A0A076J9C2_HUMAN Loading...

MHC class II antigen

AlphaFold DB , UniProt , Accession A0A076J9C2, Species HUMAN (Homo sapiens, Human), Gene HLA-DPB1, Length 258 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	45.5	Very low	232 Å²	232	140.7 Å²	140.7	100%	1.143	77%	0.774	S	S	*	*				0	108.9	0	-150.5	165.2	80.7	0	0	107.1
2	M	31.8	Very low	46.6	Very low	175 Å²	175	137 Å²	137	86%	0.862	76%	0.758	S	S	*	*			trans	-64.6	133	173.5	-89.9	162.9	134.3	0	0	109.2
3	V	35.7	Very low	48	Very low	125 Å²	125	134 Å²	134	76%	0.758	75%	0.746	S	S	*	*			trans	-115.9	106.2	154	-178.6	0	0	0	0	105.7	Q5	V3-Q5 PolarHBondContact O-N 2.92Å
4	L	38.5	Very low	49.4	Very low	132 Å²	132	128.5 Å²	128.5	69%	0.691	73%	0.726	S	S	*	*			trans	-65.2	119	167.5	-93	99	0	0	0	108.3	V6	L4-V6 HydrophobicContact CD2-CG2 4.45Å
5	Q	38.7	Very low	50.6	Low	191 Å²	191	127.7 Å²	127.7	89%	0.893	72%	0.719	S	S	*	*			trans	-95.2	110.5	151.4	-85.1	-169.9	-50.2	0	0	108.3	V3 S7	V3-Q5 PolarHBondContact O-N 2.92Å; Q5-S7 PolarHBondContact O-N 2.79Å
6	V	44	Very low	51.7	Low	113 Å²	113	127.3 Å²	127.3	69%	0.685	71%	0.711	S	S	*	*			trans	-73.2	110.5	177	175.3	0	0	0	0	108.6	L4 A8	L4-V6 HydrophobicContact CD2-CG2 4.45Å; V6-A8 VanDerWaalsContact C-N 3.31Å; V6-A8 HydrophobicContact CG1-CB 3.67Å; V6-A8 PolarHBondContact O-N 3.34Å
7	S	46.2	Very low	52.6	Low	116 Å²	116	122.9 Å²	122.9	81%	0.811	70%	0.695	S	S	*	*			trans	-88.6	65.5	169.4	57.2	0	0	0	0	111	Q5 A9	Q5-S7 PolarHBondContact O-N 2.79Å; S7-A9 PolarHBondContact O-N 3.13Å
8	A	56.4	Low	53.3	Low	80 Å²	80	122.5 Å²	122.5	66%	0.661	69%	0.69	S	S	*	*			trans	-93.2	83.1	175.6	0	0	0	0	0	110.5	V6	V6-A8 VanDerWaalsContact C-N 3.31Å; V6-A8 HydrophobicContact CG1-CB 3.67Å; V6-A8 PolarHBondContact O-N 3.34Å
9	A	55.8	Low	53.9	Low	66 Å²	66	120.7 Å²	120.7	55%	0.545	68%	0.678	S	S	.	*			trans	-155	-5.5	175.6	0	0	0	0	0	120.3	S7 V13	S7-A9 PolarHBondContact O-N 3.13Å; A9-V13 WeakPolarHBondContact O-CG2 3.35Å
10	P	57.2	Low	54.5	Low	97 Å²	97	121 Å²	121	63%	0.63	68%	0.675	S	S	*	*	S	Bend	trans	-97.4	-36.7	178.3	24.5	-17.6	0	0	0	114	A14	P10-A14 WeakPolarHBondContact O-CB 3.3Å; P10-A14 PolarHBondContact O-N 3.17Å
11	R	57.7	Low	54.9	Low	221 Å²	221	120.3 Å²	120.3	83%	0.834	67%	0.674	S	S	*	*	H	α-helix	trans	-79.3	-35.8	-170.7	-73.4	-175.7	176.5	158	-0.7	114	A14 L15	R11-A14 PolarHBondContact O-N 3.35Å; R11-L15 WeakPolarHBondContact O-CB 3.16Å; R11-L15 PolarHBondContact O-N 3.19Å
12	T	59.3	Low	55.9	Low	96 Å²	96	115.6 Å²	115.6	59%	0.589	65%	0.653	S	S	*	*	H	α-helix	trans	-70.4	-38.6	178.4	45.9	0	0	0	0	111.6	L15 M16	T12-L15 PolarHBondContact O-N 3.16Å; T12-M16 WeakPolarHBondContact O-CB 3.19Å; T12-M16 WeakPolarHBondContact O-CG 3.47Å; T12-M16 PolarHBondContact O-N 3.25Å
13	V	64.4	Low	57.3	Low	98 Å²	98	113.2 Å²	113.2	59%	0.594	64%	0.642	S	S	*	*	H	α-helix	trans	-64.3	-44.4	174.5	-178.8	0	0	0	0	110.6	A9 M16 A17	A9-V13 WeakPolarHBondContact O-CG2 3.35Å; V13-M16 PolarHBondContact O-N 2.99Å; V13-A17 VanDerWaalsContact O-CB 3.28Å; V13-A17 WeakPolarHBondContact O-CB 3.42Å; V13-A17 PolarHBondContact O-N 3.33Å
14	A	67.1	Low	58.4	Low	57 Å²	57	111.4 Å²	111.4	47%	0.471	63%	0.632	S	S	.	*	H	α-helix	trans	-63.2	-42.5	176.6	0	0	0	0	0	112.4	P10 R11 A17 L18	P10-A14 WeakPolarHBondContact O-CB 3.3Å; P10-A14 PolarHBondContact O-N 3.17Å; R11-A14 PolarHBondContact O-N 3.35Å; A14-A17 PolarHBondContact O-N 3.02Å; A14-L18 WeakPolarHBondContact O-CB 3.44Å; A14-L18 PolarHBondContact O-N 3.17Å
15	L	67.7	Low	59.4	Low	117 Å²	117	109.8 Å²	109.8	61%	0.613	63%	0.631	S	S	*	*	H	α-helix	trans	-68.1	-41.6	179.4	-154.1	88.7	0	0	0	111.8	R11 T12 L18 L19	R11-L15 WeakPolarHBondContact O-CB 3.16Å; R11-L15 PolarHBondContact O-N 3.19Å; T12-L15 PolarHBondContact O-N 3.16Å; L15-L18 PolarHBondContact O-N 3.38Å; L15-L19 WeakPolarHBondContact O-CB 3.2Å; L15-L19 PolarHBondContact O-N 2.9Å
16	M	68.1	Low	60.4	Low	121 Å²	121	105.6 Å²	105.6	60%	0.596	62%	0.619	S	S	*	*	H	α-helix	trans	-67.2	-38.7	176.3	-69.9	-65.7	-80.3	0	0	111.5	T12 V13 L19 M20	T12-M16 WeakPolarHBondContact O-CB 3.19Å; T12-M16 WeakPolarHBondContact O-CG 3.47Å; T12-M16 PolarHBondContact O-N 3.25Å; V13-M16 PolarHBondContact O-N 2.99Å; M16-L19 PolarHBondContact O-N 3.01Å; M16-M20 WeakPolarHBondContact O-CB 3.24Å; M16-M20 WeakPolarHBondContact O-CG 3.33Å; M16-M20 PolarHBondContact O-N 3Å
17	A	67	Low	61.2	Low	53 Å²	53	106.4 Å²	106.4	44%	0.438	62%	0.624	S	S	.	*	H	α-helix	trans	-63.4	-42.5	173.5	0	0	0	0	0	111.7	V13 A14 M20 V21	V13-A17 VanDerWaalsContact O-CB 3.28Å; V13-A17 WeakPolarHBondContact O-CB 3.42Å; V13-A17 PolarHBondContact O-N 3.33Å; A14-A17 PolarHBondContact O-N 3.02Å; A17-M20 PolarHBondContact O-N 3.26Å; A17-V21 VanDerWaalsContact O-CG2 3.32Å; A17-V21 WeakPolarHBondContact O-CG2 3.37Å; A17-V21 PolarHBondContact O-N 2.94Å
18	L	65.6	Low	61.7	Low	115 Å²	115	108.8 Å²	108.8	60%	0.602	62%	0.622	S	S	*	*	H	α-helix	trans	-64.8	-41.3	176.2	-137.9	92.8	0	0	0	111.7	A14 L15 V21 L22	A14-L18 WeakPolarHBondContact O-CB 3.44Å; A14-L18 PolarHBondContact O-N 3.17Å; L15-L18 PolarHBondContact O-N 3.38Å; L18-V21 PolarHBondContact O-N 2.97Å; L18-L22 HydrophobicContact CD2-CD1 4.42Å; L18-L22 WeakPolarHBondContact O-CB 3.22Å; L18-L22 WeakPolarHBondContact O-CD1 3.45Å; L18-L22 WeakPolarHBondContact O-CG 3.03Å; L18-L22 PolarHBondContact O-N 3.47Å
19	L	64.6	Low	61.9	Low	88 Å²	88	107.7 Å²	107.7	46%	0.461	62%	0.619	S	S	.	*	H	α-helix	trans	-64.5	-40.9	177	-128.1	91.9	0	0	0	111.4	L15 M16 V21 L22 L23	L15-L19 WeakPolarHBondContact O-CB 3.2Å; L15-L19 PolarHBondContact O-N 2.9Å; M16-L19 PolarHBondContact O-N 3.01Å; L19-V21 VanDerWaalsContact C-N 3.35Å; L19-L22 PolarHBondContact O-N 2.93Å; L19-L23 HydrophobicContact CD2-CD1 4.09Å; L19-L23 HydrophobicContact CG-CD1 4.4Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.41Å; L19-L23 WeakPolarHBondContact O-CD1 3.48Å; L19-L23 VanDerWaalsContact O-CG 3.24Å; L19-L23 WeakPolarHBondContact O-CG 3.37Å; L19-L23 PolarHBondContact O-N 2.95Å
20	M	65.2	Low	62.1	Low	126 Å²	126	116.1 Å²	116.1	62%	0.621	64%	0.636	S	S	*	*	H	α-helix	trans	-64.4	-38.8	177.2	-70.5	-75	-81.1	0	0	111.6	M16 A17 L23 T24	M16-M20 WeakPolarHBondContact O-CB 3.24Å; M16-M20 WeakPolarHBondContact O-CG 3.33Å; M16-M20 PolarHBondContact O-N 3Å; A17-M20 PolarHBondContact O-N 3.26Å; M20-L23 PolarHBondContact O-N 2.77Å; M20-T24 WeakPolarHBondContact O-CG2 3.36Å; M20-T24 PolarHBondContact O-N 3.39Å; M20-T24 PolarHBondContact O-OG1 2.74Å
21	V	63.5	Low	62.4	Low	107 Å²	107	116 Å²	116	65%	0.648	64%	0.644	S	S	*	*	H	α-helix	trans	-67.5	-36	174.7	172.6	0	0	0	0	111.9	A17 L18 L19 T24	A17-V21 VanDerWaalsContact O-CG2 3.32Å; A17-V21 WeakPolarHBondContact O-CG2 3.37Å; A17-V21 PolarHBondContact O-N 2.94Å; L18-V21 PolarHBondContact O-N 2.97Å; L19-V21 VanDerWaalsContact C-N 3.35Å; V21-T24 PolarHBondContact O-OG1 3.37Å
22	L	60.8	Low	62.8	Low	134 Å²	134	111.3 Å²	111.3	70%	0.702	64%	0.64	S	S	*	*	H	α-helix	trans	-75.3	-27.7	176.5	-75.5	160.7	0	0	0	113	L18 L19	L18-L22 HydrophobicContact CD2-CD1 4.42Å; L18-L22 WeakPolarHBondContact O-CB 3.22Å; L18-L22 WeakPolarHBondContact O-CD1 3.45Å; L18-L22 WeakPolarHBondContact O-CG 3.03Å; L18-L22 PolarHBondContact O-N 3.47Å; L19-L22 PolarHBondContact O-N 2.93Å
23	L	60.3	Low	64	Low	124 Å²	124	112.3 Å²	112.3	65%	0.649	65%	0.648	S	S	*	*	H	α-helix	trans	-85.4	-19.6	177.3	-75.4	162.4	0	0	0	113	L19 M20 S25	L19-L23 HydrophobicContact CD2-CD1 4.09Å; L19-L23 HydrophobicContact CG-CD1 4.4Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.41Å; L19-L23 WeakPolarHBondContact O-CD1 3.48Å; L19-L23 VanDerWaalsContact O-CG 3.24Å; L19-L23 WeakPolarHBondContact O-CG 3.37Å; L19-L23 PolarHBondContact O-N 2.95Å; M20-L23 PolarHBondContact O-N 2.77Å; L23-S25 PolarHBondContact O-N 3.19Å
24	T	59.6	Low	65.1	Low	88 Å²	88	115.1 Å²	115.1	54%	0.54	66%	0.655	S	S	.	*			trans	-75.6	82.4	165.4	51.5	0	0	0	0	109.1	M20 V21 V26	M20-T24 WeakPolarHBondContact O-CG2 3.36Å; M20-T24 PolarHBondContact O-N 3.39Å; M20-T24 PolarHBondContact O-OG1 2.74Å; V21-T24 PolarHBondContact O-OG1 3.37Å; T24-V26 PolarHBondContact O-N 2.96Å
25	S	57.7	Low	66.4	Low	97 Å²	97	118.2 Å²	118.2	68%	0.678	66%	0.663	S	S	*	*			trans	-61.7	90.4	156.6	57.7	0	0	0	0	106.9	L23 V27	L23-S25 PolarHBondContact O-N 3.19Å; S25-V27 PolarHBondContact O-N 3.48Å
26	V	60.3	Low	67.6	Low	104 Å²	104	119.3 Å²	119.3	63%	0.63	66%	0.66	S	S	*	*			trans	-62.5	96	165.1	177.5	0	0	0	0	105	T24 Q28	T24-V26 PolarHBondContact O-N 2.96Å; V26-Q28 HydrophobicContact CG1-CB 4.45Å; V26-Q28 PolarHBondContact O-N 2.74Å
27	V	61	Low	69	Low	129 Å²	129	116.7 Å²	116.7	78%	0.782	65%	0.649	S	S	*	*			trans	-68.7	86.7	166.2	178.6	0	0	0	0	104.5	S25 G29	S25-V27 PolarHBondContact O-N 3.48Å; V27-G29 PolarHBondContact O-N 3.46Å
28	Q	57.5	Low	70.4	Confident	166 Å²	166	120 Å²	120	78%	0.776	65%	0.653	S	S	*	*			trans	-71	78.8	170.5	-155.2	107.6	7.2	0	0	106.3	V26 R30	V26-Q28 HydrophobicContact CG1-CB 4.45Å; V26-Q28 PolarHBondContact O-N 2.74Å; Q28-R30 PolarHBondContact O-N 3.17Å
29	G	58.9	Low	72	Confident	58 Å²	58	117.5 Å²	117.5	60%	0.598	64%	0.638	S	S	*	*			trans	-55.8	116.6	164.1	0	0	0	0	0	106.1	V27 A31	V27-G29 PolarHBondContact O-N 3.46Å; G29-A31 PolarHBondContact O-N 3.13Å
30	R	60.2	Low	73.6	Confident	242 Å²	242	115.4 Å²	115.4	91%	0.913	64%	0.638	S	S	*	*			trans	-54.7	114.9	167.9	-83.5	-179.3	176.6	169.1	-1.2	105.8	Q28 T32	Q28-R30 PolarHBondContact O-N 3.17Å; R30-T32 PolarHBondContact O-N 3.15Å
31	A	64.1	Low	75.1	Confident	95 Å²	95	114.3 Å²	114.3	79%	0.785	63%	0.627	S	S	*	*			trans	-56.3	111	168.3	0	0	0	0	0	106.1	G29	G29-A31 PolarHBondContact O-N 3.13Å
32	T	66.6	Low	76.8	Confident	123 Å²	123	114.8 Å²	114.8	76%	0.755	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-54.2	135.1	164.1	43.8	0	0	0	0	106.6	R30 E34	R30-T32 PolarHBondContact O-N 3.15Å; T32-E34 PolarHBondContact O-N 3.34Å
33	P	84.4	Confident	78.6	Confident	117 Å²	117	110.4 Å²	110.4	76%	0.76	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-48.9	135.1	175.3	-24.9	32.6	0	0	0	109.8	N35	P33-N35 PolarHBondContact O-N 3.11Å; P33-N35 VanDerWaalsContact O-N 3.12Å
34	E	88.1	Confident	80.3	Confident	156 Å²	156	107.1 Å²	107.1	73%	0.729	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-57.5	118.7	176.1	-169.3	176.6	173.7	0	0	108.5	T32 Y36	T32-E34 PolarHBondContact O-N 3.34Å; E34-Y36 HydrophobicContact CG-CD2 4.48Å; E34-Y36 HydrophobicContact CG-CE2 3.52Å; E34-Y36 VanDerWaalsContact OE1-CE2 3.3Å; E34-Y36 WeakPolarHBondContact OE1-CE2 3.28Å; E34-Y36 VanDerWaalsContact OE1-CZ 3.26Å; E34-Y36 PolarHBondContact OE1-OH 3.14Å
35	N	92.5	Very high	82.1	Confident	123 Å²	123	108.2 Å²	108.2	66%	0.658	58%	0.58	S	S	*	*			trans	-138.3	135.3	-175	-175.7	46.5	0	0	0	109.8	P33	P33-N35 PolarHBondContact O-N 3.11Å; P33-N35 VanDerWaalsContact O-N 3.12Å
36	Y	94.3	Very high	83.8	Confident	139 Å²	139	105.7 Å²	105.7	55%	0.545	57%	0.565	S	S	.	*			trans	-128.3	142.1	179.2	-58.6	-71.8	0	0	0	109	E34 Y59	E34-Y36 HydrophobicContact CG-CD2 4.48Å; E34-Y36 HydrophobicContact CG-CE2 3.52Å; E34-Y36 VanDerWaalsContact OE1-CE2 3.3Å; E34-Y36 WeakPolarHBondContact OE1-CE2 3.28Å; E34-Y36 VanDerWaalsContact OE1-CZ 3.26Å; E34-Y36 PolarHBondContact OE1-OH 3.14Å; Y36-Y59 WeakPolarHBondContact CD1-OH 3.33Å
37	L	97.1	Very high	85.4	Confident	67 Å²	67	107.5 Å²	107.5	35%	0.351	57%	0.565	S	S	.	*			trans	-140.2	130	-175.9	175.5	148.9	0	0	0	109.5	Q39 N60	L37-Q39 HydrophobicContact CD2-CB 4.46Å; L37-Q39 HydrophobicContact CD2-CG 3.53Å; L37-Q39 HydrophobicContact CG-CG 4.32Å; L37-N60 VanDerWaalsContact CD2-O 3.23Å; L37-N60 WeakPolarHBondContact CD2-O 3.41Å; L37-N60 PolarHBondContact N-OD1 3.27Å; L37-N60 WeakPolarHBondContact O-CA 3.31Å; L37-N60 PolarHBondContact O-N 2.91Å; L37-N60 PolarHBondContact O-OD1 2.98Å
38	F	97.3	Very high	86.8	Confident	123 Å²	123	108 Å²	108	54%	0.539	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.7	135.1	172.1	-167.8	-85.7	0	0	0	108.8	Y57 Y59 F64	F38-Y57 HydrophobicContact CE1-CD1 4.38Å; F38-Y57 HydrophobicContact CZ-CD1 4.02Å; F38-Y59 HydrophobicContact CD2-CD2 4.22Å; F38-F64 HydrophobicContact CD2-CE1 4.49Å; F38-F64 AromaticContact CE2-CE1 3.56Å; F38-F64 HydrophobicContact CE2-CE1 3.56Å; F38-F64 AromaticContact CE2-CZ 3.7Å; F38-F64 HydrophobicContact CE2-CZ 3.7Å; F38-F64 HydrophobicContact CZ-CE1 4.01Å; F38-F64 AromaticContact CZ-CZ 3.95Å; F38-F64 HydrophobicContact CZ-CZ 3.95Å
39	Q	98.1	Very high	88.2	Confident	61 Å²	61	103.2 Å²	103.2	29%	0.285	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.5	136.4	-179.9	-76.8	179.7	7.5	0	0	110.1	L37 I58	L37-Q39 HydrophobicContact CD2-CB 4.46Å; L37-Q39 HydrophobicContact CD2-CG 3.53Å; L37-Q39 HydrophobicContact CG-CG 4.32Å; Q39-I58 HydrophobicContact CB-CB 4.13Å; Q39-I58 PolarHBondContact N-O 3.1Å; Q39-I58 WeakPolarHBondContact O-CB 3.44Å; Q39-I58 PolarHBondContact O-N 3.44Å
40	G	97.7	Very high	89.9	Confident	45 Å²	45	104.6 Å²	104.6	46%	0.464	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.6	152.4	164.2	0	0	0	0	0	110.8	R56	G40-R56 WeakPolarHBondContact CA-O 3.12Å
41	R	98.3	Very high	91.6	Very high	103 Å²	103	94.1 Å²	94.1	39%	0.389	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.4	163.3	-62.5	-68.7	-177.5	-83.2	-9.9	108.7	E43 E55 R56 I58	R41-E43 HydrophobicContact CB-CG 4.03Å; R41-E43 WeakPolarHBondContact CB-OE1 3.39Å; R41-E55 CarbonylContact O-C 3.57Å; R41-E55 VanDerWaalsContact O-CA 3.25Å; R41-E55 WeakPolarHBondContact O-CA 3.49Å; R41-R56 HydrophobicContact CB-CB 4.17Å; R41-R56 HydrophobicContact CB-CG 4.41Å; R41-R56 PolarHBondContact N-O 3.44Å; R41-R56 PolarHBondContact O-N 3.45Å; R41-I58 HydrophobicContact CG-CD1 4.05Å
42	Q	98.1	Very high	93.2	Very high	116 Å²	116	94 Å²	94	54%	0.542	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	104	171.2	-75	-179.9	-26.1	0	0	106.7	F53 E55	Q42-F53 HydrophobicContact CB-CE2 3.95Å; Q42-F53 HydrophobicContact CB-CZ 4.37Å; Q42-F53 HydrophobicContact CG-CE2 4.23Å; Q42-F53 HydrophobicContact CG-CZ 4.14Å; Q42-E55 HydrophobicContact CG-CG 3.99Å; Q42-E55 PolarHBondContact NE2-OE1 2.98Å
43	E	98.3	Very high	94.7	Very high	43 Å²	43	88.2 Å²	88.2	20%	0.201	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.9	-167.9	-59.4	168.9	175	0	0	108.6	R41 Y45 F53 L54 R56	R41-E43 HydrophobicContact CB-CG 4.03Å; R41-E43 WeakPolarHBondContact CB-OE1 3.39Å; E43-Y45 HydrophobicContact CB-CD2 4.31Å; E43-Y45 HydrophobicContact CB-CE2 3.61Å; E43-Y45 PolarHBondContact OE2-OH 3.13Å; E43-F53 CarbonylContact O-C 3.59Å; E43-F53 WeakPolarHBondContact O-CA 3.18Å; E43-F53 WeakPolarHBondContact O-CD2 3.36Å; E43-L54 HydrophobicContact CB-CB 4.2Å; E43-L54 PolarHBondContact N-O 3.35Å; E43-L54 PolarHBondContact O-N 3.5Å; E43-R56 IonicContact OE1-NE 2.83Å; E43-R56 PolarHBondContact OE1-NE 3.32Å; E43-R56 IonicContact OE2-CZ 2.93Å; E43-R56 IonicContact OE2-NE 3.96Å; E43-R56 PolarHBondContact OE2-NE 3.15Å; E43-R56 IonicContact OE2-NH2 2.7Å; E43-R56 PolarHBondContact OE2-NH2 3.45Å
44	C	97.1	Very high	95.4	Very high	54 Å²	54	82.9 Å²	82.9	37%	0.365	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.3	172.5	-64.8	0	0	0	0	108.6	R52 C106	C44-R52 WeakPolarHBondContact CA-O 3.44Å; C44-C106 HydrophobicContact CB-CB 3.58Å; C44-C106 WeakPolarHBondContact CB-SG 3.29Å; C44-C106 WeakPolarHBondContact SG-CA 3.34Å; C44-C106 WeakPolarHBondContact SG-CB 3.21Å; C44-C106 CovalentContact SG-SG 2.04Å; C44-C106 PolarHBondContact SG-SG 2.92Å
45	Y	96.6	Very high	95.9	Very high	112 Å²	112	76.1 Å²	76.1	44%	0.439	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	109	176	-63	-86.5	0	0	0	109.3	E43 Q51 R52 L54	E43-Y45 HydrophobicContact CB-CD2 4.31Å; E43-Y45 HydrophobicContact CB-CE2 3.61Å; E43-Y45 PolarHBondContact OE2-OH 3.13Å; Y45-Q51 WeakPolarHBondContact O-CA 3.29Å; Y45-R52 PolarHBondContact N-O 3.16Å; Y45-R52 PolarHBondContact O-N 3.13Å; Y45-L54 HydrophobicContact CE2-CB 4.14Å; Y45-L54 HydrophobicContact CE2-CD2 4.34Å
46	A	93.8	Very high	96.2	Very high	43 Å²	43	72.7 Å²	72.7	36%	0.355	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.6	175.1	0	0	0	0	0	110.2	T50 Y110	A46-T50 WeakPolarHBondContact CA-O 3.41Å; A46-Y110 HydrophobicContact CB-CD2 3.56Å; A46-Y110 HydrophobicContact CB-CE2 3.41Å; A46-Y110 VanDerWaalsContact CB-CE2 3.41Å; A46-Y110 HydrophobicContact CB-CG 4.3Å
47	F	92.8	Very high	96.4	Very high	143 Å²	143	68 Å²	68	63%	0.627	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.1	125.5	177.3	-178.5	-103.4	0	0	0	110.9	G49 T50	F47-G49 PolarHBondContact O-N 3.49Å; F47-T50 PolarHBondContact N-O 3.14Å; F47-T50 PolarHBondContact O-N 3.02Å; F47-T50 PolarHBondContact O-OG1 3.41Å
48	N	90.7	Very high	96.4	Very high	140 Å²	140	65.8 Å²	65.8	75%	0.749	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.2	41.6	177.8	-69.9	-9	0	0	0	114.6	T50	N48-T50 VanDerWaalsContact C-N 3.28Å; N48-T50 PolarHBondContact O-N 3.45Å
49	G	86.9	Confident	96.5	Very high	64 Å²	64	64.2 Å²	64.2	66%	0.66	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	-8.2	179.4	0	0	0	0	0	115.6	F47	F47-G49 PolarHBondContact O-N 3.49Å
50	T	94.6	Very high	96.3	Very high	87 Å²	87	64.1 Å²	64.1	53%	0.534	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	156.7	172.5	64.5	0	0	0	0	111.8	A46 F47 N48	A46-T50 WeakPolarHBondContact CA-O 3.41Å; F47-T50 PolarHBondContact N-O 3.14Å; F47-T50 PolarHBondContact O-N 3.02Å; F47-T50 PolarHBondContact O-OG1 3.41Å; N48-T50 VanDerWaalsContact C-N 3.28Å; N48-T50 PolarHBondContact O-N 3.45Å
