X5D7I1_HUMAN Loading...

MHC class II antigen

AlphaFold DB , UniProt , Accession X5D7I1, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB1, Length 266 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	39.2	Very low	43.2	Very low	247 Å²	247	127.5 Å²	127.5	100%	1.217	78%	0.777	S	S	*	*				0	120.1	0	-160.1	166	179.6	0	0	107.3
2	V	34.1	Very low	44.4	Very low	123 Å²	123	127.7 Å²	127.7	75%	0.745	77%	0.769	S	S	*	*			trans	-69.5	128.4	-171	173.2	0	0	0	0	109.9	L4	V2-L4 HydrophobicContact CG1-CB 4.39Å; V2-L4 HydrophobicContact CG1-CD1 3.86Å; V2-L4 HydrophobicContact CG1-CG 4.26Å
3	C	31.7	Very low	45.7	Very low	129 Å²	129	121.8 Å²	121.8	87%	0.872	74%	0.742	S	S	*	*			trans	-122.6	86.1	161.4	-115.6	0	0	0	0	107.8	K5	C3-K5 PolarHBondContact O-N 3.11Å; C3-K5 VanDerWaalsContact O-N 3.11Å
4	L	36.3	Very low	47	Very low	147 Å²	147	119.6 Å²	119.6	77%	0.77	73%	0.729	S	S	*	*			trans	-66.7	102.9	166.7	-103.5	142.2	0	0	0	107.6	V2 L6	V2-L4 HydrophobicContact CG1-CB 4.39Å; V2-L4 HydrophobicContact CG1-CD1 3.86Å; V2-L4 HydrophobicContact CG1-CG 4.26Å; L4-L6 PolarHBondContact O-N 3.31Å
5	K	40.9	Very low	48.4	Very low	197 Å²	197	118.3 Å²	118.3	86%	0.857	72%	0.715	S	S	*	*			trans	-75.8	106	164.3	-82.6	-159.2	172.2	-175.5	0	108.4	C3	C3-K5 PolarHBondContact O-N 3.11Å; C3-K5 VanDerWaalsContact O-N 3.11Å
6	L	39.8	Very low	49.4	Very low	146 Å²	146	115.3 Å²	115.3	76%	0.764	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-79.8	120.6	163.2	-77.4	158.7	0	0	0	108.4	L4	L4-L6 PolarHBondContact O-N 3.31Å
7	P	40.6	Very low	50.4	Low	111 Å²	111	113.7 Å²	113.7	72%	0.721	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-73.6	135	167.9	6	9.5	0	0	0	109
8	G	47.3	Very low	51.2	Low	74 Å²	74	111 Å²	111	76%	0.763	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-63.7	157.5	-173.8	0	0	0	0	0	115	S10	G8-S10 PolarHBondContact O-N 3.47Å
9	G	54.2	Low	51.7	Low	73 Å²	73	110.9 Å²	110.9	75%	0.753	67%	0.667	S	S	*	*	S	Bend	trans	104.7	-40	142.7	0	0	0	0	0	117.2
10	S	54.2	Low	52.3	Low	85 Å²	85	111.5 Å²	111.5	59%	0.594	66%	0.663	S	S	*	*	S	Bend	trans	-107.7	-34.2	-172.7	55.7	0	0	0	0	114.1	G8 L12 A13 V14	G8-S10 PolarHBondContact O-N 3.47Å; S10-L12 PolarHBondContact O-N 3.45Å; S10-A13 PolarHBondContact O-N 2.93Å; S10-V14 WeakPolarHBondContact O-CG2 3.26Å; S10-V14 PolarHBondContact O-N 3.4Å; S10-V14 VanDerWaalsContact O-N 3.07Å
11	S	56.6	Low	52.8	Low	70 Å²	70	111 Å²	111	49%	0.49	66%	0.661	S	S	.	*	H	α-helix	trans	-68.1	-36.5	-175.6	174.7	0	0	0	0	113	V14 L15	S11-V14 PolarHBondContact O-N 3.47Å; S11-L15 VanDerWaalsContact O-CB 3.23Å; S11-L15 WeakPolarHBondContact O-CB 3.23Å; S11-L15 PolarHBondContact O-N 2.82Å
12	L	57.9	Low	53.7	Low	130 Å²	130	105.2 Å²	105.2	68%	0.681	63%	0.634	S	S	*	*	H	α-helix	trans	-67.2	-38	177.2	-94.4	156.5	0	0	0	112.3	S10 L15 T16	S10-L12 PolarHBondContact O-N 3.45Å; L12-L15 PolarHBondContact O-N 2.86Å; L12-T16 WeakPolarHBondContact O-CB 3.43Å; L12-T16 WeakPolarHBondContact O-CG2 3.5Å; L12-T16 PolarHBondContact O-N 3.5Å; L12-T16 PolarHBondContact O-OG1 3.37Å
13	A	61.1	Low	54.7	Low	51 Å²	51	102.9 Å²	102.9	42%	0.421	62%	0.623	S	S	.	*	H	α-helix	trans	-69.3	-40.9	176.8	0	0	0	0	0	111.6	S10 L15 T16 V17	S10-A13 PolarHBondContact O-N 2.93Å; A13-L15 VanDerWaalsContact C-N 3.35Å; A13-T16 WeakPolarHBondContact CA-OG1 3.35Å; A13-T16 PolarHBondContact O-N 3.48Å; A13-T16 PolarHBondContact O-OG1 3.07Å; A13-V17 WeakPolarHBondContact O-CB 3.21Å; A13-V17 WeakPolarHBondContact O-CG2 3.38Å; A13-V17 PolarHBondContact O-N 2.92Å
14	V	64.4	Low	55.6	Low	92 Å²	92	100.6 Å²	100.6	56%	0.558	61%	0.609	S	S	*	*	H	α-helix	trans	-64.7	-42.9	172.9	174.8	0	0	0	0	110.1	S10 S11 T16 V17 T18	S10-V14 WeakPolarHBondContact O-CG2 3.26Å; S10-V14 PolarHBondContact O-N 3.4Å; S10-V14 VanDerWaalsContact O-N 3.07Å; S11-V14 PolarHBondContact O-N 3.47Å; V14-T16 PolarHBondContact O-N 3.4Å; V14-V17 PolarHBondContact O-N 2.58Å; V14-T18 VanDerWaalsContact O-CB 3.26Å; V14-T18 WeakPolarHBondContact O-CB 3.11Å; V14-T18 PolarHBondContact O-N 2.81Å; V14-T18 PolarHBondContact O-OG1 2.79Å
15	L	67.6	Low	56.2	Low	100 Å²	100	104.6 Å²	104.6	52%	0.524	61%	0.614	S	S	.	*	H	α-helix	trans	-65.3	-40.5	179.5	-160.1	81.4	0	0	0	111.4	S11 L12 A13 T18 L19	S11-L15 VanDerWaalsContact O-CB 3.23Å; S11-L15 WeakPolarHBondContact O-CB 3.23Å; S11-L15 PolarHBondContact O-N 2.82Å; L12-L15 PolarHBondContact O-N 2.86Å; A13-L15 VanDerWaalsContact C-N 3.35Å; L15-T18 PolarHBondContact O-N 3.5Å; L15-L19 HydrophobicContact CD2-CD1 4.44Å; L15-L19 HydrophobicContact CG-CD1 4.14Å; L15-L19 VanDerWaalsContact O-CB 3.29Å; L15-L19 WeakPolarHBondContact O-CB 3.49Å; L15-L19 PolarHBondContact O-N 2.75Å
16	T	65	Low	56.8	Low	69 Å²	69	102.6 Å²	102.6	42%	0.423	61%	0.611	S	S	.	*	H	α-helix	trans	-69.3	-41.2	175.5	46.7	0	0	0	0	112.3	L12 A13 V14 T18 L19 M20	L12-T16 WeakPolarHBondContact O-CB 3.43Å; L12-T16 WeakPolarHBondContact O-CG2 3.5Å; L12-T16 PolarHBondContact O-N 3.5Å; L12-T16 PolarHBondContact O-OG1 3.37Å; A13-T16 WeakPolarHBondContact CA-OG1 3.35Å; A13-T16 PolarHBondContact O-N 3.48Å; A13-T16 PolarHBondContact O-OG1 3.07Å; V14-T16 PolarHBondContact O-N 3.4Å; T16-T18 VanDerWaalsContact C-N 3.34Å; T16-L19 PolarHBondContact O-N 3.49Å; T16-M20 WeakPolarHBondContact O-CB 3.37Å; T16-M20 VanDerWaalsContact O-CG 3.29Å; T16-M20 WeakPolarHBondContact O-CG 3.29Å; T16-M20 PolarHBondContact O-N 3.4Å
17	V	66.1	Low	57.6	Low	89 Å²	89	99.4 Å²	99.4	54%	0.539	61%	0.606	S	S	.	*	H	α-helix	trans	-63.5	-42.1	173.9	171.2	0	0	0	0	110.6	A13 V14 M20 V21	A13-V17 WeakPolarHBondContact O-CB 3.21Å; A13-V17 WeakPolarHBondContact O-CG2 3.38Å; A13-V17 PolarHBondContact O-N 2.92Å; V14-V17 PolarHBondContact O-N 2.58Å; V17-M20 PolarHBondContact O-N 2.79Å; V17-V21 HydrophobicContact CG1-CG2 4.42Å; V17-V21 WeakPolarHBondContact O-CB 3.41Å; V17-V21 VanDerWaalsContact O-CG2 3.25Å; V17-V21 WeakPolarHBondContact O-CG2 3.25Å; V17-V21 PolarHBondContact O-N 2.86Å
18	T	64.9	Low	58.2	Low	65 Å²	65	103.5 Å²	103.5	40%	0.399	61%	0.613	S	S	.	*	H	α-helix	trans	-67.2	-39.7	177.2	-46.5	0	0	0	0	110.8	V14 L15 T16 V21 L22	V14-T18 VanDerWaalsContact O-CB 3.26Å; V14-T18 WeakPolarHBondContact O-CB 3.11Å; V14-T18 PolarHBondContact O-N 2.81Å; V14-T18 PolarHBondContact O-OG1 2.79Å; L15-T18 PolarHBondContact O-N 3.5Å; T16-T18 VanDerWaalsContact C-N 3.34Å; T18-V21 PolarHBondContact O-N 3Å; T18-L22 HydrophobicContact CG2-CD1 3.62Å; T18-L22 WeakPolarHBondContact O-CB 3.45Å; T18-L22 VanDerWaalsContact O-CD1 3.25Å; T18-L22 WeakPolarHBondContact O-CD1 3.39Å; T18-L22 PolarHBondContact O-N 3.34Å
19	L	61.1	Low	58.7	Low	110 Å²	110	103.8 Å²	103.8	58%	0.576	61%	0.608	S	S	*	*	H	α-helix	trans	-64.8	-39.6	172.4	-109.1	123.9	0	0	0	112.1	L15 T16 L22 S23	L15-L19 HydrophobicContact CD2-CD1 4.44Å; L15-L19 HydrophobicContact CG-CD1 4.14Å; L15-L19 VanDerWaalsContact O-CB 3.29Å; L15-L19 WeakPolarHBondContact O-CB 3.49Å; L15-L19 PolarHBondContact O-N 2.75Å; T16-L19 PolarHBondContact O-N 3.49Å; L19-L22 PolarHBondContact O-N 3.34Å; L19-S23 WeakPolarHBondContact O-CA 3.29Å; L19-S23 WeakPolarHBondContact O-CB 3.25Å; L19-S23 PolarHBondContact O-N 2.79Å; L19-S23 PolarHBondContact O-OG 2.85Å
20	M	63.7	Low	59.3	Low	122 Å²	122	102.3 Å²	102.3	60%	0.601	59%	0.593	S	S	*	*	H	α-helix	trans	-65.9	-40.7	175.1	-75.1	-171.2	-153.7	0	0	111.5	T16 V17 S23 S24	T16-M20 WeakPolarHBondContact O-CB 3.37Å; T16-M20 VanDerWaalsContact O-CG 3.29Å; T16-M20 WeakPolarHBondContact O-CG 3.29Å; T16-M20 PolarHBondContact O-N 3.4Å; V17-M20 PolarHBondContact O-N 2.79Å; M20-S23 VanDerWaalsContact CA-OG 3.31Å; M20-S23 WeakPolarHBondContact CA-OG 3.26Å; M20-S23 CarbonylContact O-C 3.57Å; M20-S23 PolarHBondContact O-N 3.22Å; M20-S23 PolarHBondContact O-OG 3.48Å; M20-S24 WeakPolarHBondContact O-CB 3.31Å; M20-S24 PolarHBondContact O-N 3.37Å; M20-S24 PolarHBondContact O-OG 3.28Å
21	V	62.1	Low	60.2	Low	100 Å²	100	101.3 Å²	101.3	61%	0.606	58%	0.581	S	S	*	*	H	α-helix	trans	-69.8	-37.4	176.7	172	0	0	0	0	111.5	V17 T18 S24	V17-V21 HydrophobicContact CG1-CG2 4.42Å; V17-V21 WeakPolarHBondContact O-CB 3.41Å; V17-V21 VanDerWaalsContact O-CG2 3.25Å; V17-V21 WeakPolarHBondContact O-CG2 3.25Å; V17-V21 PolarHBondContact O-N 2.86Å; T18-V21 PolarHBondContact O-N 3Å; V21-S24 WeakPolarHBondContact O-CB 3.08Å; V21-S24 PolarHBondContact O-N 2.99Å
22	L	58.1	Low	61.3	Low	127 Å²	127	103.9 Å²	103.9	67%	0.665	59%	0.594	S	S	*	*	H	α-helix	trans	-75.3	-31	173.6	-90.9	117.6	0	0	0	113.1	T18 L19 S24	T18-L22 HydrophobicContact CG2-CD1 3.62Å; T18-L22 WeakPolarHBondContact O-CB 3.45Å; T18-L22 VanDerWaalsContact O-CD1 3.25Å; T18-L22 WeakPolarHBondContact O-CD1 3.39Å; T18-L22 PolarHBondContact O-N 3.34Å; L19-L22 PolarHBondContact O-N 3.34Å; L22-S24 VanDerWaalsContact C-N 3.32Å
23	S	55.6	Low	62.9	Low	74 Å²	74	106 Å²	106	52%	0.517	59%	0.593	S	S	.	*	H	α-helix	trans	-83.4	-7.4	173.1	69.3	0	0	0	0	113.3	L19 M20 R25 L26	L19-S23 WeakPolarHBondContact O-CA 3.29Å; L19-S23 WeakPolarHBondContact O-CB 3.25Å; L19-S23 PolarHBondContact O-N 2.79Å; L19-S23 PolarHBondContact O-OG 2.85Å; M20-S23 VanDerWaalsContact CA-OG 3.31Å; M20-S23 WeakPolarHBondContact CA-OG 3.26Å; M20-S23 CarbonylContact O-C 3.57Å; M20-S23 PolarHBondContact O-N 3.22Å; M20-S23 PolarHBondContact O-OG 3.48Å; S23-R25 CarbonylContact O-C 3.54Å; S23-R25 PolarHBondContact O-N 3.07Å; S23-L26 PolarHBondContact O-N 2.95Å
24	S	50.8	Low	64.3	Low	81 Å²	81	108.6 Å²	108.6	57%	0.566	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	3.6	167.4	-59.5	0	0	0	0	113.2	M20 V21 L22 L26	M20-S24 WeakPolarHBondContact O-CB 3.31Å; M20-S24 PolarHBondContact O-N 3.37Å; M20-S24 PolarHBondContact O-OG 3.28Å; V21-S24 WeakPolarHBondContact O-CB 3.08Å; V21-S24 PolarHBondContact O-N 2.99Å; L22-S24 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 2.94Å
25	R	48.5	Very low	65.7	Low	231 Å²	231	112.9 Å²	112.9	87%	0.872	61%	0.611	S	S	*	*			trans	-69.6	41.1	151.8	-64	-168.8	-178.5	-169.4	1.8	111.6	S23 A27	S23-R25 CarbonylContact O-C 3.54Å; S23-R25 PolarHBondContact O-N 3.07Å; R25-A27 PolarHBondContact O-N 3.48Å
26	L	53	Low	66.9	Low	154 Å²	154	115.5 Å²	115.5	81%	0.806	62%	0.619	S	S	*	*			trans	-58.9	97	145.6	-96.2	136.7	0	0	0	104	S23 S24 F28	S23-L26 PolarHBondContact O-N 2.95Å; S24-L26 PolarHBondContact O-N 2.94Å; L26-F28 PolarHBondContact O-N 3.46Å; L26-F28 VanDerWaalsContact O-N 3.1Å
27	A	57.3	Low	68.4	Low	79 Å²	79	116.6 Å²	116.6	65%	0.653	62%	0.622	S	S	*	*			trans	-35.9	124.4	158.3	0	0	0	0	0	105.9	R25 A29	R25-A27 PolarHBondContact O-N 3.48Å; A27-A29 PolarHBondContact O-N 3.27Å
28	F	52.8	Low	69.8	Low	198 Å²	198	117.6 Å²	117.6	87%	0.868	62%	0.62	S	S	*	*			trans	-54.8	96.4	163.7	-159	-88.4	0	0	0	103.9	L26 G30	L26-F28 PolarHBondContact O-N 3.46Å; L26-F28 VanDerWaalsContact O-N 3.1Å; F28-G30 PolarHBondContact O-N 2.82Å
29	A	58.7	Low	71.3	Confident	79 Å²	79	118.1 Å²	118.1	65%	0.653	62%	0.617	S	S	*	*			trans	-68.5	81.4	169.6	0	0	0	0	0	102.6	A27 D31 T32	A27-A29 PolarHBondContact O-N 3.27Å; A29-D31 PolarHBondContact O-N 3.47Å; A29-T32 HydrophobicContact CB-CG2 4.48Å
30	G	65.6	Low	73	Confident	42 Å²	42	119 Å²	119	43%	0.433	62%	0.617	S	S	.	*			trans	-49	129.2	167.1	0	0	0	0	0	105.4	F28 T32	F28-G30 PolarHBondContact O-N 2.82Å; G30-T32 WeakPolarHBondContact O-CG2 3.34Å; G30-T32 PolarHBondContact O-N 3.46Å
31	D	74.1	Confident	74.7	Confident	64 Å²	64	115.1 Å²	115.1	34%	0.342	60%	0.6	S	S	.	*			trans	-17.2	97.3	176.4	178.9	18.4	0	0	0	113.2	A29 R33 R35	A29-D31 PolarHBondContact O-N 3.47Å; D31-R33 VanDerWaalsContact CG-NE 3.34Å; D31-R33 PolarHBondContact O-N 3.15Å; D31-R33 WeakPolarHBondContact OD1-CB 3.44Å; D31-R33 VanDerWaalsContact OD1-CG 3.24Å; D31-R33 WeakPolarHBondContact OD1-CG 3.31Å; D31-R33 IonicContact OD1-CZ 2.91Å; D31-R33 PolarHBondContact OD1-N 3.39Å; D31-R33 IonicContact OD1-NE 4Å; D31-R33 PolarHBondContact OD1-NE 3.49Å; D31-R33 IonicContact OD1-NH2 3.58Å; D31-R33 IonicContact OD2-CZ 3.43Å; D31-R33 IonicContact OD2-NE 3.42Å; D31-R33 PolarHBondContact OD2-NE 3.22Å; D31-R33 IonicContact OD2-NH2 2.64Å; D31-R33 PolarHBondContact OD2-NH2 3.29Å; D31-R35 IonicContact OD2-CZ 3.66Å; D31-R35 IonicContact OD2-NH2 3.64Å; D31-R35 PolarHBondContact OD2-NH2 3.02Å
32	T	78.5	Confident	76.4	Confident	124 Å²	124	112.3 Å²	112.3	76%	0.761	59%	0.585	S	S	*	*			trans	-83.2	11.5	-174.1	59.7	0	0	0	0	112.1	A29 G30	A29-T32 HydrophobicContact CB-CG2 4.48Å; G30-T32 WeakPolarHBondContact O-CG2 3.34Å; G30-T32 PolarHBondContact O-N 3.46Å
33	R	92.4	Very high	78.3	Confident	176 Å²	176	108.5 Å²	108.5	66%	0.664	56%	0.563	S	S	*	*			trans	-60.2	132.5	175.2	-73.4	179.7	-68.4	-178	0.3	108.4	D31 R35	D31-R33 VanDerWaalsContact CG-NE 3.34Å; D31-R33 PolarHBondContact O-N 3.15Å; D31-R33 WeakPolarHBondContact OD1-CB 3.44Å; D31-R33 VanDerWaalsContact OD1-CG 3.24Å; D31-R33 WeakPolarHBondContact OD1-CG 3.31Å; D31-R33 IonicContact OD1-CZ 2.91Å; D31-R33 PolarHBondContact OD1-N 3.39Å; D31-R33 IonicContact OD1-NE 4Å; D31-R33 PolarHBondContact OD1-NE 3.49Å; D31-R33 IonicContact OD1-NH2 3.58Å; D31-R33 IonicContact OD2-CZ 3.43Å; D31-R33 IonicContact OD2-NE 3.42Å; D31-R33 PolarHBondContact OD2-NE 3.22Å; D31-R33 IonicContact OD2-NH2 2.64Å; D31-R33 PolarHBondContact OD2-NH2 3.29Å; R33-R35 PolarHBondContact O-N 3.28Å
34	P	90.8	Very high	80.3	Confident	105 Å²	105	106.6 Å²	106.6	68%	0.682	55%	0.55	S	S	*	.			trans	-58.8	132.5	174.2	26	-33.2	0	0	0	108.7	F36	P34-F36 HydrophobicContact CB-CE2 3.89Å; P34-F36 HydrophobicContact CB-CZ 3.99Å; P34-F36 HydrophobicContact CG-CE2 4.32Å
35	R	92.1	Very high	82.6	Confident	182 Å²	182	105.9 Å²	105.9	69%	0.687	54%	0.537	S	S	*	.			trans	-114.7	136.1	175.9	-64.2	-172.2	-177.4	-179.2	-0.1	108.3	D31 R33	D31-R35 IonicContact OD2-CZ 3.66Å; D31-R35 IonicContact OD2-NH2 3.64Å; D31-R35 PolarHBondContact OD2-NH2 3.02Å; R33-R35 PolarHBondContact O-N 3.28Å
36	F	94.6	Very high	85	Confident	155 Å²	155	98.5 Å²	98.5	68%	0.68	51%	0.511	S	S	*	.			trans	-121.9	132.9	175.5	-54.5	-83.8	0	0	0	106.8	P34 N62	P34-F36 HydrophobicContact CB-CE2 3.89Å; P34-F36 HydrophobicContact CB-CZ 3.99Å; P34-F36 HydrophobicContact CG-CE2 4.32Å; F36-N62 WeakPolarHBondContact CA-OD1 3.41Å
37	L	96.1	Very high	87.1	Confident	92 Å²	92	95.9 Å²	95.9	48%	0.482	49%	0.494	S	S	.	.			trans	-123.5	121.3	176	176.1	68.1	0	0	0	107.7	F39 N62	L37-F39 HydrophobicContact CD2-CD1 3.84Å; L37-F39 HydrophobicContact CD2-CE1 4.28Å; L37-F39 HydrophobicContact CG-CD1 4.01Å; L37-N62 PolarHBondContact N-OD1 3.27Å; L37-N62 WeakPolarHBondContact O-CA 3.43Å; L37-N62 PolarHBondContact O-N 3.48Å
38	E	96	Very high	88.9	Confident	110 Å²	110	98.6 Å²	98.6	51%	0.514	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128	165.2	-165.5	64.6	-151.2	0	0	107.2	H61	E38-H61 IonicContact OE2-CE1 3.25Å; E38-H61 IonicContact OE2-CG 2.92Å; E38-H61 IonicContact OE2-ND1 3.9Å; E38-H61 PolarHBondContact OE2-ND1 2.98Å
39	F	96.3	Very high	90.9	Very high	75 Å²	75	90.5 Å²	90.5	33%	0.329	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	157.4	173	79.1	-86.2	0	0	0	110.5	L37 T41 F60 N62	L37-F39 HydrophobicContact CD2-CD1 3.84Å; L37-F39 HydrophobicContact CD2-CE1 4.28Å; L37-F39 HydrophobicContact CG-CD1 4.01Å; F39-T41 HydrophobicContact CD2-CG2 4.38Å; F39-T41 HydrophobicContact CE2-CG2 4.1Å; F39-F60 HydrophobicContact CD1-CB 3.68Å; F39-F60 HydrophobicContact CD1-CG 4.38Å; F39-F60 HydrophobicContact CD2-CB 4.36Å; F39-F60 AromaticContact CD2-CD2 3.82Å; F39-F60 HydrophobicContact CD2-CD2 3.82Å; F39-F60 HydrophobicContact CD2-CE2 4.45Å; F39-F60 HydrophobicContact CD2-CG 4.33Å; F39-F60 HydrophobicContact CE1-CB 3.33Å; F39-F60 HydrophobicContact CE1-CD1 4.32Å; F39-F60 HydrophobicContact CE1-CD2 4.2Å; F39-F60 AromaticContact CE1-CG 3.74Å; F39-F60 HydrophobicContact CE1-CG 3.74Å; F39-F60 HydrophobicContact CE2-CB 4.05Å; F39-F60 HydrophobicContact CE2-CD1 4.37Å; F39-F60 AromaticContact CE2-CD2 3.29Å; F39-F60 HydrophobicContact CE2-CD2 3.29Å; F39-F60 AromaticContact CE2-CE2 3.69Å; F39-F60 HydrophobicContact CE2-CE2 3.69Å; F39-F60 AromaticContact CE2-CG 3.68Å; F39-F60 HydrophobicContact CE2-CG 3.68Å; F39-F60 HydrophobicContact CE2-CZ 4.38Å; F39-F60 HydrophobicContact CG-CB 4.2Å; F39-F60 HydrophobicContact CG-CD2 4.45Å; F39-F60 HydrophobicContact CZ-CB 3.52Å; F39-F60 AromaticContact CZ-CD1 3.79Å; F39-F60 HydrophobicContact CZ-CD1 3.79Å; F39-F60 AromaticContact CZ-CD2 3.52Å; F39-F60 HydrophobicContact CZ-CD2 3.52Å; F39-F60 HydrophobicContact CZ-CE1 4.32Å; F39-F60 HydrophobicContact CZ-CE2 4.08Å; F39-F60 AromaticContact CZ-CG 3.34Å; F39-F60 HydrophobicContact CZ-CG 3.34Å; F39-F60 HydrophobicContact CZ-CZ 4.45Å; F39-F60 PolarHBondContact N-O 3.28Å; F39-F60 VanDerWaalsContact N-O 3.09Å; F39-F60 WeakPolarHBondContact O-CB 3.36Å; F39-F60 PolarHBondContact O-N 3.03Å; F39-N62 WeakPolarHBondContact CE1-O 3.49Å
