDerWaalsContact CD1-CG2 3.43Å; I327-V541 HydrophobicContact CG1-CG2 4.17Å; W537-V541 HydrophobicContact CB-CB 3.84Å; W537-V541 HydrophobicContact CB-CG1 3.99Å; W537-V541 HydrophobicContact CB-CG2 3.77Å; W537-V541 HydrophobicContact CD2-CG1 4.37Å; W537-V541 HydrophobicContact CE3-CG1 4.03Å; W537-V541 HydrophobicContact CG-CG1 4.4Å; E538-V541 HydrophobicContact CB-CG2 4.28Å; E538-V541 WeakPolarHBondContact O-CB 3.47Å; E538-V541 PolarHBondContact O-N 2.86Å; E538-V541 WeakPolarHBondContact OE2-CG2 3.34Å; S539-V541 PolarHBondContact O-N 2.84Å; V541-R543 VanDerWaalsContact C-N 3.33Å; V541-R543 PolarHBondContact O-N 2.96Å; V541-K544 PolarHBondContact O-N 3.27Å; V541-Q545 WeakPolarHBondContact O-CG 3.47Å; V541-Q545 PolarHBondContact O-N 2.88Å; V541-Q545 PolarHBondContact O-NE2 3.48Å
542	T	95.4	Very high	96.2	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-44	174.9	-56.2	0	0	0	0	110.5	V375 T535 E538 S539 E540 K544 Q545 V546	V375-T542 HydrophobicContact CG2-CG2 4.08Å; T535-T542 HydrophobicContact CG2-CG2 3.92Å; E538-T542 PolarHBondContact O-N 3.39Å; S539-T542 WeakPolarHBondContact O-CB 3.35Å; S539-T542 PolarHBondContact O-N 2.8Å; E540-T542 VanDerWaalsContact C-N 3.34Å; T542-K544 PolarHBondContact O-N 3.45Å; T542-Q545 WeakPolarHBondContact O-CB 3.39Å; T542-Q545 PolarHBondContact O-N 2.81Å; T542-Q545 VanDerWaalsContact O-N 3.14Å; T542-V546 HydrophobicContact CG2-CG2 4.36Å; T542-V546 WeakPolarHBondContact O-CG2 3.32Å; T542-V546 PolarHBondContact O-N 3.14Å
543	R	96	Very high	96.1	Very high	108 Å²	108	46.4 Å²	46.4	41%	0.408	23%	0.226	S	C	.	.	H	α-helix	trans	-59.7	-44.6	179	-169.3	-174.3	71.3	86.6	-0.6	112.2	S539 E540 V541 Q545 V546 L547	S539-R543 PolarHBondContact O-N 2.97Å; E540-R543 WeakPolarHBondContact O-CB 3.19Å; E540-R543 PolarHBondContact O-N 3.45Å; E540-R543 IonicContact OE1-CZ 2.72Å; E540-R543 IonicContact OE1-NE 2.67Å; E540-R543 PolarHBondContact OE1-NE 2.83Å; E540-R543 IonicContact OE1-NH2 2.74Å; E540-R543 PolarHBondContact OE1-NH2 2.95Å; E540-R543 IonicContact OE2-CZ 3.68Å; E540-R543 IonicContact OE2-NE 2.57Å; E540-R543 PolarHBondContact OE2-NE 2.86Å; E540-R543 IonicContact OE2-NH2 3.9Å; E540-R543 PolarHBondContact OE2-NH2 2.71Å; V541-R543 VanDerWaalsContact C-N 3.33Å; V541-R543 PolarHBondContact O-N 2.96Å; R543-Q545 VanDerWaalsContact C-N 3.32Å; R543-Q545 PolarHBondContact O-N 3.48Å; R543-V546 PolarHBondContact O-N 2.98Å; R543-L547 HydrophobicContact CG-CD1 4.27Å; R543-L547 VanDerWaalsContact NH1-CD1 3.25Å; R543-L547 WeakPolarHBondContact O-CB 3.12Å; R543-L547 WeakPolarHBondContact O-CG 3.39Å; R543-L547 PolarHBondContact O-N 3.49Å