51	Q	96.6	Very high	96.3	Very high	23 Å²	23	73.5 Å²	73.5	11%	0.107	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.4	176	-62.2	-66.3	-26.9	0	0	108.7	Y45 P102 C106 R107	Y45-Q51 WeakPolarHBondContact O-CA 3.29Å; Q51-P102 HydrophobicContact CB-CB 4.01Å; Q51-C106 HydrophobicContact CB-CB 4.09Å; Q51-C106 HydrophobicContact CG-CB 4.16Å; Q51-R107 HydrophobicContact CG-CB 4.24Å
52	R	97.8	Very high	96.3	Very high	93 Å²	93	73.2 Å²	73.2	35%	0.351	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.4	165.8	176.3	-174.3	179.1	-179.9	-2.4	109	C44 Y45 D68 S69 D70	C44-R52 WeakPolarHBondContact CA-O 3.44Å; Y45-R52 PolarHBondContact N-O 3.16Å; Y45-R52 PolarHBondContact O-N 3.13Å; R52-D68 IonicContact CZ-OD1 2.75Å; R52-D68 IonicContact CZ-OD2 3.45Å; R52-D68 IonicContact NE-OD1 3.12Å; R52-D68 PolarHBondContact NE-OD1 3.39Å; R52-D68 IonicContact NE-OD2 3.6Å; R52-D68 IonicContact NH2-OD1 3.64Å; R52-D68 IonicContact NH2-OD2 3.51Å; R52-D68 PolarHBondContact NH2-OD2 3.05Å; R52-S69 WeakPolarHBondContact CA-OG 3.42Å; R52-S69 WeakPolarHBondContact CG-OG 3.38Å; R52-D70 WeakPolarHBondContact CD-OD2 3.12Å; R52-D70 IonicContact CZ-OD2 2.62Å; R52-D70 IonicContact NE-OD2 3.63Å; R52-D70 PolarHBondContact NE-OD2 3.44Å; R52-D70 IonicContact NH1-OD2 3.55Å
53	F	98.4	Very high	96.3	Very high	1 Å²	1	69.3 Å²	69.3	0%	0.004	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.1	177.2	176.8	-115.7	0	0	0	110.5	Q42 E43 E55 F67 S69 K98 V101 P102 M105	Q42-F53 HydrophobicContact CB-CE2 3.95Å; Q42-F53 HydrophobicContact CB-CZ 4.37Å; Q42-F53 HydrophobicContact CG-CE2 4.23Å; Q42-F53 HydrophobicContact CG-CZ 4.14Å; E43-F53 CarbonylContact O-C 3.59Å; E43-F53 WeakPolarHBondContact O-CA 3.18Å; E43-F53 WeakPolarHBondContact O-CD2 3.36Å; F53-E55 HydrophobicContact CE1-CB 3.83Å; F53-E55 HydrophobicContact CZ-CB 3.72Å; F53-E55 HydrophobicContact CZ-CG 4.29Å; F53-F67 AromaticContact CD1-CD1 3.87Å; F53-F67 HydrophobicContact CD1-CD1 3.87Å; F53-F67 HydrophobicContact CD1-CE1 4.05Å; F53-F67 HydrophobicContact CE1-CD1 4.11Å; F53-S69 PolarHBondContact N-OG 3.26Å; F53-S69 PolarHBondContact O-N 2.93Å; F53-S69 PolarHBondContact O-OG 2.93Å; F53-K98 HydrophobicContact CE1-CD 4.36Å; F53-V101 HydrophobicContact CB-CB 4.42Å; F53-V101 HydrophobicContact CB-CG1 4.21Å; F53-V101 HydrophobicContact CD1-CB 3.66Å; F53-V101 HydrophobicContact CD1-CG1 3.67Å; F53-V101 HydrophobicContact CD1-CG2 4.19Å; F53-V101 HydrophobicContact CD2-CB 4.37Å; F53-V101 HydrophobicContact CD2-CG1 3.47Å; F53-V101 VanDerWaalsContact CD2-CG1 3.47Å; F53-V101 HydrophobicContact CE1-CB 3.94Å; F53-V101 HydrophobicContact CE1-CG1 3.81Å; F53-V101 HydrophobicContact CE1-CG2 3.99Å; F53-V101 HydrophobicContact CE2-CG1 3.62Å; F53-V101 HydrophobicContact CG-CB 3.89Å; F53-V101 HydrophobicContact CG-CG1 3.49Å; F53-V101 VanDerWaalsContact CG-CG1 3.49Å; F53-V101 HydrophobicContact CZ-CB 4.39Å; F53-V101 HydrophobicContact CZ-CG1 3.77Å; F53-V101 HydrophobicContact CZ-CG2 4.43Å; F53-P102 HydrophobicContact CB-CG 3.73Å; F53-M105 HydrophobicContact CD2-CE 4.41Å; F53-M105 HydrophobicContact CE2-CE 4Å
54	L	98.4	Very high	96.3	Very high	5 Å²	5	67.9 Å²	67.9	3%	0.026	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	122.1	176	-155.5	70.5	0	0	0	109.1	E43 Y45 R56 F67 D68	E43-L54 HydrophobicContact CB-CB 4.2Å; E43-L54 PolarHBondContact N-O 3.35Å; E43-L54 PolarHBondContact O-N 3.5Å; Y45-L54 HydrophobicContact CE2-CB 4.14Å; Y45-L54 HydrophobicContact CE2-CD2 4.34Å; L54-R56 VanDerWaalsContact CD2-CZ 3.43Å; L54-R56 HydrophobicContact CG-CG 4.45Å; L54-F67 CarbonylContact C-O 3.54Å; L54-F67 WeakPolarHBondContact CA-O 3.45Å; L54-D68 HydrophobicContact CD1-CB 3.39Å; L54-D68 WeakPolarHBondContact CD1-OD2 3.28Å
55	E	98.5	Very high	96.4	Very high	14 Å²	14	65.3 Å²	65.3	7%	0.065	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.1	174.3	-167.6	164.9	-150.6	0	0	109.5	R41 Q42 F53 Y57 R66 F67 K98	R41-E55 CarbonylContact O-C 3.57Å; R41-E55 VanDerWaalsContact O-CA 3.25Å; R41-E55 WeakPolarHBondContact O-CA 3.49Å; Q42-E55 HydrophobicContact CG-CG 3.99Å; Q42-E55 PolarHBondContact NE2-OE1 2.98Å; F53-E55 HydrophobicContact CE1-CB 3.83Å; F53-E55 HydrophobicContact CZ-CB 3.72Å; F53-E55 HydrophobicContact CZ-CG 4.29Å; E55-Y57 HydrophobicContact CG-CE2 3.91Å; E55-R66 CarbonylContact O-C 3.46Å; E55-R66 WeakPolarHBondContact O-CA 3.44Å; E55-R66 WeakPolarHBondContact O-CB 3.39Å; E55-F67 HydrophobicContact CB-CB 4.23Å; E55-F67 PolarHBondContact N-O 3.48Å; E55-F67 PolarHBondContact O-N 3.33Å; E55-K98 VanDerWaalsContact CD-NZ 3.3Å; E55-K98 IonicContact OE1-NZ 3.22Å; E55-K98 PolarHBondContact OE1-NZ 2.78Å; E55-K98 VanDerWaalsContact OE1-NZ 3.12Å; E55-K98 VanDerWaalsContact OE2-CD 3.23Å; E55-K98 WeakPolarHBondContact OE2-CD 3.35Å; E55-K98 WeakPolarHBondContact OE2-CE 3.14Å; E55-K98 IonicContact OE2-NZ 2.64Å; E55-K98 PolarHBondContact OE2-NZ 2.96Å
56	R	98.6	Very high	96.4	Very high	50 Å²	50	63.4 Å²	63.4	19%	0.189	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.8	-175.9	-51.6	178.7	-178.5	-104.9	4.2	110.5	G40 R41 E43 L54 I58 E63	G40-R56 WeakPolarHBondContact CA-O 3.12Å; R41-R56 HydrophobicContact CB-CB 4.17Å; R41-R56 HydrophobicContact CB-CG 4.41Å; R41-R56 PolarHBondContact N-O 3.44Å; R41-R56 PolarHBondContact O-N 3.45Å; E43-R56 IonicContact OE1-NE 2.83Å; E43-R56 PolarHBondContact OE1-NE 3.32Å; E43-R56 IonicContact OE2-CZ 2.93Å; E43-R56 IonicContact OE2-NE 3.96Å; E43-R56 PolarHBondContact OE2-NE 3.15Å; E43-R56 IonicContact OE2-NH2 2.7Å; E43-R56 PolarHBondContact OE2-NH2 3.45Å; L54-R56 VanDerWaalsContact CD2-CZ 3.43Å; L54-R56 HydrophobicContact CG-CG 4.45Å; R56-I58 HydrophobicContact CB-CD1 4.24Å; R56-I58 HydrophobicContact CB-CG1 4.34Å; R56-E63 HydrophobicContact CB-CG 4.25Å; R56-E63 WeakPolarHBondContact CG-OE1 3.46Å; R56-E63 IonicContact CZ-OE2 2.82Å; R56-E63 IonicContact NH1-OE1 3.8Å; R56-E63 PolarHBondContact NH1-OE1 2.94Å; R56-E63 IonicContact NH1-OE2 3.65Å; R56-E63 PolarHBondContact NH1-OE2 3.34Å
57	Y	98.4	Very high	96.7	Very high	41 Å²	41	61.3 Å²	61.3	16%	0.161	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.4	173.8	-60.1	-94.8	0	0	0	109.1	F38 E55 E63 F64 A65 F74 W88	F38-Y57 HydrophobicContact CE1-CD1 4.38Å; F38-Y57 HydrophobicContact CZ-CD1 4.02Å; E55-Y57 HydrophobicContact CG-CE2 3.91Å; Y57-E63 WeakPolarHBondContact O-CA 3.38Å; Y57-F64 VanDerWaalsContact C-CE1 3.49Å; Y57-F64 VanDerWaalsContact CB-CZ 3.46Å; Y57-F64 HydrophobicContact CG-CZ 4.44Å; Y57-F64 VanDerWaalsContact O-CD1 3.22Å; Y57-F64 WeakPolarHBondContact O-CD1 3.37Å; Y57-F64 PolarHBondContact O-N 2.95Å; Y57-A65 PolarHBondContact N-O 3.14Å; Y57-F74 HydrophobicContact CE2-CD1 4.37Å; Y57-F74 AromaticContact CE2-CE1 3.89Å; Y57-F74 HydrophobicContact CE2-CE1 3.89Å; Y57-W88 AromaticContact CD1-CH2 3.93Å; Y57-W88 HydrophobicContact CD1-CH2 3.93Å; Y57-W88 AromaticContact CD2-CH2 3.88Å; Y57-W88 HydrophobicContact CD2-CH2 3.88Å; Y57-W88 AromaticContact CD2-CZ3 3.73Å; Y57-W88 HydrophobicContact CD2-CZ3 3.73Å; Y57-W88 AromaticContact CE1-CH2 3.97Å; Y57-W88 HydrophobicContact CE1-CH2 3.97Å; Y57-W88 AromaticContact CE2-CH2 3.95Å; Y57-W88 HydrophobicContact CE2-CH2 3.95Å; Y57-W88 AromaticContact CE2-CZ3 3.72Å; Y57-W88 HydrophobicContact CE2-CZ3 3.72Å; Y57-W88 AromaticContact CG-CH2 3.87Å; Y57-W88 HydrophobicContact CG-CH2 3.87Å; Y57-W88 HydrophobicContact CG-CZ3 4.19Å; Y57-W88 AromaticContact CZ-CH2 3.98Å
58	I	98.6	Very high	97	Very high	21 Å²	21	55.2 Å²	55.2	11%	0.108	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	120.2	-167.9	-57.6	157	0	0	0	109.2	Q39 R41 R56 E62 E63	Q39-I58 HydrophobicContact CB-CB 4.13Å; Q39-I58 PolarHBondContact N-O 3.1Å; Q39-I58 WeakPolarHBondContact O-CB 3.44Å; Q39-I58 PolarHBondContact O-N 3.44Å; R41-I58 HydrophobicContact CG-CD1 4.05Å; R56-I58 HydrophobicContact CB-CD1 4.24Å; R56-I58 HydrophobicContact CB-CG1 4.34Å; I58-E62 CarbonylContact C-O 3.55Å; I58-E62 WeakPolarHBondContact CA-O 3.26Å; I58-E63 HydrophobicContact CG1-CB 3.96Å; I58-E63 HydrophobicContact CG1-CG 4.1Å
59	Y	97.7	Very high	97.3	Very high	89 Å²	89	49.9 Å²	49.9	35%	0.349	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.7	171.6	-172.6	-106.6	0	0	0	109.3	Y36 F38 R61 E62	Y36-Y59 WeakPolarHBondContact CD1-OH 3.33Å; F38-Y59 HydrophobicContact CD2-CD2 4.22Å; Y59-R61 PolarHBondContact O-N 3.47Å; Y59-E62 PolarHBondContact N-O 3.4Å; Y59-E62 PolarHBondContact O-N 3.49Å
60	N	95.6	Very high	97.8	Very high	59 Å²	59	52.2 Å²	52.2	32%	0.316	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-89.5	-166.3	-61.7	-44.2	0	0	0	112.1	L37	L37-N60 VanDerWaalsContact CD2-O 3.23Å; L37-N60 WeakPolarHBondContact CD2-O 3.41Å; L37-N60 PolarHBondContact N-OD1 3.27Å; L37-N60 WeakPolarHBondContact O-CA 3.31Å; L37-N60 PolarHBondContact O-N 2.91Å; L37-N60 PolarHBondContact O-OD1 2.98Å
61	R	96.3	Very high	98	Very high	242 Å²	242	51.9 Å²	51.9	91%	0.913	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134	8.2	176	-62.1	-179	67.2	-175.7	0.1	112.2	Y59	Y59-R61 PolarHBondContact O-N 3.47Å
62	E	97.9	Very high	98	Very high	97 Å²	97	51.4 Å²	51.4	45%	0.453	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	111	178.5	-171.7	179.5	154.7	0	0	108.7	I58 Y59 F64 T78	I58-E62 CarbonylContact C-O 3.55Å; I58-E62 WeakPolarHBondContact CA-O 3.26Å; Y59-E62 PolarHBondContact N-O 3.4Å; Y59-E62 PolarHBondContact O-N 3.49Å; E62-F64 PolarHBondContact O-N 3.33Å; E62-T78 HydrophobicContact CG-CG2 3.89Å; E62-T78 WeakPolarHBondContact OE1-CB 3.19Å; E62-T78 VanDerWaalsContact OE1-CG2 3.29Å; E62-T78 WeakPolarHBondContact OE1-CG2 3.35Å; E62-T78 PolarHBondContact OE1-OG1 3.37Å
63	E	98.4	Very high	98	Very high	34 Å²	34	49.7 Å²	49.7	16%	0.159	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.4	169.1	-174.4	-177.1	172.9	0	0	108.4	R56 Y57 I58 R66 V77 T78	R56-E63 HydrophobicContact CB-CG 4.25Å; R56-E63 WeakPolarHBondContact CG-OE1 3.46Å; R56-E63 IonicContact CZ-OE2 2.82Å; R56-E63 IonicContact NH1-OE1 3.8Å; R56-E63 PolarHBondContact NH1-OE1 2.94Å; R56-E63 IonicContact NH1-OE2 3.65Å; R56-E63 PolarHBondContact NH1-OE2 3.34Å; Y57-E63 WeakPolarHBondContact O-CA 3.38Å; I58-E63 HydrophobicContact CG1-CB 3.96Å; I58-E63 HydrophobicContact CG1-CG 4.1Å; E63-R66 IonicContact OE1-CZ 2.67Å; E63-R66 IonicContact OE1-NE 2.75Å; E63-R66 PolarHBondContact OE1-NE 2.97Å; E63-R66 IonicContact OE1-NH2 3.19Å; E63-R66 PolarHBondContact OE1-NH2 3.48Å; E63-R66 IonicContact OE2-CZ 3.02Å; E63-R66 IonicContact OE2-NH2 3.75Å; E63-R66 PolarHBondContact OE2-NH2 2.88Å; E63-V77 HydrophobicContact CG-CB 4.46Å; E63-V77 HydrophobicContact CG-CG2 4.16Å; E63-V77 WeakPolarHBondContact O-CB 3.49Å; E63-V77 WeakPolarHBondContact O-CG1 3.39Å; E63-T78 WeakPolarHBondContact O-CG2 3.38Å
64	F	98.4	Very high	98.1	Very high	13 Å²	13	49.7 Å²	49.7	6%	0.057	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-28	-173.6	66.3	-90.3	0	0	0	113.1	F38 Y57 E62 V77 T78 L80 G81 D84	F38-F64 HydrophobicContact CD2-CE1 4.49Å; F38-F64 AromaticContact CE2-CE1 3.56Å; F38-F64 HydrophobicContact CE2-CE1 3.56Å; F38-F64 AromaticContact CE2-CZ 3.7Å; F38-F64 HydrophobicContact CE2-CZ 3.7Å; F38-F64 HydrophobicContact CZ-CE1 4.01Å; F38-F64 AromaticContact CZ-CZ 3.95Å; F38-F64 HydrophobicContact CZ-CZ 3.95Å; Y57-F64 VanDerWaalsContact C-CE1 3.49Å; Y57-F64 VanDerWaalsContact CB-CZ 3.46Å; Y57-F64 HydrophobicContact CG-CZ 4.44Å; Y57-F64 VanDerWaalsContact O-CD1 3.22Å; Y57-F64 WeakPolarHBondContact O-CD1 3.37Å; Y57-F64 PolarHBondContact O-N 2.95Å; E62-F64 PolarHBondContact O-N 3.33Å; F64-V77 PolarHBondContact O-N 3.41Å; F64-T78 PolarHBondContact O-N 3.09Å; F64-L80 HydrophobicContact CB-CB 3.98Å; F64-L80 HydrophobicContact CB-CD2 4.01Å; F64-L80 HydrophobicContact CB-CG 4.21Å; F64-L80 HydrophobicContact CD1-CD2 4.39Å; F64-L80 HydrophobicContact CG-CD2 4.15Å; F64-L80 HydrophobicContact CG-CG 4.41Å; F64-G81 WeakPolarHBondContact O-CA 3.47Å; F64-D84 WeakPolarHBondContact CE2-OD2 3.09Å
65	A	98.5	Very high	98.1	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	152.8	176.6	0	0	0	0	0	111.1	Y57 R75 W88	Y57-A65 PolarHBondContact N-O 3.14Å; A65-R75 CarbonylContact C-O 3.59Å; A65-R75 WeakPolarHBondContact CA-O 3.41Å; A65-W88 HydrophobicContact CB-CH2 4.46Å; A65-W88 HydrophobicContact CB-CZ3 3.81Å
66	R	98.6	Very high	98	Very high	72 Å²	72	55.6 Å²	55.6	27%	0.272	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	151.8	175.1	66	173.9	59.4	151.6	5.6	113.2	E55 E63 F74 R75 V77	E55-R66 CarbonylContact O-C 3.46Å; E55-R66 WeakPolarHBondContact O-CA 3.44Å; E55-R66 WeakPolarHBondContact O-CB 3.39Å; E63-R66 IonicContact OE1-CZ 2.67Å; E63-R66 IonicContact OE1-NE 2.75Å; E63-R66 PolarHBondContact OE1-NE 2.97Å; E63-R66 IonicContact OE1-NH2 3.19Å; E63-R66 PolarHBondContact OE1-NH2 3.48Å; E63-R66 IonicContact OE2-CZ 3.02Å; E63-R66 IonicContact OE2-NH2 3.75Å; E63-R66 PolarHBondContact OE2-NH2 2.88Å; R66-F74 CarbonylContact O-C 3.52Å; R66-F74 VanDerWaalsContact O-CA 3.22Å; R66-F74 WeakPolarHBondContact O-CA 3.44Å; R66-R75 PolarHBondContact N-O 2.99Å; R66-R75 PolarHBondContact O-N 3.24Å; R66-V77 HydrophobicContact CB-CG2 4.22Å; R66-V77 HydrophobicContact CG-CG2 3.72Å
67	F	98.7	Very high	98	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.3	159.5	178.4	-89.1	0	0	0	109.1	F53 L54 E55 F74 L95 K98 R99	F53-F67 AromaticContact CD1-CD1 3.87Å; F53-F67 HydrophobicContact CD1-CD1 3.87Å; F53-F67 HydrophobicContact CD1-CE1 4.05Å; F53-F67 HydrophobicContact CE1-CD1 4.11Å; L54-F67 CarbonylContact C-O 3.54Å; L54-F67 WeakPolarHBondContact CA-O 3.45Å; E55-F67 HydrophobicContact CB-CB 4.23Å; E55-F67 PolarHBondContact N-O 3.48Å; E55-F67 PolarHBondContact O-N 3.33Å; F67-F74 HydrophobicContact CB-CD1 3.69Å; F67-F74 HydrophobicContact CB-CE1 3.66Å; F67-F74 HydrophobicContact CB-CG 4.23Å; F67-F74 HydrophobicContact CB-CZ 4.13Å; F67-F74 HydrophobicContact CD2-CD2 4.02Å; F67-F74 AromaticContact CD2-CE2 3.99Å; F67-F74 HydrophobicContact CD2-CE2 3.99Å; F67-F74 HydrophobicContact CD2-CG 4.3Å; F67-F74 HydrophobicContact CD2-CZ 4.27Å; F67-F74 HydrophobicContact CG-CE1 4.49Å; F67-L95 HydrophobicContact CE2-CD2 4.19Å; F67-K98 HydrophobicContact CD1-CB 3.9Å; F67-K98 HydrophobicContact CD2-CB 3.79Å; F67-K98 HydrophobicContact CD2-CG 4.35Å; F67-K98 HydrophobicContact CE1-CB 3.68Å; F67-K98 WeakPolarHBondContact CE1-O 3.24Å; F67-K98 HydrophobicContact CE2-CB 3.55Å; F67-K98 HydrophobicContact CG-CB 3.96Å; F67-K98 HydrophobicContact CG-CG 4.42Å; F67-K98 HydrophobicContact CZ-CB 3.5Å; F67-R99 HydrophobicContact CE2-CG 4.45Å; F67-R99 HydrophobicContact CZ-CG 3.99Å
68	D	98.5	Very high	98	Very high	15 Å²	15	56 Å²	56	8%	0.08	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.9	174.7	-168.2	-19.4	0	0	0	109.4	R52 L54 D70 V71 G72	R52-D68 IonicContact CZ-OD1 2.75Å; R52-D68 IonicContact CZ-OD2 3.45Å; R52-D68 IonicContact NE-OD1 3.12Å; R52-D68 PolarHBondContact NE-OD1 3.39Å; R52-D68 IonicContact NE-OD2 3.6Å; R52-D68 IonicContact NH2-OD1 3.64Å; R52-D68 IonicContact NH2-OD2 3.51Å; R52-D68 PolarHBondContact NH2-OD2 3.05Å; L54-D68 HydrophobicContact CD1-CB 3.39Å; L54-D68 WeakPolarHBondContact CD1-OD2 3.28Å; D68-D70 PolarHBondContact O-N 3.34Å; D68-D70 PolarHBondContact OD1-N 3.48Å; D68-D70 VanDerWaalsContact OD1-N 3.13Å; D68-V71 HydrophobicContact CB-CB 4.15Å; D68-V71 HydrophobicContact CB-CG2 3.89Å; D68-V71 CarbonylContact O-C 3.59Å; D68-V71 PolarHBondContact O-N 3.05Å; D68-G72 PolarHBondContact O-N 2.9Å
69	S	98.1	Very high	98	Very high	28 Å²	28	60.9 Å²	60.9	20%	0.196	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-28.6	-179.7	62.5	0	0	0	0	113	R52 F53 V71	R52-S69 WeakPolarHBondContact CA-OG 3.42Å; R52-S69 WeakPolarHBondContact CG-OG 3.38Å; F53-S69 PolarHBondContact N-OG 3.26Å; F53-S69 PolarHBondContact O-N 2.93Å; F53-S69 PolarHBondContact O-OG 2.93Å; S69-V71 PolarHBondContact O-N 3.42Å
70	D	97.4	Very high	97.9	Very high	113 Å²	113	61 Å²	61	60%	0.604	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-24.5	177.2	-69.9	-1.9	0	0	0	111.6	R52 D68	R52-D70 WeakPolarHBondContact CD-OD2 3.12Å; R52-D70 IonicContact CZ-OD2 2.62Å; R52-D70 IonicContact NE-OD2 3.63Å; R52-D70 PolarHBondContact NE-OD2 3.44Å; R52-D70 IonicContact NH1-OD2 3.55Å; D68-D70 PolarHBondContact O-N 3.34Å; D68-D70 PolarHBondContact OD1-N 3.48Å; D68-D70 VanDerWaalsContact OD1-N 3.13Å
71	V	98	Very high	98	Very high	80 Å²	80	58.1 Å²	58.1	49%	0.485	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-36	176	-175.7	0	0	0	0	110.7	D68 S69 E73 R75	D68-V71 HydrophobicContact CB-CB 4.15Å; D68-V71 HydrophobicContact CB-CG2 3.89Å; D68-V71 CarbonylContact O-C 3.59Å; D68-V71 PolarHBondContact O-N 3.05Å; S69-V71 PolarHBondContact O-N 3.42Å; V71-E73 HydrophobicContact CG1-CG 3.95Å; V71-R75 HydrophobicContact CG1-CG 4.42Å
72	G	97.6	Very high	98.1	Very high	12 Å²	12	53.2 Å²	53.2	12%	0.124	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	11.9	177	0	0	0	0	0	115	D68 R99	D68-G72 PolarHBondContact O-N 2.9Å; G72-R99 VanDerWaalsContact O-CZ 3.23Å; G72-R99 PolarHBondContact O-NE 3.39Å; G72-R99 PolarHBondContact O-NH2 2.84Å