40	F	96.3	Very high	92.7	Very high	130 Å²	130	89.3 Å²	89.3	57%	0.57	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	156.1	173.6	68.7	-87.4	0	0	0	110.4	R58	F40-R58 CarbonylContact C-O 3.5Å; F40-R58 WeakPolarHBondContact CA-O 3.3Å; F40-R58 VanDerWaalsContact CB-O 3.27Å; F40-R58 WeakPolarHBondContact CB-O 3.35Å
41	T	98.2	Very high	94.1	Very high	39 Å²	39	94.1 Å²	94.1	24%	0.239	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142	169.9	62.9	0	0	0	0	109.6	F39 E43 E57 R58 F60	F39-T41 HydrophobicContact CD2-CG2 4.38Å; F39-T41 HydrophobicContact CE2-CG2 4.1Å; T41-E43 PolarHBondContact OG1-OE1 2.99Å; T41-E57 CarbonylContact O-C 3.57Å; T41-E57 VanDerWaalsContact O-CA 3.24Å; T41-E57 WeakPolarHBondContact O-CA 3.46Å; T41-R58 PolarHBondContact N-O 3.32Å; T41-R58 PolarHBondContact O-N 2.94Å; T41-F60 HydrophobicContact CG2-CE2 4.01Å
42	S	98	Very high	95.2	Very high	42 Å²	42	98.2 Å²	98.2	29%	0.294	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	98.3	170	-61	0	0	0	0	107
43	E	98.6	Very high	96.2	Very high	47 Å²	47	92.8 Å²	92.8	22%	0.22	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.4	-170.7	-55.8	174.2	-160.9	0	0	110.2	T41 H45 F55 L56 R58	T41-E43 PolarHBondContact OG1-OE1 2.99Å; E43-H45 IonicContact OE2-CE1 2.82Å; E43-H45 IonicContact OE2-NE2 3.94Å; E43-H45 PolarHBondContact OE2-NE2 3.47Å; E43-F55 WeakPolarHBondContact O-CA 3.43Å; E43-L56 HydrophobicContact CB-CB 4.31Å; E43-L56 PolarHBondContact N-O 3.45Å; E43-L56 PolarHBondContact O-N 3.47Å; E43-R58 WeakPolarHBondContact OE1-CD 3.48Å; E43-R58 IonicContact OE1-NH1 2.74Å; E43-R58 PolarHBondContact OE1-NH1 3.5Å; E43-R58 VanDerWaalsContact OE1-NH1 3.15Å
44	C	98.6	Very high	96.5	Very high	34 Å²	34	87.5 Å²	87.5	23%	0.23	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.2	171.6	-65.8	0	0	0	0	109	F46 Y107 C108	C44-F46 HydrophobicContact CB-CD2 4.45Å; C44-F46 HydrophobicContact CB-CE1 4.46Å; C44-F46 HydrophobicContact CB-CE2 3.56Å; C44-F46 HydrophobicContact CB-CZ 3.56Å; C44-F46 WeakPolarHBondContact O-CD2 3.44Å; C44-F46 WeakPolarHBondContact O-CE2 3.36Å; C44-Y107 VanDerWaalsContact SG-CD1 3.53Å; C44-C108 HydrophobicContact CB-CB 3.6Å; C44-C108 WeakPolarHBondContact CB-SG 3.47Å; C44-C108 WeakPolarHBondContact SG-CA 3.17Å; C44-C108 WeakPolarHBondContact SG-CB 3.39Å; C44-C108 CovalentContact SG-SG 2.03Å; C44-C108 PolarHBondContact SG-SG 3.03Å
45	H	98.4	Very high	96.8	Very high	66 Å²	66	82.6 Å²	82.6	31%	0.306	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119	178.4	-65	-96.9	0	0	0	109.2	E43 F47 V53 R54	E43-H45 IonicContact OE2-CE1 2.82Å; E43-H45 IonicContact OE2-NE2 3.94Å; E43-H45 PolarHBondContact OE2-NE2 3.47Å; H45-F47 HydrophobicContact CB-CE2 3.78Å; H45-F47 HydrophobicContact CB-CZ 4Å; H45-V53 WeakPolarHBondContact O-CA 3.47Å; H45-R54 HydrophobicContact CB-CB 4.28Å; H45-R54 PolarHBondContact N-O 3.02Å; H45-R54 PolarHBondContact O-N 3.43Å
46	F	98.3	Very high	97.1	Very high	75 Å²	75	74.4 Å²	74.4	33%	0.329	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.9	-175.2	-62.2	-77.8	0	0	0	110.4	C44 G49 T50 V53 C108 Y112	C44-F46 HydrophobicContact CB-CD2 4.45Å; C44-F46 HydrophobicContact CB-CE1 4.46Å; C44-F46 HydrophobicContact CB-CE2 3.56Å; C44-F46 HydrophobicContact CB-CZ 3.56Å; C44-F46 WeakPolarHBondContact O-CD2 3.44Å; C44-F46 WeakPolarHBondContact O-CE2 3.36Å; F46-G49 WeakPolarHBondContact CB-O 3.49Å; F46-T50 HydrophobicContact CD1-CG2 4.39Å; F46-V53 HydrophobicContact CD1-CG1 4.22Å; F46-V53 HydrophobicContact CD1-CG2 3.89Å; F46-V53 HydrophobicContact CE1-CG1 4.04Å; F46-V53 HydrophobicContact CE1-CG2 4.21Å; F46-C108 HydrophobicContact CE1-CB 4.19Å; F46-C108 HydrophobicContact CZ-CB 4.13Å; F46-C108 WeakPolarHBondContact CZ-O 3.35Å; F46-Y112 HydrophobicContact CB-CD2 4.48Å; F46-Y112 HydrophobicContact CB-CE2 4.41Å; F46-Y112 AromaticContact CD1-CD2 3.53Å; F46-Y112 HydrophobicContact CD1-CD2 3.53Å; F46-Y112 HydrophobicContact CD1-CE2 4.19Å; F46-Y112 HydrophobicContact CD1-CG 4.19Å; F46-Y112 HydrophobicContact CD2-CD2 4.03Å; F46-Y112 AromaticContact CE1-CD2 3.64Å; F46-Y112 HydrophobicContact CE1-CD2 3.64Å; F46-Y112 AromaticContact CE1-CG 3.96Å; F46-Y112 HydrophobicContact CE1-CG 3.96Å; F46-Y112 HydrophobicContact CE2-CD2 4.11Å; F46-Y112 AromaticContact CG-CD2 3.74Å; F46-Y112 HydrophobicContact CG-CD2 3.74Å; F46-Y112 HydrophobicContact CG-CE2 4.14Å; F46-Y112 AromaticContact CZ-CD2 3.92Å; F46-Y112 HydrophobicContact CZ-CD2 3.92Å; F46-Y112 HydrophobicContact CZ-CG 4.33Å
47	F	97.3	Very high	97.3	Very high	99 Å²	99	67.5 Å²	67.5	43%	0.434	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.1	178	-54.1	-86.6	0	0	0	109.2	H45 R52 R54	H45-F47 HydrophobicContact CB-CE2 3.78Å; H45-F47 HydrophobicContact CB-CZ 4Å; F47-R52 HydrophobicContact CB-CB 4.2Å; F47-R52 HydrophobicContact CD2-CG 4.19Å; F47-R52 PolarHBondContact N-O 2.89Å; F47-R52 PolarHBondContact O-N 3.39Å; F47-R54 HydrophobicContact CE2-CB 4.4Å
48	N	95.7	Very high	97.4	Very high	136 Å²	136	66 Å²	66	73%	0.727	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	56.3	-174.8	-162	29.7	0	0	0	112.4	T50 E51	N48-T50 PolarHBondContact O-N 3.49Å; N48-E51 PolarHBondContact ND2-OE2 2.59Å
49	G	93.8	Very high	97.5	Very high	28 Å²	28	62 Å²	62	29%	0.289	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	-124.9	-171.7	0	0	0	0	0	111.2	F46	F46-G49 WeakPolarHBondContact CB-O 3.49Å
50	T	96.8	Very high	97.6	Very high	54 Å²	54	59.3 Å²	59.3	33%	0.331	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	10.7	-178.4	55	0	0	0	0	113.8	F46 N48 R109 Y112	F46-T50 HydrophobicContact CD1-CG2 4.39Å; N48-T50 PolarHBondContact O-N 3.49Å; T50-R109 HydrophobicContact CG2-CG 4.4Å; T50-R109 PolarHBondContact O-NE 3.02Å; T50-R109 PolarHBondContact O-NH2 3.35Å; T50-Y112 HydrophobicContact CG2-CD1 3.35Å; T50-Y112 HydrophobicContact CG2-CD2 4.07Å; T50-Y112 HydrophobicContact CG2-CE1 3.77Å; T50-Y112 HydrophobicContact CG2-CE2 4.41Å; T50-Y112 HydrophobicContact CG2-CG 3.52Å
51	E	95.4	Very high	97.6	Very high	144 Å²	144	56 Å²	56	67%	0.673	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-57.3	179	-174.4	-178.7	179.6	0	0	110.6	N48 R109	N48-E51 PolarHBondContact ND2-OE2 2.59Å; E51-R109 PolarHBondContact O-NH2 3.23Å
52	R	97.5	Very high	97.4	Very high	149 Å²	149	56.9 Å²	56.9	56%	0.562	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	123.7	170.8	-179.7	179.1	178.4	175.3	-0.1	109.7	F47 D72	F47-R52 HydrophobicContact CB-CB 4.2Å; F47-R52 HydrophobicContact CD2-CG 4.19Å; F47-R52 PolarHBondContact N-O 2.89Å; F47-R52 PolarHBondContact O-N 3.39Å; R52-D72 IonicContact NH2-OD2 2.68Å; R52-D72 PolarHBondContact NH2-OD2 3.01Å
53	V	98.4	Very high	97.2	Very high	10 Å²	10	64 Å²	64	6%	0.061	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.7	179.8	-178	0	0	0	0	108.6	H45 F46 V104 C108 R109	H45-V53 WeakPolarHBondContact O-CA 3.47Å; F46-V53 HydrophobicContact CD1-CG1 4.22Å; F46-V53 HydrophobicContact CD1-CG2 3.89Å; F46-V53 HydrophobicContact CE1-CG1 4.04Å; F46-V53 HydrophobicContact CE1-CG2 4.21Å; V53-V104 HydrophobicContact CB-CG1 3.73Å; V53-V104 HydrophobicContact CG1-CG1 3.85Å; V53-C108 HydrophobicContact CG1-CB 3.5Å; V53-C108 VanDerWaalsContact CG1-CB 3.5Å; V53-R109 HydrophobicContact CG2-CG 3.92Å
54	R	98.4	Very high	97.1	Very high	66 Å²	66	66.4 Å²	66.4	25%	0.249	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.6	174.5	179	-176.3	178.9	-158.5	8.6	109.3	H45 F47 D70 S71	H45-R54 HydrophobicContact CB-CB 4.28Å; H45-R54 PolarHBondContact N-O 3.02Å; H45-R54 PolarHBondContact O-N 3.43Å; F47-R54 HydrophobicContact CE2-CB 4.4Å; R54-D70 IonicContact CZ-OD1 3.57Å; R54-D70 IonicContact CZ-OD2 2.9Å; R54-D70 IonicContact NE-OD1 3.61Å; R54-D70 PolarHBondContact NE-OD1 3.48Å; R54-D70 IonicContact NE-OD2 3.69Å; R54-D70 PolarHBondContact NE-OD2 3.46Å; R54-D70 IonicContact NH2-OD1 2.65Å; R54-D70 IonicContact NH2-OD2 2.68Å; R54-D70 PolarHBondContact NH2-OD2 3.12Å; R54-S71 WeakPolarHBondContact CA-OG 3.33Å
55	F	98.7	Very high	97	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.009	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.9	171.9	174.7	-107.2	0	0	0	109.2	E43 E57 F69 S71 K100 Q103 V104 Y107	E43-F55 WeakPolarHBondContact O-CA 3.43Å; F55-E57 HydrophobicContact CE1-CB 4.06Å; F55-E57 HydrophobicContact CZ-CB 4.03Å; F55-F69 AromaticContact CD1-CD1 3.89Å; F55-F69 HydrophobicContact CD1-CD1 3.89Å; F55-F69 AromaticContact CD1-CE1 3.99Å; F55-F69 HydrophobicContact CD1-CE1 3.99Å; F55-F69 HydrophobicContact CE1-CD1 4.02Å; F55-F69 HydrophobicContact CE1-CE1 4.4Å; F55-S71 PolarHBondContact N-OG 2.97Å; F55-S71 WeakPolarHBondContact O-CB 3.42Å; F55-S71 PolarHBondContact O-N 3.34Å; F55-S71 PolarHBondContact O-OG 3Å; F55-K100 HydrophobicContact CE1-CD 4.26Å; F55-Q103 HydrophobicContact CD1-CB 3.67Å; F55-Q103 HydrophobicContact CD1-CG 4.33Å; F55-Q103 HydrophobicContact CD2-CB 4Å; F55-Q103 HydrophobicContact CE1-CB 3.73Å; F55-Q103 HydrophobicContact CE1-CG 3.9Å; F55-Q103 HydrophobicContact CE2-CB 4.03Å; F55-Q103 HydrophobicContact CG-CB 3.8Å; F55-Q103 HydrophobicContact CZ-CB 3.9Å; F55-Q103 HydrophobicContact CZ-CG 4Å; F55-V104 HydrophobicContact CB-CG2 3.92Å; F55-Y107 HydrophobicContact CD2-CD1 4.39Å; F55-Y107 HydrophobicContact CE2-CD1 4.14Å; F55-Y107 HydrophobicContact CE2-CE1 4.47Å
56	L	98.6	Very high	97	Very high	10 Å²	10	62.8 Å²	62.8	5%	0.052	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	112.5	-178.8	-176.8	69.8	0	0	0	109.2	E43 R58 F69 D70	E43-L56 HydrophobicContact CB-CB 4.31Å; E43-L56 PolarHBondContact N-O 3.45Å; E43-L56 PolarHBondContact O-N 3.47Å; L56-R58 HydrophobicContact CD1-CG 4.43Å; L56-R58 HydrophobicContact CD2-CG 4.16Å; L56-R58 HydrophobicContact CG-CG 3.86Å; L56-F69 CarbonylContact C-O 3.6Å; L56-F69 WeakPolarHBondContact CA-O 3.2Å; L56-D70 HydrophobicContact CD1-CB 3.86Å
57	E	98.4	Very high	97	Very high	9 Å²	9	59.2 Å²	59.2	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.5	172.3	-172.4	178.7	107	0	0	109.5	T41 F55 H59 R68 F69 Y76 K100	T41-E57 CarbonylContact O-C 3.57Å; T41-E57 VanDerWaalsContact O-CA 3.24Å; T41-E57 WeakPolarHBondContact O-CA 3.46Å; F55-E57 HydrophobicContact CE1-CB 4.06Å; F55-E57 HydrophobicContact CZ-CB 4.03Å; E57-H59 IonicContact OE1-CD2 3.15Å; E57-H59 IonicContact OE1-CE1 2.71Å; E57-H59 IonicContact OE1-NE2 3.34Å; E57-H59 PolarHBondContact OE1-NE2 3.16Å; E57-R68 CarbonylContact O-C 3.54Å; E57-R68 WeakPolarHBondContact O-CA 3.35Å; E57-R68 WeakPolarHBondContact O-CB 3.48Å; E57-F69 HydrophobicContact CB-CB 4.22Å; E57-F69 PolarHBondContact N-O 3.27Å; E57-F69 PolarHBondContact O-N 3.25Å; E57-Y76 PolarHBondContact OE1-OH 3.47Å; E57-K100 IonicContact OE1-NZ 3.81Å; E57-K100 IonicContact OE2-NZ 3.22Å; E57-K100 PolarHBondContact OE2-NZ 2.97Å
58	R	98.4	Very high	97	Very high	62 Å²	62	58 Å²	58	23%	0.234	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.5	-175.9	-55.6	168.1	71.2	-161.9	-2.9	109.7	F40 T41 E43 L56 F60 E65 R68	F40-R58 CarbonylContact C-O 3.5Å; F40-R58 WeakPolarHBondContact CA-O 3.3Å; F40-R58 VanDerWaalsContact CB-O 3.27Å; F40-R58 WeakPolarHBondContact CB-O 3.35Å; T41-R58 PolarHBondContact N-O 3.32Å; T41-R58 PolarHBondContact O-N 2.94Å; E43-R58 WeakPolarHBondContact OE1-CD 3.48Å; E43-R58 IonicContact OE1-NH1 2.74Å; E43-R58 PolarHBondContact OE1-NH1 3.5Å; E43-R58 VanDerWaalsContact OE1-NH1 3.15Å; L56-R58 HydrophobicContact CD1-CG 4.43Å; L56-R58 HydrophobicContact CD2-CG 4.16Å; L56-R58 HydrophobicContact CG-CG 3.86Å; R58-F60 HydrophobicContact CB-CD2 4.38Å; R58-F60 HydrophobicContact CB-CE2 3.51Å; R58-F60 HydrophobicContact CB-CZ 3.84Å; R58-E65 HydrophobicContact CB-CG 4.35Å; R58-E65 WeakPolarHBondContact CG-OE1 3.35Å; R58-E65 IonicContact CZ-OE2 2.97Å; R58-E65 VanDerWaalsContact NE-CD 3.26Å; R58-E65 IonicContact NE-OE1 3.24Å; R58-E65 PolarHBondContact NE-OE1 3.47Å; R58-E65 VanDerWaalsContact NE-OE1 3.09Å; R58-E65 IonicContact NE-OE2 3.75Å; R58-E65 PolarHBondContact NE-OE2 2.87Å; R58-E65 VanDerWaalsContact NE-OE2 3.12Å; R58-E65 IonicContact NH2-OE2 2.62Å; R58-E65 PolarHBondContact NH2-OE2 3.2Å; R58-R68 HydrophobicContact CG-CB 4.3Å
59	H	97.9	Very high	97.2	Very high	25 Å²	25	51.5 Å²	51.5	12%	0.116	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.2	-179.3	-67.6	-94.1	0	0	0	109.9	E57 E65 N66 A67 Y76 W90	E57-H59 IonicContact OE1-CD2 3.15Å; E57-H59 IonicContact OE1-CE1 2.71Å; E57-H59 IonicContact OE1-NE2 3.34Å; E57-H59 PolarHBondContact OE1-NE2 3.16Å; H59-E65 CarbonylContact O-C 3.43Å; H59-E65 VanDerWaalsContact O-CA 3.31Å; H59-E65 WeakPolarHBondContact O-CA 3.37Å; H59-E65 WeakPolarHBondContact O-CG 3.41Å; H59-N66 WeakPolarHBondContact CB-OD1 3.27Å; H59-N66 PolarHBondContact O-N 3.05Å; H59-N66 PolarHBondContact O-OD1 3.28Å; H59-A67 PolarHBondContact N-O 3.06Å; H59-Y76 AromaticContact NE2-CE1 3.98Å; H59-W90 AromaticContact CD2-CH2 3.82Å; H59-W90 AromaticContact CD2-CZ3 3.76Å; H59-W90 AromaticContact CE1-CH2 3.7Å; H59-W90 AromaticContact CG-CH2 3.83Å; H59-W90 AromaticContact ND1-CH2 3.78Å; H59-W90 AromaticContact NE2-CH2 3.74Å; H59-W90 AromaticContact NE2-CZ3 3.84Å
60	F	97.8	Very high	97.4	Very high	19 Å²	19	51 Å²	51	8%	0.083	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.5	-173.4	-58.9	-98.2	0	0	0	111.5	F39 T41 R58 E64 E65	F39-F60 HydrophobicContact CD1-CB 3.68Å; F39-F60 HydrophobicContact CD1-CG 4.38Å; F39-F60 HydrophobicContact CD2-CB 4.36Å; F39-F60 AromaticContact CD2-CD2 3.82Å; F39-F60 HydrophobicContact CD2-CD2 3.82Å; F39-F60 HydrophobicContact CD2-CE2 4.45Å; F39-F60 HydrophobicContact CD2-CG 4.33Å; F39-F60 HydrophobicContact CE1-CB 3.33Å; F39-F60 HydrophobicContact CE1-CD1 4.32Å; F39-F60 HydrophobicContact CE1-CD2 4.2Å; F39-F60 AromaticContact CE1-CG 3.74Å; F39-F60 HydrophobicContact CE1-CG 3.74Å; F39-F60 HydrophobicContact CE2-CB 4.05Å; F39-F60 HydrophobicContact CE2-CD1 4.37Å; F39-F60 AromaticContact CE2-CD2 3.29Å; F39-F60 HydrophobicContact CE2-CD2 3.29Å; F39-F60 AromaticContact CE2-CE2 3.69Å; F39-F60 HydrophobicContact CE2-CE2 3.69Å; F39-F60 AromaticContact CE2-CG 3.68Å; F39-F60 HydrophobicContact CE2-CG 3.68Å; F39-F60 HydrophobicContact CE2-CZ 4.38Å; F39-F60 HydrophobicContact CG-CB 4.2Å; F39-F60 HydrophobicContact CG-CD2 4.45Å; F39-F60 HydrophobicContact CZ-CB 3.52Å; F39-F60 AromaticContact CZ-CD1 3.79Å; F39-F60 HydrophobicContact CZ-CD1 3.79Å; F39-F60 AromaticContact CZ-CD2 3.52Å; F39-F60 HydrophobicContact CZ-CD2 3.52Å; F39-F60 HydrophobicContact CZ-CE1 4.32Å; F39-F60 HydrophobicContact CZ-CE2 4.08Å; F39-F60 AromaticContact CZ-CG 3.34Å; F39-F60 HydrophobicContact CZ-CG 3.34Å; F39-F60 HydrophobicContact CZ-CZ 4.45Å; F39-F60 PolarHBondContact N-O 3.28Å; F39-F60 VanDerWaalsContact N-O 3.09Å; F39-F60 WeakPolarHBondContact O-CB 3.36Å; F39-F60 PolarHBondContact O-N 3.03Å; T41-F60 HydrophobicContact CG2-CE2 4.01Å; R58-F60 HydrophobicContact CB-CD2 4.38Å; R58-F60 HydrophobicContact CB-CE2 3.51Å; R58-F60 HydrophobicContact CB-CZ 3.84Å; F60-E64 WeakPolarHBondContact CA-O 3.16Å; F60-E65 HydrophobicContact CD1-CB 3.69Å; F60-E65 HydrophobicContact CD1-CG 4.23Å; F60-E65 HydrophobicContact CE1-CB 3.62Å; F60-E65 HydrophobicContact CE1-CG 3.99Å; F60-E65 HydrophobicContact CZ-CB 4.4Å; F60-E65 HydrophobicContact CZ-CG 4.29Å
61	H	96.4	Very high	97.5	Very high	60 Å²	60	49.7 Å²	49.7	28%	0.278	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115.7	163.9	-165	70.6	0	0	0	109.2	E38 Q63 E64 L82	E38-H61 IonicContact OE2-CE1 3.25Å; E38-H61 IonicContact OE2-CG 2.92Å; E38-H61 IonicContact OE2-ND1 3.9Å; E38-H61 PolarHBondContact OE2-ND1 2.98Å; H61-Q63 PolarHBondContact O-N 3.3Å; H61-E64 PolarHBondContact N-O 3.44Å; H61-E64 PolarHBondContact O-N 3.22Å; H61-L82 HydrophobicContact CB-CD2 3.94Å