544	K	96.1	Very high	96	Very high	90 Å²	90	50.5 Å²	50.5	39%	0.391	25%	0.245	S	C	.	.	H	α-helix	trans	-58.8	-42.7	174.7	-71.7	177.5	-178.8	178.1	0	111.5	E326 E540 V541 T542 K548	E326-K544 IonicContact OE2-NZ 3.37Å; E540-K544 WeakPolarHBondContact O-CG 3.49Å; E540-K544 PolarHBondContact O-N 2.93Å; E540-K544 WeakPolarHBondContact OE1-CE 3.45Å; V541-K544 PolarHBondContact O-N 3.27Å; T542-K544 PolarHBondContact O-N 3.45Å; K544-K548 WeakPolarHBondContact O-CB 3.26Å; K544-K548 PolarHBondContact O-N 3.46Å
545	Q	97.3	Very high	95.9	Very high	15 Å²	15	58.7 Å²	58.7	7%	0.07	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-45.7	176.2	-64.9	170	51.8	0	0	112.4	L342 L533 S534 V541 T542 R543 K548 A549	L342-Q545 HydrophobicContact CB-CG 4.1Å; L533-Q545 HydrophobicContact CD2-CB 3.75Å; S534-Q545 PolarHBondContact O-NE2 2.81Å; S534-Q545 PolarHBondContact O-OE1 3.39Å; V541-Q545 WeakPolarHBondContact O-CG 3.47Å; V541-Q545 PolarHBondContact O-N 2.88Å; V541-Q545 PolarHBondContact O-NE2 3.48Å; T542-Q545 WeakPolarHBondContact O-CB 3.39Å; T542-Q545 PolarHBondContact O-N 2.81Å; T542-Q545 VanDerWaalsContact O-N 3.14Å; R543-Q545 VanDerWaalsContact C-N 3.32Å; R543-Q545 PolarHBondContact O-N 3.48Å; Q545-K548 PolarHBondContact O-N 2.78Å; Q545-A549 WeakPolarHBondContact O-CB 3.45Å; Q545-A549 PolarHBondContact O-N 3.13Å
546	V	97.9	Very high	95.7	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-44.3	179.7	173.9	0	0	0	0	111.1	V375 Q378 L379 L382 L533 T542 R543 K548 A549 W550	V375-V546 HydrophobicContact CG1-CG2 3.97Å; V375-V546 HydrophobicContact CG2-CG2 4.34Å; Q378-V546 HydrophobicContact CB-CG1 4.06Å; L379-V546 HydrophobicContact CD2-CG1 3.9Å; L379-V546 HydrophobicContact CG-CG1 4.2Å; L382-V546 HydrophobicContact CD1-CG1 4.02Å; L533-V546 HydrophobicContact CD1-CG2 4.17Å; T542-V546 HydrophobicContact CG2-CG2 4.36Å; T542-V546 WeakPolarHBondContact O-CG2 3.32Å; T542-V546 PolarHBondContact O-N 3.14Å; R543-V546 PolarHBondContact O-N 2.98Å; V546-K548 PolarHBondContact O-N 2.72Å; V546-A549 PolarHBondContact O-N 3.3Å; V546-W550 WeakPolarHBondContact O-CB 3.49Å; V546-W550 PolarHBondContact O-N 3.28Å
547	L	98.1	Very high	95.6	Very high	50 Å²	50	64.2 Å²	64.2	26%	0.262	30%	0.303	S	S	.	.	H	α-helix	trans	-61.8	-43.5	176	-76	173.9	0	0	0	112.2	L382 R543 W550 N551	L382-L547 HydrophobicContact CD1-CD2 4.12Å; L382-L547 HydrophobicContact CD2-CD2 3.71Å; R543-L547 HydrophobicContact CG-CD1 4.27Å; R543-L547 VanDerWaalsContact NH1-CD1 3.25Å; R543-L547 WeakPolarHBondContact O-CB 3.12Å; R543-L547 WeakPolarHBondContact O-CG 3.39Å; R543-L547 PolarHBondContact O-N 3.49Å; L547-W550 PolarHBondContact O-N 3.48Å; L547-N551 WeakPolarHBondContact O-CB 3.28Å; L547-N551 PolarHBondContact O-N 3.03Å; L547-N551 PolarHBondContact O-ND2 3.03Å