73	E	98.3	Very high	98.1	Very high	57 Å²	57	52.6 Å²	52.6	27%	0.266	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	168.9	179.7	58.8	-176.2	-169.5	0	0	111.5	V71 R75 L95	V71-E73 HydrophobicContact CG1-CG 3.95Å; E73-R75 IonicContact OE1-CZ 3.03Å; E73-R75 IonicContact OE1-NE 2.68Å; E73-R75 PolarHBondContact OE1-NE 3.2Å; E73-R75 IonicContact OE1-NH2 3.31Å; E73-R75 PolarHBondContact OE1-NH2 3.4Å; E73-L95 HydrophobicContact CB-CD2 4.11Å
74	F	98.5	Very high	98.1	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	146.3	174	-65.7	-94.4	0	0	0	110.4	Y57 R66 F67 W88 N89 L94 L95 K98	Y57-F74 HydrophobicContact CE2-CD1 4.37Å; Y57-F74 AromaticContact CE2-CE1 3.89Å; Y57-F74 HydrophobicContact CE2-CE1 3.89Å; R66-F74 CarbonylContact O-C 3.52Å; R66-F74 VanDerWaalsContact O-CA 3.22Å; R66-F74 WeakPolarHBondContact O-CA 3.44Å; F67-F74 HydrophobicContact CB-CD1 3.69Å; F67-F74 HydrophobicContact CB-CE1 3.66Å; F67-F74 HydrophobicContact CB-CG 4.23Å; F67-F74 HydrophobicContact CB-CZ 4.13Å; F67-F74 HydrophobicContact CD2-CD2 4.02Å; F67-F74 AromaticContact CD2-CE2 3.99Å; F67-F74 HydrophobicContact CD2-CE2 3.99Å; F67-F74 HydrophobicContact CD2-CG 4.3Å; F67-F74 HydrophobicContact CD2-CZ 4.27Å; F67-F74 HydrophobicContact CG-CE1 4.49Å; F74-W88 HydrophobicContact CB-CB 4.43Å; F74-W88 HydrophobicContact CB-CE3 4.22Å; F74-W88 HydrophobicContact CD1-CB 4.5Å; F74-W88 HydrophobicContact CD1-CD2 4.24Å; F74-W88 AromaticContact CD1-CE3 3.31Å; F74-W88 HydrophobicContact CD1-CE3 3.31Å; F74-W88 AromaticContact CD1-CZ3 3.85Å; F74-W88 HydrophobicContact CD1-CZ3 3.85Å; F74-W88 HydrophobicContact CD2-CB 3.66Å; F74-W88 HydrophobicContact CE1-CD2 4.31Å; F74-W88 AromaticContact CE1-CE3 3.65Å; F74-W88 HydrophobicContact CE1-CE3 3.65Å; F74-W88 HydrophobicContact CE1-CZ3 4.12Å; F74-W88 HydrophobicContact CE2-CB 3.95Å; F74-W88 HydrophobicContact CG-CB 3.96Å; F74-W88 AromaticContact CG-CE3 3.78Å; F74-W88 HydrophobicContact CG-CE3 3.78Å; F74-W88 HydrophobicContact CZ-CB 4.45Å; F74-W88 HydrophobicContact CZ-CE3 4.4Å; F74-N89 WeakPolarHBondContact CB-OD1 3.3Å; F74-N89 PolarHBondContact N-OD1 2.91Å; F74-N89 PolarHBondContact O-ND2 3.13Å; F74-L94 HydrophobicContact CE2-CD2 3.91Å; F74-L94 HydrophobicContact CE2-CG 4Å; F74-L94 HydrophobicContact CZ-CD2 4.05Å; F74-L94 HydrophobicContact CZ-CG 4.17Å; F74-L95 HydrophobicContact CD2-CD2 3.85Å; F74-L95 HydrophobicContact CE2-CD2 4.08Å; F74-K98 HydrophobicContact CE2-CG 4.14Å; F74-K98 HydrophobicContact CZ-CD 4.49Å; F74-K98 HydrophobicContact CZ-CG 3.79Å
75	R	98.6	Very high	98.1	Very high	116 Å²	116	54.3 Å²	54.3	44%	0.438	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	133.8	174.7	-69	-60.6	-173.1	169.8	0.6	110.4	A65 R66 V71 E73 V77 E85	A65-R75 CarbonylContact C-O 3.59Å; A65-R75 WeakPolarHBondContact CA-O 3.41Å; R66-R75 PolarHBondContact N-O 2.99Å; R66-R75 PolarHBondContact O-N 3.24Å; V71-R75 HydrophobicContact CG1-CG 4.42Å; E73-R75 IonicContact OE1-CZ 3.03Å; E73-R75 IonicContact OE1-NE 2.68Å; E73-R75 PolarHBondContact OE1-NE 3.2Å; E73-R75 IonicContact OE1-NH2 3.31Å; E73-R75 PolarHBondContact OE1-NH2 3.4Å; R75-V77 PolarHBondContact O-N 3.14Å; R75-E85 WeakPolarHBondContact CD-OE1 3.37Å; R75-E85 IonicContact CZ-OE1 3.11Å; R75-E85 IonicContact NE-OE1 3.18Å; R75-E85 IonicContact NH1-OE1 2.87Å; R75-E85 PolarHBondContact NH1-OE1 2.9Å
76	A	98.3	Very high	98	Very high	27 Å²	27	61.6 Å²	61.6	22%	0.223	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	125.6	167.1	0	0	0	0	0	108.7	R82 E85	A76-R82 HydrophobicContact CB-CG 4.14Å; A76-E85 HydrophobicContact CB-CB 4.18Å; A76-E85 WeakPolarHBondContact CB-OE2 3.45Å; A76-E85 PolarHBondContact N-OE2 2.84Å
77	V	98.3	Very high	98	Very high	61 Å²	61	65 Å²	65	37%	0.37	33%	0.326	S	S	.	.	S	Bend	trans	-89.7	-31.6	173.8	-179.2	0	0	0	0	109.7	E63 F64 R66 R75	E63-V77 HydrophobicContact CG-CB 4.46Å; E63-V77 HydrophobicContact CG-CG2 4.16Å; E63-V77 WeakPolarHBondContact O-CB 3.49Å; E63-V77 WeakPolarHBondContact O-CG1 3.39Å; F64-V77 PolarHBondContact O-N 3.41Å; R66-V77 HydrophobicContact CB-CG2 4.22Å; R66-V77 HydrophobicContact CG-CG2 3.72Å; R75-V77 PolarHBondContact O-N 3.14Å
78	T	98.1	Very high	98	Very high	38 Å²	38	66.8 Å²	66.8	23%	0.233	33%	0.333	C	S	.	.	S	Bend	trans	-133.8	169.7	172.8	72.8	0	0	0	0	110.9	E62 E63 F64 L80 G81	E62-T78 HydrophobicContact CG-CG2 3.89Å; E62-T78 WeakPolarHBondContact OE1-CB 3.19Å; E62-T78 VanDerWaalsContact OE1-CG2 3.29Å; E62-T78 WeakPolarHBondContact OE1-CG2 3.35Å; E62-T78 PolarHBondContact OE1-OG1 3.37Å; E63-T78 WeakPolarHBondContact O-CG2 3.38Å; F64-T78 PolarHBondContact O-N 3.09Å; T78-L80 PolarHBondContact O-N 3.45Å; T78-L80 VanDerWaalsContact O-N 3.13Å; T78-G81 PolarHBondContact O-N 3.49Å
79	E	97.3	Very high	98	Very high	124 Å²	124	67.2 Å²	67.2	58%	0.579	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-53.8	-33.4	-179.8	-65.7	-60.7	123.7	0	0	113.3	G81 R82	E79-G81 PolarHBondContact O-N 3.28Å; E79-R82 VanDerWaalsContact CD-CZ 3.45Å; E79-R82 VanDerWaalsContact CD-NE 3.29Å; E79-R82 PolarHBondContact O-N 3.41Å; E79-R82 IonicContact OE1-CZ 3.58Å; E79-R82 IonicContact OE1-NE 2.88Å; E79-R82 PolarHBondContact OE1-NE 2.83Å; E79-R82 VanDerWaalsContact OE1-NE 3.12Å; E79-R82 IonicContact OE1-NH2 3.22Å; E79-R82 PolarHBondContact OE1-NH2 2.84Å; E79-R82 IonicContact OE2-CZ 2.65Å; E79-R82 IonicContact OE2-NE 3.3Å; E79-R82 PolarHBondContact OE2-NE 3.45Å; E79-R82 IonicContact OE2-NH1 3.39Å; E79-R82 IonicContact OE2-NH2 2.91Å; E79-R82 PolarHBondContact OE2-NH2 2.82Å
80	L	97.1	Very high	97.9	Very high	91 Å²	91	69.4 Å²	69.4	48%	0.476	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-58.8	-32.5	179.5	-177	66.7	0	0	0	112.2	F64 T78 P83	F64-L80 HydrophobicContact CB-CB 3.98Å; F64-L80 HydrophobicContact CB-CD2 4.01Å; F64-L80 HydrophobicContact CB-CG 4.21Å; F64-L80 HydrophobicContact CD1-CD2 4.39Å; F64-L80 HydrophobicContact CG-CD2 4.15Å; F64-L80 HydrophobicContact CG-CG 4.41Å; T78-L80 PolarHBondContact O-N 3.45Å; T78-L80 VanDerWaalsContact O-N 3.13Å; L80-P83 WeakPolarHBondContact O-CD 3.28Å
81	G	97.9	Very high	98	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-90.9	-1.4	-177.4	0	0	0	0	0	115.8	F64 T78 E79 P83 D84 E85	F64-G81 WeakPolarHBondContact O-CA 3.47Å; T78-G81 PolarHBondContact O-N 3.49Å; E79-G81 PolarHBondContact O-N 3.28Å; G81-P83 VanDerWaalsContact C-CD 3.48Å; G81-D84 PolarHBondContact O-N 2.86Å; G81-D84 VanDerWaalsContact O-N 3.15Å; G81-E85 PolarHBondContact O-N 2.86Å
82	R	98.1	Very high	97.9	Very high	138 Å²	138	69.9 Å²	69.9	52%	0.521	34%	0.342	S	S	.	.	H	α-helix	trans	-56.3	-44.2	178.1	-72.6	-173.8	-178	-166.1	10.4	113.3	A76 E79 D84 E85 E86	A76-R82 HydrophobicContact CB-CG 4.14Å; E79-R82 VanDerWaalsContact CD-CZ 3.45Å; E79-R82 VanDerWaalsContact CD-NE 3.29Å; E79-R82 PolarHBondContact O-N 3.41Å; E79-R82 IonicContact OE1-CZ 3.58Å; E79-R82 IonicContact OE1-NE 2.88Å; E79-R82 PolarHBondContact OE1-NE 2.83Å; E79-R82 VanDerWaalsContact OE1-NE 3.12Å; E79-R82 IonicContact OE1-NH2 3.22Å; E79-R82 PolarHBondContact OE1-NH2 2.84Å; E79-R82 IonicContact OE2-CZ 2.65Å; E79-R82 IonicContact OE2-NE 3.3Å; E79-R82 PolarHBondContact OE2-NE 3.45Å; E79-R82 IonicContact OE2-NH1 3.39Å; E79-R82 IonicContact OE2-NH2 2.91Å; E79-R82 PolarHBondContact OE2-NH2 2.82Å; R82-D84 VanDerWaalsContact C-N 3.28Å; R82-D84 PolarHBondContact O-N 3.38Å; R82-E85 PolarHBondContact O-N 3.26Å; R82-E86 PolarHBondContact O-N 2.79Å
83	P	98.1	Very high	97.9	Very high	84 Å²	84	75.9 Å²	75.9	55%	0.545	37%	0.371	S	S	.	.	H	α-helix	trans	-62.5	-37.1	177.2	-21.1	34.2	0	0	0	112.4	L80 G81 Y87	L80-P83 WeakPolarHBondContact O-CD 3.28Å; G81-P83 VanDerWaalsContact C-CD 3.48Å; P83-Y87 WeakPolarHBondContact O-CB 3.46Å; P83-Y87 PolarHBondContact O-N 3.15Å; P83-Y87 VanDerWaalsContact O-N 3.08Å
84	D	97.8	Very high	97.9	Very high	46 Å²	46	74.9 Å²	74.9	25%	0.246	37%	0.367	C	S	.	.	H	α-helix	trans	-70.7	-39.9	180	-61.8	-58.3	0	0	0	111.9	F64 G81 R82 E86 Y87 W88	F64-D84 WeakPolarHBondContact CE2-OD2 3.09Å; G81-D84 PolarHBondContact O-N 2.86Å; G81-D84 VanDerWaalsContact O-N 3.15Å; R82-D84 VanDerWaalsContact C-N 3.28Å; R82-D84 PolarHBondContact O-N 3.38Å; D84-E86 PolarHBondContact O-N 3.26Å; D84-Y87 PolarHBondContact O-N 2.86Å; D84-W88 HydrophobicContact CB-CD2 4.01Å; D84-W88 HydrophobicContact CB-CE3 3.9Å; D84-W88 HydrophobicContact CB-CH2 3.85Å; D84-W88 HydrophobicContact CB-CZ2 3.92Å; D84-W88 HydrophobicContact CB-CZ3 3.84Å; D84-W88 VanDerWaalsContact O-CB 3.23Å; D84-W88 WeakPolarHBondContact O-CB 3.45Å; D84-W88 PolarHBondContact O-N 2.84Å
85	E	98.3	Very high	97.8	Very high	38 Å²	38	75 Å²	75	18%	0.178	37%	0.367	C	S	.	.	H	α-helix	trans	-56.4	-51.5	174.5	175.6	173.9	178	0	0	111.3	R75 A76 G81 R82 N89	R75-E85 WeakPolarHBondContact CD-OE1 3.37Å; R75-E85 IonicContact CZ-OE1 3.11Å; R75-E85 IonicContact NE-OE1 3.18Å; R75-E85 IonicContact NH1-OE1 2.87Å; R75-E85 PolarHBondContact NH1-OE1 2.9Å; A76-E85 HydrophobicContact CB-CB 4.18Å; A76-E85 WeakPolarHBondContact CB-OE2 3.45Å; A76-E85 PolarHBondContact N-OE2 2.84Å; G81-E85 PolarHBondContact O-N 2.86Å; R82-E85 PolarHBondContact O-N 3.26Å; E85-N89 WeakPolarHBondContact O-CB 3.49Å; E85-N89 VanDerWaalsContact O-CG 3.22Å; E85-N89 PolarHBondContact O-N 2.78Å; E85-N89 VanDerWaalsContact O-N 3.08Å; E85-N89 PolarHBondContact O-ND2 3.31Å; E85-N89 VanDerWaalsContact O-ND2 3.16Å
86	E	96.6	Very high	97.8	Very high	152 Å²	152	75.5 Å²	75.5	71%	0.71	38%	0.375	S	S	*	.	H	α-helix	trans	-62.2	-48.1	-179.9	-69	179.7	-171.6	0	0	111.5	R82 D84 S90	R82-E86 PolarHBondContact O-N 2.79Å; D84-E86 PolarHBondContact O-N 3.26Å; E86-S90 PolarHBondContact O-N 3.38Å
87	Y	97.9	Very high	97.7	Very high	143 Å²	143	79.8 Å²	79.8	56%	0.561	39%	0.391	S	S	*	.	H	α-helix	trans	-66.9	-49	-177	179.6	-116.7	0	0	0	112.3	P83 D84 S90 Q91	P83-Y87 WeakPolarHBondContact O-CB 3.46Å; P83-Y87 PolarHBondContact O-N 3.15Å; P83-Y87 VanDerWaalsContact O-N 3.08Å; D84-Y87 PolarHBondContact O-N 2.86Å; Y87-S90 PolarHBondContact O-N 3.38Å; Y87-S90 PolarHBondContact O-OG 2.97Å; Y87-Q91 PolarHBondContact OH-NE2 3.48Å
88	W	98.4	Very high	97.7	Very high	39 Å²	39	77.8 Å²	77.8	15%	0.148	38%	0.377	C	S	.	.	H	α-helix	trans	-68.5	-36.1	-177.9	-63.6	-21.5	0	0	0	112.4	Y57 A65 F74 D84 S90 Q91 L94	Y57-W88 AromaticContact CD1-CH2 3.93Å; Y57-W88 HydrophobicContact CD1-CH2 3.93Å; Y57-W88 AromaticContact CD2-CH2 3.88Å; Y57-W88 HydrophobicContact CD2-CH2 3.88Å; Y57-W88 AromaticContact CD2-CZ3 3.73Å; Y57-W88 HydrophobicContact CD2-CZ3 3.73Å; Y57-W88 AromaticContact CE1-CH2 3.97Å; Y57-W88 HydrophobicContact CE1-CH2 3.97Å; Y57-W88 AromaticContact CE2-CH2 3.95Å; Y57-W88 HydrophobicContact CE2-CH2 3.95Å; Y57-W88 AromaticContact CE2-CZ3 3.72Å; Y57-W88 HydrophobicContact CE2-CZ3 3.72Å; Y57-W88 AromaticContact CG-CH2 3.87Å; Y57-W88 HydrophobicContact CG-CH2 3.87Å; Y57-W88 HydrophobicContact CG-CZ3 4.19Å; Y57-W88 AromaticContact CZ-CH2 3.98Å; A65-W88 HydrophobicContact CB-CH2 4.46Å; A65-W88 HydrophobicContact CB-CZ3 3.81Å; F74-W88 HydrophobicContact CB-CB 4.43Å; F74-W88 HydrophobicContact CB-CE3 4.22Å; F74-W88 HydrophobicContact CD1-CB 4.5Å; F74-W88 HydrophobicContact CD1-CD2 4.24Å; F74-W88 AromaticContact CD1-CE3 3.31Å; F74-W88 HydrophobicContact CD1-CE3 3.31Å; F74-W88 AromaticContact CD1-CZ3 3.85Å; F74-W88 HydrophobicContact CD1-CZ3 3.85Å; F74-W88 HydrophobicContact CD2-CB 3.66Å; F74-W88 HydrophobicContact CE1-CD2 4.31Å; F74-W88 AromaticContact CE1-CE3 3.65Å; F74-W88 HydrophobicContact CE1-CE3 3.65Å; F74-W88 HydrophobicContact CE1-CZ3 4.12Å; F74-W88 HydrophobicContact CE2-CB 3.95Å; F74-W88 HydrophobicContact CG-CB 3.96Å; F74-W88 AromaticContact CG-CE3 3.78Å; F74-W88 HydrophobicContact CG-CE3 3.78Å; F74-W88 HydrophobicContact CZ-CB 4.45Å; F74-W88 HydrophobicContact CZ-CE3 4.4Å; D84-W88 HydrophobicContact CB-CD2 4.01Å; D84-W88 HydrophobicContact CB-CE3 3.9Å; D84-W88 HydrophobicContact CB-CH2 3.85Å; D84-W88 HydrophobicContact CB-CZ2 3.92Å; D84-W88 HydrophobicContact CB-CZ3 3.84Å; D84-W88 VanDerWaalsContact O-CB 3.23Å; D84-W88 WeakPolarHBondContact O-CB 3.45Å; D84-W88 PolarHBondContact O-N 2.84Å; W88-S90 VanDerWaalsContact C-N 3.26Å; W88-S90 PolarHBondContact O-N 2.86Å; W88-Q91 PolarHBondContact O-N 2.93Å; W88-L94 HydrophobicContact CB-CD2 3.88Å; W88-L94 HydrophobicContact CG-CD2 4.01Å
89	N	98.4	Very high	97.7	Very high	24 Å²	24	81.9 Å²	81.9	13%	0.128	39%	0.388	C	S	.	.	H	α-helix	trans	-72.8	-19.3	177.1	-70.2	-24.6	0	0	0	113.6	F74 E85 Q91 K92 L95	F74-N89 WeakPolarHBondContact CB-OD1 3.3Å; F74-N89 PolarHBondContact N-OD1 2.91Å; F74-N89 PolarHBondContact O-ND2 3.13Å; E85-N89 WeakPolarHBondContact O-CB 3.49Å; E85-N89 VanDerWaalsContact O-CG 3.22Å; E85-N89 PolarHBondContact O-N 2.78Å; E85-N89 VanDerWaalsContact O-N 3.08Å; E85-N89 PolarHBondContact O-ND2 3.31Å; E85-N89 VanDerWaalsContact O-ND2 3.16Å; N89-Q91 VanDerWaalsContact C-N 3.32Å; N89-K92 PolarHBondContact O-NZ 2.91Å; N89-L95 HydrophobicContact CB-CD1 4.44Å; N89-L95 WeakPolarHBondContact O-CD1 3.06Å
90	S	97.8	Very high	97.8	Very high	74 Å²	74	77.6 Å²	77.6	52%	0.517	37%	0.373	S	S	.	.	H	α-helix	trans	-73.1	-24.9	171.4	81	0	0	0	0	112.7	E86 Y87 W88 K92	E86-S90 PolarHBondContact O-N 3.38Å; Y87-S90 PolarHBondContact O-N 3.38Å; Y87-S90 PolarHBondContact O-OG 2.97Å; W88-S90 VanDerWaalsContact C-N 3.26Å; W88-S90 PolarHBondContact O-N 2.86Å; S90-K92 PolarHBondContact O-N 3.4Å
91	Q	98.1	Very high	97.8	Very high	73 Å²	73	74 Å²	74	34%	0.341	36%	0.355	S	S	.	.			trans	-86.3	102.6	-180	-65.3	-170.5	56.2	0	0	111.5	Y87 W88 N89 L94 L95	Y87-Q91 PolarHBondContact OH-NE2 3.48Å; W88-Q91 PolarHBondContact O-N 2.93Å; N89-Q91 VanDerWaalsContact C-N 3.32Å; Q91-L94 HydrophobicContact CB-CB 3.95Å; Q91-L94 PolarHBondContact O-N 3.26Å; Q91-L95 PolarHBondContact O-N 2.9Å; Q91-L95 VanDerWaalsContact O-N 3.17Å
92	K	96.8	Very high	97.8	Very high	130 Å²	130	74.5 Å²	74.5	57%	0.565	36%	0.359	S	S	*	.	H	α-helix	trans	-66.7	-41.7	-175.7	-59.4	-53.5	175.8	-161.3	0	113.4	N89 S90 L94 L95 E96	N89-K92 PolarHBondContact O-NZ 2.91Å; S90-K92 PolarHBondContact O-N 3.4Å; K92-L94 VanDerWaalsContact C-N 3.3Å; K92-L94 PolarHBondContact O-N 3.36Å; K92-L95 PolarHBondContact O-N 3.46Å; K92-E96 WeakPolarHBondContact O-CG 3.36Å; K92-E96 PolarHBondContact O-N 3.24Å
93	D	97.7	Very high	97.8	Very high	137 Å²	137	72.6 Å²	72.6	73%	0.733	36%	0.359	S	S	*	.	H	α-helix	trans	-60.5	-41.7	178.8	-56.5	-22.5	0	0	0	111.5	E96 E97	D93-E96 PolarHBondContact O-N 3.5Å; D93-E97 WeakPolarHBondContact O-CB 3.01Å; D93-E97 PolarHBondContact O-N 3.41Å
94	L	97.3	Very high	97.7	Very high	36 Å²	36	77.3 Å²	77.3	19%	0.188	37%	0.366	C	S	.	.	H	α-helix	trans	-63.8	-47.3	176.6	179.2	64.8	0	0	0	111.3	F74 W88 Q91 K92 E96 E97 K98	F74-L94 HydrophobicContact CE2-CD2 3.91Å; F74-L94 HydrophobicContact CE2-CG 4Å; F74-L94 HydrophobicContact CZ-CD2 4.05Å; F74-L94 HydrophobicContact CZ-CG 4.17Å; W88-L94 HydrophobicContact CB-CD2 3.88Å; W88-L94 HydrophobicContact CG-CD2 4.01Å; Q91-L94 HydrophobicContact CB-CB 3.95Å; Q91-L94 PolarHBondContact O-N 3.26Å; K92-L94 VanDerWaalsContact C-N 3.3Å; K92-L94 PolarHBondContact O-N 3.36Å; L94-E96 PolarHBondContact O-N 2.86Å; L94-E97 PolarHBondContact O-N 2.96Å; L94-K98 HydrophobicContact CD1-CG 4.33Å; L94-K98 WeakPolarHBondContact O-CG 3.35Å; L94-K98 PolarHBondContact O-N 2.91Å
95	L	97.5	Very high	97.6	Very high	3 Å²	3	78.2 Å²	78.2	2%	0.016	37%	0.369	C	S	.	.	H	α-helix	trans	-61.6	-43.1	178.2	-81	179.4	0	0	0	112.4	F67 E73 F74 N89 Q91 K92 K98 R99	F67-L95 HydrophobicContact CE2-CD2 4.19Å; E73-L95 HydrophobicContact CB-CD2 4.11Å; F74-L95 HydrophobicContact CD2-CD2 3.85Å; F74-L95 HydrophobicContact CE2-CD2 4.08Å; N89-L95 HydrophobicContact CB-CD1 4.44Å; N89-L95 WeakPolarHBondContact O-CD1 3.06Å; Q91-L95 PolarHBondContact O-N 2.9Å; Q91-L95 VanDerWaalsContact O-N 3.17Å; K92-L95 PolarHBondContact O-N 3.46Å; L95-K98 PolarHBondContact O-N 2.89Å; L95-R99 WeakPolarHBondContact O-CB 3.4Å; L95-R99 WeakPolarHBondContact O-CD 3.4Å; L95-R99 WeakPolarHBondContact O-CG 3.45Å; L95-R99 PolarHBondContact O-N 2.96Å
96	E	97.6	Very high	97.5	Very high	128 Å²	128	76.5 Å²	76.5	60%	0.598	36%	0.361	S	S	*	.	H	α-helix	trans	-64.1	-41.4	177	-72.9	-175.5	-177.4	0	0	111.7	K92 D93 L94 R99 A100	K92-E96 WeakPolarHBondContact O-CG 3.36Å; K92-E96 PolarHBondContact O-N 3.24Å; D93-E96 PolarHBondContact O-N 3.5Å; L94-E96 PolarHBondContact O-N 2.86Å; E96-R99 PolarHBondContact O-N 2.87Å; E96-A100 WeakPolarHBondContact O-CB 3.27Å; E96-A100 PolarHBondContact O-N 2.95Å; E96-A100 VanDerWaalsContact O-N 3.1Å
97	E	97.8	Very high	97.5	Very high	117 Å²	117	73 Å²	73	55%	0.547	34%	0.342	S	S	.	.	H	α-helix	trans	-57.6	-52	173.5	-171.8	-166.8	152	0	0	111	D93 L94 R99 A100 V101	D93-E97 WeakPolarHBondContact O-CB 3.01Å; D93-E97 PolarHBondContact O-N 3.41Å; L94-E97 PolarHBondContact O-N 2.96Å; E97-R99 PolarHBondContact O-N 2.03Å; E97-A100 PolarHBondContact O-N 2.97Å; E97-A100 VanDerWaalsContact O-N 3.11Å; E97-V101 WeakPolarHBondContact O-CG2 3.23Å; E97-V101 PolarHBondContact O-N 2.81Å