62	N	94.4	Very high	97.6	Very high	58 Å²	58	47 Å²	47	31%	0.31	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-98.2	-170.2	-57.9	-50.7	0	0	0	113.3	F36 L37 F39	F36-N62 WeakPolarHBondContact CA-OD1 3.41Å; L37-N62 PolarHBondContact N-OD1 3.27Å; L37-N62 WeakPolarHBondContact O-CA 3.43Å; L37-N62 PolarHBondContact O-N 3.48Å; F39-N62 WeakPolarHBondContact CE1-O 3.49Å
63	Q	93.3	Very high	97.6	Very high	192 Å²	192	43.7 Å²	43.7	90%	0.897	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.7	3.9	176.8	-65.4	179.8	-0.7	0	0	111.4	H61	H61-Q63 PolarHBondContact O-N 3.3Å
64	E	96	Very high	97.6	Very high	96 Å²	96	43.7 Å²	43.7	45%	0.449	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121	-175.4	-175.2	167.6	-159.4	0	0	110.3	F60 H61 N66 R80	F60-E64 WeakPolarHBondContact CA-O 3.16Å; H61-E64 PolarHBondContact N-O 3.44Å; H61-E64 PolarHBondContact O-N 3.22Å; E64-N66 PolarHBondContact O-N 3.1Å; E64-R80 HydrophobicContact CG-CG 4Å; E64-R80 WeakPolarHBondContact OE1-CD 3.12Å; E64-R80 VanDerWaalsContact OE1-CG 3.26Å; E64-R80 WeakPolarHBondContact OE1-CG 3.41Å; E64-R80 IonicContact OE1-CZ 3.8Å; E64-R80 IonicContact OE1-NE 3.91Å; E64-R80 PolarHBondContact OE1-NE 3.27Å; E64-R80 IonicContact OE1-NH2 3.41Å
65	E	97.8	Very high	97.6	Very high	18 Å²	18	43.2 Å²	43.2	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	125.9	171.8	-169.6	-177.6	171.3	0	0	110.1	R58 H59 F60 R68 V79 R80	R58-E65 HydrophobicContact CB-CG 4.35Å; R58-E65 WeakPolarHBondContact CG-OE1 3.35Å; R58-E65 IonicContact CZ-OE2 2.97Å; R58-E65 VanDerWaalsContact NE-CD 3.26Å; R58-E65 IonicContact NE-OE1 3.24Å; R58-E65 PolarHBondContact NE-OE1 3.47Å; R58-E65 VanDerWaalsContact NE-OE1 3.09Å; R58-E65 IonicContact NE-OE2 3.75Å; R58-E65 PolarHBondContact NE-OE2 2.87Å; R58-E65 VanDerWaalsContact NE-OE2 3.12Å; R58-E65 IonicContact NH2-OE2 2.62Å; R58-E65 PolarHBondContact NH2-OE2 3.2Å; H59-E65 CarbonylContact O-C 3.43Å; H59-E65 VanDerWaalsContact O-CA 3.31Å; H59-E65 WeakPolarHBondContact O-CA 3.37Å; H59-E65 WeakPolarHBondContact O-CG 3.41Å; F60-E65 HydrophobicContact CD1-CB 3.69Å; F60-E65 HydrophobicContact CD1-CG 4.23Å; F60-E65 HydrophobicContact CE1-CB 3.62Å; F60-E65 HydrophobicContact CE1-CG 3.99Å; F60-E65 HydrophobicContact CZ-CB 4.4Å; F60-E65 HydrophobicContact CZ-CG 4.29Å; E65-R68 IonicContact OE1-CZ 2.85Å; E65-R68 IonicContact OE1-NE 3.56Å; E65-R68 PolarHBondContact OE1-NE 2.9Å; E65-R68 IonicContact OE1-NH2 4Å; E65-R68 PolarHBondContact OE1-NH2 2.92Å; E65-R68 IonicContact OE2-CZ 2.75Å; E65-R68 IonicContact OE2-NH2 2.74Å; E65-R68 PolarHBondContact OE2-NH2 2.98Å; E65-V79 HydrophobicContact CB-CG1 4.49Å; E65-V79 HydrophobicContact CG-CB 4.44Å; E65-V79 HydrophobicContact CG-CG2 4.1Å; E65-R80 WeakPolarHBondContact O-CG 3.34Å
66	N	97	Very high	97.6	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.032	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-35.8	-173.9	58.8	30.7	0	0	0	112.9	H59 E64 V79 R80 L82 G83	H59-N66 WeakPolarHBondContact CB-OD1 3.27Å; H59-N66 PolarHBondContact O-N 3.05Å; H59-N66 PolarHBondContact O-OD1 3.28Å; E64-N66 PolarHBondContact O-N 3.1Å; N66-V79 PolarHBondContact O-N 2.99Å; N66-R80 PolarHBondContact O-N 3.47Å; N66-R80 VanDerWaalsContact O-N 3.09Å; N66-L82 HydrophobicContact CB-CB 4.29Å; N66-L82 HydrophobicContact CB-CD2 4.4Å; N66-L82 HydrophobicContact CB-CG 4.48Å; N66-G83 WeakPolarHBondContact O-CA 3.48Å
67	A	98.1	Very high	97.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	154.3	179.5	0	0	0	0	0	111.1	H59 R77 W90	H59-A67 PolarHBondContact N-O 3.06Å; A67-R77 WeakPolarHBondContact CA-O 3.17Å; A67-W90 HydrophobicContact CB-CZ3 4.04Å
68	R	98.5	Very high	97.5	Very high	74 Å²	74	51.3 Å²	51.3	28%	0.279	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	150.8	176	66.3	174.5	59.5	176.2	4.4	112.9	E57 R58 E65 Y76 R77 V79	E57-R68 CarbonylContact O-C 3.54Å; E57-R68 WeakPolarHBondContact O-CA 3.35Å; E57-R68 WeakPolarHBondContact O-CB 3.48Å; R58-R68 HydrophobicContact CG-CB 4.3Å; E65-R68 IonicContact OE1-CZ 2.85Å; E65-R68 IonicContact OE1-NE 3.56Å; E65-R68 PolarHBondContact OE1-NE 2.9Å; E65-R68 IonicContact OE1-NH2 4Å; E65-R68 PolarHBondContact OE1-NH2 2.92Å; E65-R68 IonicContact OE2-CZ 2.75Å; E65-R68 IonicContact OE2-NH2 2.74Å; E65-R68 PolarHBondContact OE2-NH2 2.98Å; R68-Y76 CarbonylContact O-C 3.6Å; R68-Y76 VanDerWaalsContact O-CA 3.24Å; R68-Y76 WeakPolarHBondContact O-CA 3.28Å; R68-R77 PolarHBondContact N-O 3.06Å; R68-R77 PolarHBondContact O-N 3.08Å; R68-V79 HydrophobicContact CB-CG2 4.29Å; R68-V79 HydrophobicContact CG-CG2 3.83Å
69	F	98.7	Very high	97.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.3	162.1	177.1	-84.9	0	0	0	108.8	F55 L56 E57 Y76 L97 K100 R101	F55-F69 AromaticContact CD1-CD1 3.89Å; F55-F69 HydrophobicContact CD1-CD1 3.89Å; F55-F69 AromaticContact CD1-CE1 3.99Å; F55-F69 HydrophobicContact CD1-CE1 3.99Å; F55-F69 HydrophobicContact CE1-CD1 4.02Å; F55-F69 HydrophobicContact CE1-CE1 4.4Å; L56-F69 CarbonylContact C-O 3.6Å; L56-F69 WeakPolarHBondContact CA-O 3.2Å; E57-F69 HydrophobicContact CB-CB 4.22Å; E57-F69 PolarHBondContact N-O 3.27Å; E57-F69 PolarHBondContact O-N 3.25Å; F69-Y76 HydrophobicContact CB-CD1 3.67Å; F69-Y76 HydrophobicContact CB-CD2 4.24Å; F69-Y76 HydrophobicContact CB-CE1 3.53Å; F69-Y76 HydrophobicContact CB-CE2 4.1Å; F69-Y76 HydrophobicContact CB-CG 4.04Å; F69-Y76 AromaticContact CD2-CD2 3.91Å; F69-Y76 HydrophobicContact CD2-CD2 3.91Å; F69-Y76 AromaticContact CD2-CE2 3.93Å; F69-Y76 HydrophobicContact CD2-CE2 3.93Å; F69-Y76 HydrophobicContact CD2-CG 4.35Å; F69-Y76 HydrophobicContact CG-CE2 4.37Å; F69-L97 HydrophobicContact CD2-CD2 4.35Å; F69-L97 HydrophobicContact CE2-CD2 4.08Å; F69-K100 HydrophobicContact CD1-CB 4Å; F69-K100 HydrophobicContact CD2-CB 3.84Å; F69-K100 HydrophobicContact CD2-CG 4.45Å; F69-K100 HydrophobicContact CE1-CB 3.71Å; F69-K100 WeakPolarHBondContact CE1-O 3.33Å; F69-K100 HydrophobicContact CE2-CB 3.53Å; F69-K100 HydrophobicContact CG-CB 4.08Å; F69-K100 HydrophobicContact CZ-CB 3.47Å; F69-K100 VanDerWaalsContact CZ-CB 3.47Å; F69-R101 HydrophobicContact CZ-CG 4.04Å
70	D	98.6	Very high	97.4	Very high	18 Å²	18	56.5 Å²	56.5	10%	0.096	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.1	176.8	-176.1	-5.7	0	0	0	108.8	R54 L56 D72 V73 G74	R54-D70 IonicContact CZ-OD1 3.57Å; R54-D70 IonicContact CZ-OD2 2.9Å; R54-D70 IonicContact NE-OD1 3.61Å; R54-D70 PolarHBondContact NE-OD1 3.48Å; R54-D70 IonicContact NE-OD2 3.69Å; R54-D70 PolarHBondContact NE-OD2 3.46Å; R54-D70 IonicContact NH2-OD1 2.65Å; R54-D70 IonicContact NH2-OD2 2.68Å; R54-D70 PolarHBondContact NH2-OD2 3.12Å; L56-D70 HydrophobicContact CD1-CB 3.86Å; D70-D72 PolarHBondContact O-N 3.37Å; D70-D72 PolarHBondContact OD1-N 3.02Å; D70-D72 VanDerWaalsContact OD1-N 3.13Å; D70-V73 HydrophobicContact CB-CB 4.2Å; D70-V73 HydrophobicContact CB-CG2 3.96Å; D70-V73 CarbonylContact O-C 3.57Å; D70-V73 WeakPolarHBondContact O-CA 3.18Å; D70-V73 PolarHBondContact O-N 3.15Å; D70-G74 PolarHBondContact O-N 2.83Å
71	S	98.3	Very high	97.4	Very high	26 Å²	26	61.8 Å²	61.8	18%	0.182	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.5	-179.3	62.9	0	0	0	0	113.2	R54 F55 V73 V104	R54-S71 WeakPolarHBondContact CA-OG 3.33Å; F55-S71 PolarHBondContact N-OG 2.97Å; F55-S71 WeakPolarHBondContact O-CB 3.42Å; F55-S71 PolarHBondContact O-N 3.34Å; F55-S71 PolarHBondContact O-OG 3Å; S71-V73 PolarHBondContact O-N 3.4Å; S71-V104 VanDerWaalsContact CB-CG2 3.5Å
72	D	97.9	Very high	97.4	Very high	88 Å²	88	64 Å²	64	47%	0.471	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-18.3	176.5	-73.4	6.3	0	0	0	111.5	R52 D70	R52-D72 IonicContact NH2-OD2 2.68Å; R52-D72 PolarHBondContact NH2-OD2 3.01Å; D70-D72 PolarHBondContact O-N 3.37Å; D70-D72 PolarHBondContact OD1-N 3.02Å; D70-D72 VanDerWaalsContact OD1-N 3.13Å
73	V	98.2	Very high	97.5	Very high	79 Å²	79	61.2 Å²	61.2	48%	0.479	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-38.2	176.5	-177.5	0	0	0	0	111.6	D70 S71 E75 R77	D70-V73 HydrophobicContact CB-CB 4.2Å; D70-V73 HydrophobicContact CB-CG2 3.96Å; D70-V73 CarbonylContact O-C 3.57Å; D70-V73 WeakPolarHBondContact O-CA 3.18Å; D70-V73 PolarHBondContact O-N 3.15Å; S71-V73 PolarHBondContact O-N 3.4Å; V73-E75 HydrophobicContact CG1-CG 4.04Å; V73-R77 HydrophobicContact CG1-CG 4.42Å
74	G	97.8	Very high	97.7	Very high	9 Å²	9	57.6 Å²	57.6	9%	0.093	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	12.7	175.7	0	0	0	0	0	115.7	D70 R101	D70-G74 PolarHBondContact O-N 2.83Å; G74-R101 VanDerWaalsContact O-CZ 3.31Å; G74-R101 PolarHBondContact O-NE 2.72Å; G74-R101 PolarHBondContact O-NH2 2.94Å
75	E	98.3	Very high	97.8	Very high	57 Å²	57	56.9 Å²	56.9	27%	0.266	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	165.9	176.6	62.3	179.6	-164.4	0	0	111.8	V73 R77 L97	V73-E75 HydrophobicContact CG1-CG 4.04Å; E75-R77 IonicContact OE1-CZ 3.87Å; E75-R77 IonicContact OE1-NE 3.65Å; E75-R77 PolarHBondContact OE1-NE 3.3Å; E75-R77 IonicContact OE1-NH1 3.12Å; E75-R77 IonicContact OE1-NH2 2.81Å; E75-R77 PolarHBondContact OE1-NH2 3.16Å; E75-L97 HydrophobicContact CB-CD2 4.2Å
76	Y	98.5	Very high	97.8	Very high	5 Å²	5	59 Å²	59	2%	0.02	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	139.7	174.2	-73.6	-92.2	0	0	0	111.2	E57 H59 R68 F69 W90 N91 L96 L97 K100	E57-Y76 PolarHBondContact OE1-OH 3.47Å; H59-Y76 AromaticContact NE2-CE1 3.98Å; R68-Y76 CarbonylContact O-C 3.6Å; R68-Y76 VanDerWaalsContact O-CA 3.24Å; R68-Y76 WeakPolarHBondContact O-CA 3.28Å; F69-Y76 HydrophobicContact CB-CD1 3.67Å; F69-Y76 HydrophobicContact CB-CD2 4.24Å; F69-Y76 HydrophobicContact CB-CE1 3.53Å; F69-Y76 HydrophobicContact CB-CE2 4.1Å; F69-Y76 HydrophobicContact CB-CG 4.04Å; F69-Y76 AromaticContact CD2-CD2 3.91Å; F69-Y76 HydrophobicContact CD2-CD2 3.91Å; F69-Y76 AromaticContact CD2-CE2 3.93Å; F69-Y76 HydrophobicContact CD2-CE2 3.93Å; F69-Y76 HydrophobicContact CD2-CG 4.35Å; F69-Y76 HydrophobicContact CG-CE2 4.37Å; Y76-W90 HydrophobicContact CD1-CD2 4.37Å; Y76-W90 AromaticContact CD1-CE3 3.3Å; Y76-W90 HydrophobicContact CD1-CE3 3.3Å; Y76-W90 AromaticContact CD1-CZ3 3.7Å; Y76-W90 HydrophobicContact CD1-CZ3 3.7Å; Y76-W90 HydrophobicContact CD2-CB 3.69Å; Y76-W90 HydrophobicContact CD2-CE3 4.2Å; Y76-W90 HydrophobicContact CD2-CG 4.49Å; Y76-W90 HydrophobicContact CE1-CD2 4.34Å; Y76-W90 AromaticContact CE1-CE3 3.49Å; Y76-W90 HydrophobicContact CE1-CE3 3.49Å; Y76-W90 VanDerWaalsContact CE1-CE3 3.49Å; Y76-W90 AromaticContact CE1-CZ3 3.73Å; Y76-W90 HydrophobicContact CE1-CZ3 3.73Å; Y76-W90 HydrophobicContact CE2-CB 3.99Å; Y76-W90 HydrophobicContact CE2-CE3 4.35Å; Y76-W90 HydrophobicContact CG-CB 4.15Å; Y76-W90 AromaticContact CG-CE3 3.69Å; Y76-W90 HydrophobicContact CG-CE3 3.69Å; Y76-W90 HydrophobicContact CG-CZ3 4.49Å; Y76-N91 WeakPolarHBondContact CB-OD1 3.15Å; Y76-N91 PolarHBondContact N-OD1 3.11Å; Y76-N91 PolarHBondContact O-ND2 2.87Å; Y76-L96 HydrophobicContact CE2-CD2 4.34Å; Y76-L97 HydrophobicContact CD2-CD2 4.07Å; Y76-K100 HydrophobicContact CE2-CG 4.1Å; Y76-K100 WeakPolarHBondContact OH-CD 3.26Å; Y76-K100 WeakPolarHBondContact OH-CE 3.26Å
77	R	98.5	Very high	97.9	Very high	140 Å²	140	59 Å²	59	53%	0.528	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.3	174.2	-67.4	-65.4	-175.2	151.2	-0.1	109.7	A67 R68 V73 E75 V79	A67-R77 WeakPolarHBondContact CA-O 3.17Å; R68-R77 PolarHBondContact N-O 3.06Å; R68-R77 PolarHBondContact O-N 3.08Å; V73-R77 HydrophobicContact CG1-CG 4.42Å; E75-R77 IonicContact OE1-CZ 3.87Å; E75-R77 IonicContact OE1-NE 3.65Å; E75-R77 PolarHBondContact OE1-NE 3.3Å; E75-R77 IonicContact OE1-NH1 3.12Å; E75-R77 IonicContact OE1-NH2 2.81Å; E75-R77 PolarHBondContact OE1-NH2 3.16Å; R77-V79 PolarHBondContact O-N 3.37Å
78	A	97.9	Very high	97.9	Very high	45 Å²	45	64.8 Å²	64.8	37%	0.372	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	124.9	169.3	0	0	0	0	0	109.3	R84 A87	A78-R84 HydrophobicContact CB-CB 4.18Å; A78-A87 HydrophobicContact CB-CB 4.24Å
79	V	97.8	Very high	97.9	Very high	58 Å²	58	68 Å²	68	35%	0.352	33%	0.334	S	S	.	.	S	Bend	trans	-85.5	-31.6	170.9	-177.6	0	0	0	0	109.5	E65 N66 R68 R77	E65-V79 HydrophobicContact CB-CG1 4.49Å; E65-V79 HydrophobicContact CG-CB 4.44Å; E65-V79 HydrophobicContact CG-CG2 4.1Å; N66-V79 PolarHBondContact O-N 2.99Å; R68-V79 HydrophobicContact CB-CG2 4.29Å; R68-V79 HydrophobicContact CG-CG2 3.83Å; R77-V79 PolarHBondContact O-N 3.37Å
80	R	96.7	Very high	97.9	Very high	138 Å²	138	70.2 Å²	70.2	52%	0.521	34%	0.342	S	S	.	.	S	Bend	trans	-135.4	162.1	177.9	-61	-66.9	-167.5	-173.3	1.3	110.4	E64 E65 N66 L82 G83	E64-R80 HydrophobicContact CG-CG 4Å; E64-R80 WeakPolarHBondContact OE1-CD 3.12Å; E64-R80 VanDerWaalsContact OE1-CG 3.26Å; E64-R80 WeakPolarHBondContact OE1-CG 3.41Å; E64-R80 IonicContact OE1-CZ 3.8Å; E64-R80 IonicContact OE1-NE 3.91Å; E64-R80 PolarHBondContact OE1-NE 3.27Å; E64-R80 IonicContact OE1-NH2 3.41Å; E65-R80 WeakPolarHBondContact O-CG 3.34Å; N66-R80 PolarHBondContact O-N 3.47Å; N66-R80 VanDerWaalsContact O-N 3.09Å; R80-L82 PolarHBondContact O-N 2.93Å; R80-G83 PolarHBondContact O-N 3.1Å
81	E	96.6	Very high	97.8	Very high	130 Å²	130	71.4 Å²	71.4	61%	0.607	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-56.4	-34.1	178.3	-67.4	-56.9	143.5	0	0	112.9	G83 R84	E81-G83 PolarHBondContact O-N 3.13Å; E81-R84 VanDerWaalsContact CD-NH2 3.26Å; E81-R84 WeakPolarHBondContact O-CB 3.45Å; E81-R84 PolarHBondContact O-N 3.43Å; E81-R84 VanDerWaalsContact O-N 3.15Å; E81-R84 IonicContact OE1-CZ 3.38Å; E81-R84 IonicContact OE1-NH2 3.73Å; E81-R84 PolarHBondContact OE1-NH2 2.98Å; E81-R84 IonicContact OE2-CZ 3.33Å; E81-R84 VanDerWaalsContact OE2-CZ 3.22Å; E81-R84 IonicContact OE2-NE 3.12Å; E81-R84 PolarHBondContact OE2-NE 2.98Å; E81-R84 IonicContact OE2-NH2 2.82Å; E81-R84 PolarHBondContact OE2-NH2 2.91Å
82	L	95.9	Very high	97.8	Very high	107 Å²	107	74.1 Å²	74.1	56%	0.56	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-57.8	-36.3	177	-176.3	64.4	0	0	0	112.7	H61 N66 R80 P85	H61-L82 HydrophobicContact CB-CD2 3.94Å; N66-L82 HydrophobicContact CB-CB 4.29Å; N66-L82 HydrophobicContact CB-CD2 4.4Å; N66-L82 HydrophobicContact CB-CG 4.48Å; R80-L82 PolarHBondContact O-N 2.93Å; L82-P85 WeakPolarHBondContact O-CD 3.02Å
83	G	97.4	Very high	97.9	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-90.9	1.7	-178.8	0	0	0	0	0	114.3	N66 R80 E81 D86 A87	N66-G83 WeakPolarHBondContact O-CA 3.48Å; R80-G83 PolarHBondContact O-N 3.1Å; E81-G83 PolarHBondContact O-N 3.13Å; G83-D86 PolarHBondContact O-N 2.89Å; G83-A87 WeakPolarHBondContact O-CB 3.31Å; G83-A87 PolarHBondContact O-N 3.03Å
84	R	98.3	Very high	97.8	Very high	116 Å²	116	77.4 Å²	77.4	44%	0.438	37%	0.372	S	S	.	.	H	α-helix	trans	-59.1	-47.9	176.5	-176.6	-169.4	-65.6	-106.6	0.2	112.5	A78 E81 D86 A87 E88	A78-R84 HydrophobicContact CB-CB 4.18Å; E81-R84 VanDerWaalsContact CD-NH2 3.26Å; E81-R84 WeakPolarHBondContact O-CB 3.45Å; E81-R84 PolarHBondContact O-N 3.43Å; E81-R84 VanDerWaalsContact O-N 3.15Å; E81-R84 IonicContact OE1-CZ 3.38Å; E81-R84 IonicContact OE1-NH2 3.73Å; E81-R84 PolarHBondContact OE1-NH2 2.98Å; E81-R84 IonicContact OE2-CZ 3.33Å; E81-R84 VanDerWaalsContact OE2-CZ 3.22Å; E81-R84 IonicContact OE2-NE 3.12Å; E81-R84 PolarHBondContact OE2-NE 2.98Å; E81-R84 IonicContact OE2-NH2 2.82Å; E81-R84 PolarHBondContact OE2-NH2 2.91Å; R84-D86 VanDerWaalsContact C-N 3.3Å; R84-D86 PolarHBondContact O-N 2.9Å; R84-A87 PolarHBondContact O-N 3.29Å; R84-E88 WeakPolarHBondContact CG-OE1 3.43Å; R84-E88 WeakPolarHBondContact O-CG 3.36Å; R84-E88 PolarHBondContact O-N 3.35Å
85	P	98.2	Very high	97.8	Very high	80 Å²	80	83.9 Å²	83.9	52%	0.519	41%	0.405	S	S	.	.	H	α-helix	trans	-60.2	-41	178.7	-21.9	34.7	0	0	0	112.2	L82 Y89	L82-P85 WeakPolarHBondContact O-CD 3.02Å; P85-Y89 VanDerWaalsContact O-CB 3.25Å; P85-Y89 WeakPolarHBondContact O-CB 3.42Å; P85-Y89 PolarHBondContact O-N 3.47Å
86	D	97.4	Very high	97.8	Very high	62 Å²	62	83.3 Å²	83.3	33%	0.332	40%	0.403	S	S	.	.	H	α-helix	trans	-67	-46.3	-179.9	-63.6	-36	0	0	0	111.6	G83 R84 E88 Y89 W90	G83-D86 PolarHBondContact O-N 2.89Å; R84-D86 VanDerWaalsContact C-N 3.3Å; R84-D86 PolarHBondContact O-N 2.9Å; D86-E88 PolarHBondContact O-N 2.9Å; D86-Y89 PolarHBondContact O-N 2.68Å; D86-W90 HydrophobicContact CB-CD2 4.17Å; D86-W90 HydrophobicContact CB-CE3 4Å; D86-W90 HydrophobicContact CB-CH2 3.77Å; D86-W90 HydrophobicContact CB-CZ2 3.9Å; D86-W90 HydrophobicContact CB-CZ3 3.82Å; D86-W90 WeakPolarHBondContact O-CB 3Å; D86-W90 VanDerWaalsContact O-CD2 3.29Å; D86-W90 PolarHBondContact O-N 3.34Å