548	K	97.8	Very high	95.7	Very high	78 Å²	78	63.9 Å²	63.9	34%	0.339	31%	0.305	S	S	.	.	H	α-helix	trans	-58.7	-48.7	174.9	-180	-177.9	175.3	-170.7	0	111.1	R340 L342 T344 K544 Q545 V546 W550 N551 L552	R340-K548 PolarHBondContact O-NZ 3.21Å; L342-K548 PolarHBondContact O-NZ 3.47Å; T344-K548 VanDerWaalsContact CG2-CE 3.42Å; T344-K548 VanDerWaalsContact CG2-NZ 3.35Å; K544-K548 WeakPolarHBondContact O-CB 3.26Å; K544-K548 PolarHBondContact O-N 3.46Å; Q545-K548 PolarHBondContact O-N 2.78Å; V546-K548 PolarHBondContact O-N 2.72Å; K548-W550 PolarHBondContact O-N 3.36Å; K548-N551 PolarHBondContact O-N 2.66Å; K548-L552 HydrophobicContact CG-CD1 4.16Å; K548-L552 WeakPolarHBondContact O-CB 3.25Å; K548-L552 WeakPolarHBondContact O-CG 3.41Å; K548-L552 PolarHBondContact O-N 3.11Å
549	A	98.3	Very high	95.9	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-44.2	178.9	0	0	0	0	0	112.3	G343 W488 V531 L533 Q545 V546 L552 L553	G343-A549 WeakPolarHBondContact O-CA 3.26Å; G343-A549 PolarHBondContact O-N 2.88Å; W488-A549 HydrophobicContact CE3-CB 4.48Å; W488-A549 HydrophobicContact CH2-CB 3.39Å; W488-A549 HydrophobicContact CZ2-CB 4.12Å; W488-A549 HydrophobicContact CZ3-CB 3.59Å; V531-A549 HydrophobicContact CG1-CB 4.18Å; L533-A549 HydrophobicContact CD2-CB 4.33Å; Q545-A549 WeakPolarHBondContact O-CB 3.45Å; Q545-A549 PolarHBondContact O-N 3.13Å; V546-A549 PolarHBondContact O-N 3.3Å; A549-L552 PolarHBondContact O-N 2.81Å; A549-L553 WeakPolarHBondContact O-CB 3.25Å; A549-L553 PolarHBondContact O-N 3.2Å
550	W	98.3	Very high	96.1	Very high	26 Å²	26	58.5 Å²	58.5	10%	0.098	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-49.3	176.7	-176.6	-101.7	0	0	0	112.1	L379 L382 A384 V467 V546 L547 K548 L552 L553 Q554	L379-W550 HydrophobicContact CD2-CE3 3.78Å; L379-W550 HydrophobicContact CD2-CZ3 4.28Å; L382-W550 HydrophobicContact CB-CD2 4.03Å; L382-W550 HydrophobicContact CB-CG 4.34Å; L382-W550 HydrophobicContact CB-CZ2 4.19Å; L382-W550 HydrophobicContact CD1-CB 3.88Å; L382-W550 HydrophobicContact CD1-CD2 4.17Å; L382-W550 HydrophobicContact CD1-CG 3.79Å; L382-W550 VanDerWaalsContact O-CZ2 3.26Å; L382-W550 WeakPolarHBondContact O-CZ2 3.1Å; A384-W550 HydrophobicContact CB-CH2 4.04Å; A384-W550 HydrophobicContact CB-CZ3 3.99Å; V467-W550 HydrophobicContact CB-CH2 3.92Å; V467-W550 HydrophobicContact CB-CZ3 4.22Å; V467-W550 HydrophobicContact CG1-CH2 4.12Å; V467-W550 HydrophobicContact CG1-CZ3 3.89Å; V467-W550 HydrophobicContact