98	K	97.9	Very high	97.3	Very high	18 Å²	18	71.3 Å²	71.3	8%	0.078	34%	0.339	C	S	.	.	H	α-helix	trans	-64.3	-39.4	-178.3	-63.4	-54.8	177.8	177.2	0	112.9	F53 E55 F67 F74 L94 L95 A100 V101	F53-K98 HydrophobicContact CE1-CD 4.36Å; E55-K98 VanDerWaalsContact CD-NZ 3.3Å; E55-K98 IonicContact OE1-NZ 3.22Å; E55-K98 PolarHBondContact OE1-NZ 2.78Å; E55-K98 VanDerWaalsContact OE1-NZ 3.12Å; E55-K98 VanDerWaalsContact OE2-CD 3.23Å; E55-K98 WeakPolarHBondContact OE2-CD 3.35Å; E55-K98 WeakPolarHBondContact OE2-CE 3.14Å; E55-K98 IonicContact OE2-NZ 2.64Å; E55-K98 PolarHBondContact OE2-NZ 2.96Å; F67-K98 HydrophobicContact CD1-CB 3.9Å; F67-K98 HydrophobicContact CD2-CB 3.79Å; F67-K98 HydrophobicContact CD2-CG 4.35Å; F67-K98 HydrophobicContact CE1-CB 3.68Å; F67-K98 WeakPolarHBondContact CE1-O 3.24Å; F67-K98 HydrophobicContact CE2-CB 3.55Å; F67-K98 HydrophobicContact CG-CB 3.96Å; F67-K98 HydrophobicContact CG-CG 4.42Å; F67-K98 HydrophobicContact CZ-CB 3.5Å; F74-K98 HydrophobicContact CE2-CG 4.14Å; F74-K98 HydrophobicContact CZ-CD 4.49Å; F74-K98 HydrophobicContact CZ-CG 3.79Å; L94-K98 HydrophobicContact CD1-CG 4.33Å; L94-K98 WeakPolarHBondContact O-CG 3.35Å; L94-K98 PolarHBondContact O-N 2.91Å; L95-K98 PolarHBondContact O-N 2.89Å; K98-A100 PolarHBondContact O-N 2.99Å; K98-V101 HydrophobicContact CD-CG2 4.48Å; K98-V101 WeakPolarHBondContact O-CB 3.42Å; K98-V101 WeakPolarHBondContact O-CG2 3.32Å; K98-V101 PolarHBondContact O-N 2.97Å
99	R	98.2	Very high	97.1	Very high	125 Å²	125	73 Å²	73	47%	0.472	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-29.1	174	-73.9	167.3	-177.5	173.8	-0.5	112.8	F67 G72 L95 E96 E97 P102	F67-R99 HydrophobicContact CE2-CG 4.45Å; F67-R99 HydrophobicContact CZ-CG 3.99Å; G72-R99 VanDerWaalsContact O-CZ 3.23Å; G72-R99 PolarHBondContact O-NE 3.39Å; G72-R99 PolarHBondContact O-NH2 2.84Å; L95-R99 WeakPolarHBondContact O-CB 3.4Å; L95-R99 WeakPolarHBondContact O-CD 3.4Å; L95-R99 WeakPolarHBondContact O-CG 3.45Å; L95-R99 PolarHBondContact O-N 2.96Å; E96-R99 PolarHBondContact O-N 2.87Å; E97-R99 PolarHBondContact O-N 2.03Å; R99-P102 WeakPolarHBondContact O-CD 3.42Å
100	A	98.1	Very high	96.9	Very high	33 Å²	33	76.8 Å²	76.8	27%	0.273	36%	0.364	S	S	.	.	H	α-helix	trans	-83.6	-12.1	178.3	0	0	0	0	0	113.8	E96 E97 K98 D103 R104	E96-A100 WeakPolarHBondContact O-CB 3.27Å; E96-A100 PolarHBondContact O-N 2.95Å; E96-A100 VanDerWaalsContact O-N 3.1Å; E97-A100 PolarHBondContact O-N 2.97Å; E97-A100 VanDerWaalsContact O-N 3.11Å; K98-A100 PolarHBondContact O-N 2.99Å; A100-D103 PolarHBondContact O-N 3.01Å; A100-R104 HydrophobicContact CB-CG 4.41Å; A100-R104 WeakPolarHBondContact O-CB 3.37Å; A100-R104 WeakPolarHBondContact O-CG 3.33Å; A100-R104 PolarHBondContact O-N 2.97Å
101	V	98.3	Very high	96.6	Very high	16 Å²	16	79.1 Å²	79.1	10%	0.097	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-42.4	-177	178.1	0	0	0	0	114.1	F53 E97 K98 D103 R104 M105 C106	F53-V101 HydrophobicContact CB-CB 4.42Å; F53-V101 HydrophobicContact CB-CG1 4.21Å; F53-V101 HydrophobicContact CD1-CB 3.66Å; F53-V101 HydrophobicContact CD1-CG1 3.67Å; F53-V101 HydrophobicContact CD1-CG2 4.19Å; F53-V101 HydrophobicContact CD2-CB 4.37Å; F53-V101 HydrophobicContact CD2-CG1 3.47Å; F53-V101 VanDerWaalsContact CD2-CG1 3.47Å; F53-V101 HydrophobicContact CE1-CB 3.94Å; F53-V101 HydrophobicContact CE1-CG1 3.81Å; F53-V101 HydrophobicContact CE1-CG2 3.99Å; F53-V101 HydrophobicContact CE2-CG1 3.62Å; F53-V101 HydrophobicContact CG-CB 3.89Å; F53-V101 HydrophobicContact CG-CG1 3.49Å; F53-V101 VanDerWaalsContact CG-CG1 3.49Å; F53-V101 HydrophobicContact CZ-CB 4.39Å; F53-V101 HydrophobicContact CZ-CG1 3.77Å; F53-V101 HydrophobicContact CZ-CG2 4.43Å; E97-V101 WeakPolarHBondContact O-CG2 3.23Å; E97-V101 PolarHBondContact O-N 2.81Å; K98-V101 HydrophobicContact CD-CG2 4.48Å; K98-V101 WeakPolarHBondContact O-CB 3.42Å; K98-V101 WeakPolarHBondContact O-CG2 3.32Å; K98-V101 PolarHBondContact O-N 2.97Å; V101-D103 VanDerWaalsContact C-N 3.34Å; V101-D103 PolarHBondContact O-N 3.37Å; V101-R104 CarbonylContact O-C 3.59Å; V101-R104 PolarHBondContact O-N 2.83Å; V101-M105 HydrophobicContact CG1-CB 4.06Å; V101-M105 HydrophobicContact CG1-CE 3.76Å; V101-M105 PolarHBondContact O-N 2.91Å; V101-C106 PolarHBondContact O-N 3.28Å; V101-C106 VanDerWaalsContact O-N 3.08Å
102	P	98	Very high	96.3	Very high	11 Å²	11	80.7 Å²	80.7	7%	0.071	38%	0.377	C	S	.	.	I	π-helix	trans	-54.8	-46.6	177	-25.7	33.2	0	0	0	113.5	Q51 F53 R99 C106 R107	Q51-P102 HydrophobicContact CB-CB 4.01Å; F53-P102 HydrophobicContact CB-CG 3.73Å; R99-P102 WeakPolarHBondContact O-CD 3.42Å; P102-C106 WeakPolarHBondContact O-CB 3.46Å; P102-R107 WeakPolarHBondContact O-CB 3.46Å; P102-R107 PolarHBondContact O-N 2.8Å
103	D	96.9	Very high	95.8	Very high	97 Å²	97	77.4 Å²	77.4	52%	0.519	37%	0.368	S	S	.	.	I	π-helix	trans	-82.7	-23.2	-176.6	-69.4	-33.3	0	0	0	113.1	A100 V101 R107	A100-D103 PolarHBondContact O-N 3.01Å; V101-D103 VanDerWaalsContact C-N 3.34Å; V101-D103 PolarHBondContact O-N 3.37Å; D103-R107 IonicContact OD1-CZ 2.69Å; D103-R107 IonicContact OD1-NH1 3.12Å; D103-R107 PolarHBondContact OD1-NH1 3.06Å; D103-R107 IonicContact OD1-NH2 2.66Å; D103-R107 PolarHBondContact OD1-NH2 2.62Å
104	R	96.1	Very high	95.1	Very high	184 Å²	184	71.1 Å²	71.1	69%	0.694	34%	0.335	S	S	*	.	I	π-helix	trans	-90.5	-91.5	175.8	-66	-175.8	125.3	-171	-0.7	110.5	A100 V101 C106 H108	A100-R104 HydrophobicContact CB-CG 4.41Å; A100-R104 WeakPolarHBondContact O-CB 3.37Å; A100-R104 WeakPolarHBondContact O-CG 3.33Å; A100-R104 PolarHBondContact O-N 2.97Å; V101-R104 CarbonylContact O-C 3.59Å; V101-R104 PolarHBondContact O-N 2.83Å; R104-C106 PolarHBondContact O-N 3.14Å; R104-H108 WeakPolarHBondContact O-CB 3.46Å; R104-H108 PolarHBondContact O-N 2.84Å
105	M	96.1	Very high	94.6	Very high	64 Å²	64	73.8 Å²	73.8	32%	0.315	35%	0.354	S	S	.	.	I	π-helix	trans	-61.8	-48.8	-170.4	-174.6	-170.5	76.5	0	0	112.4	F53 V101 N109	F53-M105 HydrophobicContact CD2-CE 4.41Å; F53-M105 HydrophobicContact CE2-CE 4Å; V101-M105 HydrophobicContact CG1-CB 4.06Å; V101-M105 HydrophobicContact CG1-CE 3.76Å; V101-M105 PolarHBondContact O-N 2.91Å; M105-N109 VanDerWaalsContact O-CB 3.28Å; M105-N109 WeakPolarHBondContact O-CB 3.47Å; M105-N109 PolarHBondContact O-N 2.81Å; M105-N109 PolarHBondContact O-ND2 3.26Å
106	C	96.6	Very high	93.8	Very high	2 Å²	2	80.1 Å²	80.1	1%	0.014	39%	0.386	C	S	.	.	I	π-helix	trans	-66	-52	-173.8	-63.8	0	0	0	0	111.4	C44 Q51 V101 P102 R104 N109 Y110	C44-C106 HydrophobicContact CB-CB 3.58Å; C44-C106 WeakPolarHBondContact CB-SG 3.29Å; C44-C106 WeakPolarHBondContact SG-CA 3.34Å; C44-C106 WeakPolarHBondContact SG-CB 3.21Å; C44-C106 CovalentContact SG-SG 2.04Å; C44-C106 PolarHBondContact SG-SG 2.92Å; Q51-C106 HydrophobicContact CB-CB 4.09Å; Q51-C106 HydrophobicContact CG-CB 4.16Å; V101-C106 PolarHBondContact O-N 3.28Å; V101-C106 VanDerWaalsContact O-N 3.08Å; P102-C106 WeakPolarHBondContact O-CB 3.46Å; R104-C106 PolarHBondContact O-N 3.14Å; C106-N109 PolarHBondContact O-N 2.97Å; C106-Y110 VanDerWaalsContact O-CB 3.28Å; C106-Y110 WeakPolarHBondContact O-CB 3.29Å; C106-Y110 PolarHBondContact O-N 3.32Å
107	R	95.9	Very high	93.1	Very high	79 Å²	79	75.7 Å²	75.7	30%	0.298	37%	0.367	S	S	.	.	H	α-helix	trans	-61.4	-48	176.8	-176.3	172	-63.9	129.1	10.9	111.9	Q51 P102 D103 N109 Y110 E111	Q51-R107 HydrophobicContact CG-CB 4.24Å; P102-R107 WeakPolarHBondContact O-CB 3.46Å; P102-R107 PolarHBondContact O-N 2.8Å; D103-R107 IonicContact OD1-CZ 2.69Å; D103-R107 IonicContact OD1-NH1 3.12Å; D103-R107 PolarHBondContact OD1-NH1 3.06Å; D103-R107 IonicContact OD1-NH2 2.66Å; D103-R107 PolarHBondContact OD1-NH2 2.62Å; R107-N109 PolarHBondContact O-N 2.8Å; R107-Y110 PolarHBondContact O-N 2.8Å; R107-E111 WeakPolarHBondContact CD-OE1 3.42Å; R107-E111 HydrophobicContact CG-CG 4.23Å; R107-E111 WeakPolarHBondContact CG-OE1 3.46Å; R107-E111 WeakPolarHBondContact O-CB 3.43Å; R107-E111 WeakPolarHBondContact O-CG 3.07Å; R107-E111 PolarHBondContact O-N 2.95Å
108	H	94.7	Very high	92.6	Very high	108 Å²	108	74.4 Å²	74.4	50%	0.5	36%	0.364	S	S	.	.	H	α-helix	trans	-56	-49.3	179.2	178.2	72.7	0	0	0	112	R104 Y110 E111 L112	R104-H108 WeakPolarHBondContact O-CB 3.46Å; R104-H108 PolarHBondContact O-N 2.84Å; H108-Y110 PolarHBondContact O-N 2.96Å; H108-E111 PolarHBondContact O-N 3.28Å; H108-L112 WeakPolarHBondContact O-CB 3.27Å; H108-L112 PolarHBondContact O-N 3.49Å
109	N	93.9	Very high	92.2	Very high	75 Å²	75	78.8 Å²	78.8	40%	0.401	38%	0.384	S	S	.	.	H	α-helix	trans	-66.6	-39.2	-180	-71.7	-15.2	0	0	0	112	M105 C106 R107 V113	M105-N109 VanDerWaalsContact O-CB 3.28Å; M105-N109 WeakPolarHBondContact O-CB 3.47Å; M105-N109 PolarHBondContact O-N 2.81Å; M105-N109 PolarHBondContact O-ND2 3.26Å; C106-N109 PolarHBondContact O-N 2.97Å; R107-N109 PolarHBondContact O-N 2.8Å; N109-V113 WeakPolarHBondContact O-CB 3.43Å; N109-V113 WeakPolarHBondContact O-CG2 3.44Å; N109-V113 PolarHBondContact O-N 3.34Å
110	Y	93.1	Very high	92	Very high	102 Å²	102	76.1 Å²	76.1	40%	0.4	37%	0.374	S	S	.	.	H	α-helix	trans	-63.2	-43	177.1	-175	-95.8	0	0	0	111.8	A46 C106 R107 H108 G114 L118	A46-Y110 HydrophobicContact CB-CD2 3.56Å; A46-Y110 HydrophobicContact CB-CE2 3.41Å; A46-Y110 VanDerWaalsContact CB-CE2 3.41Å; A46-Y110 HydrophobicContact CB-CG 4.3Å; C106-Y110 VanDerWaalsContact O-CB 3.28Å; C106-Y110 WeakPolarHBondContact O-CB 3.29Å; C106-Y110 PolarHBondContact O-N 3.32Å; R107-Y110 PolarHBondContact O-N 2.8Å; H108-Y110 PolarHBondContact O-N 2.96Å; Y110-G114 WeakPolarHBondContact O-CA 3.46Å; Y110-G114 PolarHBondContact O-N 3.22Å; Y110-L118 HydrophobicContact CD2-CD1 4.46Å; Y110-L118 HydrophobicContact CE1-CD1 4.02Å; Y110-L118 HydrophobicContact CE2-CD1 3.66Å; Y110-L118 HydrophobicContact CE2-CD2 4.05Å; Y110-L118 HydrophobicContact CE2-CG 4.42Å; Y110-L118 VanDerWaalsContact CZ-CD1 3.4Å; Y110-L118 WeakPolarHBondContact OH-CD1 3.45Å
111	E	92.4	Very high	91.8	Very high	124 Å²	124	80.7 Å²	80.7	58%	0.579	38%	0.384	S	S	*	.	H	α-helix	trans	-72.4	-38	178.7	-70.7	173	-178.8	0	0	112.4	R107 H108 P115	R107-E111 WeakPolarHBondContact CD-OE1 3.42Å; R107-E111 HydrophobicContact CG-CG 4.23Å; R107-E111 WeakPolarHBondContact CG-OE1 3.46Å; R107-E111 WeakPolarHBondContact O-CB 3.43Å; R107-E111 WeakPolarHBondContact O-CG 3.07Å; R107-E111 PolarHBondContact O-N 2.95Å; H108-E111 PolarHBondContact O-N 3.28Å; E111-P115 VanDerWaalsContact O-CD 3.28Å; E111-P115 WeakPolarHBondContact O-CD 3.44Å
112	L	91.6	Very high	91.8	Very high	105 Å²	105	82 Å²	82	55%	0.55	39%	0.392	S	S	.	.	H	α-helix	trans	-69.3	-47.1	179.8	-178.1	67.3	0	0	0	112.2	H108	H108-L112 WeakPolarHBondContact O-CB 3.27Å; H108-L112 PolarHBondContact O-N 3.49Å
113	V	86.7	Confident	91.8	Very high	62 Å²	62	87 Å²	87	38%	0.376	42%	0.415	S	S	.	.	H	α-helix	trans	-96.6	-21.4	-172.2	-174.2	0	0	0	0	111.9	N109 M116 T117	N109-V113 WeakPolarHBondContact O-CB 3.43Å; N109-V113 WeakPolarHBondContact O-CG2 3.44Å; N109-V113 PolarHBondContact O-N 3.34Å; V113-M116 PolarHBondContact O-N 2.89Å; V113-T117 HydrophobicContact CG1-CG2 3.53Å; V113-T117 PolarHBondContact O-N 2.91Å; V113-T117 PolarHBondContact O-OG1 2.92Å; V113-T117 VanDerWaalsContact O-OG1 3.09Å
114	G	83.4	Confident	91.8	Very high	5 Å²	5	83 Å²	83	5%	0.052	39%	0.394	C	S	.	.	H	α-helix	trans	-50.5	-46.4	-177.2	0	0	0	0	0	114.9	Y110 M116 T117 L118	Y110-G114 WeakPolarHBondContact O-CA 3.46Å; Y110-G114 PolarHBondContact O-N 3.22Å; G114-M116 PolarHBondContact O-N 2.98Å; G114-T117 PolarHBondContact O-N 2.92Å; G114-L118 WeakPolarHBondContact O-CB 3.47Å; G114-L118 WeakPolarHBondContact O-CG 3.39Å; G114-L118 PolarHBondContact O-N 3.07Å
115	P	85.1	Confident	91.9	Very high	91 Å²	91	80.4 Å²	80.4	59%	0.591	39%	0.388	S	S	*	.	H	α-helix	trans	-56.2	-34.4	176.9	-27.6	35.8	0	0	0	113.6	E111	E111-P115 VanDerWaalsContact O-CD 3.28Å; E111-P115 WeakPolarHBondContact O-CD 3.44Å
116	M	81.8	Confident	92	Very high	137 Å²	137	78.7 Å²	78.7	68%	0.675	38%	0.381	S	S	*	.	H	α-helix	trans	-84.4	-34	-179.5	-69.7	-174.2	-94	0	0	113.1	V113 G114 R120	V113-M116 PolarHBondContact O-N 2.89Å; G114-M116 PolarHBondContact O-N 2.98Å; M116-R120 WeakPolarHBondContact O-CB 3.36Å
117	T	83.3	Confident	92	Very high	35 Å²	35	82.9 Å²	82.9	22%	0.215	40%	0.403	C	S	.	.	H	α-helix	trans	-100.1	-37.5	-172.4	52.3	0	0	0	0	114.1	V113 G114 W180	V113-T117 HydrophobicContact CG1-CG2 3.53Å; V113-T117 PolarHBondContact O-N 2.91Å; V113-T117 PolarHBondContact O-OG1 2.92Å; V113-T117 VanDerWaalsContact O-OG1 3.09Å; G114-T117 PolarHBondContact O-N 2.92Å; T117-W180 HydrophobicContact CG2-CH2 4.18Å; T117-W180 HydrophobicContact CG2-CZ3 3.98Å
118	L	87.1	Confident	92	Very high	90 Å²	90	79.9 Å²	79.9	47%	0.471	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-33.2	-176	-58.3	170.2	0	0	0	112.2	Y110 G114	Y110-L118 HydrophobicContact CD2-CD1 4.46Å; Y110-L118 HydrophobicContact CE1-CD1 4.02Å; Y110-L118 HydrophobicContact CE2-CD1 3.66Å; Y110-L118 HydrophobicContact CE2-CD2 4.05Å; Y110-L118 HydrophobicContact CE2-CG 4.42Å; Y110-L118 VanDerWaalsContact CZ-CD1 3.4Å; Y110-L118 WeakPolarHBondContact OH-CD1 3.45Å; G114-L118 WeakPolarHBondContact O-CB 3.47Å; G114-L118 WeakPolarHBondContact O-CG 3.39Å; G114-L118 PolarHBondContact O-N 3.07Å
119	Q	88.8	Confident	91.9	Very high	109 Å²	109	76.9 Å²	76.9	51%	0.509	39%	0.385	S	S	.	.	S	Bend	trans	-95.6	2.5	178.3	-60.8	-58.8	-33.6	0	0	113	R121	Q119-R121 PolarHBondContact O-N 2.96Å; Q119-R121 PolarHBondContact O-NH1 2.96Å; Q119-R121 VanDerWaalsContact OE1-NH1 3.13Å
120	R	93.3	Very high	91.7	Very high	70 Å²	70	75.3 Å²	75.3	26%	0.264	38%	0.379	S	S	.	.			trans	-61.9	124.3	177.4	-175.9	168.3	176.7	-91.3	5.6	109.5	M116 V122 Y150 W180	M116-R120 WeakPolarHBondContact O-CB 3.36Å; R120-V122 HydrophobicContact CG-CG2 4.4Å; R120-Y150 HydrophobicContact CB-CD1 3.99Å; R120-Y150 HydrophobicContact CB-CE1 3.92Å; R120-Y150 HydrophobicContact CG-CD1 3.9Å; R120-Y150 HydrophobicContact CG-CE1 4.23Å; R120-Y150 VanDerWaalsContact NH1-CD2 3.26Å; R120-Y150 WeakPolarHBondContact O-CD1 3.36Å; R120-W180 PolarHBondContact NH1-O 2.87Å; R120-W180 PolarHBondContact NH2-O 2.84Å
121	R	95.6	Very high	91.3	Very high	128 Å²	128	71.9 Å²	71.9	48%	0.483	37%	0.37	S	S	.	.			trans	-129.9	125.6	177.4	-71.1	178.3	-174.3	92	2.2	108	Q119 Y150	Q119-R121 PolarHBondContact O-N 2.96Å; Q119-R121 PolarHBondContact O-NH1 2.96Å; Q119-R121 VanDerWaalsContact OE1-NH1 3.13Å; R121-Y150 CarbonylContact C-O 3.53Å; R121-Y150 WeakPolarHBondContact CA-O 3.47Å
122	V	97.1	Very high	90.3	Very high	43 Å²	43	75.5 Å²	75.5	26%	0.261	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-125.7	125.7	173.1	-170.4	0	0	0	0	107.7	R120 D148 F149 Y150 H204 S206	R120-V122 HydrophobicContact CG-CG2 4.4Å; V122-D148 WeakPolarHBondContact CG1-O 3.18Å; V122-F149 WeakPolarHBondContact O-CA 3.39Å; V122-Y150 PolarHBondContact N-O 2.94Å; V122-Y150 PolarHBondContact O-N 3.29Å; V122-H204 PolarHBondContact O-CE1 2.8Å; V122-S206 PolarHBondContact O-OG 2.97Å
123	Q	97.9	Very high	88.7	Confident	117 Å²	117	76 Å²	76	55%	0.547	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-72.2	135.8	-176.6	-68.9	-178	-3.3	0	0	111.9	S206 L207	Q123-S206 VanDerWaalsContact CA-OG 3.27Å; Q123-S206 WeakPolarHBondContact CA-OG 3.34Å; Q123-S206 WeakPolarHBondContact CG-O 3.32Å; Q123-S206 WeakPolarHBondContact CG-OG 3.12Å; Q123-S206 PolarHBondContact NE2-O 2.91Å; Q123-L207 HydrophobicContact CB-CD2 4.15Å; Q123-L207 HydrophobicContact CG-CD2 3.85Å
124	P	98.3	Very high	87	Confident	13 Å²	13	75.4 Å²	75.4	8%	0.084	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-67.6	146.7	176.3	26.3	-32.5	0	0	0	111.8	V146 T147 F149 I154 V202 H204 L207	P124-V146 HydrophobicContact CB-CG1 3.46Å; P124-V146 VanDerWaalsContact CB-CG1 3.46Å; P124-V146 HydrophobicContact CG-CG1 4.48Å; P124-T147 WeakPolarHBondContact CA-O 3.21Å; P124-F149 HydrophobicContact CB-CB 3.79Å; P124-F149 HydrophobicContact CB-CD1 4.23Å; P124-F149 HydrophobicContact CB-CG 4.29Å; P124-F149 HydrophobicContact CG-CB 4.49Å; P124-I154 HydrophobicContact CB-CD1 4.46Å; P124-V202 HydrophobicContact CG-CG1 4.02Å; P124-H204 HydrophobicContact CG-CB 4.25Å; P124-L207 HydrophobicContact CG-CD1 3.82Å; P124-L207 HydrophobicContact CG-CG 4.42Å
125	K	97.9	Very high	85.6	Confident	129 Å²	129	82.1 Å²	82.1	56%	0.561	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.4	161.6	-62.2	175	-168.1	155	0	108.3	V146 T147 D148	K125-V146 CarbonylContact O-C 3.52Å; K125-V146 WeakPolarHBondContact O-CA 3.46Å; K125-T147 PolarHBondContact N-O 2.82Å; K125-T147 PolarHBondContact O-N 3.27Å; K125-D148 WeakPolarHBondContact CD-OD2 3.37Å; K125-D148 WeakPolarHBondContact CE-OD2 3.23Å; K125-D148 IonicContact NZ-OD2 3.6Å; K125-D148 PolarHBondContact NZ-OD2 3.44Å
126	V	98.1	Very high	83.9	Confident	28 Å²	28	85.7 Å²	85.7	17%	0.17	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.9	-175.6	-172.4	0	0	0	0	108.9	V146 V202 V211 V213	V126-V146 HydrophobicContact CG1-CG2 4.48Å; V126-V146 HydrophobicContact CG2-CG1 4.37Å; V126-V202 HydrophobicContact CB-CG2 4.47Å; V126-V202 HydrophobicContact CG1-CG2 3.92Å; V126-V202 HydrophobicContact CG2-CB 4.04Å; V126-V202 HydrophobicContact CG2-CG1 4.41Å; V126-V202 HydrophobicContact CG2-CG2 3.64Å; V126-V211 HydrophobicContact CB-CG1 4.31Å; V126-V211 HydrophobicContact CG2-CB 4.49Å; V126-V211 HydrophobicContact CG2-CG1 3.87Å; V126-V213 HydrophobicContact CB-CG2 3.74Å; V126-V213 HydrophobicContact CG1-CB 4.15Å; V126-V213 HydrophobicContact CG1-CG2 3.57Å