87	A	98.2	Very high	97.7	Very high	6 Å²	6	83.7 Å²	83.7	5%	0.05	41%	0.406	C	S	.	.	H	α-helix	trans	-60.3	-44.8	177.7	0	0	0	0	0	111.9	A78 G83 R84 N91	A78-A87 HydrophobicContact CB-CB 4.24Å; G83-A87 WeakPolarHBondContact O-CB 3.31Å; G83-A87 PolarHBondContact O-N 3.03Å; R84-A87 PolarHBondContact O-N 3.29Å; A87-N91 WeakPolarHBondContact O-CB 3.24Å; A87-N91 PolarHBondContact O-N 3.07Å; A87-N91 PolarHBondContact O-ND2 3.1Å; A87-N91 VanDerWaalsContact O-ND2 3.11Å
88	E	98	Very high	97.7	Very high	123 Å²	123	82.4 Å²	82.4	58%	0.575	41%	0.406	S	S	*	.	H	α-helix	trans	-63.2	-44.8	176.4	-71.3	173.8	-171.4	0	0	111.7	R84 D86 S92	R84-E88 WeakPolarHBondContact CG-OE1 3.43Å; R84-E88 WeakPolarHBondContact O-CG 3.36Å; R84-E88 PolarHBondContact O-N 3.35Å; D86-E88 PolarHBondContact O-N 2.9Å; E88-S92 PolarHBondContact O-N 2.73Å
89	Y	98.1	Very high	97.7	Very high	140 Å²	140	83.9 Å²	83.9	55%	0.549	41%	0.408	S	S	.	.	H	α-helix	trans	-66.4	-46	-179.4	177.4	-114.5	0	0	0	112.4	P85 D86 S92 Q93	P85-Y89 VanDerWaalsContact O-CB 3.25Å; P85-Y89 WeakPolarHBondContact O-CB 3.42Å; P85-Y89 PolarHBondContact O-N 3.47Å; D86-Y89 PolarHBondContact O-N 2.68Å; Y89-S92 PolarHBondContact O-N 3.29Å; Y89-S92 PolarHBondContact O-OG 3.26Å; Y89-Q93 VanDerWaalsContact CZ-NE2 3.35Å; Y89-Q93 PolarHBondContact O-NE2 3.5Å
90	W	98.3	Very high	97.7	Very high	47 Å²	47	82.7 Å²	82.7	18%	0.178	40%	0.397	C	S	.	.	H	α-helix	trans	-67.9	-37.8	179.1	-64.2	-27.8	0	0	0	111.9	H59 A67 Y76 D86 S92 Q93 L96	H59-W90 AromaticContact CD2-CH2 3.82Å; H59-W90 AromaticContact CD2-CZ3 3.76Å; H59-W90 AromaticContact CE1-CH2 3.7Å; H59-W90 AromaticContact CG-CH2 3.83Å; H59-W90 AromaticContact ND1-CH2 3.78Å; H59-W90 AromaticContact NE2-CH2 3.74Å; H59-W90 AromaticContact NE2-CZ3 3.84Å; A67-W90 HydrophobicContact CB-CZ3 4.04Å; Y76-W90 HydrophobicContact CD1-CD2 4.37Å; Y76-W90 AromaticContact CD1-CE3 3.3Å; Y76-W90 HydrophobicContact CD1-CE3 3.3Å; Y76-W90 AromaticContact CD1-CZ3 3.7Å; Y76-W90 HydrophobicContact CD1-CZ3 3.7Å; Y76-W90 HydrophobicContact CD2-CB 3.69Å; Y76-W90 HydrophobicContact CD2-CE3 4.2Å; Y76-W90 HydrophobicContact CD2-CG 4.49Å; Y76-W90 HydrophobicContact CE1-CD2 4.34Å; Y76-W90 AromaticContact CE1-CE3 3.49Å; Y76-W90 HydrophobicContact CE1-CE3 3.49Å; Y76-W90 VanDerWaalsContact CE1-CE3 3.49Å; Y76-W90 AromaticContact CE1-CZ3 3.73Å; Y76-W90 HydrophobicContact CE1-CZ3 3.73Å; Y76-W90 HydrophobicContact CE2-CB 3.99Å; Y76-W90 HydrophobicContact CE2-CE3 4.35Å; Y76-W90 HydrophobicContact CG-CB 4.15Å; Y76-W90 AromaticContact CG-CE3 3.69Å; Y76-W90 HydrophobicContact CG-CE3 3.69Å; Y76-W90 HydrophobicContact CG-CZ3 4.49Å; D86-W90 HydrophobicContact CB-CD2 4.17Å; D86-W90 HydrophobicContact CB-CE3 4Å; D86-W90 HydrophobicContact CB-CH2 3.77Å; D86-W90 HydrophobicContact CB-CZ2 3.9Å; D86-W90 HydrophobicContact CB-CZ3 3.82Å; D86-W90 WeakPolarHBondContact O-CB 3Å; D86-W90 VanDerWaalsContact O-CD2 3.29Å; D86-W90 PolarHBondContact O-N 3.34Å; W90-S92 PolarHBondContact O-N 3.11Å; W90-Q93 PolarHBondContact O-N 2.8Å; W90-Q93 VanDerWaalsContact O-N 3.11Å; W90-L96 HydrophobicContact CB-CD2 3.71Å; W90-L96 HydrophobicContact CG-CD2 3.92Å
91	N	98.5	Very high	97.7	Very high	43 Å²	43	81.2 Å²	81.2	23%	0.23	39%	0.392	C	S	.	.	H	α-helix	trans	-67.9	-22.6	176.2	-70.7	-18.3	0	0	0	113.3	Y76 A87 Q93 L97	Y76-N91 WeakPolarHBondContact CB-OD1 3.15Å; Y76-N91 PolarHBondContact N-OD1 3.11Å; Y76-N91 PolarHBondContact O-ND2 2.87Å; A87-N91 WeakPolarHBondContact O-CB 3.24Å; A87-N91 PolarHBondContact O-N 3.07Å; A87-N91 PolarHBondContact O-ND2 3.1Å; A87-N91 VanDerWaalsContact O-ND2 3.11Å; N91-Q93 PolarHBondContact O-N 2.99Å; N91-L97 HydrophobicContact CB-CD1 4.43Å; N91-L97 WeakPolarHBondContact O-CD1 3.34Å
92	S	98.1	Very high	97.8	Very high	83 Å²	83	76 Å²	76	58%	0.58	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.6	174.4	79.8	0	0	0	0	113.1	E88 Y89 W90	E88-S92 PolarHBondContact O-N 2.73Å; Y89-S92 PolarHBondContact O-N 3.29Å; Y89-S92 PolarHBondContact O-OG 3.26Å; W90-S92 PolarHBondContact O-N 3.11Å
93	Q	98.3	Very high	97.9	Very high	70 Å²	70	72.4 Å²	72.4	33%	0.327	35%	0.353	S	S	.	.			trans	-95.7	98.6	-178.5	-65.1	177	73.8	0	0	111	Y89 W90 N91 D95 L96 L97	Y89-Q93 VanDerWaalsContact CZ-NE2 3.35Å; Y89-Q93 PolarHBondContact O-NE2 3.5Å; W90-Q93 PolarHBondContact O-N 2.8Å; W90-Q93 VanDerWaalsContact O-N 3.11Å; N91-Q93 PolarHBondContact O-N 2.99Å; Q93-D95 PolarHBondContact O-N 3.25Å; Q93-L96 HydrophobicContact CB-CB 3.87Å; Q93-L96 HydrophobicContact CB-CD2 4.46Å; Q93-L96 WeakPolarHBondContact O-CB 3.08Å; Q93-L96 PolarHBondContact O-N 2.87Å; Q93-L97 PolarHBondContact O-N 3.36Å; Q93-L97 VanDerWaalsContact O-N 3.14Å
94	K	96.9	Very high	98	Very high	166 Å²	166	73.2 Å²	73.2	72%	0.722	36%	0.358	S	S	*	.	H	α-helix	trans	-59.2	-44.1	-177.2	-68.8	-173.6	176.9	-177.7	0	113.4	L96 L97 E98	K94-L96 VanDerWaalsContact C-N 3.26Å; K94-L96 PolarHBondContact O-N 3.26Å; K94-L97 PolarHBondContact O-N 3.33Å; K94-E98 WeakPolarHBondContact O-CG 3.35Å; K94-E98 PolarHBondContact O-N 2.98Å
95	D	97.8	Very high	98	Very high	145 Å²	145	71.8 Å²	71.8	78%	0.775	36%	0.359	S	S	*	.	H	α-helix	trans	-63.1	-36.9	-178.1	-58	-18.3	0	0	0	111.3	Q93 D99	Q93-D95 PolarHBondContact O-N 3.25Å; D95-D99 WeakPolarHBondContact O-CB 3.26Å; D95-D99 PolarHBondContact O-N 2.9Å
96	L	97.8	Very high	97.9	Very high	45 Å²	45	73.3 Å²	73.3	24%	0.236	36%	0.363	C	S	.	.	H	α-helix	trans	-65.2	-46.8	174.8	179.9	67.1	0	0	0	111.3	Y76 W90 Q93 K94 D99 K100	Y76-L96 HydrophobicContact CE2-CD2 4.34Å; W90-L96 HydrophobicContact CB-CD2 3.71Å; W90-L96 HydrophobicContact CG-CD2 3.92Å; Q93-L96 HydrophobicContact CB-CB 3.87Å; Q93-L96 HydrophobicContact CB-CD2 4.46Å; Q93-L96 WeakPolarHBondContact O-CB 3.08Å; Q93-L96 PolarHBondContact O-N 2.87Å; K94-L96 VanDerWaalsContact C-N 3.26Å; K94-L96 PolarHBondContact O-N 3.26Å; L96-D99 PolarHBondContact O-N 2.66Å; L96-K100 HydrophobicContact CD1-CG 4.4Å; L96-K100 VanDerWaalsContact O-CG 3.25Å; L96-K100 WeakPolarHBondContact O-CG 3.46Å; L96-K100 PolarHBondContact O-N 2.81Å
97	L	97.6	Very high	98	Very high	14 Å²	14	74.8 Å²	74.8	7%	0.073	37%	0.365	C	S	.	.	H	α-helix	trans	-63.5	-42.4	179.5	-77.5	-176.2	0	0	0	112.7	F69 E75 Y76 N91 Q93 K94 K100 R101	F69-L97 HydrophobicContact CD2-CD2 4.35Å; F69-L97 HydrophobicContact CE2-CD2 4.08Å; E75-L97 HydrophobicContact CB-CD2 4.2Å; Y76-L97 HydrophobicContact CD2-CD2 4.07Å; N91-L97 HydrophobicContact CB-CD1 4.43Å; N91-L97 WeakPolarHBondContact O-CD1 3.34Å; Q93-L97 PolarHBondContact O-N 3.36Å; Q93-L97 VanDerWaalsContact O-N 3.14Å; K94-L97 PolarHBondContact O-N 3.33Å; L97-K100 PolarHBondContact O-N 2.84Å; L97-R101 WeakPolarHBondContact O-CD 3.4Å; L97-R101 VanDerWaalsContact O-CG 3.22Å; L97-R101 WeakPolarHBondContact O-CG 3.48Å; L97-R101 PolarHBondContact O-N 3.45Å
98	E	97.5	Very high	98	Very high	112 Å²	112	74.5 Å²	74.5	52%	0.523	36%	0.362	S	S	.	.	H	α-helix	trans	-64.8	-41.1	176.8	-69	-55.7	131.6	0	0	111.6	K94 K100 R101 G102	K94-E98 WeakPolarHBondContact O-CG 3.35Å; K94-E98 PolarHBondContact O-N 2.98Å; E98-K100 PolarHBondContact O-N 2.81Å; E98-R101 PolarHBondContact O-N 2.81Å; E98-R101 IonicContact OE1-CZ 3.84Å; E98-R101 IonicContact OE1-NH1 3.75Å; E98-R101 PolarHBondContact OE1-NH1 3.5Å; E98-G102 PolarHBondContact O-N 3.46Å
99	D	97.8	Very high	98	Very high	77 Å²	77	72.1 Å²	72.1	41%	0.412	35%	0.348	S	S	.	.	H	α-helix	trans	-58.5	-48.5	172.6	179.8	75.3	0	0	0	111.3	D95 L96 R101 G102 Q103	D95-D99 WeakPolarHBondContact O-CB 3.26Å; D95-D99 PolarHBondContact O-N 2.9Å; L96-D99 PolarHBondContact O-N 2.66Å; D99-R101 VanDerWaalsContact C-N 3.34Å; D99-R101 PolarHBondContact O-N 3.36Å; D99-G102 CarbonylContact O-C 3.52Å; D99-G102 WeakPolarHBondContact O-CA 3.42Å; D99-G102 PolarHBondContact O-N 2.83Å; D99-Q103 WeakPolarHBondContact O-CG 3.49Å; D99-Q103 PolarHBondContact O-N 2.83Å; D99-Q103 VanDerWaalsContact O-N 3.15Å; D99-Q103 PolarHBondContact OD1-NE2 3.11Å; D99-Q103 PolarHBondContact OD2-NE2 3.04Å
100	K	97.9	Very high	98	Very high	32 Å²	32	70.9 Å²	70.9	14%	0.139	35%	0.347	C	S	.	.	H	α-helix	trans	-63.3	-36.8	180	-64.8	-65.8	167.5	-177.9	0	113.1	F55 E57 F69 Y76 L96 L97 E98 G102 Q103	F55-K100 HydrophobicContact CE1-CD 4.26Å; E57-K100 IonicContact OE1-NZ 3.81Å; E57-K100 IonicContact OE2-NZ 3.22Å; E57-K100 PolarHBondContact OE2-NZ 2.97Å; F69-K100 HydrophobicContact CD1-CB 4Å; F69-K100 HydrophobicContact CD2-CB 3.84Å; F69-K100 HydrophobicContact CD2-CG 4.45Å; F69-K100 HydrophobicContact CE1-CB 3.71Å; F69-K100 WeakPolarHBondContact CE1-O 3.33Å; F69-K100 HydrophobicContact CE2-CB 3.53Å; F69-K100 HydrophobicContact CG-CB 4.08Å; F69-K100 HydrophobicContact CZ-CB 3.47Å; F69-K100 VanDerWaalsContact CZ-CB 3.47Å; Y76-K100 HydrophobicContact CE2-CG 4.1Å; Y76-K100 WeakPolarHBondContact OH-CD 3.26Å; Y76-K100 WeakPolarHBondContact OH-CE 3.26Å; L96-K100 HydrophobicContact CD1-CG 4.4Å; L96-K100 VanDerWaalsContact O-CG 3.25Å; L96-K100 WeakPolarHBondContact O-CG 3.46Å; L96-K100 PolarHBondContact O-N 2.81Å; L97-K100 PolarHBondContact O-N 2.84Å; E98-K100 PolarHBondContact O-N 2.81Å; K100-G102 VanDerWaalsContact C-N 3.3Å; K100-G102 PolarHBondContact O-N 2.8Å; K100-Q103 HydrophobicContact CD-CG 4.42Å; K100-Q103 WeakPolarHBondContact O-CB 3.36Å; K100-Q103 PolarHBondContact O-N 2.84Å
101	R	97.9	Very high	98	Very high	107 Å²	107	71.8 Å²	71.8	40%	0.404	36%	0.355	S	S	.	.	H	α-helix	trans	-63.2	-37.7	171.8	-71	164.9	-175	178	-1.4	111.4	F69 G74 L97 E98 D99 Q103	F69-R101 HydrophobicContact CZ-CG 4.04Å; G74-R101 VanDerWaalsContact O-CZ 3.31Å; G74-R101 PolarHBondContact O-NE 2.72Å; G74-R101 PolarHBondContact O-NH2 2.94Å; L97-R101 WeakPolarHBondContact O-CD 3.4Å; L97-R101 VanDerWaalsContact O-CG 3.22Å; L97-R101 WeakPolarHBondContact O-CG 3.48Å; L97-R101 PolarHBondContact O-N 3.45Å; E98-R101 PolarHBondContact O-N 2.81Å; E98-R101 IonicContact OE1-CZ 3.84Å; E98-R101 IonicContact OE1-NH1 3.75Å; E98-R101 PolarHBondContact OE1-NH1 3.5Å; D99-R101 VanDerWaalsContact C-N 3.34Å; D99-R101 PolarHBondContact O-N 3.36Å; R101-Q103 VanDerWaalsContact C-N 3.32Å; R101-Q103 PolarHBondContact O-N 3.21Å
102	G	97.9	Very high	98	Very high	20 Å²	20	71.4 Å²	71.4	21%	0.206	35%	0.351	C	S	.	.	H	α-helix	trans	-71.9	-16	177	0	0	0	0	0	115.4	E98 D99 K100 V104 D105 N106	E98-G102 PolarHBondContact O-N 3.46Å; D99-G102 CarbonylContact O-C 3.52Å; D99-G102 WeakPolarHBondContact O-CA 3.42Å; D99-G102 PolarHBondContact O-N 2.83Å; K100-G102 VanDerWaalsContact C-N 3.3Å; K100-G102 PolarHBondContact O-N 2.8Å; G102-V104 PolarHBondContact O-N 3.33Å; G102-V104 VanDerWaalsContact O-N 3.16Å; G102-D105 PolarHBondContact O-N 3.01Å; G102-D105 VanDerWaalsContact O-N 3.12Å; G102-N106 WeakPolarHBondContact O-CB 3.4Å; G102-N106 PolarHBondContact O-N 2.83Å
103	Q	98.3	Very high	98	Very high	32 Å²	32	69.7 Å²	69.7	15%	0.15	35%	0.346	C	S	.	.	H	α-helix	trans	-62.9	-22.7	-177.8	-65.1	-62.7	-32.5	0	0	113.5	F55 D99 K100 R101 D105 Y107 C108	F55-Q103 HydrophobicContact CD1-CB 3.67Å; F55-Q103 HydrophobicContact CD1-CG 4.33Å; F55-Q103 HydrophobicContact CD2-CB 4Å; F55-Q103 HydrophobicContact CE1-CB 3.73Å; F55-Q103 HydrophobicContact CE1-CG 3.9Å; F55-Q103 HydrophobicContact CE2-CB 4.03Å; F55-Q103 HydrophobicContact CG-CB 3.8Å; F55-Q103 HydrophobicContact CZ-CB 3.9Å; F55-Q103 HydrophobicContact CZ-CG 4Å; D99-Q103 WeakPolarHBondContact O-CG 3.49Å; D99-Q103 PolarHBondContact O-N 2.83Å; D99-Q103 VanDerWaalsContact O-N 3.15Å; D99-Q103 PolarHBondContact OD1-NE2 3.11Å; D99-Q103 PolarHBondContact OD2-NE2 3.04Å; K100-Q103 HydrophobicContact CD-CG 4.42Å; K100-Q103 WeakPolarHBondContact O-CB 3.36Å; K100-Q103 PolarHBondContact O-N 2.84Å; R101-Q103 VanDerWaalsContact C-N 3.32Å; R101-Q103 PolarHBondContact O-N 3.21Å; Q103-D105 VanDerWaalsContact C-N 3.26Å; Q103-D105 PolarHBondContact O-N 2.91Å; Q103-Y107 WeakPolarHBondContact O-CA 3.44Å; Q103-Y107 WeakPolarHBondContact O-CB 3.16Å; Q103-Y107 PolarHBondContact O-N 2.77Å; Q103-Y107 VanDerWaalsContact O-N 3.09Å; Q103-C108 PolarHBondContact O-N 2.95Å
104	V	98.4	Very high	98	Very high	17 Å²	17	70.5 Å²	70.5	10%	0.103	36%	0.356	C	S	.	.	I	π-helix	trans	-57.5	-42.5	174.2	-175.2	0	0	0	0	110.9	V53 F55 S71 G102 C108 R109	V53-V104 HydrophobicContact CB-CG1 3.73Å; V53-V104 HydrophobicContact CG1-CG1 3.85Å; F55-V104 HydrophobicContact CB-CG2 3.92Å; S71-V104 VanDerWaalsContact CB-CG2 3.5Å; G102-V104 PolarHBondContact O-N 3.33Å; G102-V104 VanDerWaalsContact O-N 3.16Å; V104-C108 VanDerWaalsContact O-CB 3.32Å; V104-C108 WeakPolarHBondContact O-CB 3.41Å; V104-R109 PolarHBondContact O-N 2.75Å
105	D	98.2	Very high	98	Very high	86 Å²	86	63 Å²	63	46%	0.46	33%	0.326	S	S	.	.	I	π-helix	trans	-89.6	-54.3	179.1	-73.1	-56.5	0	0	0	111.8	G102 Q103 Y107 R109 H110	G102-D105 PolarHBondContact O-N 3.01Å; G102-D105 VanDerWaalsContact O-N 3.12Å; Q103-D105 VanDerWaalsContact C-N 3.26Å; Q103-D105 PolarHBondContact O-N 2.91Å; D105-Y107 VanDerWaalsContact C-N 3.29Å; D105-Y107 PolarHBondContact O-N 3Å; D105-R109 WeakPolarHBondContact OD1-CD 3.36Å; D105-R109 IonicContact OD1-CZ 2.89Å; D105-R109 IonicContact OD1-NE 3.09Å; D105-R109 IonicContact OD1-NH1 2.82Å; D105-R109 PolarHBondContact OD1-NH1 2.84Å; D105-R109 IonicContact OD2-NH1 2.78Å; D105-H110 PolarHBondContact O-N 2.88Å; D105-H110 VanDerWaalsContact O-N 3.11Å
106	N	97.6	Very high	98	Very high	113 Å²	113	59.6 Å²	59.6	60%	0.604	31%	0.305	S	S	*	.	I	π-helix	trans	-68.8	-28.6	-168.8	-66	-20.6	0	0	0	113	G102 H110	G102-N106 WeakPolarHBondContact O-CB 3.4Å; G102-N106 PolarHBondContact O-N 2.83Å; N106-H110 VanDerWaalsContact O-CB 3.24Å; N106-H110 WeakPolarHBondContact O-CB 3.45Å
107	Y	98.1	Very high	98	Very high	93 Å²	93	61.8 Å²	61.8	37%	0.365	32%	0.324	S	S	.	.	I	π-helix	trans	-111.4	-57.9	179.5	179.7	-101	0	0	0	111.4	C44 F55 Q103 D105 N111	C44-Y107 VanDerWaalsContact SG-CD1 3.53Å; F55-Y107 HydrophobicContact CD2-CD1 4.39Å; F55-Y107 HydrophobicContact CE2-CD1 4.14Å; F55-Y107 HydrophobicContact CE2-CE1 4.47Å; Q103-Y107 WeakPolarHBondContact O-CA 3.44Å; Q103-Y107 WeakPolarHBondContact O-CB 3.16Å; Q103-Y107 PolarHBondContact O-N 2.77Å; Q103-Y107 VanDerWaalsContact O-N 3.09Å; D105-Y107 VanDerWaalsContact C-N 3.29Å; D105-Y107 PolarHBondContact O-N 3Å; Y107-N111 WeakPolarHBondContact CD2-ND2 3.45Å; Y107-N111 WeakPolarHBondContact CE2-ND2 3.48Å; Y107-N111 WeakPolarHBondContact O-CB 3.26Å; Y107-N111 PolarHBondContact O-N 3.41Å; Y107-N111 PolarHBondContact O-ND2 3.05Å
108	C	98.6	Very high	97.9	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.346	C	S	.	.	I	π-helix	trans	-68.7	-57.8	-172.7	-62.3	0	0	0	0	113.1	C44 F46 V53 Q103 V104 H110 N111 Y112	C44-C108 HydrophobicContact CB-CB 3.6Å; C44-C108 WeakPolarHBondContact CB-SG 3.47Å; C44-C108 WeakPolarHBondContact SG-CA 3.17Å; C44-C108 WeakPolarHBondContact SG-CB 3.39Å; C44-C108 CovalentContact SG-SG 2.03Å; C44-C108 PolarHBondContact SG-SG 3.03Å; F46-C108 HydrophobicContact CE1-CB 4.19Å; F46-C108 HydrophobicContact CZ-CB 4.13Å; F46-C108 WeakPolarHBondContact CZ-O 3.35Å; V53-C108 HydrophobicContact CG1-CB 3.5Å; V53-C108 VanDerWaalsContact CG1-CB 3.5Å; Q103-C108 PolarHBondContact O-N 2.95Å; V104-C108 VanDerWaalsContact O-CB 3.32Å; V104-C108 WeakPolarHBondContact O-CB 3.41Å; C108-H110 PolarHBondContact O-N 2.87Å; C108-N111 PolarHBondContact O-N 2.87Å; C108-Y112 WeakPolarHBondContact O-CB 3.5Å; C108-Y112 PolarHBondContact O-N 2.02Å
109	R	98.6	Very high	97.9	Very high	73 Å²	73	63.4 Å²	63.4	28%	0.275	33%	0.332	S	S	.	.	I	π-helix	trans	-64.8	-40.4	179.8	-70.6	-168.3	-178.8	94.3	1.7	112.1	T50 E51 V53 V104 D105 Y112 G113	T50-R109 HydrophobicContact CG2-CG 4.4Å; T50-R109 PolarHBondContact O-NE 3.02Å; T50-R109 PolarHBondContact O-NH2 3.35Å; E51-R109 PolarHBondContact O-NH2 3.23Å; V53-R109 HydrophobicContact CG2-CG 3.92Å; V104-R109 PolarHBondContact O-N 2.75Å; D105-R109 WeakPolarHBondContact OD1-CD 3.36Å; D105-R109 IonicContact OD1-CZ 2.89Å; D105-R109 IonicContact OD1-NE 3.09Å; D105-R109 IonicContact OD1-NH1 2.82Å; D105-R109 PolarHBondContact OD1-NH1 2.84Å; D105-R109 IonicContact OD2-NH1 2.78Å; R109-Y112 PolarHBondContact O-N 3.16Å; R109-G113 PolarHBondContact O-N 2.95Å