CG2-CH2 3.89Å; V467-W550 HydrophobicContact CG2-CZ3 4.29Å; V546-W550 WeakPolarHBondContact O-CB 3.49Å; V546-W550 PolarHBondContact O-N 3.28Å; L547-W550 PolarHBondContact O-N 3.48Å; K548-W550 PolarHBondContact O-N 3.36Å; W550-L552 VanDerWaalsContact C-N 3.32Å; W550-L552 PolarHBondContact O-N 2.88Å; W550-L553 HydrophobicContact CE3-CD2 4.2Å; W550-L553 HydrophobicContact CZ3-CD2 4.27Å; W550-L553 WeakPolarHBondContact O-CA 3.32Å; W550-L553 VanDerWaalsContact O-CB 3.32Å; W550-L553 WeakPolarHBondContact O-CB 3.4Å; W550-L553 PolarHBondContact O-N 3.33Å; W550-Q554 VanDerWaalsContact CZ2-NE2 3.28Å; W550-Q554 WeakPolarHBondContact O-CG 3.14Å; W550-Q554 PolarHBondContact O-N 3.2Å
551	N	98	Very high	96.3	Very high	91 Å²	91	57.5 Å²	57.5	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-63.2	-39	179.8	-70.8	-21.3	0	0	0	112.1	L547 K548 L553 K555	L547-N551 WeakPolarHBondContact O-CB 3.28Å; L547-N551 PolarHBondContact O-N 3.03Å; L547-N551 PolarHBondContact O-ND2 3.03Å; K548-N551 PolarHBondContact O-N 2.66Å; N551-L553 VanDerWaalsContact C-N 3.3Å; N551-K555 WeakPolarHBondContact O-CG 3.43Å; N551-K555 PolarHBondContact O-N 3.32Å
552	L	97.4	Very high	96.5	Very high	60 Å²	60	60.1 Å²	60.1	31%	0.314	27%	0.274	S	S	.	.	H	α-helix	trans	-67.3	-33.3	173.5	-71.4	174.1	0	0	0	111.8	T344 K548 A549 W550 R556	T344-L552 HydrophobicContact CG2-CD1 4.38Å; K548-L552 HydrophobicContact CG-CD1 4.16Å; K548-L552 WeakPolarHBondContact O-CB 3.25Å; K548-L552 WeakPolarHBondContact O-CG 3.41Å; K548-L552 PolarHBondContact O-N 3.11Å; A549-L552 PolarHBondContact O-N 2.81Å; W550-L552 VanDerWaalsContact C-N 3.32Å; W550-L552 PolarHBondContact O-N 2.88Å; L552-R556 PolarHBondContact O-NH1 3.41Å
553	L	96.7	Very high	96.5	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-50.6	175.6	176.6	71.2	0	0	0	110.7	Y360 I362 V467 W488 A549 W550 N551 K555 R556 I557	Y360-L553 HydrophobicContact CD1-CD1 3.8Å; Y360-L553 HydrophobicContact CE1-CD1 3.55Å; I362-L553 HydrophobicContact CD1-CD2 3.58Å; I362-L553 HydrophobicContact CG1-CD2 4.39Å; V467-L553 HydrophobicContact CG1-CD2 4.35Å; W488-L553 HydrophobicContact CZ2-CB 4.42Å; W488-L553 HydrophobicContact CZ2-CD2 4.31Å; A549-L553 WeakPolarHBondContact O-CB 3.25Å; A549-L553 PolarHBondContact O-N 3.2Å; W550-L553 HydrophobicContact CE3-CD2 4.2Å; W550-L553 HydrophobicContact CZ3-CD2 4.27Å; W550-L553 WeakPolarHBondContact O-CA 3.32Å; W550-L553 VanDerWaalsContact O-CB 3.32Å; W550-L553 WeakPolarHBondContact O-CB 3.4Å; W550-L553 PolarHBondContact O-N 3.33Å; N551-L553 VanDerWaalsContact C-N 3.3Å; L553-K555 PolarHBondContact O-N 3.06Å; L553-K555 VanDerWaalsContact O-N 3.08Å; L553-R556 VanDerWaalsContact CA-CZ 3.43Å; L553-R556 VanDerWaalsContact O-CG 3.26Å; L553-R556 WeakPolarHBondContact O-CG 3.49Å; L553-R556 PolarHBondContact O-N 3.19Å; L553-I557 HydrophobicContact CD1-CG2 3.66Å; L553-I557 HydrophobicContact CG-CD1 4.23Å; L553-I557 HydrophobicContact CG-CG2 4.22Å; L553-I557 PolarHBondContact O-N 3.04Å