127	N	97.1	Very high	82.3	Confident	91 Å²	91	84.6 Å²	84.6	49%	0.487	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.6	175.8	-178.8	32.8	0	0	0	110	H145	N127-H145 PolarHBondContact N-O 3.08Å; N127-H145 PolarHBondContact O-N 3.32Å
128	V	95.7	Very high	80.8	Confident	15 Å²	15	90.5 Å²	90.5	9%	0.091	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.8	176.7	176.7	0	0	0	0	109.3	L142 V143 C144 W158 C200 V213 W215	V128-L142 HydrophobicContact CG1-CD1 3.79Å; V128-L142 HydrophobicContact CG1-CD2 3.91Å; V128-L142 HydrophobicContact CG1-CG 3.74Å; V128-V143 WeakPolarHBondContact CA-O 3.16Å; V128-C144 HydrophobicContact CG2-CB 4.28Å; V128-W158 HydrophobicContact CG1-CH2 3.75Å; V128-W158 HydrophobicContact CG1-CZ3 4.35Å; V128-W158 HydrophobicContact CG2-CH2 4.14Å; V128-C200 HydrophobicContact CG2-CB 3.6Å; V128-V213 HydrophobicContact CB-CG1 3.99Å; V128-V213 HydrophobicContact CG2-CB 3.89Å; V128-V213 HydrophobicContact CG2-CG1 3.69Å; V128-W215 HydrophobicContact CB-CB 4.43Å; V128-W215 HydrophobicContact CG1-CB 3.59Å; V128-W215 HydrophobicContact CG1-CG 4.07Å
129	S	91.7	Very high	79.5	Confident	45 Å²	45	91.7 Å²	91.7	32%	0.315	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	147	177.4	61.5	0	0	0	0	112.1	V143	S129-V143 PolarHBondContact N-O 2.86Å; S129-V143 PolarHBondContact O-N 3.21Å
130	P	90.6	Very high	79.1	Confident	43 Å²	43	89.1 Å²	89.1	28%	0.279	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	143.5	172.1	27.6	-33	0	0	0	109.8	K132 M190	P130-K132 PolarHBondContact O-N 3.34Å; P130-M190 HydrophobicContact CB-CE 4.36Å
131	S	84.9	Confident	78.9	Confident	29 Å²	29	87.9 Å²	87.9	20%	0.203	45%	0.453	C	S	.	.			trans	-61.9	124	177.1	-167.5	0	0	0	0	109.9	K133 H139 L141	S131-K133 VanDerWaalsContact C-N 3.31Å; S131-K133 PolarHBondContact O-N 2.93Å; S131-K133 VanDerWaalsContact O-N 3.15Å; S131-H139 PolarHBondContact O-ND1 3.41Å; S131-L141 WeakPolarHBondContact CB-O 3.34Å; S131-L141 PolarHBondContact N-O 3.28Å
132	K	70.1	Confident	78.7	Confident	201 Å²	201	81.8 Å²	81.8	87%	0.874	43%	0.43	S	S	*	.			trans	-84.9	75.5	172.3	-63.8	-177.1	-176.3	178.1	0	108.8	P130	P130-K132 PolarHBondContact O-N 3.34Å
133	K	57.5	Low	78.6	Confident	116 Å²	116	80.6 Å²	80.6	50%	0.504	42%	0.422	S	S	.	.			trans	-93.8	151.6	160.4	-66.3	-166.9	-176.8	177.1	0	108.8	S131 Q137	S131-K133 VanDerWaalsContact C-N 3.31Å; S131-K133 PolarHBondContact O-N 2.93Å; S131-K133 VanDerWaalsContact O-N 3.15Å; K133-Q137 HydrophobicContact CB-CB 4.13Å
134	G	51.8	Low	78.6	Confident	49 Å²	49	75 Å²	75	51%	0.505	40%	0.396	S	S	.	.			trans	-54	168.8	-167.9	0	0	0	0	0	114.4	L136 Q137	G134-L136 PolarHBondContact O-N 3.04Å; G134-Q137 PolarHBondContact O-N 3.37Å
135	P	53.1	Low	78.6	Confident	146 Å²	146	77 Å²	77	95%	0.948	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-1.6	-166.2	19.7	-32.2	0	0	0	117.3
136	L	49.7	Very low	78.6	Confident	166 Å²	166	70.9 Å²	70.9	87%	0.869	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-5.5	-179.3	-73.4	157.6	0	0	0	113.9	G134	G134-L136 PolarHBondContact O-N 3.04Å
137	Q	48.7	Very low	78.6	Confident	114 Å²	114	70.7 Å²	70.7	53%	0.533	38%	0.376	S	S	.	.	S	Bend	trans	-107.2	118.9	174.3	-74	-178.6	-2.7	0	0	108.5	K133 G134 H139	K133-Q137 HydrophobicContact CB-CB 4.13Å; G134-Q137 PolarHBondContact O-N 3.37Å; Q137-H139 PolarHBondContact O-N 2.71Å
138	H	52.1	Low	78.6	Confident	158 Å²	158	68.6 Å²	68.6	73%	0.731	37%	0.365	S	S	*	.			trans	-48	140.7	173.8	-63.2	74.3	0	0	0	109.6	N140	H138-N140 WeakPolarHBondContact CB-OD1 3.34Å; H138-N140 PolarHBondContact O-N 3.37Å
139	H	59.7	Low	78.7	Confident	115 Å²	115	67.9 Å²	67.9	53%	0.532	36%	0.361	S	S	.	.	S	Bend	trans	-69.4	52.9	176.1	-65.7	-63.3	0	0	0	111.6	S131 Q137 L141 M190	S131-H139 PolarHBondContact O-ND1 3.41Å; Q137-H139 PolarHBondContact O-N 2.71Å; H139-L141 VanDerWaalsContact C-N 3.28Å; H139-L141 PolarHBondContact O-N 3.17Å; H139-M190 WeakPolarHBondContact O-CE 3.3Å
140	N	79.6	Confident	79	Confident	55 Å²	55	67.9 Å²	67.9	29%	0.294	35%	0.354	S	S	.	.			trans	-87.9	6.9	-172.1	-69	4.9	0	0	0	112.8	H138 E189 M190	H138-N140 WeakPolarHBondContact CB-OD1 3.34Å; H138-N140 PolarHBondContact O-N 3.37Å; N140-E189 CarbonylContact O-C 3.59Å; N140-E189 VanDerWaalsContact O-CA 3.22Å; N140-E189 WeakPolarHBondContact O-CA 3.07Å; N140-M190 PolarHBondContact O-N 3.05Å
141	L	88.9	Confident	79.3	Confident	45 Å²	45	67.7 Å²	67.7	24%	0.236	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.7	178.5	-76.4	166.2	0	0	0	109.7	S131 H139 M187 L188 E189	S131-L141 WeakPolarHBondContact CB-O 3.34Å; S131-L141 PolarHBondContact N-O 3.28Å; H139-L141 VanDerWaalsContact C-N 3.28Å; H139-L141 PolarHBondContact O-N 3.17Å; L141-M187 HydrophobicContact CD2-CB 4.38Å; L141-L188 WeakPolarHBondContact CA-O 3.46Å; L141-E189 HydrophobicContact CD2-CB 4.23Å
142	L	92.6	Very high	79.8	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.7	168.6	-163.7	63.1	0	0	0	108.7	V128 W158 M187 L188 M190 Y198 W215	V128-L142 HydrophobicContact CG1-CD1 3.79Å; V128-L142 HydrophobicContact CG1-CD2 3.91Å; V128-L142 HydrophobicContact CG1-CG 3.74Å; L142-W158 HydrophobicContact CB-CH2 4.22Å; L142-W158 HydrophobicContact CB-CZ2 4.44Å; L142-W158 HydrophobicContact CD2-CE3 4.48Å; L142-W158 HydrophobicContact CD2-CH2 3.44Å; L142-W158 VanDerWaalsContact CD2-CH2 3.44Å; L142-W158 HydrophobicContact CD2-CZ2 4.38Å; L142-W158 HydrophobicContact CD2-CZ3 3.5Å; L142-W158 HydrophobicContact CG-CH2 3.61Å; L142-W158 HydrophobicContact CG-CZ2 4.25Å; L142-W158 HydrophobicContact CG-CZ3 4.21Å; L142-M187 CarbonylContact O-C 3.58Å; L142-M187 VanDerWaalsContact O-CA 3.26Å; L142-M187 WeakPolarHBondContact O-CA 3.22Å; L142-L188 PolarHBondContact N-O 2.95Å; L142-L188 PolarHBondContact O-N 3.24Å; L142-M190 HydrophobicContact CB-CE 4.16Å; L142-M190 HydrophobicContact CB-CG 4.48Å; L142-M190 HydrophobicContact CB-SD 3.8Å; L142-M190 HydrophobicContact CD1-CE 4.21Å; L142-M190 HydrophobicContact CD1-SD 4.4Å; L142-M190 HydrophobicContact CD2-SD 4.4Å; L142-M190 HydrophobicContact CG-SD 4.43Å; L142-Y198 HydrophobicContact CD2-CD1 4.26Å; L142-Y198 HydrophobicContact CD2-CD2 4.49Å; L142-Y198 HydrophobicContact CD2-CG 3.86Å; L142-W215 HydrophobicContact CD1-CB 4.44Å; L142-W215 HydrophobicContact CD1-CD2 3.58Å; L142-W215 HydrophobicContact CD1-CE3 3.92Å; L142-W215 HydrophobicContact CD1-CG 3.81Å; L142-W215 HydrophobicContact CD1-CZ2 4.38Å; L142-W215 HydrophobicContact CD1-CZ3 4.44Å; L142-W215 HydrophobicContact CD2-CB 4.17Å; L142-W215 HydrophobicContact CD2-CD2 4.07Å; L142-W215 HydrophobicContact CD2-CE3 3.77Å; L142-W215 HydrophobicContact CD2-CG 4.24Å
143	V	95.3	Very high	81.1	Confident	17 Å²	17	62.4 Å²	62.4	10%	0.103	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.8	-175.1	-172.2	0	0	0	0	109	V128 S129 L185 M187	V128-V143 WeakPolarHBondContact CA-O 3.16Å; S129-V143 PolarHBondContact N-O 2.86Å; S129-V143 PolarHBondContact O-N 3.21Å; V143-L185 HydrophobicContact CG1-CB 4.36Å; V143-L185 HydrophobicContact CG1-CD2 4.08Å; V143-L185 HydrophobicContact CG1-CG 4.42Å; V143-M187 HydrophobicContact CG1-CG 4.14Å; V143-M187 HydrophobicContact CG2-CG 4.12Å
144	C	97.2	Very high	83	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	104.5	164.8	-171.9	0	0	0	0	108.4	V128 W158 V186 C200	V128-C144 HydrophobicContact CG2-CB 4.28Å; C144-W158 HydrophobicContact CB-CH2 3.98Å; C144-W158 HydrophobicContact CB-CZ2 3.44Å; C144-W158 VanDerWaalsContact CB-CZ2 3.44Å; C144-V186 PolarHBondContact N-O 3.01Å; C144-V186 PolarHBondContact O-N 2.64Å; C144-C200 HydrophobicContact CB-CB 3.66Å; C144-C200 WeakPolarHBondContact CB-SG 3.36Å; C144-C200 WeakPolarHBondContact SG-CB 3.04Å; C144-C200 CovalentContact SG-SG 2.03Å; C144-C200 PolarHBondContact SG-SG 2.9Å
145	H	97.6	Very high	85.2	Confident	56 Å²	56	61 Å²	61	26%	0.259	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.8	178.4	-173.4	-156.5	0	0	0	109	N127 T147 Q183	N127-H145 PolarHBondContact N-O 3.08Å; N127-H145 PolarHBondContact O-N 3.32Å; H145-T147 WeakPolarHBondContact CE1-CG2 3.42Å; H145-T147 WeakPolarHBondContact NE2-CG2 3.29Å; H145-Q183 PolarHBondContact NE2-OE1 3.13Å
146	V	98.4	Very high	87.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.9	-178.9	-170.1	0	0	0	0	108.7	P124 K125 V126 F149 I154 V156 Q183 I184 V202	P124-V146 HydrophobicContact CB-CG1 3.46Å; P124-V146 VanDerWaalsContact CB-CG1 3.46Å; P124-V146 HydrophobicContact CG-CG1 4.48Å; K125-V146 CarbonylContact O-C 3.52Å; K125-V146 WeakPolarHBondContact O-CA 3.46Å; V126-V146 HydrophobicContact CG1-CG2 4.48Å; V126-V146 HydrophobicContact CG2-CG1 4.37Å; V146-F149 HydrophobicContact CB-CE1 4.37Å; V146-F149 HydrophobicContact CG1-CD1 3.92Å; V146-F149 HydrophobicContact CG1-CE1 3.99Å; V146-I154 HydrophobicContact CG1-CD1 3.66Å; V146-V156 HydrophobicContact CG2-CG2 4.12Å; V146-Q183 CarbonylContact O-C 3.58Å; V146-Q183 WeakPolarHBondContact O-CA 3.43Å; V146-Q183 WeakPolarHBondContact O-CB 3.48Å; V146-I184 HydrophobicContact CB-CG2 3.94Å; V146-I184 HydrophobicContact CG2-CG2 4.42Å; V146-I184 PolarHBondContact N-O 3.06Å; V146-I184 PolarHBondContact O-N 2.88Å; V146-V202 HydrophobicContact CG1-CG1 4.16Å; V146-V202 HydrophobicContact CG2-CG2 3.82Å
147	T	98.2	Very high	89.7	Confident	23 Å²	23	50.2 Å²	50.2	14%	0.141	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	166.6	-171.9	65	0	0	0	0	113.2	P124 K125 H145 F149 Q183	P124-T147 WeakPolarHBondContact CA-O 3.21Å; K125-T147 PolarHBondContact N-O 2.82Å; K125-T147 PolarHBondContact O-N 3.27Å; H145-T147 WeakPolarHBondContact CE1-CG2 3.42Å; H145-T147 WeakPolarHBondContact NE2-CG2 3.29Å; T147-F149 VanDerWaalsContact C-N 3.31Å; T147-F149 PolarHBondContact O-N 2.61Å; T147-Q183 HydrophobicContact CG2-CB 4.08Å
148	D	97.7	Very high	92	Very high	48 Å²	48	44.8 Å²	44.8	26%	0.257	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	59.3	32.1	168.6	-52.6	-19.7	0	0	0	114.7	V122 K125 F182	V122-D148 WeakPolarHBondContact CG1-O 3.18Å; K125-D148 WeakPolarHBondContact CD-OD2 3.37Å; K125-D148 WeakPolarHBondContact CE-OD2 3.23Å; K125-D148 IonicContact NZ-OD2 3.6Å; K125-D148 PolarHBondContact NZ-OD2 3.44Å; D148-F182 PolarHBondContact N-O 3.37Å; D148-F182 VanDerWaalsContact N-O 3.13Å
149	F	98	Very high	94.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	158.2	-178.6	65.1	-88.9	0	0	0	113.9	V122 P124 V146 T147 P151 I154 L174 T181 F182 I184 H204	V122-F149 WeakPolarHBondContact O-CA 3.39Å; P124-F149 HydrophobicContact CB-CB 3.79Å; P124-F149 HydrophobicContact CB-CD1 4.23Å; P124-F149 HydrophobicContact CB-CG 4.29Å; P124-F149 HydrophobicContact CG-CB 4.49Å; V146-F149 HydrophobicContact CB-CE1 4.37Å; V146-F149 HydrophobicContact CG1-CD1 3.92Å; V146-F149 HydrophobicContact CG1-CE1 3.99Å; T147-F149 VanDerWaalsContact C-N 3.31Å; T147-F149 PolarHBondContact O-N 2.61Å; F149-P151 WeakPolarHBondContact CD2-O 3.47Å; F149-I154 HydrophobicContact CD1-CD1 3.96Å; F149-I154 HydrophobicContact CD2-CB 4.42Å; F149-I154 HydrophobicContact CD2-CD1 3.86Å; F149-I154 HydrophobicContact CE1-CD1 3.84Å; F149-I154 HydrophobicContact CE2-CB 3.85Å; F149-I154 HydrophobicContact CE2-CD1 3.76Å; F149-I154 HydrophobicContact CE2-CG1 4.42Å; F149-I154 HydrophobicContact CE2-CG2 3.77Å; F149-I154 HydrophobicContact CG-CD1 3.97Å; F149-I154 HydrophobicContact CZ-CB 4.25Å; F149-I154 HydrophobicContact CZ-CD1 3.75Å; F149-I154 HydrophobicContact CZ-CG2 3.77Å; F149-L174 HydrophobicContact CE2-CD1 3.93Å; F149-L174 HydrophobicContact CZ-CD1 3.63Å; F149-T181 WeakPolarHBondContact O-CA 3.2Å; F149-F182 VanDerWaalsContact CD1-O 3.27Å; F149-F182 WeakPolarHBondContact CD1-O 3.48Å; F149-F182 HydrophobicContact CD2-CB 4.15Å; F149-F182 HydrophobicContact CE1-CB 4.24Å; F149-F182 WeakPolarHBondContact CE1-O 3.43Å; F149-F182 HydrophobicContact CE2-CB 3.72Å; F149-F182 HydrophobicContact CZ-CB 3.77Å; F149-F182 PolarHBondContact N-O 2.71Å; F149-F182 PolarHBondContact O-N 2.75Å; F149-I184 HydrophobicContact CE1-CG2 4.05Å; F149-I184 HydrophobicContact CZ-CB 4.47Å; F149-I184 HydrophobicContact CZ-CG2 4Å; F149-H204 AromaticContact CD2-NE2 3.91Å
150	Y	97.3	Very high	95.9	Very high	44 Å²	44	35.2 Å²	35.2	17%	0.173	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-159.5	139	172.8	-173.6	-83.5	0	0	0	110.2	R120 R121 V122 W180 F182 H204	R120-Y150 HydrophobicContact CB-CD1 3.99Å; R120-Y150 HydrophobicContact CB-CE1 3.92Å; R120-Y150 HydrophobicContact CG-CD1 3.9Å; R120-Y150 HydrophobicContact CG-CE1 4.23Å; R120-Y150 VanDerWaalsContact NH1-CD2 3.26Å; R120-Y150 WeakPolarHBondContact O-CD1 3.36Å; R121-Y150 CarbonylContact C-O 3.53Å; R121-Y150 WeakPolarHBondContact CA-O 3.47Å; V122-Y150 PolarHBondContact N-O 2.94Å; V122-Y150 PolarHBondContact O-N 3.29Å; Y150-W180 WeakPolarHBondContact CD2-O 3.38Å; Y150-F182 HydrophobicContact CD2-CD2 4.01Å; Y150-F182 AromaticContact CD2-CE2 3.53Å; Y150-F182 HydrophobicContact CD2-CE2 3.53Å; Y150-F182 AromaticContact CE2-CE2 3.84Å; Y150-F182 HydrophobicContact CE2-CE2 3.84Å; Y150-H204 VanDerWaalsContact C-CE1 3.48Å; Y150-H204 PolarHBondContact O-CE1 3.25Å
151	P	96.5	Very high	96.5	Very high	40 Å²	40	37 Å²	37	26%	0.26	20%	0.2	S	C	.	.	S	Bend	cis	-73.5	-179.2	4.8	32.1	-37.7	0	0	0	114	F149 S153 H204 T205	F149-P151 WeakPolarHBondContact CD2-O 3.47Å; P151-S153 VanDerWaalsContact C-N 3.28Å; P151-S153 PolarHBondContact O-N 2.94Å; P151-H204 PolarHBondContact O-NE2 3.13Å; P151-T205 HydrophobicContact CG-CG2 3.68Å
152	G	96.3	Very high	96.6	Very high	20 Å²	20	37.7 Å²	37.7	21%	0.206	22%	0.218	C	C	.	.	S	Bend	trans	-72.5	-14.6	-174.9	0	0	0	0	0	115.7	I154	G152-I154 PolarHBondContact O-N 2.65Å
153	S	97	Very high	96.7	Very high	99 Å²	99	44.6 Å²	44.6	69%	0.692	25%	0.25	S	S	*	.			trans	-75.4	114	-180	-175.5	0	0	0	0	110.4	P151 H204	P151-S153 VanDerWaalsContact C-N 3.28Å; P151-S153 PolarHBondContact O-N 2.94Å; S153-H204 PolarHBondContact O-CD2 2.87Å
154	I	98.1	Very high	96.8	Very high	35 Å²	35	48.6 Å²	48.6	18%	0.179	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147.7	-177.1	-165.4	163.4	0	0	0	110	P124 V146 F149 G152 V156 I184 V202 E203 H204	P124-I154 HydrophobicContact CB-CD1 4.46Å; V146-I154 HydrophobicContact CG1-CD1 3.66Å; F149-I154 HydrophobicContact CD1-CD1 3.96Å; F149-I154 HydrophobicContact CD2-CB 4.42Å; F149-I154 HydrophobicContact CD2-CD1 3.86Å; F149-I154 HydrophobicContact CE1-CD1 3.84Å; F149-I154 HydrophobicContact CE2-CB 3.85Å; F149-I154 HydrophobicContact CE2-CD1 3.76Å; F149-I154 HydrophobicContact CE2-CG1 4.42Å; F149-I154 HydrophobicContact CE2-CG2 3.77Å; F149-I154 HydrophobicContact CG-CD1 3.97Å; F149-I154 HydrophobicContact CZ-CB 4.25Å; F149-I154 HydrophobicContact CZ-CD1 3.75Å; F149-I154 HydrophobicContact CZ-CG2 3.77Å; G152-I154 PolarHBondContact O-N 2.65Å; I154-V156 HydrophobicContact CD1-CG2 4.5Å; I154-V156 HydrophobicContact CG1-CG2 4.25Å; I154-I184 HydrophobicContact CG2-CG2 4.18Å; I154-V202 HydrophobicContact CD1-CG1 3.75Å; I154-V202 HydrophobicContact CG1-CG1 4.02Å; I154-E203 WeakPolarHBondContact CG1-O 3.33Å; I154-H204 HydrophobicContact CD1-CB 4.42Å; I154-H204 HydrophobicContact CG1-CB 4.22Å
155	Q	98	Very high	96.7	Very high	100 Å²	100	51.2 Å²	51.2	47%	0.467	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.2	172.7	-177.9	171.3	15.7	0	0	109.3	R157 E203	Q155-R157 HydrophobicContact CG-CG 4.47Å; Q155-E203 HydrophobicContact CB-CB 4.26Å; Q155-E203 PolarHBondContact N-O 3.23Å; Q155-E203 PolarHBondContact O-N 2.78Å
156	V	98.2	Very high	96.5	Very high	27 Å²	27	53.8 Å²	53.8	16%	0.164	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.6	-178.2	-177.5	0	0	0	0	108	V146 I154 I184 V186 C200 Q201 V202	V146-V156 HydrophobicContact CG2-CG2 4.12Å; I154-V156 HydrophobicContact CD1-CG2 4.5Å; I154-V156 HydrophobicContact CG1-CG2 4.25Å; V156-I184 HydrophobicContact CG2-CG2 4.41Å; V156-V186 HydrophobicContact CB-CB 4.43Å; V156-V186 HydrophobicContact CB-CG2 3.78Å; V156-V186 HydrophobicContact CG1-CB 3.87Å; V156-V186 HydrophobicContact CG1-CG1 4.25Å; V156-V186 HydrophobicContact CG1-CG2 3.74Å; V156-V186 HydrophobicContact CG2-CG2 4.22Å; V156-C200 VanDerWaalsContact CG1-SG 3.57Å; V156-Q201 CarbonylContact C-O 3.59Å; V156-Q201 WeakPolarHBondContact CA-O 3.23Å; V156-V202 HydrophobicContact CG1-CG2 4.25Å; V156-V202 HydrophobicContact CG2-CG1 4.45Å; V156-V202 HydrophobicContact CG2-CG2 4.22Å
157	R	98	Very high	96.3	Very high	58 Å²	58	57.1 Å²	57.1	22%	0.219	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.6	-178.3	-68.7	-175.6	-68.4	-159.6	0.8	110.9	Q155 F159 E164 Q201 E203	Q155-R157 HydrophobicContact CG-CG 4.47Å; R157-F159 HydrophobicContact CB-CD2 4.48Å; R157-F159 HydrophobicContact CB-CE2 3.74Å; R157-F159 HydrophobicContact CB-CZ 4.41Å; R157-E164 WeakPolarHBondContact CD-OE1 3.38Å; R157-Q201 PolarHBondContact N-O 3.02Å; R157-Q201 PolarHBondContact O-N 2.67Å; R157-E203 IonicContact CZ-OE1 3.54Å; R157-E203 IonicContact NH2-OE1 2.95Å; R157-E203 PolarHBondContact NH2-OE1 2.85Å