110	H	98.1	Very high	97.9	Very high	113 Å²	113	63 Å²	63	52%	0.523	33%	0.332	S	S	.	.	H	α-helix	trans	-54.9	-55.2	174.5	179.5	74.9	0	0	0	111.9	D105 N106 C108 Y112 G113 V114	D105-H110 PolarHBondContact O-N 2.88Å; D105-H110 VanDerWaalsContact O-N 3.11Å; N106-H110 VanDerWaalsContact O-CB 3.24Å; N106-H110 WeakPolarHBondContact O-CB 3.45Å; C108-H110 PolarHBondContact O-N 2.87Å; H110-Y112 VanDerWaalsContact C-N 3.35Å; H110-Y112 PolarHBondContact O-N 2.88Å; H110-G113 PolarHBondContact O-N 2.93Å; H110-V114 WeakPolarHBondContact O-CG2 3.21Å; H110-V114 PolarHBondContact O-N 2.71Å
111	N	98.4	Very high	97.8	Very high	66 Å²	66	66 Å²	66	35%	0.353	35%	0.347	S	S	.	.	H	α-helix	trans	-69	-32.5	-177.3	-71.8	-35.8	0	0	0	112.9	Y107 C108 G113 V114 G115	Y107-N111 WeakPolarHBondContact CD2-ND2 3.45Å; Y107-N111 WeakPolarHBondContact CE2-ND2 3.48Å; Y107-N111 WeakPolarHBondContact O-CB 3.26Å; Y107-N111 PolarHBondContact O-N 3.41Å; Y107-N111 PolarHBondContact O-ND2 3.05Å; C108-N111 PolarHBondContact O-N 2.87Å; N111-G113 VanDerWaalsContact C-N 3.34Å; N111-V114 PolarHBondContact O-N 2.85Å; N111-G115 PolarHBondContact O-N 2.95Å
112	Y	98.4	Very high	97.8	Very high	35 Å²	35	65.1 Å²	65.1	14%	0.137	34%	0.344	C	S	.	.	H	α-helix	trans	-56.7	-50.7	170.2	-175.6	-78.7	0	0	0	110.4	F46 T50 C108 R109 H110 V114 G115 E116 V120	F46-Y112 HydrophobicContact CB-CD2 4.48Å; F46-Y112 HydrophobicContact CB-CE2 4.41Å; F46-Y112 AromaticContact CD1-CD2 3.53Å; F46-Y112 HydrophobicContact CD1-CD2 3.53Å; F46-Y112 HydrophobicContact CD1-CE2 4.19Å; F46-Y112 HydrophobicContact CD1-CG 4.19Å; F46-Y112 HydrophobicContact CD2-CD2 4.03Å; F46-Y112 AromaticContact CE1-CD2 3.64Å; F46-Y112 HydrophobicContact CE1-CD2 3.64Å; F46-Y112 AromaticContact CE1-CG 3.96Å; F46-Y112 HydrophobicContact CE1-CG 3.96Å; F46-Y112 HydrophobicContact CE2-CD2 4.11Å; F46-Y112 AromaticContact CG-CD2 3.74Å; F46-Y112 HydrophobicContact CG-CD2 3.74Å; F46-Y112 HydrophobicContact CG-CE2 4.14Å; F46-Y112 AromaticContact CZ-CD2 3.92Å; F46-Y112 HydrophobicContact CZ-CD2 3.92Å; F46-Y112 HydrophobicContact CZ-CG 4.33Å; T50-Y112 HydrophobicContact CG2-CD1 3.35Å; T50-Y112 HydrophobicContact CG2-CD2 4.07Å; T50-Y112 HydrophobicContact CG2-CE1 3.77Å; T50-Y112 HydrophobicContact CG2-CE2 4.41Å; T50-Y112 HydrophobicContact CG2-CG 3.52Å; C108-Y112 WeakPolarHBondContact O-CB 3.5Å; C108-Y112 PolarHBondContact O-N 2.02Å; R109-Y112 PolarHBondContact O-N 3.16Å; H110-Y112 VanDerWaalsContact C-N 3.35Å; H110-Y112 PolarHBondContact O-N 2.88Å; Y112-V114 VanDerWaalsContact C-N 3.33Å; Y112-V114 PolarHBondContact O-N 2.97Å; Y112-G115 PolarHBondContact O-N 2.97Å; Y112-E116 HydrophobicContact CD1-CB 4.41Å; Y112-E116 HydrophobicContact CE1-CB 4.25Å; Y112-E116 HydrophobicContact CE1-CG 4.05Å; Y112-E116 WeakPolarHBondContact O-CA 3.42Å; Y112-E116 VanDerWaalsContact O-CB 3.29Å; Y112-E116 WeakPolarHBondContact O-CB 3.1Å; Y112-E116 PolarHBondContact O-N 2.86Å; Y112-V120 HydrophobicContact CD2-CG2 4.41Å; Y112-V120 HydrophobicContact CE2-CG2 3.74Å
113	G	97.8	Very high	97.8	Very high	47 Å²	47	71.2 Å²	71.2	49%	0.485	36%	0.36	S	S	.	.	H	α-helix	trans	-61.7	-39.1	179.4	0	0	0	0	0	113.2	R109 H110 N111	R109-G113 PolarHBondContact O-N 2.95Å; H110-G113 PolarHBondContact O-N 2.93Å; N111-G113 VanDerWaalsContact C-N 3.34Å
114	V	97.9	Very high	97.8	Very high	88 Å²	88	71.7 Å²	71.7	53%	0.533	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-43.3	175.3	173.8	0	0	0	0	111.4	H110 N111 Y112 F118	H110-V114 WeakPolarHBondContact O-CG2 3.21Å; H110-V114 PolarHBondContact O-N 2.71Å; N111-V114 PolarHBondContact O-N 2.85Å; Y112-V114 VanDerWaalsContact C-N 3.33Å; Y112-V114 PolarHBondContact O-N 2.97Å; V114-F118 WeakPolarHBondContact O-CE1 3.2Å
115	G	97.4	Very high	97.8	Very high	8 Å²	8	76 Å²	76	8%	0.082	39%	0.385	C	S	.	.	H	α-helix	trans	-87.7	-15.2	-174.2	0	0	0	0	0	115.6	N111 Y112 S117 F118 T119	N111-G115 PolarHBondContact O-N 2.95Å; Y112-G115 PolarHBondContact O-N 2.97Å; G115-S117 VanDerWaalsContact C-N 3.32Å; G115-S117 PolarHBondContact O-N 2.74Å; G115-F118 PolarHBondContact O-N 3.25Å; G115-T119 VanDerWaalsContact C-OG1 3.27Å; G115-T119 WeakPolarHBondContact O-CB 3.31Å; G115-T119 PolarHBondContact O-N 2.92Å; G115-T119 PolarHBondContact O-OG1 3.38Å
116	E	97.7	Very high	97.8	Very high	73 Å²	73	72.3 Å²	72.3	34%	0.341	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-46.4	-164.9	-179.7	171.4	-151.5	0	0	113	Y112 F118 V120 Q121	Y112-E116 HydrophobicContact CD1-CB 4.41Å; Y112-E116 HydrophobicContact CE1-CB 4.25Å; Y112-E116 HydrophobicContact CE1-CG 4.05Å; Y112-E116 WeakPolarHBondContact O-CA 3.42Å; Y112-E116 VanDerWaalsContact O-CB 3.29Å; Y112-E116 WeakPolarHBondContact O-CB 3.1Å; Y112-E116 PolarHBondContact O-N 2.86Å; E116-F118 VanDerWaalsContact C-N 3.3Å; E116-F118 PolarHBondContact O-N 2.73Å; E116-V120 HydrophobicContact CG-CB 4.24Å; E116-V120 PolarHBondContact O-N 2.82Å; E116-Q121 HydrophobicContact CG-CG 4.21Å; E116-Q121 PolarHBondContact O-N 3.3Å
117	S	97.4	Very high	97.8	Very high	91 Å²	91	73.1 Å²	73.1	64%	0.636	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-32.6	-173.8	61.5	0	0	0	0	113.9	G115	G115-S117 VanDerWaalsContact C-N 3.32Å; G115-S117 PolarHBondContact O-N 2.74Å
118	F	96.3	Very high	97.8	Very high	122 Å²	122	69.9 Å²	69.9	54%	0.535	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-2.8	-174.7	64.1	-95	0	0	0	114.5	V114 G115 E116 R122	V114-F118 WeakPolarHBondContact O-CE1 3.2Å; G115-F118 PolarHBondContact O-N 3.25Å; E116-F118 VanDerWaalsContact C-N 3.3Å; E116-F118 PolarHBondContact O-N 2.73Å; F118-R122 WeakPolarHBondContact O-CB 3.39Å
119	T	97.3	Very high	97.8	Very high	38 Å²	38	73.7 Å²	73.7	23%	0.233	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-62.6	175.2	60.5	0	0	0	0	111.8	G115 R122 W182	G115-T119 VanDerWaalsContact C-OG1 3.27Å; G115-T119 WeakPolarHBondContact O-CB 3.31Å; G115-T119 PolarHBondContact O-N 2.92Å; G115-T119 PolarHBondContact O-OG1 3.38Å; T119-R122 WeakPolarHBondContact O-CB 3.26Å; T119-W182 HydrophobicContact CG2-CH2 3.8Å; T119-W182 HydrophobicContact CG2-CZ3 3.98Å
120	V	97	Very high	97.7	Very high	68 Å²	68	71.1 Å²	71.1	41%	0.412	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-46.7	-176.9	179.5	0	0	0	0	111.1	Y112 E116 R122	Y112-V120 HydrophobicContact CD2-CG2 4.41Å; Y112-V120 HydrophobicContact CE2-CG2 3.74Å; E116-V120 HydrophobicContact CG-CB 4.24Å; E116-V120 PolarHBondContact O-N 2.82Å; V120-R122 VanDerWaalsContact C-N 3.26Å; V120-R122 PolarHBondContact O-N 2.85Å
121	Q	97.1	Very high	97.4	Very high	96 Å²	96	70.2 Å²	70.2	45%	0.449	36%	0.363	S	S	.	.	S	Bend	trans	-84.5	-1.1	-177.8	-57.9	-57.4	-24.3	0	0	113.3	E116 R123	E116-Q121 HydrophobicContact CG-CG 4.21Å; E116-Q121 PolarHBondContact O-N 3.3Å; Q121-R123 PolarHBondContact O-N 2.75Å
122	R	97.8	Very high	97.1	Very high	88 Å²	88	68.9 Å²	68.9	33%	0.332	36%	0.358	S	S	.	.			trans	-62.7	126.6	-179.6	-177.7	-178.9	175.2	87.2	-1.5	110.1	F118 T119 V120 V124 Y152	F118-R122 WeakPolarHBondContact O-CB 3.39Å; T119-R122 WeakPolarHBondContact O-CB 3.26Å; V120-R122 VanDerWaalsContact C-N 3.26Å; V120-R122 PolarHBondContact O-N 2.85Å; R122-V124 HydrophobicContact CG-CG2 4.4Å; R122-Y152 HydrophobicContact CB-CD1 3.9Å; R122-Y152 HydrophobicContact CB-CE1 3.81Å; R122-Y152 HydrophobicContact CG-CD1 3.68Å; R122-Y152 HydrophobicContact CG-CE1 4.01Å; R122-Y152 HydrophobicContact CG-CG 4.39Å; R122-Y152 WeakPolarHBondContact O-CD1 3.49Å
123	R	98.2	Very high	96.6	Very high	148 Å²	148	69.7 Å²	69.7	56%	0.558	37%	0.373	S	S	*	.			trans	-134.8	127	174.4	-66.7	175.5	-169.5	169	7.2	109.3	Q121 Y152 P207	Q121-R123 PolarHBondContact O-N 2.75Å; R123-Y152 CarbonylContact C-O 3.53Å; R123-Y152 WeakPolarHBondContact CA-O 3.33Å; R123-P207 WeakPolarHBondContact CD-O 3.19Å
124	V	98.3	Very high	95.8	Very high	43 Å²	43	74 Å²	74	26%	0.261	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-125.8	130.2	176.4	-172	0	0	0	0	108.5	R122 G150 F151 Y152 H206	R122-V124 HydrophobicContact CG-CG2 4.4Å; V124-G150 WeakPolarHBondContact CG1-O 3.32Å; V124-F151 WeakPolarHBondContact O-CA 3.41Å; V124-Y152 PolarHBondContact N-O 2.61Å; V124-Y152 PolarHBondContact O-N 3.1Å; V124-H206 PolarHBondContact O-CE1 2.62Å; V124-H206 VanDerWaalsContact O-CE1 3.24Å
125	H	97.8	Very high	94.4	Very high	108 Å²	108	76.3 Å²	76.3	50%	0.5	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-71.7	136.6	-175.3	-74.6	65.3	0	0	0	111.9	S208 V209	H125-S208 WeakPolarHBondContact CA-OG 3.25Å; H125-S208 PolarHBondContact CE1-O 2.79Å; H125-S208 PolarHBondContact NE2-O 2.92Å; H125-S208 VanDerWaalsContact NE2-O 3.14Å; H125-V209 WeakPolarHBondContact CD2-CG1 3.37Å
126	P	98.3	Very high	93	Very high	8 Å²	8	79.7 Å²	79.7	5%	0.052	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-69.1	138.9	173.2	26.3	-31.7	0	0	0	111.7	V128 V148 F151 V204 H206 L213	P126-V128 HydrophobicContact CB-CG2 4.31Å; P126-V148 HydrophobicContact CB-CG1 3.54Å; P126-F151 HydrophobicContact CB-CB 3.76Å; P126-F151 HydrophobicContact CB-CD1 4.12Å; P126-F151 HydrophobicContact CB-CG 4.22Å; P126-F151 HydrophobicContact CG-CB 4.42Å; P126-V204 HydrophobicContact CG-CG1 4.19Å; P126-H206 HydrophobicContact CG-CB 4.35Å; P126-L213 HydrophobicContact CG-CD1 3.63Å
127	Q	98.1	Very high	91.5	Very high	130 Å²	130	80.3 Å²	80.3	61%	0.607	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	124.1	161	-64.9	-65.4	-41.8	0	0	108	V148 S149	Q127-V148 WeakPolarHBondContact O-CA 3.46Å; Q127-S149 PolarHBondContact N-O 3.11Å; Q127-S149 PolarHBondContact O-N 2.96Å
128	V	98.3	Very high	89.9	Confident	25 Å²	25	78.1 Å²	78.1	15%	0.152	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.9	-175.6	-173.6	0	0	0	0	109.3	P126 S147 V148 V204 L213 V215	P126-V128 HydrophobicContact CB-CG2 4.31Å; V128-S147 WeakPolarHBondContact CA-O 3.34Å; V128-V148 HydrophobicContact CG1-CG2 4.42Å; V128-V148 HydrophobicContact CG2-CG1 4.28Å; V128-V148 HydrophobicContact CG2-CG2 4.49Å; V128-V204 HydrophobicContact CG1-CG2 4.12Å; V128-V204 HydrophobicContact CG2-CB 4.33Å; V128-V204 HydrophobicContact CG2-CG2 3.83Å; V128-L213 HydrophobicContact CG2-CD1 4.28Å; V128-V215 HydrophobicContact CB-CG2 3.79Å; V128-V215 HydrophobicContact CG1-CB 4.09Å; V128-V215 HydrophobicContact CG1-CG2 3.58Å
129	T	97.1	Very high	88.5	Confident	79 Å²	79	79.4 Å²	79.4	49%	0.485	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.6	177.7	-51.8	0	0	0	0	109.4	Y131 S147	T129-Y131 HydrophobicContact CG2-CD1 4.03Å; T129-S147 PolarHBondContact N-O 2.87Å; T129-S147 PolarHBondContact O-N 2.92Å
130	V	96.7	Very high	87.5	Confident	20 Å²	20	82.4 Å²	82.4	12%	0.121	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.1	176.5	-179.8	0	0	0	0	110.4	V145 C146 W160 C202 V215 W217	V130-V145 VanDerWaalsContact CA-O 3.31Å; V130-V145 WeakPolarHBondContact CA-O 3.13Å; V130-C146 HydrophobicContact CG2-CB 4.31Å; V130-W160 HydrophobicContact CG1-CH2 3.63Å; V130-W160 HydrophobicContact CG1-CZ3 4.23Å; V130-W160 HydrophobicContact CG2-CH2 4.41Å; V130-C202 HydrophobicContact CG2-CB 3.63Å; V130-V215 HydrophobicContact CB-CG1 4.03Å; V130-V215 HydrophobicContact CG2-CB 3.87Å; V130-V215 HydrophobicContact CG2-CG1 3.66Å; V130-W217 HydrophobicContact CB-CB 4.39Å; V130-W217 HydrophobicContact CG1-CB 3.58Å; V130-W217 HydrophobicContact CG1-CG 4.23Å
131	Y	92.4	Very high	86.7	Confident	93 Å²	93	85.5 Å²	85.5	37%	0.365	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	153.4	178.9	57.4	-87.5	0	0	0	111.7	T129 V145	T129-Y131 HydrophobicContact CG2-CD1 4.03Å; Y131-V145 HydrophobicContact CD2-CB 4.22Å; Y131-V145 HydrophobicContact CD2-CG2 4.5Å; Y131-V145 HydrophobicContact CE1-CB 4.34Å; Y131-V145 HydrophobicContact CE1-CG1 4.25Å; Y131-V145 HydrophobicContact CE2-CB 3.85Å; Y131-V145 HydrophobicContact CE2-CG1 4.17Å; Y131-V145 HydrophobicContact CE2-CG2 4.08Å; Y131-V145 PolarHBondContact N-O 2.82Å; Y131-V145 PolarHBondContact O-N 3.06Å
132	P	92.4	Very high	86	Confident	38 Å²	38	81.8 Å²	81.8	25%	0.247	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	138.2	170.4	31.2	-33.4	0	0	0	110.3	K134 L144	P132-K134 PolarHBondContact O-N 2.74Å; P132-L144 HydrophobicContact CB-CD2 4.14Å
133	A	87.6	Confident	85.7	Confident	53 Å²	53	80.3 Å²	80.3	44%	0.438	41%	0.407	S	S	.	.	S	Bend	trans	-62.6	-29.1	178.6	0	0	0	0	0	112.6	L143 V145	A133-L143 HydrophobicContact CB-CB 3.9Å; A133-L143 HydrophobicContact CB-CD2 4.29Å; A133-L143 HydrophobicContact CB-CG 4.5Å; A133-L143 WeakPolarHBondContact CB-O 3.27Å; A133-L143 PolarHBondContact N-O 3Å; A133-V145 HydrophobicContact CB-CG2 3.92Å
134	K	80.2	Confident	85.5	Confident	138 Å²	138	73.2 Å²	73.2	60%	0.6	38%	0.381	S	S	*	.	S	Bend	trans	-135	142	174.3	-64.7	-178.4	-178.4	175.8	0	110.2	P132 Q136 N142	P132-K134 PolarHBondContact O-N 2.74Å; K134-Q136 HydrophobicContact CB-CG 4.05Å; K134-Q136 PolarHBondContact O-N 2.96Å; K134-N142 PolarHBondContact O-ND2 3.36Å
135	T	69.8	Low	85.4	Confident	136 Å²	136	71.6 Å²	71.6	83%	0.834	37%	0.371	S	S	*	.			trans	-75.1	77.1	169.7	-26.2	0	0	0	0	108.9
136	Q	67.3	Low	85.5	Confident	79 Å²	79	66.4 Å²	66.4	37%	0.369	35%	0.347	S	S	.	.			trans	-104.4	153.1	175.8	-75.5	-169	10.4	0	0	111.3	K134 H141	K134-Q136 HydrophobicContact CB-CG 4.05Å; K134-Q136 PolarHBondContact O-N 2.96Å; Q136-H141 PolarHBondContact OE1-O 2.91Å; Q136-H141 VanDerWaalsContact OE1-O 3.1Å
137	P	66.6	Low	85.5	Confident	86 Å²	86	67 Å²	67	56%	0.558	35%	0.351	S	S	*	.			trans	-56.8	151.6	171.4	-17.9	29.6	0	0	0	111.2
138	L	62.7	Low	85.5	Confident	44 Å²	44	60.9 Å²	60.9	23%	0.23	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	160.6	170.6	-63.2	177.9	0	0	0	111.1	H140 P194 A219	L138-H140 PolarHBondContact O-N 3.18Å; L138-H140 PolarHBondContact O-ND1 2.85Å; L138-P194 HydrophobicContact CD2-CB 4.07Å; L138-A219 HydrophobicContact CD2-CB 3.88Å
139	Q	67.9	Low	85.5	Confident	150 Å²	150	61.5 Å²	61.5	70%	0.701	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	13.2	-177.5	-50.6	173.8	-8.5	0	0	115.6	V193 P194	Q139-V193 VanDerWaalsContact C-CG1 3.47Å; Q139-P194 PolarHBondContact N-O 2.99Å
140	H	76.2	Confident	85.5	Confident	101 Å²	101	58.9 Å²	58.9	47%	0.468	32%	0.317	S	S	.	.	S	Bend	trans	-110.3	158	168.3	-66.3	71.8	0	0	0	110.7	L138 N142	L138-H140 PolarHBondContact O-N 3.18Å; L138-H140 PolarHBondContact O-ND1 2.85Å; H140-N142 PolarHBondContact O-N 2.81Å
141	H	79.2	Confident	85.6	Confident	133 Å²	133	58 Å²	58	62%	0.616	31%	0.311	S	S	*	.			trans	-58.6	120.2	172.9	-76.1	-85.2	0	0	0	110	Q136	Q136-H141 PolarHBondContact OE1-O 2.91Å; Q136-H141 VanDerWaalsContact OE1-O 3.1Å
142	N	82.6	Confident	85.9	Confident	17 Å²	17	55.5 Å²	55.5	9%	0.091	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.1	177	-153.5	-16.5	0	0	0	109.8	K134 H140 T192 P194	K134-N142 PolarHBondContact O-ND2 3.36Å; H140-N142 PolarHBondContact O-N 2.81Å; N142-T192 PolarHBondContact N-O 2.82Å; N142-T192 PolarHBondContact O-N 2.86Å; N142-P194 HydrophobicContact CB-CG 4.28Å
143	L	91.1	Very high	86.2	Confident	57 Å²	57	55.5 Å²	55.5	30%	0.298	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	109.2	175.3	-169.2	72.8	0	0	0	107.1	A133 M189 L190 E191	A133-L143 HydrophobicContact CB-CB 3.9Å; A133-L143 HydrophobicContact CB-CD2 4.29Å; A133-L143 HydrophobicContact CB-CG 4.5Å; A133-L143 WeakPolarHBondContact CB-O 3.27Å; A133-L143 PolarHBondContact N-O 3Å; L143-M189 HydrophobicContact CD1-CB 3.82Å; L143-M189 HydrophobicContact CD2-CB 4.11Å; L143-M189 HydrophobicContact CD2-CG 4.2Å; L143-M189 HydrophobicContact CD2-SD 3.91Å; L143-M189 HydrophobicContact CG-CB 3.9Å; L143-M189 HydrophobicContact CG-CG 4.41Å; L143-L190 WeakPolarHBondContact CA-O 3.24Å; L143-E191 HydrophobicContact CD1-CB 4.19Å
144	L	95	Very high	86.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	127.9	172.7	-66.7	178.5	0	0	0	108.7	P132 W160 M189 L190 T192 Y200 W217	P132-L144 HydrophobicContact CB-CD2 4.14Å; L144-W160 HydrophobicContact CB-CH2 3.76Å; L144-W160 HydrophobicContact CB-CZ2 4.05Å; L144-W160 HydrophobicContact CB-CZ3 4.45Å; L144-M189 CarbonylContact O-C 3.55Å; L144-M189 WeakPolarHBondContact O-CA 3.25Å; L144-L190 HydrophobicContact CB-CB 4.49Å; L144-L190 PolarHBondContact N-O 2.64Å; L144-L190 PolarHBondContact O-N 3.29Å; L144-T192 HydrophobicContact CD1-CG2 3.97Å; L144-T192 HydrophobicContact CG-CG2 4.17Å; L144-Y200 HydrophobicContact CD1-CD1 3.66Å; L144-Y200 HydrophobicContact CD1-CD2 3.88Å; L144-Y200 HydrophobicContact CD1-CE1 4.17Å; L144-Y200 HydrophobicContact CD1-CE2 4.39Å; L144-Y200 HydrophobicContact CD1-CG 3.48Å; L144-Y200 VanDerWaalsContact CD1-CG 3.48Å; L144-W217 HydrophobicContact CD1-CD2 4.4Å; L144-W217 HydrophobicContact CD1-CE3 3.66Å; L144-W217 HydrophobicContact CD1-CZ3 3.85Å; L144-W217 HydrophobicContact CD2-CD2 3.76Å; L144-W217 HydrophobicContact CD2-CE3 3.72Å; L144-W217 HydrophobicContact CD2-CG 4.44Å; L144-W217 HydrophobicContact CD2-CH2 3.97Å; L144-W217 HydrophobicContact CD2-CZ2 4Å; L144-W217 HydrophobicContact CD2-CZ3 3.82Å; L144-W217 HydrophobicContact CG-CE3 4.37Å; L144-W217 HydrophobicContact CG-CZ3 4.44Å