554	Q	96	Very high	96.6	Very high	87 Å²	87	60.6 Å²	60.6	41%	0.407	28%	0.281	S	S	.	.	H	α-helix	trans	-59	-24.6	179.7	-64.8	-58.6	-47.9	0	0	113.5	W550	W550-Q554 VanDerWaalsContact CZ2-NE2 3.28Å; W550-Q554 WeakPolarHBondContact O-CG 3.14Å; W550-Q554 PolarHBondContact O-N 3.2Å
555	K	95.6	Very high	96.6	Very high	172 Å²	172	58.3 Å²	58.3	75%	0.748	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-20.5	175.8	-71.7	176.6	-177.5	-174.7	0	114.1	N551 L553	N551-K555 WeakPolarHBondContact O-CG 3.43Å; N551-K555 PolarHBondContact O-N 3.32Å; L553-K555 PolarHBondContact O-N 3.06Å; L553-K555 VanDerWaalsContact O-N 3.08Å
556	R	92.9	Very high	96.5	Very high	76 Å²	76	61.9 Å²	61.9	29%	0.287	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-3.5	-172.8	68.6	175.8	175.9	-88.5	2.4	114.2	E486 L552 L553	E486-R556 VanDerWaalsContact CD-NH2 3.34Å; E486-R556 IonicContact OE1-CZ 3.87Å; E486-R556 IonicContact OE1-NE 2.71Å; E486-R556 PolarHBondContact OE1-NE 3.5Å; E486-R556 IonicContact OE1-NH2 3.67Å; E486-R556 PolarHBondContact OE1-NH2 3.13Å; E486-R556 VanDerWaalsContact OE1-NH2 3.17Å; E486-R556 IonicContact OE2-CZ 3.38Å; E486-R556 IonicContact OE2-NE 2.77Å; E486-R556 IonicContact OE2-NH2 3.17Å; E486-R556 PolarHBondContact OE2-NH2 3.26Å; L552-R556 PolarHBondContact O-NH1 3.41Å; L553-R556 VanDerWaalsContact CA-CZ 3.43Å; L553-R556 VanDerWaalsContact O-CG 3.26Å; L553-R556 WeakPolarHBondContact O-CG 3.49Å; L553-R556 PolarHBondContact O-N 3.19Å
557	I	91.6	Very high	96.4	Very high	100 Å²	100	67.4 Å²	67.4	51%	0.513	32%	0.315	S	S	.	.			trans	-108.7	0	177.5	67.7	174	0	0	0	112	Y360 V467 L553	Y360-I557 HydrophobicContact CD1-CG2 3.98Å; Y360-I557 HydrophobicContact CD2-CB 4.28Å; Y360-I557 HydrophobicContact CD2-CG2 3.52Å; Y360-I557 HydrophobicContact CE1-CG2 4.06Å; Y360-I557 HydrophobicContact CE2-CG2 3.64Å; Y360-I557 HydrophobicContact CG-CB 4.48Å; Y360-I557 HydrophobicContact CG-CG2 3.67Å; V467-I557 HydrophobicContact CG2-CD1 3.83Å; L553-I557 HydrophobicContact CD1-CG2 3.66Å; L553-I557 HydrophobicContact CG-CD1 4.23Å; L553-I557 HydrophobicContact CG-CG2 4.22Å; L553-I557 PolarHBondContact O-N 3.04Å

Retrieved 557 of 557 residues in 1039.8 ms (Link to these results)

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