158	W	97.9	Very high	95.8	Very high	1 Å²	1	57.8 Å²	57.8	0%	0.004	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	143.4	172.3	-82.6	108.8	0	0	0	110.3	V128 L142 C144 E164 E165 V169 V186 L188 I199 C200	V128-W158 HydrophobicContact CG1-CH2 3.75Å; V128-W158 HydrophobicContact CG1-CZ3 4.35Å; V128-W158 HydrophobicContact CG2-CH2 4.14Å; L142-W158 HydrophobicContact CB-CH2 4.22Å; L142-W158 HydrophobicContact CB-CZ2 4.44Å; L142-W158 HydrophobicContact CD2-CE3 4.48Å; L142-W158 HydrophobicContact CD2-CH2 3.44Å; L142-W158 VanDerWaalsContact CD2-CH2 3.44Å; L142-W158 HydrophobicContact CD2-CZ2 4.38Å; L142-W158 HydrophobicContact CD2-CZ3 3.5Å; L142-W158 HydrophobicContact CG-CH2 3.61Å; L142-W158 HydrophobicContact CG-CZ2 4.25Å; L142-W158 HydrophobicContact CG-CZ3 4.21Å; C144-W158 HydrophobicContact CB-CH2 3.98Å; C144-W158 HydrophobicContact CB-CZ2 3.44Å; C144-W158 VanDerWaalsContact CB-CZ2 3.44Å; W158-E164 WeakPolarHBondContact O-CA 3.36Å; W158-E165 HydrophobicContact CB-CB 4.28Å; W158-E165 PolarHBondContact O-N 3.39Å; W158-V169 HydrophobicContact CB-CG2 4.36Å; W158-V169 HydrophobicContact CG-CG2 4.49Å; W158-V186 PolarHBondContact NE1-O 3.44Å; W158-L188 HydrophobicContact CB-CD2 4.19Å; W158-L188 HydrophobicContact CD2-CB 4.01Å; W158-L188 HydrophobicContact CD2-CD2 4.01Å; W158-L188 HydrophobicContact CE3-CD2 4.13Å; W158-L188 HydrophobicContact CG-CB 4.01Å; W158-L188 HydrophobicContact CG-CD2 4.06Å; W158-L188 HydrophobicContact CZ2-CB 4.39Å; W158-I199 CarbonylContact C-O 3.55Å; W158-I199 WeakPolarHBondContact CA-O 3.4Å; W158-I199 VanDerWaalsContact CE3-O 3.32Å; W158-C200 HydrophobicContact CE3-CB 4.21Å; W158-C200 HydrophobicContact CH2-CB 3.94Å; W158-C200 HydrophobicContact CZ2-CB 4.35Å; W158-C200 HydrophobicContact CZ3-CB 3.86Å
159	F	97.1	Very high	95.7	Very high	38 Å²	38	57.9 Å²	57.9	17%	0.167	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.8	170.1	-62.1	-104	0	0	0	109.9	R157 Q163 E164 Y198 I199 Q201	R157-F159 HydrophobicContact CB-CD2 4.48Å; R157-F159 HydrophobicContact CB-CE2 3.74Å; R157-F159 HydrophobicContact CB-CZ 4.41Å; F159-Q163 CarbonylContact C-O 3.46Å; F159-Q163 WeakPolarHBondContact CA-O 3.21Å; F159-Q163 WeakPolarHBondContact CB-O 3.19Å; F159-E164 HydrophobicContact CD1-CB 3.99Å; F159-E164 HydrophobicContact CE1-CB 3.71Å; F159-E164 HydrophobicContact CE1-CG 4.27Å; F159-E164 HydrophobicContact CZ-CB 4.24Å; F159-E164 HydrophobicContact CZ-CG 4.31Å; F159-Y198 CarbonylContact O-C 3.6Å; F159-Y198 WeakPolarHBondContact O-CA 3.22Å; F159-I199 HydrophobicContact CB-CB 4.22Å; F159-I199 PolarHBondContact N-O 2.75Å; F159-I199 PolarHBondContact O-N 2.87Å; F159-Q201 HydrophobicContact CD2-CB 4.21Å; F159-Q201 HydrophobicContact CE2-CB 3.82Å
160	L	95.1	Very high	95.5	Very high	34 Å²	34	61.6 Å²	61.6	18%	0.178	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.9	169.9	174	57.6	0	0	0	108.2	G162 Q163 E165 D196 Y198	L160-G162 PolarHBondContact O-N 2.93Å; L160-Q163 PolarHBondContact N-O 3.31Å; L160-Q163 PolarHBondContact O-N 2.83Å; L160-E165 HydrophobicContact CB-CG 3.56Å; L160-D196 HydrophobicContact CD1-CB 3.97Å; L160-Y198 HydrophobicContact CD1-CD1 3.98Å; L160-Y198 HydrophobicContact CD1-CD2 4.34Å; L160-Y198 HydrophobicContact CD1-CE1 3.7Å; L160-Y198 HydrophobicContact CD1-CE2 4.09Å; L160-Y198 HydrophobicContact CD1-CG 4.31Å; L160-Y198 HydrophobicContact CD2-CE1 4.33Å; L160-Y198 HydrophobicContact CG-CE1 4.41Å
161	N	93.3	Very high	95.4	Very high	92 Å²	92	63.3 Å²	63.3	49%	0.492	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	32.4	177.8	-59.4	-31.3	0	0	0	113.5	D196 V197	N161-D196 PolarHBondContact ND2-OD1 2.82Å; N161-V197 PolarHBondContact N-O 2.7Å; N161-V197 PolarHBondContact OD1-N 3.09Å
162	G	91.1	Very high	95.4	Very high	59 Å²	59	63.4 Å²	63.4	61%	0.608	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-4.8	179.6	0	0	0	0	0	115.8	L160	L160-G162 PolarHBondContact O-N 2.93Å
163	Q	95.3	Very high	95.4	Very high	146 Å²	146	69.5 Å²	69.5	68%	0.682	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	138.1	175	-64.4	-169.1	-34.1	0	0	110.9	F159 L160 E165	F159-Q163 CarbonylContact C-O 3.46Å; F159-Q163 WeakPolarHBondContact CA-O 3.21Å; F159-Q163 WeakPolarHBondContact CB-O 3.19Å; L160-Q163 PolarHBondContact N-O 3.31Å; L160-Q163 PolarHBondContact O-N 2.83Å; Q163-E165 PolarHBondContact O-N 2.88Å
164	E	96.7	Very high	95.4	Very high	100 Å²	100	68.4 Å²	68.4	47%	0.467	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.5	178.8	-173.7	173	178.8	0	0	110.5	R157 W158 F159 T166	R157-E164 WeakPolarHBondContact CD-OE1 3.38Å; W158-E164 WeakPolarHBondContact O-CA 3.36Å; F159-E164 HydrophobicContact CD1-CB 3.99Å; F159-E164 HydrophobicContact CE1-CB 3.71Å; F159-E164 HydrophobicContact CE1-CG 4.27Å; F159-E164 HydrophobicContact CZ-CB 4.24Å; F159-E164 HydrophobicContact CZ-CG 4.31Å; E164-T166 HydrophobicContact CG-CG2 4.44Å
165	E	94.7	Very high	95.3	Very high	56 Å²	56	69.8 Å²	69.8	26%	0.262	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.9	178.6	-74.9	-62.7	173.4	0	0	110.8	W158 L160 Q163 V169 L188	W158-E165 HydrophobicContact CB-CB 4.28Å; W158-E165 PolarHBondContact O-N 3.39Å; L160-E165 HydrophobicContact CB-CG 3.56Å; Q163-E165 PolarHBondContact O-N 2.88Å; E165-V169 WeakPolarHBondContact O-CG2 3.49Å; E165-L188 HydrophobicContact CB-CD1 4.33Å
166	T	94.7	Very high	95.3	Very high	109 Å²	109	73.5 Å²	73.5	67%	0.669	41%	0.412	S	S	*	.			trans	-120.1	-23.6	178	56.9	0	0	0	0	112	E164	E164-T166 HydrophobicContact CG-CG2 4.44Å
167	A	92.4	Very high	95.2	Very high	70 Å²	70	74.7 Å²	74.7	58%	0.579	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	132.9	175.1	0	0	0	0	0	110.2	V169	A167-V169 PolarHBondContact O-N 3.3Å
168	G	89.1	Confident	95.1	Very high	37 Å²	37	75.1 Å²	75.1	38%	0.381	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	10.8	179	0	0	0	0	0	114.9	E189	G168-E189 PolarHBondContact O-N 2.96Å
169	V	95	Very high	94.9	Very high	50 Å²	50	79.6 Å²	79.6	30%	0.303	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	125.6	173.3	-179.5	0	0	0	0	110.3	W158 E165 A167 V186 M187 L188	W158-V169 HydrophobicContact CB-CG2 4.36Å; W158-V169 HydrophobicContact CG-CG2 4.49Å; E165-V169 WeakPolarHBondContact O-CG2 3.49Å; A167-V169 PolarHBondContact O-N 3.3Å; V169-V186 HydrophobicContact CG1-CG1 3.67Å; V169-M187 CarbonylContact C-O 3.46Å; V169-M187 VanDerWaalsContact CA-O 3.31Å; V169-M187 WeakPolarHBondContact CA-O 3.34Å; V169-L188 HydrophobicContact CG2-CD1 3.7Å
170	V	94.3	Very high	94.8	Very high	79 Å²	79	84.6 Å²	84.6	48%	0.479	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.1	175.7	-63.6	0	0	0	0	110.4	M187	V170-M187 HydrophobicContact CG2-CB 3.82Å; V170-M187 HydrophobicContact CG2-CE 3.99Å; V170-M187 HydrophobicContact CG2-SD 4.45Å; V170-M187 PolarHBondContact N-O 3.13Å; V170-M187 PolarHBondContact O-N 3.22Å
171	S	95.8	Very high	94.9	Very high	80 Å²	80	83.6 Å²	83.6	56%	0.559	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	151.1	179.8	63.8	0	0	0	0	112	L185	S171-L185 CarbonylContact C-O 3.59Å; S171-L185 VanDerWaalsContact CA-O 3.3Å; S171-L185 WeakPolarHBondContact CA-O 3.47Å
172	T	94.9	Very high	95.1	Very high	42 Å²	42	79.9 Å²	79.9	26%	0.258	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-72.2	164.2	164.9	62.1	0	0	0	0	110.7	L185 M187	T172-L185 HydrophobicContact CG2-CB 3.89Å; T172-L185 HydrophobicContact CG2-CD1 4.47Å; T172-L185 PolarHBondContact N-O 3.38Å; T172-L185 PolarHBondContact OG1-N 2.72Å; T172-L185 VanDerWaalsContact OG1-N 3.14Å; T172-M187 HydrophobicContact CG2-CE 4.19Å
173	N	96.2	Very high	95.5	Very high	147 Å²	147	79.4 Å²	79.4	79%	0.786	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-60.1	157.9	159	-68.1	-33.5	0	0	0	109.8	I175	N173-I175 PolarHBondContact O-N 2.78Å
174	L	96.9	Very high	95.6	Very high	76 Å²	76	73.5 Å²	73.5	40%	0.398	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-62.4	121.5	172.4	-173.6	70.8	0	0	0	109.7	F149 F182	F149-L174 HydrophobicContact CE2-CD1 3.93Å; F149-L174 HydrophobicContact CZ-CD1 3.63Å; L174-F182 HydrophobicContact CD1-CB 3.81Å; L174-F182 HydrophobicContact CD1-CD1 4.22Å; L174-F182 HydrophobicContact CD1-CG 4.21Å; L174-F182 HydrophobicContact CD2-CD1 3.59Å; L174-F182 HydrophobicContact CD2-CE1 3.85Å; L174-F182 HydrophobicContact CD2-CG 4.09Å; L174-F182 HydrophobicContact CG-CB 4.22Å; L174-F182 HydrophobicContact CG-CD1 3.69Å; L174-F182 HydrophobicContact CG-CE1 4.37Å; L174-F182 HydrophobicContact CG-CG 4.18Å
175	I	97.6	Very high	95.6	Very high	64 Å²	64	70.8 Å²	70.8	33%	0.328	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.1	-178.1	-60.8	163.5	0	0	0	108.4	N173 F182 Q183 L185	N173-I175 PolarHBondContact O-N 2.78Å; I175-F182 CarbonylContact O-C 3.55Å; I175-F182 VanDerWaalsContact O-CA 3.23Å; I175-F182 WeakPolarHBondContact O-CA 3.46Å; I175-Q183 HydrophobicContact CB-CG 3.53Å; I175-Q183 WeakPolarHBondContact CB-O 3.37Å; I175-Q183 HydrophobicContact CD1-CG 3.98Å; I175-Q183 HydrophobicContact CG1-CG 4.32Å; I175-Q183 HydrophobicContact CG2-CG 3.68Å; I175-Q183 PolarHBondContact N-O 3.25Å; I175-Q183 PolarHBondContact O-N 2.95Å; I175-L185 HydrophobicContact CD1-CD1 4.11Å
176	R	97.1	Very high	95.8	Very high	179 Å²	179	68.4 Å²	68.4	68%	0.675	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.2	173.9	-175.4	-176.9	-66.4	-92.2	1.7	109.5	F182	R176-F182 HydrophobicContact CB-CD1 4.19Å; R176-F182 HydrophobicContact CB-CE1 4.04Å; R176-F182 HydrophobicContact CG-CE1 4.09Å
177	N	96.3	Very high	95.8	Very high	52 Å²	52	65.3 Å²	65.3	28%	0.278	37%	0.368	S	S	.	.			trans	-77.5	-22	-174.2	-66.6	-16.7	0	0	0	113.7	D179 T181 Q183	N177-D179 VanDerWaalsContact C-N 3.32Å; N177-D179 WeakPolarHBondContact CB-OD1 3.2Å; N177-T181 WeakPolarHBondContact CB-O 3.1Å; N177-T181 PolarHBondContact N-O 3.43Å; N177-T181 VanDerWaalsContact N-O 3.08Å; N177-T181 PolarHBondContact ND2-OG1 2.72Å; N177-Q183 WeakPolarHBondContact OD1-CG 3.45Å; N177-Q183 PolarHBondContact OD1-NE2 2.87Å
178	G	95	Very high	95.9	Very high	67 Å²	67	62.2 Å²	62.2	69%	0.691	34%	0.341	S	S	*	.	S	Bend	trans	89.7	-8.3	-175.1	0	0	0	0	0	114.2
179	D	95.6	Very high	96	Very high	94 Å²	94	66.5 Å²	66.5	50%	0.503	35%	0.351	S	S	.	.	S	Bend	trans	-104.2	22.6	176.9	68.5	-5.4	0	0	0	112.9	N177 T181	N177-D179 VanDerWaalsContact C-N 3.32Å; N177-D179 WeakPolarHBondContact CB-OD1 3.2Å; D179-T181 VanDerWaalsContact C-N 3.27Å; D179-T181 PolarHBondContact O-N 3.5Å; D179-T181 WeakPolarHBondContact OD1-CB 3.39Å; D179-T181 PolarHBondContact OD1-N 3.01Å; D179-T181 PolarHBondContact OD1-OG1 3.12Å; D179-T181 PolarHBondContact OD2-OG1 2.69Å
180	W	93.9	Very high	95.7	Very high	144 Å²	144	64.4 Å²	64.4	55%	0.545	34%	0.339	S	S	.	.	S	Bend	trans	66.1	21.2	-173.1	-63.7	62.2	0	0	0	114.9	T117 R120 Y150	T117-W180 HydrophobicContact CG2-CH2 4.18Å; T117-W180 HydrophobicContact CG2-CZ3 3.98Å; R120-W180 PolarHBondContact NH1-O 2.87Å; R120-W180 PolarHBondContact NH2-O 2.84Å; Y150-W180 WeakPolarHBondContact CD2-O 3.38Å
181	T	97.4	Very high	95.3	Very high	12 Å²	12	66 Å²	66	7%	0.074	35%	0.348	C	S	.	.			trans	-119.5	165.6	168	69.3	0	0	0	0	111.9	F149 N177 D179	F149-T181 WeakPolarHBondContact O-CA 3.2Å; N177-T181 WeakPolarHBondContact CB-O 3.1Å; N177-T181 PolarHBondContact N-O 3.43Å; N177-T181 VanDerWaalsContact N-O 3.08Å; N177-T181 PolarHBondContact ND2-OG1 2.72Å; D179-T181 VanDerWaalsContact C-N 3.27Å; D179-T181 PolarHBondContact O-N 3.5Å; D179-T181 WeakPolarHBondContact OD1-CB 3.39Å; D179-T181 PolarHBondContact OD1-N 3.01Å; D179-T181 PolarHBondContact OD1-OG1 3.12Å; D179-T181 PolarHBondContact OD2-OG1 2.69Å
182	F	98.2	Very high	94.8	Very high	14 Å²	14	64.9 Å²	64.9	6%	0.061	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	159.8	176.3	-61.2	-83.9	0	0	0	111.1	D148 F149 Y150 L174 I175 R176	D148-F182 PolarHBondContact N-O 3.37Å; D148-F182 VanDerWaalsContact N-O 3.13Å; F149-F182 VanDerWaalsContact CD1-O 3.27Å; F149-F182 WeakPolarHBondContact CD1-O 3.48Å; F149-F182 HydrophobicContact CD2-CB 4.15Å; F149-F182 HydrophobicContact CE1-CB 4.24Å; F149-F182 WeakPolarHBondContact CE1-O 3.43Å; F149-F182 HydrophobicContact CE2-CB 3.72Å; F149-F182 HydrophobicContact CZ-CB 3.77Å; F149-F182 PolarHBondContact N-O 2.71Å; F149-F182 PolarHBondContact O-N 2.75Å; Y150-F182 HydrophobicContact CD2-CD2 4.01Å; Y150-F182 AromaticContact CD2-CE2 3.53Å; Y150-F182 HydrophobicContact CD2-CE2 3.53Å; Y150-F182 AromaticContact CE2-CE2 3.84Å; Y150-F182 HydrophobicContact CE2-CE2 3.84Å; L174-F182 HydrophobicContact CD1-CB 3.81Å; L174-F182 HydrophobicContact CD1-CD1 4.22Å; L174-F182 HydrophobicContact CD1-CG 4.21Å; L174-F182 HydrophobicContact CD2-CD1 3.59Å; L174-F182 HydrophobicContact CD2-CE1 3.85Å; L174-F182 HydrophobicContact CD2-CG 4.09Å; L174-F182 HydrophobicContact CG-CB 4.22Å; L174-F182 HydrophobicContact CG-CD1 3.69Å; L174-F182 HydrophobicContact CG-CE1 4.37Å; L174-F182 HydrophobicContact CG-CG 4.18Å; I175-F182 CarbonylContact O-C 3.55Å; I175-F182 VanDerWaalsContact O-CA 3.23Å; I175-F182 WeakPolarHBondContact O-CA 3.46Å; R176-F182 HydrophobicContact CB-CD1 4.19Å; R176-F182 HydrophobicContact CB-CE1 4.04Å; R176-F182 HydrophobicContact CG-CE1 4.09Å
183	Q	98.1	Very high	94.3	Very high	50 Å²	50	69.5 Å²	69.5	23%	0.234	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	153.9	168.3	65.7	-177.3	-67.5	0	0	110.5	H145 V146 T147 I175 N177	H145-Q183 PolarHBondContact NE2-OE1 3.13Å; V146-Q183 CarbonylContact O-C 3.58Å; V146-Q183 WeakPolarHBondContact O-CA 3.43Å; V146-Q183 WeakPolarHBondContact O-CB 3.48Å; T147-Q183 HydrophobicContact CG2-CB 4.08Å; I175-Q183 HydrophobicContact CB-CG 3.53Å; I175-Q183 WeakPolarHBondContact CB-O 3.37Å; I175-Q183 HydrophobicContact CD1-CG 3.98Å; I175-Q183 HydrophobicContact CG1-CG 4.32Å; I175-Q183 HydrophobicContact CG2-CG 3.68Å; I175-Q183 PolarHBondContact N-O 3.25Å; I175-Q183 PolarHBondContact O-N 2.95Å; N177-Q183 WeakPolarHBondContact OD1-CG 3.45Å; N177-Q183 PolarHBondContact OD1-NE2 2.87Å
184	I	98.3	Very high	93.7	Very high	21 Å²	21	70.9 Å²	70.9	11%	0.108	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	143.1	174.5	-169.6	169.6	0	0	0	109.6	V146 F149 I154 V156 V186	V146-I184 HydrophobicContact CB-CG2 3.94Å; V146-I184 HydrophobicContact CG2-CG2 4.42Å; V146-I184 PolarHBondContact N-O 3.06Å; V146-I184 PolarHBondContact O-N 2.88Å; F149-I184 HydrophobicContact CE1-CG2 4.05Å; F149-I184 HydrophobicContact CZ-CB 4.47Å; F149-I184 HydrophobicContact CZ-CG2 4Å; I154-I184 HydrophobicContact CG2-CG2 4.18Å; V156-I184 HydrophobicContact CG2-CG2 4.41Å; I184-V186 HydrophobicContact CD1-CG2 4.45Å; I184-V186 HydrophobicContact CG1-CG2 4.32Å
185	L	97.1	Very high	93.2	Very high	44 Å²	44	69.9 Å²	69.9	23%	0.23	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.6	173.3	-69.4	77.2	0	0	0	108.3	V143 S171 T172 I175	V143-L185 HydrophobicContact CG1-CB 4.36Å; V143-L185 HydrophobicContact CG1-CD2 4.08Å; V143-L185 HydrophobicContact CG1-CG 4.42Å; S171-L185 CarbonylContact C-O 3.59Å; S171-L185 VanDerWaalsContact CA-O 3.3Å; S171-L185 WeakPolarHBondContact CA-O 3.47Å; T172-L185 HydrophobicContact CG2-CB 3.89Å; T172-L185 HydrophobicContact CG2-CD1 4.47Å; T172-L185 PolarHBondContact N-O 3.38Å; T172-L185 PolarHBondContact OG1-N 2.72Å; T172-L185 VanDerWaalsContact OG1-N 3.14Å; I175-L185 HydrophobicContact CD1-CD1 4.11Å
186	V	97.3	Very high	92.8	Very high	6 Å²	6	67.9 Å²	67.9	4%	0.036	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	115.8	174.2	-174	0	0	0	0	108.4	C144 V156 W158 V169 I184	C144-V186 PolarHBondContact N-O 3.01Å; C144-V186 PolarHBondContact O-N 2.64Å; V156-V186 HydrophobicContact CB-CB 4.43Å; V156-V186 HydrophobicContact CB-CG2 3.78Å; V156-V186 HydrophobicContact CG1-CB 3.87Å; V156-V186 HydrophobicContact CG1-CG1 4.25Å; V156-V186 HydrophobicContact CG1-CG2 3.74Å; V156-V186 HydrophobicContact CG2-CG2 4.22Å; W158-V186 PolarHBondContact NE1-O 3.44Å; V169-V186 HydrophobicContact CG1-CG1 3.67Å; I184-V186 HydrophobicContact CD1-CG2 4.45Å; I184-V186 HydrophobicContact CG1-CG2 4.32Å
187	M	95.1	Very high	92.7	Very high	44 Å²	44	60.9 Å²	60.9	22%	0.217	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.5	-171	-58	164.1	-88.2	0	0	109.3	L141 L142 V143 V169 V170 T172	L141-M187 HydrophobicContact CD2-CB 4.38Å; L142-M187 CarbonylContact O-C 3.58Å; L142-M187 VanDerWaalsContact O-CA 3.26Å; L142-M187 WeakPolarHBondContact O-CA 3.22Å; V143-M187 HydrophobicContact CG1-CG 4.14Å; V143-M187 HydrophobicContact CG2-CG 4.12Å; V169-M187 CarbonylContact C-O 3.46Å; V169-M187 VanDerWaalsContact CA-O 3.31Å; V169-M187 WeakPolarHBondContact CA-O 3.34Å; V170-M187 HydrophobicContact CG2-CB 3.82Å; V170-M187 HydrophobicContact CG2-CE 3.99Å; V170-M187 HydrophobicContact CG2-SD 4.45Å; V170-M187 PolarHBondContact N-O 3.13Å; V170-M187 PolarHBondContact O-N 3.22Å; T172-M187 HydrophobicContact CG2-CE 4.19Å
188	L	94.8	Very high	92.6	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125	175.9	172.6	66.9	0	0	0	109.1	L141 L142 W158 E165 V169 Y198	L141-L188 WeakPolarHBondContact CA-O 3.46Å; L142-L188 PolarHBondContact N-O 2.95Å; L142-L188 PolarHBondContact O-N 3.24Å; W158-L188 HydrophobicContact CB-CD2 4.19Å; W158-L188 HydrophobicContact CD2-CB 4.01Å; W158-L188 HydrophobicContact CD2-CD2 4.01Å; W158-L188 HydrophobicContact CE3-CD2 4.13Å; W158-L188 HydrophobicContact CG-CB 4.01Å; W158-L188 HydrophobicContact CG-CD2 4.06Å; W158-L188 HydrophobicContact CZ2-CB 4.39Å; E165-L188 HydrophobicContact CB-CD1 4.33Å; V169-L188 HydrophobicContact CG2-CD1 3.7Å; L188-Y198 HydrophobicContact CD2-CD1 3.65Å; L188-Y198 HydrophobicContact CD2-CE1 3.94Å