145	V	97.1	Very high	87.5	Confident	8 Å²	8	50.5 Å²	50.5	5%	0.048	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.8	-177.4	-173.1	0	0	0	0	108.6	V130 Y131 A133 L187 M189	V130-V145 VanDerWaalsContact CA-O 3.31Å; V130-V145 WeakPolarHBondContact CA-O 3.13Å; Y131-V145 HydrophobicContact CD2-CB 4.22Å; Y131-V145 HydrophobicContact CD2-CG2 4.5Å; Y131-V145 HydrophobicContact CE1-CB 4.34Å; Y131-V145 HydrophobicContact CE1-CG1 4.25Å; Y131-V145 HydrophobicContact CE2-CB 3.85Å; Y131-V145 HydrophobicContact CE2-CG1 4.17Å; Y131-V145 HydrophobicContact CE2-CG2 4.08Å; Y131-V145 PolarHBondContact N-O 2.82Å; Y131-V145 PolarHBondContact O-N 3.06Å; A133-V145 HydrophobicContact CB-CG2 3.92Å; V145-L187 HydrophobicContact CG1-CB 4.4Å; V145-L187 HydrophobicContact CG1-CD2 4.25Å; V145-M189 HydrophobicContact CG1-CG 4.24Å; V145-M189 HydrophobicContact CG2-CG 4.21Å
146	C	98.2	Very high	88.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	104.2	163.6	-175	0	0	0	0	108.1	V130 W160 V188 C202	V130-C146 HydrophobicContact CG2-CB 4.31Å; C146-W160 HydrophobicContact CB-CH2 4.19Å; C146-W160 HydrophobicContact CB-CZ2 3.54Å; C146-V188 WeakPolarHBondContact CB-O 3.45Å; C146-V188 PolarHBondContact N-O 2.86Å; C146-V188 PolarHBondContact O-N 3.16Å; C146-C202 HydrophobicContact CB-CB 3.62Å; C146-C202 WeakPolarHBondContact CB-SG 3.42Å; C146-C202 WeakPolarHBondContact SG-CB 3.34Å; C146-C202 CovalentContact SG-SG 2.02Å; C146-C202 PolarHBondContact SG-SG 3.38Å
147	S	98.2	Very high	90.3	Very high	21 Å²	21	46.6 Å²	46.6	15%	0.147	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	116.4	176.7	-178.9	0	0	0	0	109.2	V128 T129 L187	V128-S147 WeakPolarHBondContact CA-O 3.34Å; T129-S147 PolarHBondContact N-O 2.87Å; T129-S147 PolarHBondContact O-N 2.92Å; S147-L187 WeakPolarHBondContact OG-CD2 3.45Å
148	V	98.6	Very high	91.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.1	178.4	-170.3	0	0	0	0	108	P126 Q127 V128 F151 I156 V158 Q185 T186 V204	P126-V148 HydrophobicContact CB-CG1 3.54Å; Q127-V148 WeakPolarHBondContact O-CA 3.46Å; V128-V148 HydrophobicContact CG1-CG2 4.42Å; V128-V148 HydrophobicContact CG2-CG1 4.28Å; V128-V148 HydrophobicContact CG2-CG2 4.49Å; V148-F151 HydrophobicContact CB-CE1 4.32Å; V148-F151 HydrophobicContact CG1-CD1 3.86Å; V148-F151 HydrophobicContact CG1-CE1 3.85Å; V148-F151 WeakPolarHBondContact O-CE1 3.13Å; V148-I156 HydrophobicContact CG1-CD1 3.62Å; V148-V158 HydrophobicContact CG2-CG1 4.35Å; V148-V158 HydrophobicContact CG2-CG2 4.08Å; V148-Q185 CarbonylContact O-C 3.48Å; V148-Q185 VanDerWaalsContact O-CA 3.26Å; V148-Q185 WeakPolarHBondContact O-CA 3.4Å; V148-T186 HydrophobicContact CB-CG2 3.99Å; V148-T186 PolarHBondContact N-O 3.14Å; V148-T186 PolarHBondContact O-N 3.18Å; V148-V204 HydrophobicContact CG1-CG1 4.19Å; V148-V204 HydrophobicContact CG1-CG2 4.48Å; V148-V204 HydrophobicContact CG2-CG2 3.83Å
149	S	98.2	Very high	93.5	Very high	38 Å²	38	44.7 Å²	44.7	27%	0.266	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	155.6	-169.7	59.3	0	0	0	0	113.5	Q127	Q127-S149 PolarHBondContact N-O 3.11Å; Q127-S149 PolarHBondContact O-N 2.96Å
150	G	98.1	Very high	95	Very high	25 Å²	25	37.6 Å²	37.6	26%	0.258	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77.2	19.6	170.2	0	0	0	0	0	114.3	V124 F184	V124-G150 WeakPolarHBondContact CG1-O 3.32Å; G150-F184 PolarHBondContact N-O 2.92Å
151	F	98.6	Very high	96	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	160.1	-176.6	61.8	-87.6	0	0	0	113.1	V124 P126 V148 P153 I156 L176 T183 F184 T186 H206	V124-F151 WeakPolarHBondContact O-CA 3.41Å; P126-F151 HydrophobicContact CB-CB 3.76Å; P126-F151 HydrophobicContact CB-CD1 4.12Å; P126-F151 HydrophobicContact CB-CG 4.22Å; P126-F151 HydrophobicContact CG-CB 4.42Å; V148-F151 HydrophobicContact CB-CE1 4.32Å; V148-F151 HydrophobicContact CG1-CD1 3.86Å; V148-F151 HydrophobicContact CG1-CE1 3.85Å; V148-F151 WeakPolarHBondContact O-CE1 3.13Å; F151-P153 WeakPolarHBondContact CD2-O 3.42Å; F151-I156 HydrophobicContact CD1-CD1 4.02Å; F151-I156 HydrophobicContact CD2-CB 4.48Å; F151-I156 HydrophobicContact CD2-CD1 3.85Å; F151-I156 HydrophobicContact CE1-CD1 3.82Å; F151-I156 HydrophobicContact CE2-CB 3.88Å; F151-I156 HydrophobicContact CE2-CD1 3.65Å; F151-I156 HydrophobicContact CE2-CG1 4.39Å; F151-I156 HydrophobicContact CE2-CG2 3.78Å; F151-I156 HydrophobicContact CG-CD1 4.03Å; F151-I156 HydrophobicContact CZ-CB 4.32Å; F151-I156 HydrophobicContact CZ-CD1 3.65Å; F151-I156 HydrophobicContact CZ-CG2 3.84Å; F151-L176 HydrophobicContact CE2-CD1 3.89Å; F151-L176 HydrophobicContact CZ-CD1 3.73Å; F151-T183 CarbonylContact O-C 3.59Å; F151-T183 WeakPolarHBondContact O-CA 3.39Å; F151-F184 WeakPolarHBondContact CD1-O 3.33Å; F151-F184 HydrophobicContact CD2-CB 4.04Å; F151-F184 HydrophobicContact CE1-CB 4.21Å; F151-F184 WeakPolarHBondContact CE1-O 3.12Å; F151-F184 HydrophobicContact CE2-CB 3.6Å; F151-F184 HydrophobicContact CE2-CG 4.46Å; F151-F184 HydrophobicContact CZ-CB 3.69Å; F151-F184 PolarHBondContact N-O 2.87Å; F151-F184 PolarHBondContact O-N 3.49Å; F151-T186 HydrophobicContact CE1-CG2 4.27Å; F151-T186 HydrophobicContact CZ-CG2 4.19Å; F151-H206 AromaticContact CD2-CD2 3.91Å; F151-H206 AromaticContact CD2-NE2 3.73Å
152	Y	98.5	Very high	96.8	Very high	41 Å²	41	31 Å²	31	16%	0.161	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-156.5	139.7	173	-172.6	-81.2	0	0	0	109.3	R122 R123 V124 W182 F184 H206	R122-Y152 HydrophobicContact CB-CD1 3.9Å; R122-Y152 HydrophobicContact CB-CE1 3.81Å; R122-Y152 HydrophobicContact CG-CD1 3.68Å; R122-Y152 HydrophobicContact CG-CE1 4.01Å; R122-Y152 HydrophobicContact CG-CG 4.39Å; R122-Y152 WeakPolarHBondContact O-CD1 3.49Å; R123-Y152 CarbonylContact C-O 3.53Å; R123-Y152 WeakPolarHBondContact CA-O 3.33Å; V124-Y152 PolarHBondContact N-O 2.61Å; V124-Y152 PolarHBondContact O-N 3.1Å; Y152-W182 WeakPolarHBondContact CD2-O 3.43Å; Y152-W182 HydrophobicContact CE2-CE3 4.08Å; Y152-F184 HydrophobicContact CD2-CD2 4.06Å; Y152-F184 AromaticContact CD2-CE2 3.64Å; Y152-F184 HydrophobicContact CD2-CE2 3.64Å; Y152-F184 AromaticContact CE2-CE2 3.9Å; Y152-F184 HydrophobicContact CE2-CE2 3.9Å; Y152-H206 PolarHBondContact O-CE1 3.24Å
153	P	98.3	Very high	97.4	Very high	38 Å²	38	34.8 Å²	34.8	25%	0.247	19%	0.192	C	C	.	.	S	Bend	cis	-74.6	-177.9	2	33.3	-37.9	0	0	0	113.2	F151 S155 H206 P207	F151-P153 WeakPolarHBondContact CD2-O 3.42Å; P153-S155 VanDerWaalsContact C-N 3.27Å; P153-S155 PolarHBondContact O-N 2.89Å; P153-H206 PolarHBondContact O-NE2 2.9Å; P153-P207 HydrophobicContact CG-CG 4.45Å
154	G	97.9	Very high	97.5	Very high	16 Å²	16	35 Å²	35	17%	0.165	21%	0.207	C	C	.	.	S	Bend	trans	-72.8	-13.8	-177.9	0	0	0	0	0	115.3	I156	G154-I156 PolarHBondContact O-N 3.18Å
155	S	97.6	Very high	97.6	Very high	70 Å²	70	42 Å²	42	49%	0.49	24%	0.24	S	C	.	.			trans	-70.5	109	178.7	58.7	0	0	0	0	110.4	P153 H206 P207	P153-S155 VanDerWaalsContact C-N 3.27Å; P153-S155 PolarHBondContact O-N 2.89Å; S155-H206 PolarHBondContact O-CD2 3.01Å; S155-H206 VanDerWaalsContact O-CD2 3.31Å; S155-P207 VanDerWaalsContact O-CD 3.26Å; S155-P207 WeakPolarHBondContact O-CD 3.44Å
156	I	98.3	Very high	97.6	Very high	45 Å²	45	45.7 Å²	45.7	23%	0.231	26%	0.257	C	S	.	.			trans	-146.2	148.1	-176.1	-165.1	164.9	0	0	0	110	V148 F151 G154 V158 V204 E205 H206	V148-I156 HydrophobicContact CG1-CD1 3.62Å; F151-I156 HydrophobicContact CD1-CD1 4.02Å; F151-I156 HydrophobicContact CD2-CB 4.48Å; F151-I156 HydrophobicContact CD2-CD1 3.85Å; F151-I156 HydrophobicContact CE1-CD1 3.82Å; F151-I156 HydrophobicContact CE2-CB 3.88Å; F151-I156 HydrophobicContact CE2-CD1 3.65Å; F151-I156 HydrophobicContact CE2-CG1 4.39Å; F151-I156 HydrophobicContact CE2-CG2 3.78Å; F151-I156 HydrophobicContact CG-CD1 4.03Å; F151-I156 HydrophobicContact CZ-CB 4.32Å; F151-I156 HydrophobicContact CZ-CD1 3.65Å; F151-I156 HydrophobicContact CZ-CG2 3.84Å; G154-I156 PolarHBondContact O-N 3.18Å; I156-V158 HydrophobicContact CD1-CG2 4.33Å; I156-V158 HydrophobicContact CG1-CG2 4.16Å; I156-V204 HydrophobicContact CD1-CG1 3.68Å; I156-V204 HydrophobicContact CG1-CG1 3.9Å; I156-E205 WeakPolarHBondContact CG1-O 3Å; I156-H206 HydrophobicContact CD1-CB 4.45Å; I156-H206 HydrophobicContact CG1-CB 4.23Å
157	E	98.1	Very high	97.6	Very high	89 Å²	89	47.8 Å²	47.8	42%	0.416	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.1	169.4	-166.9	174.5	177.6	0	0	109.8	R159 V204 E205	E157-R159 HydrophobicContact CG-CG 4.35Å; E157-R159 IonicContact OE1-CZ 3.26Å; E157-R159 IonicContact OE1-NE 3.41Å; E157-R159 PolarHBondContact OE1-NE 3.15Å; E157-R159 IonicContact OE1-NH2 3.5Å; E157-R159 PolarHBondContact OE1-NH2 3.36Å; E157-R159 IonicContact OE2-CZ 2.68Å; E157-R159 IonicContact OE2-NE 2.71Å; E157-R159 IonicContact OE2-NH2 3.52Å; E157-R159 PolarHBondContact OE2-NH2 3.04Å; E157-V204 WeakPolarHBondContact O-CA 3.32Å; E157-E205 HydrophobicContact CB-CB 4.26Å; E157-E205 PolarHBondContact N-O 3.12Å; E157-E205 PolarHBondContact O-N 2.91Å
158	V	98.4	Very high	97.4	Very high	26 Å²	26	53.9 Å²	53.9	16%	0.158	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.5	-177.6	-176.8	0	0	0	0	108.2	V148 I156 T186 V188 C202 Q203 V204	V148-V158 HydrophobicContact CG2-CG1 4.35Å; V148-V158 HydrophobicContact CG2-CG2 4.08Å; I156-V158 HydrophobicContact CD1-CG2 4.33Å; I156-V158 HydrophobicContact CG1-CG2 4.16Å; V158-T186 HydrophobicContact CG2-CG2 4.33Å; V158-V188 HydrophobicContact CB-CB 4.38Å; V158-V188 HydrophobicContact CB-CG2 3.78Å; V158-V188 HydrophobicContact CG1-CB 3.79Å; V158-V188 HydrophobicContact CG1-CG1 4.22Å; V158-V188 HydrophobicContact CG1-CG2 3.69Å; V158-V188 HydrophobicContact CG2-CG2 4.28Å; V158-C202 VanDerWaalsContact CG1-SG 3.59Å; V158-Q203 CarbonylContact C-O 3.47Å; V158-Q203 WeakPolarHBondContact CA-O 3.03Å; V158-V204 HydrophobicContact CG1-CG2 4.26Å; V158-V204 HydrophobicContact CG2-CG1 4.41Å; V158-V204 HydrophobicContact CG2-CG2 4.24Å
159	R	98.4	Very high	97.3	Very high	63 Å²	63	59.5 Å²	59.5	24%	0.238	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.3	-177.1	-60.9	-175.8	-165.9	136.3	5.2	110.7	E157 F161 Q203 E205	E157-R159 HydrophobicContact CG-CG 4.35Å; E157-R159 IonicContact OE1-CZ 3.26Å; E157-R159 IonicContact OE1-NE 3.41Å; E157-R159 PolarHBondContact OE1-NE 3.15Å; E157-R159 IonicContact OE1-NH2 3.5Å; E157-R159 PolarHBondContact OE1-NH2 3.36Å; E157-R159 IonicContact OE2-CZ 2.68Å; E157-R159 IonicContact OE2-NE 2.71Å; E157-R159 IonicContact OE2-NH2 3.52Å; E157-R159 PolarHBondContact OE2-NH2 3.04Å; R159-F161 HydrophobicContact CB-CD2 4.46Å; R159-F161 HydrophobicContact CB-CE2 3.74Å; R159-F161 HydrophobicContact CB-CZ 4.41Å; R159-Q203 PolarHBondContact N-O 2.94Å; R159-Q203 PolarHBondContact O-N 2.71Å; R159-E205 IonicContact CZ-OE1 2.86Å; R159-E205 IonicContact NH1-OE1 3.6Å; R159-E205 PolarHBondContact NH1-OE1 3.18Å; R159-E205 IonicContact NH2-OE1 2.82Å; R159-E205 PolarHBondContact NH2-OE1 2.65Å
160	W	98.3	Very high	97	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.008	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	141.8	172.2	-85.2	106.8	0	0	0	110.7	V130 L144 C146 E166 E167 V171 V188 L190 C202	V130-W160 HydrophobicContact CG1-CH2 3.63Å; V130-W160 HydrophobicContact CG1-CZ3 4.23Å; V130-W160 HydrophobicContact CG2-CH2 4.41Å; L144-W160 HydrophobicContact CB-CH2 3.76Å; L144-W160 HydrophobicContact CB-CZ2 4.05Å; L144-W160 HydrophobicContact CB-CZ3 4.45Å; C146-W160 HydrophobicContact CB-CH2 4.19Å; C146-W160 HydrophobicContact CB-CZ2 3.54Å; W160-E166 CarbonylContact O-C 3.57Å; W160-E166 WeakPolarHBondContact O-CA 3.19Å; W160-E167 HydrophobicContact CB-CB 4.2Å; W160-E167 PolarHBondContact O-N 2.81Å; W160-V171 HydrophobicContact CB-CG2 4.41Å; W160-V188 PolarHBondContact NE1-O 3.15Å; W160-L190 HydrophobicContact CB-CD2 4.24Å; W160-L190 HydrophobicContact CD2-CB 3.94Å; W160-L190 HydrophobicContact CD2-CD2 4.15Å; W160-L190 HydrophobicContact CE3-CD2 4.21Å; W160-L190 HydrophobicContact CG-CB 3.94Å; W160-L190 HydrophobicContact CG-CD2 4.2Å; W160-L190 HydrophobicContact CZ2-CB 4.37Å; W160-C202 HydrophobicContact CE3-CB 4.37Å; W160-C202 HydrophobicContact CH2-CB 4.35Å; W160-C202 HydrophobicContact CZ3-CB 4.21Å
161	F	98	Very high	97	Very high	36 Å²	36	60.3 Å²	60.3	16%	0.158	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.7	171.7	-64.4	-102	0	0	0	110.1	R159 Q165 E166 Y200 T201 Q203	R159-F161 HydrophobicContact CB-CD2 4.46Å; R159-F161 HydrophobicContact CB-CE2 3.74Å; R159-F161 HydrophobicContact CB-CZ 4.41Å; F161-Q165 CarbonylContact C-O 3.51Å; F161-Q165 WeakPolarHBondContact CA-O 3.46Å; F161-E166 HydrophobicContact CD1-CB 4.08Å; F161-E166 HydrophobicContact CE1-CB 3.81Å; F161-E166 HydrophobicContact CE1-CG 4.29Å; F161-E166 HydrophobicContact CZ-CB 4.33Å; F161-E166 HydrophobicContact CZ-CG 4.32Å; F161-Y200 CarbonylContact O-C 3.46Å; F161-Y200 VanDerWaalsContact O-CA 3.28Å; F161-Y200 WeakPolarHBondContact O-CA 3.49Å; F161-T201 PolarHBondContact N-O 3.45Å; F161-T201 PolarHBondContact O-N 3.24Å; F161-Q203 HydrophobicContact CD2-CB 4.08Å; F161-Q203 HydrophobicContact CE2-CB 3.69Å; F161-Q203 HydrophobicContact CE2-CG 4.4Å; F161-Q203 VanDerWaalsContact CE2-OE1 3.27Å
162	R	96.1	Very high	96.8	Very high	60 Å²	60	64.1 Å²	64.1	23%	0.226	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.8	170.5	-178.6	-173.8	-173.9	163.1	6.7	108.4	G164 Q165 E167 E198 Y200	R162-G164 PolarHBondContact O-N 2.91Å; R162-G164 VanDerWaalsContact O-N 3.11Å; R162-Q165 PolarHBondContact N-O 2.74Å; R162-Q165 PolarHBondContact O-N 2.84Å; R162-E167 HydrophobicContact CB-CG 3.69Å; R162-E167 WeakPolarHBondContact CB-OE1 3.49Å; R162-E167 WeakPolarHBondContact CD-OE1 3.37Å; R162-E198 IonicContact CZ-OE1 3.37Å; R162-E198 IonicContact CZ-OE2 3.71Å; R162-E198 IonicContact NE-OE1 3.09Å; R162-E198 PolarHBondContact NE-OE1 3.41Å; R162-E198 IonicContact NE-OE2 2.73Å; R162-E198 IonicContact NH2-OE1 2.72Å; R162-E198 PolarHBondContact NH2-OE1 2.92Å; R162-E198 IonicContact NH2-OE2 2.83Å; R162-E198 PolarHBondContact NH2-OE2 2.78Å; R162-E198 VanDerWaalsContact NH2-OE2 3.1Å; R162-Y200 HydrophobicContact CB-CD1 4.19Å; R162-Y200 HydrophobicContact CB-CE1 4.1Å; R162-Y200 HydrophobicContact CG-CD1 4.21Å; R162-Y200 HydrophobicContact CG-CE1 3.76Å; R162-Y200 PolarHBondContact NE-OH 3.31Å; R162-Y200 PolarHBondContact NH2-OH 3Å
163	N	94.6	Very high	96.7	Very high	96 Å²	96	65.2 Å²	65.2	51%	0.513	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	37.7	-176.3	-55.7	-34.7	0	0	0	112.8	Q165 V199	N163-Q165 PolarHBondContact O-N 3.19Å; N163-V199 PolarHBondContact N-O 3.24Å; N163-V199 PolarHBondContact OD1-N 2.79Å; N163-V199 PolarHBondContact OD1-O 2.98Å
164	G	93.5	Very high	96.6	Very high	60 Å²	60	66.5 Å²	66.5	62%	0.619	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-2.6	-178.9	0	0	0	0	0	116.1	R162	R162-G164 PolarHBondContact O-N 2.91Å; R162-G164 VanDerWaalsContact O-N 3.11Å
165	Q	96.6	Very high	96.5	Very high	148 Å²	148	67.4 Å²	67.4	69%	0.692	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.5	173.9	-65.5	-172.6	-17.7	0	0	111	F161 R162 N163 E167	F161-Q165 CarbonylContact C-O 3.51Å; F161-Q165 WeakPolarHBondContact CA-O 3.46Å; R162-Q165 PolarHBondContact N-O 2.74Å; R162-Q165 PolarHBondContact O-N 2.84Å; N163-Q165 PolarHBondContact O-N 3.19Å; Q165-E167 PolarHBondContact O-N 3.09Å