189	E	92	Very high	92.7	Very high	127 Å²	127	57.1 Å²	57.1	59%	0.593	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	124.2	166.8	-170.4	168.9	-164.7	0	0	110.1	N140 L141 G168	N140-E189 CarbonylContact O-C 3.59Å; N140-E189 VanDerWaalsContact O-CA 3.22Å; N140-E189 WeakPolarHBondContact O-CA 3.07Å; L141-E189 HydrophobicContact CD2-CB 4.23Å; G168-E189 PolarHBondContact O-N 2.96Å
190	M	87.6	Confident	92.9	Very high	7 Å²	7	52.7 Å²	52.7	3%	0.034	27%	0.274	C	S	.	.			trans	-129.8	149.5	-171.5	63.7	169.2	-178.8	0	0	112.9	P130 H139 N140 L142 P192 Y198 W215	P130-M190 HydrophobicContact CB-CE 4.36Å; H139-M190 WeakPolarHBondContact O-CE 3.3Å; N140-M190 PolarHBondContact O-N 3.05Å; L142-M190 HydrophobicContact CB-CE 4.16Å; L142-M190 HydrophobicContact CB-CG 4.48Å; L142-M190 HydrophobicContact CB-SD 3.8Å; L142-M190 HydrophobicContact CD1-CE 4.21Å; L142-M190 HydrophobicContact CD1-SD 4.4Å; L142-M190 HydrophobicContact CD2-SD 4.4Å; L142-M190 HydrophobicContact CG-SD 4.43Å; M190-P192 HydrophobicContact SD-CB 4.48Å; M190-P192 HydrophobicContact SD-CG 4.41Å; M190-Y198 HydrophobicContact CB-CE1 3.92Å; M190-Y198 HydrophobicContact SD-CE2 4.41Å; M190-W215 HydrophobicContact CE-CH2 3.76Å; M190-W215 HydrophobicContact CE-CZ2 4.32Å; M190-W215 HydrophobicContact CE-CZ3 4.12Å; M190-W215 HydrophobicContact SD-CE3 4.48Å; M190-W215 HydrophobicContact SD-CH2 3.98Å; M190-W215 HydrophobicContact SD-CZ3 3.72Å
191	T	87.1	Confident	93.1	Very high	111 Å²	111	47.3 Å²	47.3	68%	0.681	26%	0.255	S	S	*	.			trans	-124.5	74.9	169.8	45.2	0	0	0	0	108.8	Q193	T191-Q193 PolarHBondContact O-N 3.36Å
192	P	83.9	Confident	93.1	Very high	57 Å²	57	46.8 Å²	46.8	37%	0.37	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-66.1	126.8	-164.2	25.9	-34.3	0	0	0	112.3	M190 Y198 A217	M190-P192 HydrophobicContact SD-CB 4.48Å; M190-P192 HydrophobicContact SD-CG 4.41Å; P192-Y198 HydrophobicContact CB-CE2 4.32Å; P192-A217 HydrophobicContact CB-CB 3.77Å
193	Q	84.8	Confident	93.1	Very high	139 Å²	139	49.1 Å²	49.1	65%	0.65	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-98.8	158.6	168.6	-55.1	-170.7	15.8	0	0	111.1	T191 G195 D196 A217	T191-Q193 PolarHBondContact O-N 3.36Å; Q193-G195 PolarHBondContact O-N 2.82Å; Q193-G195 VanDerWaalsContact O-N 3.16Å; Q193-D196 WeakPolarHBondContact CA-OD2 3.07Å; Q193-D196 VanDerWaalsContact CB-OD2 3.3Å; Q193-D196 WeakPolarHBondContact CB-OD2 3.46Å; Q193-D196 PolarHBondContact N-OD2 2.85Å; Q193-D196 WeakPolarHBondContact O-CB 3.28Å; Q193-D196 PolarHBondContact O-N 2.88Å; Q193-D196 VanDerWaalsContact O-N 3.13Å; Q193-A217 WeakPolarHBondContact O-CB 3.28Å
194	Q	84.1	Confident	93.1	Very high	176 Å²	176	47.3 Å²	47.3	82%	0.822	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	119.8	179.2	-174.9	172.5	9.5	0	0	110.4
195	G	85.2	Confident	93.1	Very high	55 Å²	55	50.3 Å²	50.3	57%	0.567	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.6	-9.4	-178.4	0	0	0	0	0	114.1	Q193 V197	Q193-G195 PolarHBondContact O-N 2.82Å; Q193-G195 VanDerWaalsContact O-N 3.16Å; G195-V197 PolarHBondContact O-N 2.76Å
196	D	91.1	Very high	93	Very high	22 Å²	22	48.8 Å²	48.8	12%	0.118	27%	0.267	C	S	.	.			trans	-62.1	135.1	174.7	-76.4	-23.4	0	0	0	111.5	L160 N161 Q193 Y198 A217	L160-D196 HydrophobicContact CD1-CB 3.97Å; N161-D196 PolarHBondContact ND2-OD1 2.82Å; Q193-D196 WeakPolarHBondContact CA-OD2 3.07Å; Q193-D196 VanDerWaalsContact CB-OD2 3.3Å; Q193-D196 WeakPolarHBondContact CB-OD2 3.46Å; Q193-D196 PolarHBondContact N-OD2 2.85Å; Q193-D196 WeakPolarHBondContact O-CB 3.28Å; Q193-D196 PolarHBondContact O-N 2.88Å; Q193-D196 VanDerWaalsContact O-N 3.13Å; D196-Y198 HydrophobicContact CB-CD2 4.37Å; D196-Y198 HydrophobicContact CB-CE2 3.73Å; D196-A217 HydrophobicContact CB-CB 4.48Å; D196-A217 PolarHBondContact O-N 2.77Å
197	V	94	Very high	93	Very high	32 Å²	32	49.9 Å²	49.9	19%	0.194	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.7	176.4	-173.6	0	0	0	0	108.6	N161 G195 I199 E214 K216	N161-V197 PolarHBondContact N-O 2.7Å; N161-V197 PolarHBondContact OD1-N 3.09Å; G195-V197 PolarHBondContact O-N 2.76Å; V197-I199 HydrophobicContact CG1-CG1 4.21Å; V197-E214 HydrophobicContact CG1-CB 4.49Å; V197-K216 HydrophobicContact CG1-CG 4.27Å; V197-K216 HydrophobicContact CG2-CD 4.25Å; V197-K216 HydrophobicContact CG2-CG 4.12Å
198	Y	95	Very high	93.1	Very high	7 Å²	7	56 Å²	56	3%	0.027	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	137.5	174.5	-63.1	-95.6	0	0	0	109.2	L142 F159 L160 L188 M190 P192 D196 E214 W215	L142-Y198 HydrophobicContact CD2-CD1 4.26Å; L142-Y198 HydrophobicContact CD2-CD2 4.49Å; L142-Y198 HydrophobicContact CD2-CG 3.86Å; F159-Y198 CarbonylContact O-C 3.6Å; F159-Y198 WeakPolarHBondContact O-CA 3.22Å; L160-Y198 HydrophobicContact CD1-CD1 3.98Å; L160-Y198 HydrophobicContact CD1-CD2 4.34Å; L160-Y198 HydrophobicContact CD1-CE1 3.7Å; L160-Y198 HydrophobicContact CD1-CE2 4.09Å; L160-Y198 HydrophobicContact CD1-CG 4.31Å; L160-Y198 HydrophobicContact CD2-CE1 4.33Å; L160-Y198 HydrophobicContact CG-CE1 4.41Å; L188-Y198 HydrophobicContact CD2-CD1 3.65Å; L188-Y198 HydrophobicContact CD2-CE1 3.94Å; M190-Y198 HydrophobicContact CB-CE1 3.92Å; M190-Y198 HydrophobicContact SD-CE2 4.41Å; P192-Y198 HydrophobicContact CB-CE2 4.32Å; D196-Y198 HydrophobicContact CB-CD2 4.37Å; D196-Y198 HydrophobicContact CB-CE2 3.73Å; Y198-E214 CarbonylContact O-C 3.57Å; Y198-E214 WeakPolarHBondContact O-CA 3.48Å; Y198-W215 AromaticContact CD2-CE3 3.5Å; Y198-W215 HydrophobicContact CD2-CE3 3.5Å; Y198-W215 AromaticContact CD2-CZ3 3.61Å; Y198-W215 HydrophobicContact CD2-CZ3 3.61Å; Y198-W215 HydrophobicContact CE2-CE3 4.18Å; Y198-W215 AromaticContact CE2-CZ3 3.8Å; Y198-W215 HydrophobicContact CE2-CZ3 3.8Å; Y198-W215 HydrophobicContact CG-CE3 4.14Å; Y198-W215 PolarHBondContact N-O 3.12Å; Y198-W215 PolarHBondContact O-N 3.18Å
199	I	97.3	Very high	93.2	Very high	34 Å²	34	59.7 Å²	59.7	17%	0.174	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.1	-179.6	-50.4	-176.9	0	0	0	108.9	W158 F159 V197 T212 V213 E214	W158-I199 CarbonylContact C-O 3.55Å; W158-I199 WeakPolarHBondContact CA-O 3.4Å; W158-I199 VanDerWaalsContact CE3-O 3.32Å; F159-I199 HydrophobicContact CB-CB 4.22Å; F159-I199 PolarHBondContact N-O 2.75Å; F159-I199 PolarHBondContact O-N 2.87Å; V197-I199 HydrophobicContact CG1-CG1 4.21Å; I199-T212 HydrophobicContact CG2-CG2 4.07Å; I199-V213 WeakPolarHBondContact CA-O 3.06Å; I199-E214 HydrophobicContact CD1-CG 4.34Å; I199-E214 HydrophobicContact CG1-CG 4.15Å
200	C	97.9	Very high	93.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.5	164.8	-179	0	0	0	0	108.7	V128 C144 V156 W158 T212 V213	V128-C200 HydrophobicContact CG2-CB 3.6Å; C144-C200 HydrophobicContact CB-CB 3.66Å; C144-C200 WeakPolarHBondContact CB-SG 3.36Å; C144-C200 WeakPolarHBondContact SG-CB 3.04Å; C144-C200 CovalentContact SG-SG 2.03Å; C144-C200 PolarHBondContact SG-SG 2.9Å; V156-C200 VanDerWaalsContact CG1-SG 3.57Å; W158-C200 HydrophobicContact CE3-CB 4.21Å; W158-C200 HydrophobicContact CH2-CB 3.94Å; W158-C200 HydrophobicContact CZ2-CB 4.35Å; W158-C200 HydrophobicContact CZ3-CB 3.86Å; C200-T212 WeakPolarHBondContact O-CA 3.45Å; C200-V213 PolarHBondContact N-O 3.43Å; C200-V213 PolarHBondContact O-N 2.8Å
201	Q	98.3	Very high	93.9	Very high	32 Å²	32	58.2 Å²	58.2	15%	0.15	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.3	174.9	-172.1	-176.2	40	0	0	109.8	V156 R157 F159 P210 V211 T212	V156-Q201 CarbonylContact C-O 3.59Å; V156-Q201 WeakPolarHBondContact CA-O 3.23Å; R157-Q201 PolarHBondContact N-O 3.02Å; R157-Q201 PolarHBondContact O-N 2.67Å; F159-Q201 HydrophobicContact CD2-CB 4.21Å; F159-Q201 HydrophobicContact CE2-CB 3.82Å; Q201-P210 HydrophobicContact CG-CB 3.76Å; Q201-V211 CarbonylContact C-O 3.44Å; Q201-V211 WeakPolarHBondContact CA-O 3.39Å; Q201-T212 HydrophobicContact CB-CG2 4.17Å; Q201-T212 HydrophobicContact CG-CG2 3.9Å
202	V	98.5	Very high	94.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.3	-179.5	-179.6	0	0	0	0	109.8	P124 V126 V146 I154 V156 P210 V211	P124-V202 HydrophobicContact CG-CG1 4.02Å; V126-V202 HydrophobicContact CB-CG2 4.47Å; V126-V202 HydrophobicContact CG1-CG2 3.92Å; V126-V202 HydrophobicContact CG2-CB 4.04Å; V126-V202 HydrophobicContact CG2-CG1 4.41Å; V126-V202 HydrophobicContact CG2-CG2 3.64Å; V146-V202 HydrophobicContact CG1-CG1 4.16Å; V146-V202 HydrophobicContact CG2-CG2 3.82Å; I154-V202 HydrophobicContact CD1-CG1 3.75Å; I154-V202 HydrophobicContact CG1-CG1 4.02Å; V156-V202 HydrophobicContact CG1-CG2 4.25Å; V156-V202 HydrophobicContact CG2-CG1 4.45Å; V156-V202 HydrophobicContact CG2-CG2 4.22Å; V202-P210 WeakPolarHBondContact O-CA 3.16Å; V202-V211 PolarHBondContact N-O 2.49Å; V202-V211 PolarHBondContact O-N 2.84Å
203	E	98.4	Very high	95	Very high	63 Å²	63	56 Å²	56	29%	0.294	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.3	172.1	-64.5	-173.3	-173.9	0	0	109.8	I154 Q155 R157 P210	I154-E203 WeakPolarHBondContact CG1-O 3.33Å; Q155-E203 HydrophobicContact CB-CB 4.26Å; Q155-E203 PolarHBondContact N-O 3.23Å; Q155-E203 PolarHBondContact O-N 2.78Å; R157-E203 IonicContact CZ-OE1 3.54Å; R157-E203 IonicContact NH2-OE1 2.95Å; R157-E203 PolarHBondContact NH2-OE1 2.85Å; E203-P210 HydrophobicContact CG-CB 3.91Å; E203-P210 HydrophobicContact CG-CG 3.93Å
204	H	98.3	Very high	95.6	Very high	13 Å²	13	54.7 Å²	54.7	6%	0.06	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	143.4	-178.8	-178.7	-105.6	0	0	0	109.4	V122 P124 F149 Y150 P151 S153 I154 S206 L207	V122-H204 PolarHBondContact O-CE1 2.8Å; P124-H204 HydrophobicContact CG-CB 4.25Å; F149-H204 AromaticContact CD2-NE2 3.91Å; Y150-H204 VanDerWaalsContact C-CE1 3.48Å; Y150-H204 PolarHBondContact O-CE1 3.25Å; P151-H204 PolarHBondContact O-NE2 3.13Å; S153-H204 PolarHBondContact O-CD2 2.87Å; I154-H204 HydrophobicContact CD1-CB 4.42Å; I154-H204 HydrophobicContact CG1-CB 4.22Å; H204-S206 PolarHBondContact CE1-OG 2.88Å; H204-S206 VanDerWaalsContact ND1-CB 3.29Å; H204-S206 WeakPolarHBondContact ND1-CB 3.34Å; H204-S206 PolarHBondContact ND1-N 3.03Å; H204-S206 PolarHBondContact ND1-OG 3.35Å; H204-S206 PolarHBondContact O-N 3.23Å; H204-L207 HydrophobicContact CB-CD1 4.1Å; H204-L207 HydrophobicContact CB-CG 4.42Å; H204-L207 WeakPolarHBondContact O-CB 3.25Å; H204-L207 PolarHBondContact O-N 2.84Å
205	T	96.7	Very high	96	Very high	83 Å²	83	48.9 Å²	48.9	51%	0.509	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.2	-175	-172.3	0	0	0	0	114.8	P151 L207	P151-T205 HydrophobicContact CG-CG2 3.68Å; T205-L207 VanDerWaalsContact C-N 3.33Å
206	S	96.7	Very high	96.2	Very high	12 Å²	12	51.9 Å²	51.9	8%	0.084	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.2	174.5	76.1	0	0	0	0	114.3	V122 Q123 H204	V122-S206 PolarHBondContact O-OG 2.97Å; Q123-S206 VanDerWaalsContact CA-OG 3.27Å; Q123-S206 WeakPolarHBondContact CA-OG 3.34Å; Q123-S206 WeakPolarHBondContact CG-O 3.32Å; Q123-S206 WeakPolarHBondContact CG-OG 3.12Å; Q123-S206 PolarHBondContact NE2-O 2.91Å; H204-S206 PolarHBondContact CE1-OG 2.88Å; H204-S206 VanDerWaalsContact ND1-CB 3.29Å; H204-S206 WeakPolarHBondContact ND1-CB 3.34Å; H204-S206 PolarHBondContact ND1-N 3.03Å; H204-S206 PolarHBondContact ND1-OG 3.35Å; H204-S206 PolarHBondContact O-N 3.23Å
207	L	97.2	Very high	95.8	Very high	29 Å²	29	51.7 Å²	51.7	15%	0.152	28%	0.282	C	S	.	.			trans	-109.5	134	-176.3	-62.2	170.2	0	0	0	108.8	Q123 P124 H204 T205 S209 V211	Q123-L207 HydrophobicContact CB-CD2 4.15Å; Q123-L207 HydrophobicContact CG-CD2 3.85Å; P124-L207 HydrophobicContact CG-CD1 3.82Å; P124-L207 HydrophobicContact CG-CG 4.42Å; H204-L207 HydrophobicContact CB-CD1 4.1Å; H204-L207 HydrophobicContact CB-CG 4.42Å; H204-L207 WeakPolarHBondContact O-CB 3.25Å; H204-L207 PolarHBondContact O-N 2.84Å; T205-L207 VanDerWaalsContact C-N 3.33Å; L207-S209 VanDerWaalsContact C-N 3.29Å; L207-S209 WeakPolarHBondContact CB-O 3.41Å; L207-V211 HydrophobicContact CD1-CB 4.28Å; L207-V211 HydrophobicContact CD1-CG2 3.7Å; L207-V211 HydrophobicContact CD2-CG2 3.91Å; L207-V211 HydrophobicContact CG-CG2 4.42Å
208	D	96.4	Very high	94.7	Very high	173 Å²	173	58.3 Å²	58.3	93%	0.925	31%	0.311	S	S	*	.	S	Bend	trans	-73.2	-26.2	175.3	-58.1	-51.5	0	0	0	112
209	S	96.8	Very high	92.7	Very high	81 Å²	81	60.6 Å²	60.6	57%	0.566	33%	0.328	S	S	*	.	S	Bend	trans	-143.1	155.3	176.7	57.4	0	0	0	0	110.9	L207 V211	L207-S209 VanDerWaalsContact C-N 3.29Å; L207-S209 WeakPolarHBondContact CB-O 3.41Å; S209-V211 PolarHBondContact O-N 3Å
210	P	97.1	Very high	90.7	Very high	54 Å²	54	65.7 Å²	65.7	35%	0.351	36%	0.355	S	S	.	.			trans	-60.9	137.1	-179.5	-20.8	31.9	0	0	0	111.9	Q201 V202 E203	Q201-P210 HydrophobicContact CG-CB 3.76Å; V202-P210 WeakPolarHBondContact O-CA 3.16Å; E203-P210 HydrophobicContact CG-CB 3.91Å; E203-P210 HydrophobicContact CG-CG 3.93Å
211	V	97.6	Very high	88.3	Confident	49 Å²	49	68 Å²	68	30%	0.297	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.4	173.3	168.8	0	0	0	0	108.9	V126 Q201 V202 L207 S209 V213	V126-V211 HydrophobicContact CB-CG1 4.31Å; V126-V211 HydrophobicContact CG2-CB 4.49Å; V126-V211 HydrophobicContact CG2-CG1 3.87Å; Q201-V211 CarbonylContact C-O 3.44Å; Q201-V211 WeakPolarHBondContact CA-O 3.39Å; V202-V211 PolarHBondContact N-O 2.49Å; V202-V211 PolarHBondContact O-N 2.84Å; L207-V211 HydrophobicContact CD1-CB 4.28Å; L207-V211 HydrophobicContact CD1-CG2 3.7Å; L207-V211 HydrophobicContact CD2-CG2 3.91Å; L207-V211 HydrophobicContact CG-CG2 4.42Å; S209-V211 PolarHBondContact O-N 3Å; V211-V213 HydrophobicContact CG1-CG2 4.35Å
212	T	97.1	Very high	85.8	Confident	82 Å²	82	69.3 Å²	69.3	50%	0.503	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.1	176.4	53.2	0	0	0	0	110.7	I199 C200 Q201	I199-T212 HydrophobicContact CG2-CG2 4.07Å; C200-T212 WeakPolarHBondContact O-CA 3.45Å; Q201-T212 HydrophobicContact CB-CG2 4.17Å; Q201-T212 HydrophobicContact CG-CG2 3.9Å
213	V	97.3	Very high	83.5	Confident	39 Å²	39	79.1 Å²	79.1	24%	0.236	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.7	173.3	179.5	0	0	0	0	109	V126 V128 I199 C200 V211	V126-V213 HydrophobicContact CB-CG2 3.74Å; V126-V213 HydrophobicContact CG1-CB 4.15Å; V126-V213 HydrophobicContact CG1-CG2 3.57Å; V128-V213 HydrophobicContact CB-CG1 3.99Å; V128-V213 HydrophobicContact CG2-CB 3.89Å; V128-V213 HydrophobicContact CG2-CG1 3.69Å; I199-V213 WeakPolarHBondContact CA-O 3.06Å; C200-V213 PolarHBondContact N-O 3.43Å; C200-V213 PolarHBondContact O-N 2.8Å; V211-V213 HydrophobicContact CG1-CG2 4.35Å
214	E	95.8	Very high	81.3	Confident	112 Å²	112	79.6 Å²	79.6	52%	0.523	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	141.6	178.7	-57.5	-171.2	175.8	0	0	111.8	V197 Y198 I199 K216	V197-E214 HydrophobicContact CG1-CB 4.49Å; Y198-E214 CarbonylContact O-C 3.57Å; Y198-E214 WeakPolarHBondContact O-CA 3.48Å; I199-E214 HydrophobicContact CD1-CG 4.34Å; I199-E214 HydrophobicContact CG1-CG 4.15Å; E214-K216 WeakPolarHBondContact OE2-CE 3.35Å; E214-K216 IonicContact OE2-NZ 3.88Å
215	W	93.6	Very high	79.1	Confident	54 Å²	54	85.9 Å²	85.9	21%	0.205	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.2	167	-178	89.8	0	0	0	109.3	V128 L142 M190 Y198 A217	V128-W215 HydrophobicContact CB-CB 4.43Å; V128-W215 HydrophobicContact CG1-CB 3.59Å; V128-W215 HydrophobicContact CG1-CG 4.07Å; L142-W215 HydrophobicContact CD1-CB 4.44Å; L142-W215 HydrophobicContact CD1-CD2 3.58Å; L142-W215 HydrophobicContact CD1-CE3 3.92Å; L142-W215 HydrophobicContact CD1-CG 3.81Å; L142-W215 HydrophobicContact CD1-CZ2 4.38Å; L142-W215 HydrophobicContact CD1-CZ3 4.44Å; L142-W215 HydrophobicContact CD2-CB 4.17Å; L142-W215 HydrophobicContact CD2-CD2 4.07Å; L142-W215 HydrophobicContact CD2-CE3 3.77Å; L142-W215 HydrophobicContact CD2-CG 4.24Å; M190-W215 HydrophobicContact CE-CH2 3.76Å; M190-W215 HydrophobicContact CE-CZ2 4.32Å; M190-W215 HydrophobicContact CE-CZ3 4.12Å; M190-W215 HydrophobicContact SD-CE3 4.48Å; M190-W215 HydrophobicContact SD-CH2 3.98Å; M190-W215 HydrophobicContact SD-CZ3 3.72Å; Y198-W215 AromaticContact CD2-CE3 3.5Å; Y198-W215 HydrophobicContact CD2-CE3 3.5Å; Y198-W215 AromaticContact CD2-CZ3 3.61Å; Y198-W215 HydrophobicContact CD2-CZ3 3.61Å; Y198-W215 HydrophobicContact CE2-CE3 4.18Å; Y198-W215 AromaticContact CE2-CZ3 3.8Å; Y198-W215 HydrophobicContact CE2-CZ3 3.8Å; Y198-W215 HydrophobicContact CG-CE3 4.14Å; Y198-W215 PolarHBondContact N-O 3.12Å; Y198-W215 PolarHBondContact O-N 3.18Å; W215-A217 HydrophobicContact CH2-CB 4.28Å; W215-A217 HydrophobicContact CZ3-CB 4.14Å
216	K	90.1	Very high	77.1	Confident	118 Å²	118	86.5 Å²	86.5	51%	0.513	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.6	-179	-60.9	-171.4	179.3	178.4	0	110	V197 E214 Q218	V197-K216 HydrophobicContact CG1-CG 4.27Å; V197-K216 HydrophobicContact CG2-CD 4.25Å; V197-K216 HydrophobicContact CG2-CG 4.12Å; E214-K216 WeakPolarHBondContact OE2-CE 3.35Å; E214-K216 IonicContact OE2-NZ 3.88Å; K216-Q218 PolarHBondContact O-N 3.4Å
217	A	82.7	Confident	75.1	Confident	19 Å²	19	92.7 Å²	92.7	16%	0.157	50%	0.497	C	S	.	.			trans	-64.9	101.4	172.6	0	0	0	0	0	109.9	P192 Q193 D196 W215	P192-A217 HydrophobicContact CB-CB 3.77Å; Q193-A217 WeakPolarHBondContact O-CB 3.28Å; D196-A217 HydrophobicContact CB-CB 4.48Å; D196-A217 PolarHBondContact O-N 2.77Å; W215-A217 HydrophobicContact CH2-CB 4.28Å; W215-A217 HydrophobicContact CZ3-CB 4.14Å