166	E	97.7	Very high	96.5	Very high	85 Å²	85	68.1 Å²	68.1	40%	0.397	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	128.7	-179.8	-168.6	-171	176.1	0	0	111	W160 F161 K168	W160-E166 CarbonylContact O-C 3.57Å; W160-E166 WeakPolarHBondContact O-CA 3.19Å; F161-E166 HydrophobicContact CD1-CB 4.08Å; F161-E166 HydrophobicContact CE1-CB 3.81Å; F161-E166 HydrophobicContact CE1-CG 4.29Å; F161-E166 HydrophobicContact CZ-CB 4.33Å; F161-E166 HydrophobicContact CZ-CG 4.32Å; E166-K168 WeakPolarHBondContact OE1-CE 3.35Å; E166-K168 IonicContact OE1-NZ 3.62Å; E166-K168 WeakPolarHBondContact OE2-CE 3.27Å; E166-K168 IonicContact OE2-NZ 3.1Å; E166-K168 PolarHBondContact OE2-NZ 3.46Å
167	E	97	Very high	96.5	Very high	45 Å²	45	69.1 Å²	69.1	21%	0.21	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.3	177.2	-69.5	-71.3	-177.9	0	0	109.8	W160 R162 Q165 V171 L190	W160-E167 HydrophobicContact CB-CB 4.2Å; W160-E167 PolarHBondContact O-N 2.81Å; R162-E167 HydrophobicContact CB-CG 3.69Å; R162-E167 WeakPolarHBondContact CB-OE1 3.49Å; R162-E167 WeakPolarHBondContact CD-OE1 3.37Å; Q165-E167 PolarHBondContact O-N 3.09Å; E167-V171 WeakPolarHBondContact O-CG2 3.34Å; E167-L190 HydrophobicContact CB-CD1 4.02Å; E167-L190 HydrophobicContact CB-CD2 4.44Å; E167-L190 HydrophobicContact CG-CD2 4.44Å
168	K	95.8	Very high	96.5	Very high	149 Å²	149	70.3 Å²	70.3	65%	0.648	39%	0.39	S	S	*	.			trans	-110.7	-28.4	176.3	-62.8	-176.1	-179.3	-179.5	0	112.5	E166	E166-K168 WeakPolarHBondContact OE1-CE 3.35Å; E166-K168 IonicContact OE1-NZ 3.62Å; E166-K168 WeakPolarHBondContact OE2-CE 3.27Å; E166-K168 IonicContact OE2-NZ 3.1Å; E166-K168 PolarHBondContact OE2-NZ 3.46Å
169	T	95	Very high	96.5	Very high	118 Å²	118	71.9 Å²	71.9	72%	0.724	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	136.1	-178.2	-24.3	0	0	0	0	109.7	V171	T169-V171 PolarHBondContact O-N 2.89Å
170	G	92.5	Very high	96.4	Very high	29 Å²	29	71.7 Å²	71.7	30%	0.299	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	10.3	-179	0	0	0	0	0	114.3	E191	G170-E191 PolarHBondContact O-N 3.42Å
171	V	97.1	Very high	96.3	Very high	51 Å²	51	76.2 Å²	76.2	31%	0.309	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.6	172.5	-179.4	0	0	0	0	110	W160 E167 T169 V188 M189 L190	W160-V171 HydrophobicContact CB-CG2 4.41Å; E167-V171 WeakPolarHBondContact O-CG2 3.34Å; T169-V171 PolarHBondContact O-N 2.89Å; V171-V188 HydrophobicContact CG1-CG1 3.63Å; V171-M189 CarbonylContact C-O 3.54Å; V171-M189 VanDerWaalsContact CA-O 3.27Å; V171-M189 WeakPolarHBondContact CA-O 3.08Å; V171-L190 HydrophobicContact CG2-CD1 3.76Å
172	V	96	Very high	96.3	Very high	80 Å²	80	80.5 Å²	80.5	49%	0.485	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.3	178.7	-176.6	0	0	0	0	109.1	M189	V172-M189 HydrophobicContact CB-CE 4.2Å; V172-M189 HydrophobicContact CG1-CE 3.96Å; V172-M189 PolarHBondContact N-O 2.87Å; V172-M189 WeakPolarHBondContact O-CE 3.46Å; V172-M189 PolarHBondContact O-N 2.82Å
173	S	96.6	Very high	96.4	Very high	64 Å²	64	78.5 Å²	78.5	45%	0.448	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	145.9	179	178.2	0	0	0	0	111	G175 L187	S173-G175 PolarHBondContact O-N 2.78Å; S173-G175 PolarHBondContact OG-N 2.83Å; S173-L187 WeakPolarHBondContact CA-O 3.45Å
174	T	95.2	Very high	96.6	Very high	65 Å²	65	75.4 Å²	75.4	40%	0.399	43%	0.431	S	S	.	.			trans	-69.1	-11.6	167.7	53.3	0	0	0	0	112.9	L187 M189	T174-L187 HydrophobicContact CG2-CB 3.79Å; T174-L187 HydrophobicContact CG2-CD1 4.15Å; T174-L187 HydrophobicContact CG2-CG 4.19Å; T174-L187 PolarHBondContact N-O 2.73Å; T174-L187 PolarHBondContact OG1-N 2.72Å; T174-M189 HydrophobicContact CG2-CE 4.29Å
175	G	96.3	Very high	96.9	Very high	34 Å²	34	75.8 Å²	75.8	35%	0.351	42%	0.417	S	S	.	.			trans	73.6	-178.8	-161.8	0	0	0	0	0	111.5	S173 T186	S173-G175 PolarHBondContact O-N 2.78Å; S173-G175 PolarHBondContact OG-N 2.83Å; G175-T186 PolarHBondContact O-OG1 3.15Å
176	L	97.8	Very high	96.9	Very high	86 Å²	86	69.1 Å²	69.1	45%	0.45	39%	0.386	S	S	.	.			trans	-79.3	123.2	-179.1	-172.2	71.1	0	0	0	110.5	F151 F184	F151-L176 HydrophobicContact CE2-CD1 3.89Å; F151-L176 HydrophobicContact CZ-CD1 3.73Å; L176-F184 HydrophobicContact CD1-CB 3.76Å; L176-F184 HydrophobicContact CD1-CD1 3.83Å; L176-F184 HydrophobicContact CD1-CG 4.01Å; L176-F184 HydrophobicContact CD2-CD1 3.68Å; L176-F184 HydrophobicContact CD2-CE1 3.77Å; L176-F184 HydrophobicContact CD2-CG 4.42Å; L176-F184 HydrophobicContact CG-CB 4.45Å; L176-F184 HydrophobicContact CG-CD1 3.6Å; L176-F184 HydrophobicContact CG-CE1 4.17Å; L176-F184 HydrophobicContact CG-CG 4.29Å
177	I	98.1	Very high	96.9	Very high	66 Å²	66	67.2 Å²	67.2	34%	0.338	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.2	178.2	-59.9	166.7	0	0	0	108.6	F184 Q185	I177-F184 CarbonylContact O-C 3.52Å; I177-F184 VanDerWaalsContact O-CA 3.26Å; I177-F184 WeakPolarHBondContact O-CA 3.39Å; I177-Q185 HydrophobicContact CB-CG 3.72Å; I177-Q185 WeakPolarHBondContact CB-O 3.45Å; I177-Q185 HydrophobicContact CD1-CG 4.22Å; I177-Q185 HydrophobicContact CG2-CG 3.94Å; I177-Q185 PolarHBondContact N-O 2.97Å; I177-Q185 PolarHBondContact O-N 3.09Å
178	H	97.8	Very high	97	Very high	114 Å²	114	65.4 Å²	65.4	53%	0.528	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.4	174.4	-175.4	-112.2	0	0	0	110.5	F184	H178-F184 HydrophobicContact CB-CD1 4.13Å; H178-F184 HydrophobicContact CB-CE1 3.91Å; H178-F184 AromaticContact CD2-CD1 3.99Å; H178-F184 AromaticContact CD2-CE1 3.45Å; H178-F184 VanDerWaalsContact CD2-CE1 3.45Å; H178-F184 WeakPolarHBondContact CD2-CE1 3.36Å; H178-F184 AromaticContact CD2-CZ 3.6Å
179	N	97.6	Very high	97.1	Very high	59 Å²	59	59.9 Å²	59.9	32%	0.316	35%	0.347	S	S	.	.			trans	-83.5	-16.4	-172.3	-66	-26.9	0	0	0	114	D181 T183 Q185	N179-D181 VanDerWaalsContact C-N 3.31Å; N179-D181 WeakPolarHBondContact CB-OD1 3.45Å; N179-T183 WeakPolarHBondContact CB-O 3.24Å; N179-T183 PolarHBondContact N-O 3.39Å; N179-T183 VanDerWaalsContact N-O 3.11Å; N179-T183 PolarHBondContact ND2-OG1 3.28Å; N179-Q185 PolarHBondContact OD1-NE2 2.91Å
180	G	96.9	Very high	97.2	Very high	58 Å²	58	54.4 Å²	54.4	60%	0.598	31%	0.314	S	S	*	.	S	Bend	trans	84.6	-1.8	-175	0	0	0	0	0	114.8
181	D	97.5	Very high	97.3	Very high	97 Å²	97	58.5 Å²	58.5	52%	0.519	33%	0.325	S	S	.	.	S	Bend	trans	-112.4	23.5	179	70	-10.5	0	0	0	112.9	N179 T183	N179-D181 VanDerWaalsContact C-N 3.31Å; N179-D181 WeakPolarHBondContact CB-OD1 3.45Å; D181-T183 VanDerWaalsContact C-N 3.27Å; D181-T183 PolarHBondContact O-N 2.81Å; D181-T183 WeakPolarHBondContact OD1-CB 3.43Å; D181-T183 PolarHBondContact OD1-N 3.02Å; D181-T183 VanDerWaalsContact OD1-N 3.1Å; D181-T183 PolarHBondContact OD1-OG1 3.09Å
182	W	97.4	Very high	97	Very high	127 Å²	127	56.6 Å²	56.6	48%	0.481	31%	0.314	S	S	.	.	S	Bend	trans	63.8	29.3	-173.8	-63.2	66.5	0	0	0	114.1	T119 Y152	T119-W182 HydrophobicContact CG2-CH2 3.8Å; T119-W182 HydrophobicContact CG2-CZ3 3.98Å; Y152-W182 WeakPolarHBondContact CD2-O 3.43Å; Y152-W182 HydrophobicContact CE2-CE3 4.08Å
183	T	98.3	Very high	96.8	Very high	18 Å²	18	55 Å²	55	11%	0.11	30%	0.304	C	S	.	.			trans	-130.1	161.3	168.2	73.5	0	0	0	0	111.6	F151 N179 D181	F151-T183 CarbonylContact O-C 3.59Å; F151-T183 WeakPolarHBondContact O-CA 3.39Å; N179-T183 WeakPolarHBondContact CB-O 3.24Å; N179-T183 PolarHBondContact N-O 3.39Å; N179-T183 VanDerWaalsContact N-O 3.11Å; N179-T183 PolarHBondContact ND2-OG1 3.28Å; D181-T183 VanDerWaalsContact C-N 3.27Å; D181-T183 PolarHBondContact O-N 2.81Å; D181-T183 WeakPolarHBondContact OD1-CB 3.43Å; D181-T183 PolarHBondContact OD1-N 3.02Å; D181-T183 VanDerWaalsContact OD1-N 3.1Å; D181-T183 PolarHBondContact OD1-OG1 3.09Å
184	F	98.6	Very high	96.4	Very high	31 Å²	31	52 Å²	52	14%	0.136	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	160.6	176.3	-64.3	-89	0	0	0	111.2	G150 F151 Y152 L176 I177 H178	G150-F184 PolarHBondContact N-O 2.92Å; F151-F184 WeakPolarHBondContact CD1-O 3.33Å; F151-F184 HydrophobicContact CD2-CB 4.04Å; F151-F184 HydrophobicContact CE1-CB 4.21Å; F151-F184 WeakPolarHBondContact CE1-O 3.12Å; F151-F184 HydrophobicContact CE2-CB 3.6Å; F151-F184 HydrophobicContact CE2-CG 4.46Å; F151-F184 HydrophobicContact CZ-CB 3.69Å; F151-F184 PolarHBondContact N-O 2.87Å; F151-F184 PolarHBondContact O-N 3.49Å; Y152-F184 HydrophobicContact CD2-CD2 4.06Å; Y152-F184 AromaticContact CD2-CE2 3.64Å; Y152-F184 HydrophobicContact CD2-CE2 3.64Å; Y152-F184 AromaticContact CE2-CE2 3.9Å; Y152-F184 HydrophobicContact CE2-CE2 3.9Å; L176-F184 HydrophobicContact CD1-CB 3.76Å; L176-F184 HydrophobicContact CD1-CD1 3.83Å; L176-F184 HydrophobicContact CD1-CG 4.01Å; L176-F184 HydrophobicContact CD2-CD1 3.68Å; L176-F184 HydrophobicContact CD2-CE1 3.77Å; L176-F184 HydrophobicContact CD2-CG 4.42Å; L176-F184 HydrophobicContact CG-CB 4.45Å; L176-F184 HydrophobicContact CG-CD1 3.6Å; L176-F184 HydrophobicContact CG-CE1 4.17Å; L176-F184 HydrophobicContact CG-CG 4.29Å; I177-F184 CarbonylContact O-C 3.52Å; I177-F184 VanDerWaalsContact O-CA 3.26Å; I177-F184 WeakPolarHBondContact O-CA 3.39Å; H178-F184 HydrophobicContact CB-CD1 4.13Å; H178-F184 HydrophobicContact CB-CE1 3.91Å; H178-F184 AromaticContact CD2-CD1 3.99Å; H178-F184 AromaticContact CD2-CE1 3.45Å; H178-F184 VanDerWaalsContact CD2-CE1 3.45Å; H178-F184 WeakPolarHBondContact CD2-CE1 3.36Å; H178-F184 AromaticContact CD2-CZ 3.6Å
185	Q	98.4	Very high	96	Very high	68 Å²	68	56.5 Å²	56.5	32%	0.318	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	157.3	168	66.4	-178.8	-57.1	0	0	111.2	V148 I177 N179	V148-Q185 CarbonylContact O-C 3.48Å; V148-Q185 VanDerWaalsContact O-CA 3.26Å; V148-Q185 WeakPolarHBondContact O-CA 3.4Å; I177-Q185 HydrophobicContact CB-CG 3.72Å; I177-Q185 WeakPolarHBondContact CB-O 3.45Å; I177-Q185 HydrophobicContact CD1-CG 4.22Å; I177-Q185 HydrophobicContact CG2-CG 3.94Å; I177-Q185 PolarHBondContact N-O 2.97Å; I177-Q185 PolarHBondContact O-N 3.09Å; N179-Q185 PolarHBondContact OD1-NE2 2.91Å
186	T	98.4	Very high	95.5	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.043	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	144.2	172.8	-175.6	0	0	0	0	109.9	V148 F151 V158 G175	V148-T186 HydrophobicContact CB-CG2 3.99Å; V148-T186 PolarHBondContact N-O 3.14Å; V148-T186 PolarHBondContact O-N 3.18Å; F151-T186 HydrophobicContact CE1-CG2 4.27Å; F151-T186 HydrophobicContact CZ-CG2 4.19Å; V158-T186 HydrophobicContact CG2-CG2 4.33Å; G175-T186 PolarHBondContact O-OG1 3.15Å
187	L	97.9	Very high	95	Very high	45 Å²	45	57.7 Å²	57.7	24%	0.236	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.1	171.4	-55.1	178.4	0	0	0	108.2	V145 S147 S173 T174	V145-L187 HydrophobicContact CG1-CB 4.4Å; V145-L187 HydrophobicContact CG1-CD2 4.25Å; S147-L187 WeakPolarHBondContact OG-CD2 3.45Å; S173-L187 WeakPolarHBondContact CA-O 3.45Å; T174-L187 HydrophobicContact CG2-CB 3.79Å; T174-L187 HydrophobicContact CG2-CD1 4.15Å; T174-L187 HydrophobicContact CG2-CG 4.19Å; T174-L187 PolarHBondContact N-O 2.73Å; T174-L187 PolarHBondContact OG1-N 2.72Å
188	V	98.2	Very high	94.7	Very high	8 Å²	8	55.6 Å²	55.6	5%	0.048	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	113.4	174.8	-174.4	0	0	0	0	108.8	C146 V158 W160 V171	C146-V188 WeakPolarHBondContact CB-O 3.45Å; C146-V188 PolarHBondContact N-O 2.86Å; C146-V188 PolarHBondContact O-N 3.16Å; V158-V188 HydrophobicContact CB-CB 4.38Å; V158-V188 HydrophobicContact CB-CG2 3.78Å; V158-V188 HydrophobicContact CG1-CB 3.79Å; V158-V188 HydrophobicContact CG1-CG1 4.22Å; V158-V188 HydrophobicContact CG1-CG2 3.69Å; V158-V188 HydrophobicContact CG2-CG2 4.28Å; W160-V188 PolarHBondContact NE1-O 3.15Å; V171-V188 HydrophobicContact CG1-CG1 3.63Å
189	M	97	Very high	94.5	Very high	32 Å²	32	52.3 Å²	52.3	16%	0.158	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138	-168.5	-60.1	162.3	-75.1	0	0	109.8	L143 L144 V145 V171 V172 T174	L143-M189 HydrophobicContact CD1-CB 3.82Å; L143-M189 HydrophobicContact CD2-CB 4.11Å; L143-M189 HydrophobicContact CD2-CG 4.2Å; L143-M189 HydrophobicContact CD2-SD 3.91Å; L143-M189 HydrophobicContact CG-CB 3.9Å; L143-M189 HydrophobicContact CG-CG 4.41Å; L144-M189 CarbonylContact O-C 3.55Å; L144-M189 WeakPolarHBondContact O-CA 3.25Å; V145-M189 HydrophobicContact CG1-CG 4.24Å; V145-M189 HydrophobicContact CG2-CG 4.21Å; V171-M189 CarbonylContact C-O 3.54Å; V171-M189 VanDerWaalsContact CA-O 3.27Å; V171-M189 WeakPolarHBondContact CA-O 3.08Å; V172-M189 HydrophobicContact CB-CE 4.2Å; V172-M189 HydrophobicContact CG1-CE 3.96Å; V172-M189 PolarHBondContact N-O 2.87Å; V172-M189 WeakPolarHBondContact O-CE 3.46Å; V172-M189 PolarHBondContact O-N 2.82Å; T174-M189 HydrophobicContact CG2-CE 4.29Å
190	L	97.1	Very high	94.4	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118	176	174.7	67.5	0	0	0	109.7	L143 L144 W160 E167 V171 T192 Y200	L143-L190 WeakPolarHBondContact CA-O 3.24Å; L144-L190 HydrophobicContact CB-CB 4.49Å; L144-L190 PolarHBondContact N-O 2.64Å; L144-L190 PolarHBondContact O-N 3.29Å; W160-L190 HydrophobicContact CB-CD2 4.24Å; W160-L190 HydrophobicContact CD2-CB 3.94Å; W160-L190 HydrophobicContact CD2-CD2 4.15Å; W160-L190 HydrophobicContact CE3-CD2 4.21Å; W160-L190 HydrophobicContact CG-CB 3.94Å; W160-L190 HydrophobicContact CG-CD2 4.2Å; W160-L190 HydrophobicContact CZ2-CB 4.37Å; E167-L190 HydrophobicContact CB-CD1 4.02Å; E167-L190 HydrophobicContact CB-CD2 4.44Å; E167-L190 HydrophobicContact CG-CD2 4.44Å; V171-L190 HydrophobicContact CG2-CD1 3.76Å; L190-T192 HydrophobicContact CD2-CG2 4.44Å; L190-T192 HydrophobicContact CG-CG2 4.41Å; L190-Y200 HydrophobicContact CD2-CD1 3.73Å; L190-Y200 HydrophobicContact CD2-CE1 3.98Å
191	E	94.9	Very high	94.5	Very high	115 Å²	115	47.6 Å²	47.6	54%	0.537	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	118.4	171	-168.4	177.3	-173.3	0	0	109.9	L143 G170	L143-E191 HydrophobicContact CD1-CB 4.19Å; G170-E191 PolarHBondContact O-N 3.42Å
192	T	91.7	Very high	94.5	Very high	12 Å²	12	43 Å²	43	7%	0.074	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	171.5	-176.9	-175	0	0	0	0	111.7	N142 L144 L190 P194 Y200	N142-T192 PolarHBondContact N-O 2.82Å; N142-T192 PolarHBondContact O-N 2.86Å; L144-T192 HydrophobicContact CD1-CG2 3.97Å; L144-T192 HydrophobicContact CG-CG2 4.17Å; L190-T192 HydrophobicContact CD2-CG2 4.44Å; L190-T192 HydrophobicContact CG-CG2 4.41Å; T192-P194 HydrophobicContact CG2-CG 4.07Å; T192-Y200 HydrophobicContact CG2-CE1 3.83Å; T192-Y200 PolarHBondContact OG1-OH 3.13Å; T192-Y200 VanDerWaalsContact OG1-OH 3.07Å
193	V	90.9	Very high	94.6	Very high	45 Å²	45	38.8 Å²	38.8	27%	0.273	21%	0.212	S	C	.	.			trans	-119.1	90.2	171.8	-178	0	0	0	0	107.6	Q139 R195	Q139-V193 VanDerWaalsContact C-CG1 3.47Å; V193-R195 PolarHBondContact O-N 2.94Å
194	P	88.4	Confident	94.6	Very high	2 Å²	2	38 Å²	38	1%	0.013	21%	0.207	C	C	.	.			trans	-64.9	133.4	-172.4	-19.8	30.8	0	0	0	112.4	L138 Q139 N142 T192 Y200 W217 A219	L138-P194 HydrophobicContact CD2-CB 4.07Å; Q139-P194 PolarHBondContact N-O 2.99Å; N142-P194 HydrophobicContact CB-CG 4.28Å; T192-P194 HydrophobicContact CG2-CG 4.07Å; P194-Y200 HydrophobicContact CB-CE2 4.24Å; P194-W217 HydrophobicContact CB-CH2 3.77Å; P194-W217 HydrophobicContact CB-CZ3 3.87Å; P194-W217 HydrophobicContact CG-CH2 3.89Å; P194-W217 HydrophobicContact CG-CZ3 4.08Å; P194-A219 HydrophobicContact CB-CB 3.94Å
195	R	86.9	Confident	94.6	Very high	160 Å²	160	39.7 Å²	39.7	60%	0.604	22%	0.215	S	C	*	.			trans	-108.6	149	174.2	-58.4	179.1	177.9	-177.9	0.2	110.7	V193 G197 E198 A219	V193-R195 PolarHBondContact O-N 2.94Å; R195-G197 PolarHBondContact O-N 3.38Å; R195-E198 HydrophobicContact CB-CG 4.07Å; R195-E198 PolarHBondContact N-OE2 2.81Å; R195-E198 WeakPolarHBondContact O-CB 3.46Å; R195-E198 WeakPolarHBondContact O-CG 3.45Å; R195-E198 PolarHBondContact O-N 2.98Å; R195-E198 VanDerWaalsContact O-N 3.11Å; R195-A219 WeakPolarHBondContact O-CB 3.19Å
196	S	86.3	Confident	94.6	Very high	82 Å²	82	37 Å²	37	57%	0.573	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	129.2	179.9	-175.3	0	0	0	0	111.1	A219	S196-A219 WeakPolarHBondContact CA-O 3.43Å
197	G	85.9	Confident	94.6	Very high	62 Å²	62	39.5 Å²	39.5	64%	0.639	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.3	-5.6	179.8	0	0	0	0	0	115	R195 A219	R195-G197 PolarHBondContact O-N 3.38Å; G197-A219 PolarHBondContact N-O 3.06Å; G197-A219 VanDerWaalsContact N-O 3.11Å