218	Q	70.1	Confident	73.3	Confident	171 Å²	171	96.1 Å²	96.1	80%	0.799	52%	0.519	S	S	*	.			trans	-85.2	137.7	174.7	-73.5	-176.9	-18	0	0	110.3	K216	K216-Q218 PolarHBondContact O-N 3.4Å
219	S	53.8	Low	71.6	Confident	55 Å²	55	90.1 Å²	90.1	39%	0.385	50%	0.498	S	S	.	.			trans	-71.5	129.6	168.8	178.7	0	0	0	0	110	S221 A222	S219-S221 PolarHBondContact O-N 2.86Å; S219-S221 WeakPolarHBondContact OG-CB 3.34Å; S219-S221 PolarHBondContact OG-N 2.84Å; S219-A222 WeakPolarHBondContact O-CB 3.34Å; S219-A222 PolarHBondContact O-N 2.87Å
220	D	53.9	Low	70.1	Confident	141 Å²	141	89 Å²	89	75%	0.754	49%	0.494	S	S	*	.	H	α-helix	trans	-51.8	-24.5	169.6	-79	-36.7	0	0	0	112.7	A222 R223 S224	D220-A222 VanDerWaalsContact C-N 3.28Å; D220-A222 PolarHBondContact O-N 2.89Å; D220-R223 PolarHBondContact O-N 2.88Å; D220-S224 PolarHBondContact O-N 2.83Å; D220-S224 VanDerWaalsContact O-N 3.17Å
221	S	48.6	Very low	68.8	Low	49 Å²	49	88.2 Å²	88.2	34%	0.343	50%	0.496	S	S	.	.	H	α-helix	trans	-59.5	-35.4	173.9	-167.3	0	0	0	0	112.9	S219 K225	S219-S221 PolarHBondContact O-N 2.86Å; S219-S221 WeakPolarHBondContact OG-CB 3.34Å; S219-S221 PolarHBondContact OG-N 2.84Å; S221-K225 WeakPolarHBondContact O-CB 3.47Å; S221-K225 WeakPolarHBondContact O-CD 3.39Å; S221-K225 WeakPolarHBondContact O-CG 3.42Å; S221-K225 PolarHBondContact O-N 3.16Å; S221-K225 VanDerWaalsContact OG-CE 3.24Å; S221-K225 WeakPolarHBondContact OG-CE 3.48Å; S221-K225 PolarHBondContact OG-NZ 3.27Å
222	A	45.8	Very low	67.7	Low	59 Å²	59	88.2 Å²	88.2	49%	0.488	51%	0.506	S	S	.	.	H	α-helix	trans	-71.4	-32.4	-178.1	0	0	0	0	0	112.5	S219 D220 T226	S219-A222 WeakPolarHBondContact O-CB 3.34Å; S219-A222 PolarHBondContact O-N 2.87Å; D220-A222 VanDerWaalsContact C-N 3.28Å; D220-A222 PolarHBondContact O-N 2.89Å; A222-T226 PolarHBondContact O-OG1 2.04Å
223	R	49.9	Very low	66.9	Low	206 Å²	206	91.3 Å²	91.3	78%	0.777	51%	0.513	S	S	*	.	H	α-helix	trans	-80	-31.2	177.5	-163	175.1	-168.9	163.9	4	112.6	D220 T226	D220-R223 PolarHBondContact O-N 2.88Å; R223-T226 PolarHBondContact O-OG1 3.05Å; R223-T226 VanDerWaalsContact O-OG1 3.13Å
224	S	51.8	Low	66.2	Low	73 Å²	73	93.4 Å²	93.4	51%	0.51	53%	0.525	S	S	.	.	H	α-helix	trans	-72.6	-41.9	174.1	174.4	0	0	0	0	112.2	D220 T226 L227 T228	D220-S224 PolarHBondContact O-N 2.83Å; D220-S224 VanDerWaalsContact O-N 3.17Å; S224-T226 VanDerWaalsContact C-N 3.34Å; S224-T226 PolarHBondContact O-N 3.49Å; S224-L227 PolarHBondContact O-N 2.97Å; S224-L227 VanDerWaalsContact O-N 3.15Å; S224-T228 PolarHBondContact O-N 3.5Å; S224-T228 PolarHBondContact O-OG1 3.39Å
225	K	51.7	Low	65.7	Low	145 Å²	145	93.6 Å²	93.6	63%	0.63	53%	0.529	S	S	*	.	H	α-helix	trans	-63.2	-33.5	-177.7	-79.3	170.5	177.3	166.6	0	114	S221 G229	S221-K225 WeakPolarHBondContact O-CB 3.47Å; S221-K225 WeakPolarHBondContact O-CD 3.39Å; S221-K225 WeakPolarHBondContact O-CG 3.42Å; S221-K225 PolarHBondContact O-N 3.16Å; S221-K225 VanDerWaalsContact OG-CE 3.24Å; S221-K225 WeakPolarHBondContact OG-CE 3.48Å; S221-K225 PolarHBondContact OG-NZ 3.27Å; K225-G229 PolarHBondContact O-N 3.39Å; K225-G229 VanDerWaalsContact O-N 3.11Å
226	T	55.3	Low	65.3	Low	96 Å²	96	92.5 Å²	92.5	59%	0.589	54%	0.535	S	S	*	.	H	α-helix	trans	-71.1	-32.7	176	45.3	0	0	0	0	112.6	A222 R223 S224 A230	A222-T226 PolarHBondContact O-OG1 2.04Å; R223-T226 PolarHBondContact O-OG1 3.05Å; R223-T226 VanDerWaalsContact O-OG1 3.13Å; S224-T226 VanDerWaalsContact C-N 3.34Å; S224-T226 PolarHBondContact O-N 3.49Å; T226-A230 WeakPolarHBondContact O-CB 3.34Å; T226-A230 PolarHBondContact O-N 3.19Å; T226-A230 VanDerWaalsContact O-N 3.14Å
227	L	54.5	Low	65.2	Low	142 Å²	142	91.9 Å²	91.9	74%	0.743	54%	0.537	S	S	*	.	H	α-helix	trans	-72.8	-40.8	178.3	-136.2	83.4	0	0	0	112.1	S224 G231	S224-L227 PolarHBondContact O-N 2.97Å; S224-L227 VanDerWaalsContact O-N 3.15Å; L227-G231 PolarHBondContact O-N 2.97Å; L227-G231 VanDerWaalsContact O-N 3.14Å
228	T	60.3	Low	65.5	Low	100 Å²	100	95.9 Å²	95.9	61%	0.613	56%	0.555	S	S	*	*	H	α-helix	trans	-71.4	-37.6	177.5	-40.7	0	0	0	0	111.9	S224 G231 G232	S224-T228 PolarHBondContact O-N 3.5Å; S224-T228 PolarHBondContact O-OG1 3.39Å; T228-G231 PolarHBondContact O-N 3.29Å; T228-G232 PolarHBondContact O-N 3.5Å
229	G	60.4	Low	66.4	Low	47 Å²	47	93.3 Å²	93.3	49%	0.485	55%	0.545	S	S	.	.	H	α-helix	trans	-65	-42.7	176.5	0	0	0	0	0	113.2	K225 G232 F233	K225-G229 PolarHBondContact O-N 3.39Å; K225-G229 VanDerWaalsContact O-N 3.11Å; G229-G232 PolarHBondContact O-N 3.08Å; G229-F233 PolarHBondContact O-N 2.94Å; G229-F233 VanDerWaalsContact O-N 3.13Å
230	A	65.4	Low	68	Low	58 Å²	58	94.4 Å²	94.4	48%	0.479	55%	0.552	S	S	.	*	H	α-helix	trans	-66.5	-40.7	175.8	0	0	0	0	0	112.1	T226 F233 V234	T226-A230 WeakPolarHBondContact O-CB 3.34Å; T226-A230 PolarHBondContact O-N 3.19Å; T226-A230 VanDerWaalsContact O-N 3.14Å; A230-F233 PolarHBondContact O-N 2.69Å; A230-V234 WeakPolarHBondContact O-CG2 3.21Å; A230-V234 PolarHBondContact O-N 2.84Å; A230-V234 VanDerWaalsContact O-N 3.16Å
231	G	68.2	Low	69.6	Low	38 Å²	38	89.6 Å²	89.6	39%	0.392	54%	0.536	S	S	.	.	H	α-helix	trans	-62	-43	175.7	0	0	0	0	0	113.2	L227 T228 L235	L227-G231 PolarHBondContact O-N 2.97Å; L227-G231 VanDerWaalsContact O-N 3.14Å; T228-G231 PolarHBondContact O-N 3.29Å; G231-L235 PolarHBondContact O-N 3.44Å; G231-L235 VanDerWaalsContact O-N 3.13Å
232	G	75.6	Confident	71.6	Confident	48 Å²	48	91.3 Å²	91.3	50%	0.495	54%	0.544	S	S	.	.	H	α-helix	trans	-65.7	-38.6	177.2	0	0	0	0	0	113.4	T228 G229 L235 G236	T228-G232 PolarHBondContact O-N 3.5Å; G229-G232 PolarHBondContact O-N 3.08Å; G232-L235 PolarHBondContact O-N 3.15Å; G232-G236 PolarHBondContact O-N 2.68Å
233	F	80.4	Confident	73.5	Confident	148 Å²	148	90.4 Å²	90.4	65%	0.649	54%	0.54	S	S	*	.	H	α-helix	trans	-67.2	-41.2	178.9	-164.6	-100.6	0	0	0	112.3	G229 A230 G236 L237	G229-F233 PolarHBondContact O-N 2.94Å; G229-F233 VanDerWaalsContact O-N 3.13Å; A230-F233 PolarHBondContact O-N 2.69Å; F233-G236 PolarHBondContact O-N 2.85Å; F233-L237 HydrophobicContact CD1-CD1 3.93Å; F233-L237 HydrophobicContact CD1-CG 4.38Å; F233-L237 HydrophobicContact CE1-CD1 3.69Å; F233-L237 HydrophobicContact CE1-CG 4.19Å; F233-L237 WeakPolarHBondContact O-CG 3.32Å; F233-L237 PolarHBondContact O-N 3.11Å
234	V	82.9	Confident	75.3	Confident	83 Å²	83	85.4 Å²	85.4	50%	0.503	53%	0.528	S	S	.	.	H	α-helix	trans	-64.7	-43.5	175.9	174.6	0	0	0	0	111.1	A230 G236 L237 I238	A230-V234 WeakPolarHBondContact O-CG2 3.21Å; A230-V234 PolarHBondContact O-N 2.84Å; A230-V234 VanDerWaalsContact O-N 3.16Å; V234-G236 VanDerWaalsContact C-N 3.32Å; V234-G236 PolarHBondContact O-N 3.1Å; V234-L237 PolarHBondContact O-N 3.33Å; V234-I238 HydrophobicContact CG1-CD1 4.1Å; V234-I238 WeakPolarHBondContact O-CG1 3.47Å; V234-I238 PolarHBondContact O-N 3.38Å; V234-I238 VanDerWaalsContact O-N 3.15Å
235	L	84.1	Confident	76.8	Confident	115 Å²	115	87.5 Å²	87.5	60%	0.602	53%	0.528	S	S	*	.	H	α-helix	trans	-60.8	-42.7	175.7	-121.8	89.7	0	0	0	111.7	G231 G232 L237 I238 I239	G231-L235 PolarHBondContact O-N 3.44Å; G231-L235 VanDerWaalsContact O-N 3.13Å; G232-L235 PolarHBondContact O-N 3.15Å; L235-L237 PolarHBondContact O-N 3.33Å; L235-I238 PolarHBondContact O-N 2.96Å; L235-I239 WeakPolarHBondContact O-CG1 3.4Å; L235-I239 PolarHBondContact O-N 2.75Å; L235-I239 VanDerWaalsContact O-N 3.1Å
236	G	85.3	Confident	78.3	Confident	32 Å²	32	86.8 Å²	86.8	33%	0.33	53%	0.528	S	S	.	.	H	α-helix	trans	-60	-44.6	177.3	0	0	0	0	0	112.9	G232 F233 V234 I238 I239 C240	G232-G236 PolarHBondContact O-N 2.68Å; F233-G236 PolarHBondContact O-N 2.85Å; V234-G236 VanDerWaalsContact C-N 3.32Å; V234-G236 PolarHBondContact O-N 3.1Å; G236-I238 PolarHBondContact O-N 2.99Å; G236-I239 PolarHBondContact O-N 3.35Å; G236-C240 PolarHBondContact O-N 2.93Å; G236-C240 PolarHBondContact O-SG 3.38Å
237	L	88.7	Confident	79.4	Confident	105 Å²	105	87 Å²	87	55%	0.55	52%	0.523	S	S	.	.	H	α-helix	trans	-63.7	-38.2	177.5	-72.4	177.2	0	0	0	112.8	F233 V234 L235 G241	F233-L237 HydrophobicContact CD1-CD1 3.93Å; F233-L237 HydrophobicContact CD1-CG 4.38Å; F233-L237 HydrophobicContact CE1-CD1 3.69Å; F233-L237 HydrophobicContact CE1-CG 4.19Å; F233-L237 WeakPolarHBondContact O-CG 3.32Å; F233-L237 PolarHBondContact O-N 3.11Å; V234-L237 PolarHBondContact O-N 3.33Å; L235-L237 PolarHBondContact O-N 3.33Å; L237-G241 PolarHBondContact O-N 3.28Å
238	I	88.6	Confident	80.5	Confident	103 Å²	103	89 Å²	89	53%	0.528	52%	0.52	S	S	.	.	H	α-helix	trans	-63.8	-47.1	176.6	-66.4	167.2	0	0	0	110.3	V234 L235 G236 C240 G241 V242	V234-I238 HydrophobicContact CG1-CD1 4.1Å; V234-I238 WeakPolarHBondContact O-CG1 3.47Å; V234-I238 PolarHBondContact O-N 3.38Å; V234-I238 VanDerWaalsContact O-N 3.15Å; L235-I238 PolarHBondContact O-N 2.96Å; G236-I238 PolarHBondContact O-N 2.99Å; I238-C240 PolarHBondContact O-N 3.39Å; I238-G241 PolarHBondContact O-N 2.92Å; I238-V242 WeakPolarHBondContact O-CG2 3.28Å; I238-V242 PolarHBondContact O-N 3.47Å
239	I	88.5	Confident	81.2	Confident	116 Å²	116	92 Å²	92	60%	0.595	52%	0.52	S	S	*	.	H	α-helix	trans	-62.3	-45.6	179.6	-65.8	167.3	0	0	0	110.8	L235 G236 G241 V242 G243	L235-I239 WeakPolarHBondContact O-CG1 3.4Å; L235-I239 PolarHBondContact O-N 2.75Å; L235-I239 VanDerWaalsContact O-N 3.1Å; G236-I239 PolarHBondContact O-N 3.35Å; I239-G241 PolarHBondContact O-N 3.4Å; I239-V242 PolarHBondContact O-N 2.9Å; I239-G243 PolarHBondContact O-N 3.41Å
240	C	87.5	Confident	81.6	Confident	79 Å²	79	92.8 Å²	92.8	53%	0.534	52%	0.518	S	S	.	.	H	α-helix	trans	-61.5	-42.8	176	-73.6	0	0	0	0	112.2	G236 I238 G243 I244	G236-C240 PolarHBondContact O-N 2.93Å; G236-C240 PolarHBondContact O-SG 3.38Å; I238-C240 PolarHBondContact O-N 3.39Å; C240-G243 PolarHBondContact O-N 3.22Å; C240-I244 VanDerWaalsContact O-CG1 3.28Å; C240-I244 WeakPolarHBondContact O-CG1 3.02Å; C240-I244 PolarHBondContact O-N 3.21Å
241	G	88.8	Confident	81.6	Confident	40 Å²	40	95.8 Å²	95.8	41%	0.412	52%	0.521	S	S	.	.	H	α-helix	trans	-60.2	-46.6	176.9	0	0	0	0	0	112.8	L237 I238 I239 I244 F245	L237-G241 PolarHBondContact O-N 3.28Å; I238-G241 PolarHBondContact O-N 2.92Å; I239-G241 PolarHBondContact O-N 3.4Å; G241-I244 PolarHBondContact O-N 3.08Å; G241-F245 WeakPolarHBondContact O-CB 3.23Å; G241-F245 PolarHBondContact O-N 3.33Å
242	V	88.9	Confident	81.1	Confident	84 Å²	84	102 Å²	102	51%	0.509	54%	0.536	S	S	.	.	H	α-helix	trans	-63.7	-42.6	176.6	174.9	0	0	0	0	111.1	I238 I239 I244 F245 M246	I238-V242 WeakPolarHBondContact O-CG2 3.28Å; I238-V242 PolarHBondContact O-N 3.47Å; I239-V242 PolarHBondContact O-N 2.9Å; V242-I244 PolarHBondContact O-N 3.02Å; V242-F245 PolarHBondContact O-N 3.18Å; V242-M246 HydrophobicContact CG1-CG 4.26Å; V242-M246 WeakPolarHBondContact O-CB 3.46Å; V242-M246 VanDerWaalsContact O-CG 3.29Å; V242-M246 WeakPolarHBondContact O-CG 3.45Å; V242-M246 PolarHBondContact O-N 3.38Å
243	G	87	Confident	80.2	Confident	40 Å²	40	105 Å²	105	41%	0.412	55%	0.545	S	S	.	.	H	α-helix	trans	-59.4	-45.4	176.1	0	0	0	0	0	112.8	I239 C240 M246 H247	I239-G243 PolarHBondContact O-N 3.41Å; C240-G243 PolarHBondContact O-N 3.22Å; G243-M246 PolarHBondContact O-N 2.95Å; G243-H247 WeakPolarHBondContact O-CB 2.98Å; G243-H247 PolarHBondContact O-N 2.97Å
244	I	86.9	Confident	78.9	Confident	101 Å²	101	105.4 Å²	105.4	52%	0.518	55%	0.549	S	S	.	.	H	α-helix	trans	-65	-40.7	176.8	-67.5	166	0	0	0	111	C240 G241 V242 H247 R248	C240-I244 VanDerWaalsContact O-CG1 3.28Å; C240-I244 WeakPolarHBondContact O-CG1 3.02Å; C240-I244 PolarHBondContact O-N 3.21Å; G241-I244 PolarHBondContact O-N 3.08Å; V242-I244 PolarHBondContact O-N 3.02Å; I244-H247 PolarHBondContact O-N 2.95Å; I244-R248 WeakPolarHBondContact O-CB 3.48Å; I244-R248 WeakPolarHBondContact O-CG 3.18Å; I244-R248 PolarHBondContact O-N 3.17Å
245	F	84.2	Confident	77.4	Confident	118 Å²	118	112.3 Å²	112.3	52%	0.518	57%	0.566	S	S	.	*	H	α-helix	trans	-64.1	-46.8	177.8	-179.2	-98.7	0	0	0	112.2	G241 V242 R248 R249	G241-F245 WeakPolarHBondContact O-CB 3.23Å; G241-F245 PolarHBondContact O-N 3.33Å; V242-F245 PolarHBondContact O-N 3.18Å; F245-R248 PolarHBondContact O-N 2.65Å; F245-R249 HydrophobicContact CE1-CG 4.25Å; F245-R249 HydrophobicContact CZ-CG 4.36Å; F245-R249 PolarHBondContact O-N 3.48Å
246	M	82.4	Confident	75.8	Confident	129 Å²	129	110.1 Å²	110.1	64%	0.635	57%	0.571	S	S	*	*	H	α-helix	trans	-59.7	-45.3	174.6	-75.3	-93.8	-66.6	0	0	111.6	V242 G243 R248 R249 S250	V242-M246 HydrophobicContact CG1-CG 4.26Å; V242-M246 WeakPolarHBondContact O-CB 3.46Å; V242-M246 VanDerWaalsContact O-CG 3.29Å; V242-M246 WeakPolarHBondContact O-CG 3.45Å; V242-M246 PolarHBondContact O-N 3.38Å; G243-M246 PolarHBondContact O-N 2.95Å; M246-R248 PolarHBondContact O-N 2.66Å; M246-R249 PolarHBondContact O-N 3.12Å; M246-S250 PolarHBondContact O-N 3.3Å
247	H	78.8	Confident	74.1	Confident	102 Å²	102	113.9 Å²	113.9	47%	0.472	59%	0.592	S	S	.	*	H	α-helix	trans	-63.7	-40.8	178	-172.5	68.7	0	0	0	112.3	G243 I244 S250 K251	G243-H247 WeakPolarHBondContact O-CB 2.98Å; G243-H247 PolarHBondContact O-N 2.97Å; I244-H247 PolarHBondContact O-N 2.95Å; H247-S250 PolarHBondContact O-N 2.91Å; H247-K251 WeakPolarHBondContact NE2-CE 3.46Å; H247-K251 PolarHBondContact NE2-NZ 3.45Å; H247-K251 VanDerWaalsContact NE2-NZ 3.14Å; H247-K251 PolarHBondContact O-N 3.08Å
248	R	77.8	Confident	72	Confident	183 Å²	183	116.7 Å²	116.7	69%	0.691	63%	0.631	S	S	*	*	H	α-helix	trans	-66	-35.1	173.9	-77.6	-176.1	167.8	-178.4	-2.2	112.6	I244 F245 M246 K252	I244-R248 WeakPolarHBondContact O-CB 3.48Å; I244-R248 WeakPolarHBondContact O-CG 3.18Å; I244-R248 PolarHBondContact O-N 3.17Å; F245-R248 PolarHBondContact O-N 2.65Å; M246-R248 PolarHBondContact O-N 2.66Å; R248-K252 PolarHBondContact O-N 3.48Å; R248-K252 VanDerWaalsContact O-N 3.13Å
249	R	75.1	Confident	71.2	Confident	163 Å²	163	117.4 Å²	117.4	62%	0.615	64%	0.636	S	S	*	*	H	α-helix	trans	-67.4	-44.8	172.7	-86.9	-164.6	166.5	-172.8	-2	112.2	F245 M246 K251 K252 V253	F245-R249 HydrophobicContact CE1-CG 4.25Å; F245-R249 HydrophobicContact CZ-CG 4.36Å; F245-R249 PolarHBondContact O-N 3.48Å; M246-R249 PolarHBondContact O-N 3.12Å; R249-K251 VanDerWaalsContact C-N 3.33Å; R249-K251 PolarHBondContact O-N 3.17Å; R249-K252 PolarHBondContact O-N 2.81Å; R249-K252 VanDerWaalsContact O-N 3.09Å; R249-V253 WeakPolarHBondContact O-CG2 3.42Å; R249-V253 PolarHBondContact O-N 2.92Å
250	S	68.3	Low	70.3	Confident	63 Å²	63	117.4 Å²	117.4	44%	0.441	64%	0.638	S	S	.	*	H	α-helix	trans	-56.6	-45.1	175	165.3	0	0	0	0	112.1	M246 H247 K252 V253 Q254	M246-S250 PolarHBondContact O-N 3.3Å; H247-S250 PolarHBondContact O-N 2.91Å; S250-K252 VanDerWaalsContact C-N 3.32Å; S250-K252 PolarHBondContact O-N 3.47Å; S250-V253 PolarHBondContact O-N 3.22Å; S250-Q254 PolarHBondContact O-N 3.39Å; S250-Q254 VanDerWaalsContact O-N 3.14Å
251	K	65.6	Low	69.3	Low	122 Å²	122	119.6 Å²	119.6	53%	0.53	64%	0.644	S	S	.	*	H	α-helix	trans	-67.3	-27.9	175.8	-75.6	-172.1	169.8	170.3	0	114.1	H247 R249 R255	H247-K251 WeakPolarHBondContact NE2-CE 3.46Å; H247-K251 PolarHBondContact NE2-NZ 3.45Å; H247-K251 VanDerWaalsContact NE2-NZ 3.14Å; H247-K251 PolarHBondContact O-N 3.08Å; R249-K251 VanDerWaalsContact C-N 3.33Å; R249-K251 PolarHBondContact O-N 3.17Å; K251-R255 PolarHBondContact O-N 3.36Å
252	K	58.9	Low	68.2	Low	167 Å²	167	124.2 Å²	124.2	73%	0.726	66%	0.657	S	S	*	*	H	α-helix	trans	-73.2	-36	172.3	-86.2	-172.5	174.4	-173.3	0	112.4	R248 R249 S250 R255 G256	R248-K252 PolarHBondContact O-N 3.48Å; R248-K252 VanDerWaalsContact O-N 3.13Å; R249-K252 PolarHBondContact O-N 2.81Å; R249-K252 VanDerWaalsContact O-N 3.09Å; S250-K252 VanDerWaalsContact C-N 3.32Å; S250-K252 PolarHBondContact O-N 3.47Å; K252-R255 PolarHBondContact O-N 2.94Å; K252-G256 PolarHBondContact O-N 3.47Å
253	V	56.4	Low	66.9	Low	113 Å²	113	126.8 Å²	126.8	69%	0.685	67%	0.667	S	S	*	*	H	α-helix	trans	-67.2	-37.3	176.4	174.8	0	0	0	0	111.3	R249 S250 R255 G256	R249-V253 WeakPolarHBondContact O-CG2 3.42Å; R249-V253 PolarHBondContact O-N 2.92Å; S250-V253 PolarHBondContact O-N 3.22Å; V253-R255 VanDerWaalsContact C-N 3.33Å; V253-R255 PolarHBondContact O-N 3.34Å; V253-G256 PolarHBondContact O-N 3.33Å
254	Q	52.9	Low	65.5	Low	155 Å²	155	132.5 Å²	132.5	72%	0.724	68%	0.684	S	S	*	*	H	α-helix	trans	-70.9	-22.7	174	-79.1	-172.5	-29.1	0	0	114.5	S250	S250-Q254 PolarHBondContact O-N 3.39Å; S250-Q254 VanDerWaalsContact O-N 3.14Å
255	R	51.8	Low	64	Low	229 Å²	229	134.8 Å²	134.8	86%	0.864	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-6.1	177.7	-94.9	-178.2	174.6	177	-2.1	114.6	K251 K252 V253	K251-R255 PolarHBondContact O-N 3.36Å; K252-R255 PolarHBondContact O-N 2.94Å; V253-R255 VanDerWaalsContact C-N 3.33Å; V253-R255 PolarHBondContact O-N 3.34Å
256	G	49.3	Very low	62.4	Low	69 Å²	69	136.1 Å²	136.1	71%	0.711	71%	0.709	S	S	*	*	S	Bend	trans	-103.5	10.9	177.6	0	0	0	0	0	114.6	K252 V253	K252-G256 PolarHBondContact O-N 3.47Å; V253-G256 PolarHBondContact O-N 3.33Å
257	S	50.7	Low	60.8	Low	110 Å²	110	136.7 Å²	136.7	77%	0.769	72%	0.715	S	S	*	*			trans	-126	28.5	-176.5	-161.2	0	0	0	0	113.1
258	A	43.7	Very low	59.1	Low	164 Å²	164	139.8 Å²	139.8	100%	1.355	74%	0.737	S	S	*	*			trans	-115	0	166.9	0	0	0	0	0	109

Retrieved 258 of 258 residues in 539.1 ms (Link to these results)

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