198	E	91.9	Very high	94.5	Very high	22 Å²	22	38.1 Å²	38.1	10%	0.103	21%	0.213	C	C	.	.			trans	-75.8	143.3	171	-64.1	-177.7	151.7	0	0	111.5	R162 R195 Y200 A219	R162-E198 IonicContact CZ-OE1 3.37Å; R162-E198 IonicContact CZ-OE2 3.71Å; R162-E198 IonicContact NE-OE1 3.09Å; R162-E198 PolarHBondContact NE-OE1 3.41Å; R162-E198 IonicContact NE-OE2 2.73Å; R162-E198 IonicContact NH2-OE1 2.72Å; R162-E198 PolarHBondContact NH2-OE1 2.92Å; R162-E198 IonicContact NH2-OE2 2.83Å; R162-E198 PolarHBondContact NH2-OE2 2.78Å; R162-E198 VanDerWaalsContact NH2-OE2 3.1Å; R195-E198 HydrophobicContact CB-CG 4.07Å; R195-E198 PolarHBondContact N-OE2 2.81Å; R195-E198 WeakPolarHBondContact O-CB 3.46Å; R195-E198 WeakPolarHBondContact O-CG 3.45Å; R195-E198 PolarHBondContact O-N 2.98Å; R195-E198 VanDerWaalsContact O-N 3.11Å; E198-Y200 HydrophobicContact CB-CD2 4.44Å; E198-Y200 HydrophobicContact CB-CE2 3.75Å; E198-Y200 PolarHBondContact OE2-OH 2.87Å; E198-A219 PolarHBondContact O-N 3.38Å
199	V	94.4	Very high	94.5	Very high	45 Å²	45	39 Å²	39	27%	0.273	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.6	175	-176.8	0	0	0	0	108.6	N163 E216	N163-V199 PolarHBondContact N-O 3.24Å; N163-V199 PolarHBondContact OD1-N 2.79Å; N163-V199 PolarHBondContact OD1-O 2.98Å; V199-E216 HydrophobicContact CG1-CB 4.16Å; V199-E216 HydrophobicContact CG1-CG 4.27Å
200	Y	96.2	Very high	94.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135	175.4	-65.3	-98.6	0	0	0	108.5	L144 F161 R162 L190 T192 P194 E198 E216 W217	L144-Y200 HydrophobicContact CD1-CD1 3.66Å; L144-Y200 HydrophobicContact CD1-CD2 3.88Å; L144-Y200 HydrophobicContact CD1-CE1 4.17Å; L144-Y200 HydrophobicContact CD1-CE2 4.39Å; L144-Y200 HydrophobicContact CD1-CG 3.48Å; L144-Y200 VanDerWaalsContact CD1-CG 3.48Å; F161-Y200 CarbonylContact O-C 3.46Å; F161-Y200 VanDerWaalsContact O-CA 3.28Å; F161-Y200 WeakPolarHBondContact O-CA 3.49Å; R162-Y200 HydrophobicContact CB-CD1 4.19Å; R162-Y200 HydrophobicContact CB-CE1 4.1Å; R162-Y200 HydrophobicContact CG-CD1 4.21Å; R162-Y200 HydrophobicContact CG-CE1 3.76Å; R162-Y200 PolarHBondContact NE-OH 3.31Å; R162-Y200 PolarHBondContact NH2-OH 3Å; L190-Y200 HydrophobicContact CD2-CD1 3.73Å; L190-Y200 HydrophobicContact CD2-CE1 3.98Å; T192-Y200 HydrophobicContact CG2-CE1 3.83Å; T192-Y200 PolarHBondContact OG1-OH 3.13Å; T192-Y200 VanDerWaalsContact OG1-OH 3.07Å; P194-Y200 HydrophobicContact CB-CE2 4.24Å; E198-Y200 HydrophobicContact CB-CD2 4.44Å; E198-Y200 HydrophobicContact CB-CE2 3.75Å; E198-Y200 PolarHBondContact OE2-OH 2.87Å; Y200-E216 CarbonylContact O-C 3.6Å; Y200-E216 WeakPolarHBondContact O-CA 3.42Å; Y200-W217 AromaticContact CD2-CE3 3.62Å; Y200-W217 HydrophobicContact CD2-CE3 3.62Å; Y200-W217 AromaticContact CD2-CZ3 3.65Å; Y200-W217 HydrophobicContact CD2-CZ3 3.65Å; Y200-W217 HydrophobicContact CE2-CE3 4.39Å; Y200-W217 AromaticContact CE2-CZ3 3.95Å; Y200-W217 HydrophobicContact CE2-CZ3 3.95Å; Y200-W217 HydrophobicContact CG-CE3 4.21Å; Y200-W217 PolarHBondContact N-O 2.8Å; Y200-W217 PolarHBondContact O-N 2.89Å
201	T	98	Very high	94.3	Very high	18 Å²	18	48.3 Å²	48.3	11%	0.11	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.6	-177.4	-49.2	0	0	0	0	109.1	F161 T214 V215 E216	F161-T201 PolarHBondContact N-O 3.45Å; F161-T201 PolarHBondContact O-N 3.24Å; T201-T214 HydrophobicContact CG2-CG2 4.04Å; T201-V215 WeakPolarHBondContact CA-O 3.2Å; T201-E216 HydrophobicContact CG2-CG 4.18Å
202	C	98.2	Very high	94.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	120.1	164.8	-178	0	0	0	0	108.6	V130 C146 V158 W160 T214 V215	V130-C202 HydrophobicContact CG2-CB 3.63Å; C146-C202 HydrophobicContact CB-CB 3.62Å; C146-C202 WeakPolarHBondContact CB-SG 3.42Å; C146-C202 WeakPolarHBondContact SG-CB 3.34Å; C146-C202 CovalentContact SG-SG 2.02Å; C146-C202 PolarHBondContact SG-SG 3.38Å; V158-C202 VanDerWaalsContact CG1-SG 3.59Å; W160-C202 HydrophobicContact CE3-CB 4.37Å; W160-C202 HydrophobicContact CH2-CB 4.35Å; W160-C202 HydrophobicContact CZ3-CB 4.21Å; C202-T214 WeakPolarHBondContact O-CA 3.41Å; C202-V215 PolarHBondContact N-O 2.88Å; C202-V215 PolarHBondContact O-N 3.43Å
203	Q	98.5	Very high	94.6	Very high	40 Å²	40	47.9 Å²	47.9	19%	0.187	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.5	175.8	-175.6	176.5	63.4	0	0	109.7	V158 R159 F161 P212 L213 T214	V158-Q203 CarbonylContact C-O 3.47Å; V158-Q203 WeakPolarHBondContact CA-O 3.03Å; R159-Q203 PolarHBondContact N-O 2.94Å; R159-Q203 PolarHBondContact O-N 2.71Å; F161-Q203 HydrophobicContact CD2-CB 4.08Å; F161-Q203 HydrophobicContact CE2-CB 3.69Å; F161-Q203 HydrophobicContact CE2-CG 4.4Å; F161-Q203 VanDerWaalsContact CE2-OE1 3.27Å; Q203-P212 HydrophobicContact CG-CB 3.72Å; Q203-L213 CarbonylContact C-O 3.46Å; Q203-L213 VanDerWaalsContact CA-O 3.26Å; Q203-L213 WeakPolarHBondContact CA-O 3.39Å; Q203-T214 HydrophobicContact CB-CG2 4.16Å; Q203-T214 HydrophobicContact CG-CG2 4Å
204	V	98.6	Very high	94.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	121.3	-179.4	-178.8	0	0	0	0	109.9	P126 V128 V148 I156 E157 V158 P212 L213	P126-V204 HydrophobicContact CG-CG1 4.19Å; V128-V204 HydrophobicContact CG1-CG2 4.12Å; V128-V204 HydrophobicContact CG2-CB 4.33Å; V128-V204 HydrophobicContact CG2-CG2 3.83Å; V148-V204 HydrophobicContact CG1-CG1 4.19Å; V148-V204 HydrophobicContact CG1-CG2 4.48Å; V148-V204 HydrophobicContact CG2-CG2 3.83Å; I156-V204 HydrophobicContact CD1-CG1 3.68Å; I156-V204 HydrophobicContact CG1-CG1 3.9Å; E157-V204 WeakPolarHBondContact O-CA 3.32Å; V158-V204 HydrophobicContact CG1-CG2 4.26Å; V158-V204 HydrophobicContact CG2-CG1 4.41Å; V158-V204 HydrophobicContact CG2-CG2 4.24Å; V204-P212 WeakPolarHBondContact O-CA 3.42Å; V204-L213 HydrophobicContact CB-CB 4.31Å; V204-L213 PolarHBondContact N-O 2.82Å; V204-L213 PolarHBondContact O-N 2.68Å
205	E	98.4	Very high	95.4	Very high	68 Å²	68	51.6 Å²	51.6	32%	0.318	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.3	171.6	-58.8	-177	-156.9	0	0	108.9	I156 E157 R159 P212	I156-E205 WeakPolarHBondContact CG1-O 3Å; E157-E205 HydrophobicContact CB-CB 4.26Å; E157-E205 PolarHBondContact N-O 3.12Å; E157-E205 PolarHBondContact O-N 2.91Å; R159-E205 IonicContact CZ-OE1 2.86Å; R159-E205 IonicContact NH1-OE1 3.6Å; R159-E205 PolarHBondContact NH1-OE1 3.18Å; R159-E205 IonicContact NH2-OE1 2.82Å; R159-E205 PolarHBondContact NH2-OE1 2.65Å; E205-P212 HydrophobicContact CG-CB 4.11Å; E205-P212 HydrophobicContact CG-CG 4.14Å
206	H	98.5	Very high	95.8	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.046	31%	0.309	C	S	.	.			trans	-150.3	141.2	-176.6	-179.4	-105.2	0	0	0	110.7	V124 P126 F151 Y152 P153 S155 I156 S208 V209	V124-H206 PolarHBondContact O-CE1 2.62Å; V124-H206 VanDerWaalsContact O-CE1 3.24Å; P126-H206 HydrophobicContact CG-CB 4.35Å; F151-H206 AromaticContact CD2-CD2 3.91Å; F151-H206 AromaticContact CD2-NE2 3.73Å; Y152-H206 PolarHBondContact O-CE1 3.24Å; P153-H206 PolarHBondContact O-NE2 2.9Å; S155-H206 PolarHBondContact O-CD2 3.01Å; S155-H206 VanDerWaalsContact O-CD2 3.31Å; I156-H206 HydrophobicContact CD1-CB 4.45Å; I156-H206 HydrophobicContact CG1-CB 4.23Å; H206-S208 PolarHBondContact CE1-OG 2.74Å; H206-S208 VanDerWaalsContact ND1-CB 3.27Å; H206-S208 WeakPolarHBondContact ND1-CB 3.33Å; H206-S208 PolarHBondContact ND1-N 2.96Å; H206-S208 PolarHBondContact ND1-OG 3.2Å; H206-S208 PolarHBondContact O-N 3.28Å; H206-V209 HydrophobicContact CB-CG2 4.23Å; H206-V209 WeakPolarHBondContact O-CG2 3.4Å; H206-V209 PolarHBondContact O-N 3.21Å
207	P	97.8	Very high	96.2	Very high	61 Å²	61	48.9 Å²	48.9	40%	0.396	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.2	-176.3	-27.3	35.9	0	0	0	116.2	R123 P153 S155 V209	R123-P207 WeakPolarHBondContact CD-O 3.19Å; P153-P207 HydrophobicContact CG-CG 4.45Å; S155-P207 VanDerWaalsContact O-CD 3.26Å; S155-P207 WeakPolarHBondContact O-CD 3.44Å; P207-V209 VanDerWaalsContact C-N 3.32Å
208	S	97.4	Very high	96.4	Very high	15 Å²	15	48.2 Å²	48.2	11%	0.105	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-20.3	175.1	76.7	0	0	0	0	113.6	H125 H206	H125-S208 WeakPolarHBondContact CA-OG 3.25Å; H125-S208 PolarHBondContact CE1-O 2.79Å; H125-S208 PolarHBondContact NE2-O 2.92Å; H125-S208 VanDerWaalsContact NE2-O 3.14Å; H206-S208 PolarHBondContact CE1-OG 2.74Å; H206-S208 VanDerWaalsContact ND1-CB 3.27Å; H206-S208 WeakPolarHBondContact ND1-CB 3.33Å; H206-S208 PolarHBondContact ND1-N 2.96Å; H206-S208 PolarHBondContact ND1-OG 3.2Å; H206-S208 PolarHBondContact O-N 3.28Å
209	V	96.4	Very high	95.9	Very high	26 Å²	26	47.2 Å²	47.2	16%	0.158	27%	0.272	C	S	.	.			trans	-112.3	145.1	-177	-69.2	0	0	0	0	110.7	H125 H206 P207 S211 L213	H125-V209 WeakPolarHBondContact CD2-CG1 3.37Å; H206-V209 HydrophobicContact CB-CG2 4.23Å; H206-V209 WeakPolarHBondContact O-CG2 3.4Å; H206-V209 PolarHBondContact O-N 3.21Å; P207-V209 VanDerWaalsContact C-N 3.32Å; V209-S211 WeakPolarHBondContact CG2-O 3.36Å; V209-L213 HydrophobicContact CG1-CD1 3.99Å; V209-L213 HydrophobicContact CG1-CD2 4.26Å; V209-L213 HydrophobicContact CG1-CG 4.08Å; V209-L213 HydrophobicContact CG2-CG 4.35Å
210	T	95.4	Very high	94.9	Very high	156 Å²	156	54.1 Å²	54.1	96%	0.957	29%	0.293	S	S	*	.	S	Bend	trans	-85.4	-23.2	-179.9	47.7	0	0	0	0	113.1
211	S	95.6	Very high	92.9	Very high	76 Å²	76	56.1 Å²	56.1	53%	0.531	31%	0.307	S	S	.	.	S	Bend	trans	-129.7	153.4	175	56.6	0	0	0	0	110.5	V209 L213	V209-S211 WeakPolarHBondContact CG2-O 3.36Å; S211-L213 PolarHBondContact O-N 3.36Å
212	P	96.4	Very high	91	Very high	60 Å²	60	62.1 Å²	62.1	39%	0.39	33%	0.334	S	S	.	.			trans	-60.1	130.9	178.2	-21.9	32.5	0	0	0	111.4	Q203 V204 E205	Q203-P212 HydrophobicContact CG-CB 3.72Å; V204-P212 WeakPolarHBondContact O-CA 3.42Å; E205-P212 HydrophobicContact CG-CB 4.11Å; E205-P212 HydrophobicContact CG-CG 4.14Å
213	L	97.1	Very high	88.8	Confident	57 Å²	57	64 Å²	64	30%	0.298	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	134.7	172.5	-65.1	170.5	0	0	0	108.8	P126 V128 Q203 V204 V209 S211	P126-L213 HydrophobicContact CG-CD1 3.63Å; V128-L213 HydrophobicContact CG2-CD1 4.28Å; Q203-L213 CarbonylContact C-O 3.46Å; Q203-L213 VanDerWaalsContact CA-O 3.26Å; Q203-L213 WeakPolarHBondContact CA-O 3.39Å; V204-L213 HydrophobicContact CB-CB 4.31Å; V204-L213 PolarHBondContact N-O 2.82Å; V204-L213 PolarHBondContact O-N 2.68Å; V209-L213 HydrophobicContact CG1-CD1 3.99Å; V209-L213 HydrophobicContact CG1-CD2 4.26Å; V209-L213 HydrophobicContact CG1-CG 4.08Å; V209-L213 HydrophobicContact CG2-CG 4.35Å; S211-L213 PolarHBondContact O-N 3.36Å
214	T	97.2	Very high	86.7	Confident	82 Å²	82	65 Å²	65	50%	0.503	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.3	177.7	49.5	0	0	0	0	109.9	T201 C202 Q203	T201-T214 HydrophobicContact CG2-CG2 4.04Å; C202-T214 WeakPolarHBondContact O-CA 3.41Å; Q203-T214 HydrophobicContact CB-CG2 4.16Å; Q203-T214 HydrophobicContact CG-CG2 4Å
215	V	97.6	Very high	84.5	Confident	43 Å²	43	71.2 Å²	71.2	26%	0.261	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.2	174.9	179.9	0	0	0	0	108.3	V128 V130 T201 C202	V128-V215 HydrophobicContact CB-CG2 3.79Å; V128-V215 HydrophobicContact CG1-CB 4.09Å; V128-V215 HydrophobicContact CG1-CG2 3.58Å; V130-V215 HydrophobicContact CB-CG1 4.03Å; V130-V215 HydrophobicContact CG2-CB 3.87Å; V130-V215 HydrophobicContact CG2-CG1 3.66Å; T201-V215 WeakPolarHBondContact CA-O 3.2Å; C202-V215 PolarHBondContact N-O 2.88Å; C202-V215 PolarHBondContact O-N 3.43Å
216	E	96.2	Very high	82.5	Confident	138 Å²	138	71.3 Å²	71.3	65%	0.645	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.7	-177.2	-62	-173.4	164.4	0	0	111.9	V199 Y200 T201	V199-E216 HydrophobicContact CG1-CB 4.16Å; V199-E216 HydrophobicContact CG1-CG 4.27Å; Y200-E216 CarbonylContact O-C 3.6Å; Y200-E216 WeakPolarHBondContact O-CA 3.42Å; T201-E216 HydrophobicContact CG2-CG 4.18Å
217	W	94.3	Very high	80.7	Confident	48 Å²	48	79.7 Å²	79.7	18%	0.182	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.4	167	178.8	89.7	0	0	0	108.7	V130 L144 P194 Y200 A219	V130-W217 HydrophobicContact CB-CB 4.39Å; V130-W217 HydrophobicContact CG1-CB 3.58Å; V130-W217 HydrophobicContact CG1-CG 4.23Å; L144-W217 HydrophobicContact CD1-CD2 4.4Å; L144-W217 HydrophobicContact CD1-CE3 3.66Å; L144-W217 HydrophobicContact CD1-CZ3 3.85Å; L144-W217 HydrophobicContact CD2-CD2 3.76Å; L144-W217 HydrophobicContact CD2-CE3 3.72Å; L144-W217 HydrophobicContact CD2-CG 4.44Å; L144-W217 HydrophobicContact CD2-CH2 3.97Å; L144-W217 HydrophobicContact CD2-CZ2 4Å; L144-W217 HydrophobicContact CD2-CZ3 3.82Å; L144-W217 HydrophobicContact CG-CE3 4.37Å; L144-W217 HydrophobicContact CG-CZ3 4.44Å; P194-W217 HydrophobicContact CB-CH2 3.77Å; P194-W217 HydrophobicContact CB-CZ3 3.87Å; P194-W217 HydrophobicContact CG-CH2 3.89Å; P194-W217 HydrophobicContact CG-CZ3 4.08Å; Y200-W217 AromaticContact CD2-CE3 3.62Å; Y200-W217 HydrophobicContact CD2-CE3 3.62Å; Y200-W217 AromaticContact CD2-CZ3 3.65Å; Y200-W217 HydrophobicContact CD2-CZ3 3.65Å; Y200-W217 HydrophobicContact CE2-CE3 4.39Å; Y200-W217 AromaticContact CE2-CZ3 3.95Å; Y200-W217 HydrophobicContact CE2-CZ3 3.95Å; Y200-W217 HydrophobicContact CG-CE3 4.21Å; Y200-W217 PolarHBondContact N-O 2.8Å; Y200-W217 PolarHBondContact O-N 2.89Å; W217-A219 HydrophobicContact CH2-CB 3.89Å; W217-A219 HydrophobicContact CZ3-CB 3.81Å
218	S	90.1	Very high	78.8	Confident	47 Å²	47	83.8 Å²	83.8	33%	0.329	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.4	180	55.4	0	0	0	0	110.6	R220	S218-R220 PolarHBondContact O-N 3.33Å; S218-R220 PolarHBondContact OG-NE 2.89Å
219	A	82.2	Confident	77	Confident	2 Å²	2	89 Å²	89	2%	0.017	47%	0.472	C	S	.	.			trans	-73.7	81.5	172.1	0	0	0	0	0	109.1	L138 P194 R195 S196 G197 E198 W217	L138-A219 HydrophobicContact CD2-CB 3.88Å; P194-A219 HydrophobicContact CB-CB 3.94Å; R195-A219 WeakPolarHBondContact O-CB 3.19Å; S196-A219 WeakPolarHBondContact CA-O 3.43Å; G197-A219 PolarHBondContact N-O 3.06Å; G197-A219 VanDerWaalsContact N-O 3.11Å; E198-A219 PolarHBondContact O-N 3.38Å; W217-A219 HydrophobicContact CH2-CB 3.89Å; W217-A219 HydrophobicContact CZ3-CB 3.81Å
220	R	72.3	Confident	75.8	Confident	189 Å²	189	92 Å²	92	71%	0.713	49%	0.494	S	S	*	.			trans	-84.8	134	172.9	-68.3	-176.7	-172.9	-172.1	-0.5	109.6	S218 E222	S218-R220 PolarHBondContact O-N 3.33Å; S218-R220 PolarHBondContact OG-NE 2.89Å; R220-E222 PolarHBondContact O-N 2.94Å
221	S	55.5	Low	74.8	Confident	43 Å²	43	86.8 Å²	86.8	30%	0.301	47%	0.471	S	S	.	.			trans	-65.4	124.4	169.1	178.4	0	0	0	0	109.5	S223 A224	S221-S223 PolarHBondContact O-N 3.37Å; S221-S223 VanDerWaalsContact OG-CB 3.26Å; S221-S223 WeakPolarHBondContact OG-CB 3.41Å; S221-S223 PolarHBondContact OG-N 3.17Å; S221-A224 WeakPolarHBondContact O-CB 3.29Å; S221-A224 PolarHBondContact O-N 3.47Å
222	E	57	Low	74	Confident	144 Å²	144	87.7 Å²	87.7	67%	0.673	47%	0.473	S	S	*	.	H	α-helix	trans	-52.6	-27.5	169.8	-76.5	-170	154.8	0	0	111.7	R220 A224 Q225 S226	R220-E222 PolarHBondContact O-N 2.94Å; E222-A224 PolarHBondContact O-N 3.43Å; E222-Q225 PolarHBondContact O-N 3.11Å; E222-S226 PolarHBondContact O-N 3Å; E222-S226 PolarHBondContact O-OG 3.45Å
223	S	53.3	Low	73.2	Confident	39 Å²	39	86.5 Å²	86.5	27%	0.273	47%	0.472	S	S	.	.	H	α-helix	trans	-62.4	-26	175.2	-178.8	0	0	0	0	113.4	S221 R227	S221-S223 PolarHBondContact O-N 3.37Å; S221-S223 VanDerWaalsContact OG-CB 3.26Å; S221-S223 WeakPolarHBondContact OG-CB 3.41Å; S221-S223 PolarHBondContact OG-N 3.17Å; S223-R227 VanDerWaalsContact O-CB 3.3Å; S223-R227 WeakPolarHBondContact O-CB 3.23Å; S223-R227 VanDerWaalsContact O-CD 3.31Å; S223-R227 WeakPolarHBondContact O-CD 3.39Å; S223-R227 WeakPolarHBondContact O-CG 3.19Å; S223-R227 PolarHBondContact O-N 2.67Å; S223-R227 PolarHBondContact OG-NE 3.28Å; S223-R227 PolarHBondContact OG-NH2 2.68Å
224	A	52.9	Low	72.6	Confident	61 Å²	61	86 Å²	86	50%	0.504	48%	0.48	S	S	.	.	H	α-helix	trans	-77.5	-39	177.3	0	0	0	0	0	111.1	S221 E222 M228	S221-A224 WeakPolarHBondContact O-CB 3.29Å; S221-A224 PolarHBondContact O-N 3.47Å; E222-A224 PolarHBondContact O-N 3.43Å; A224-M228 PolarHBondContact O-N 2.83Å; A224-M228 VanDerWaalsContact O-N 3.15Å
225	Q	52.1	Low	72.1	Confident	130 Å²	130	88.9 Å²	88.9	61%	0.607	49%	0.486	S	S	*	.	H	α-helix	trans	-74.3	-39.1	-179.5	-166.2	168.1	-6.6	0	0	112	E222 M228 L229	E222-Q225 PolarHBondContact O-N 3.11Å; Q225-M228 PolarHBondContact O-N 2.93Å; Q225-L229 HydrophobicContact CG-CD1 4.34Å; Q225-L229 PolarHBondContact O-N 2.81Å; Q225-L229 VanDerWaalsContact O-N 3.12Å
226	S	57.4	Low	71.7	Confident	70 Å²	70	90.5 Å²	90.5	49%	0.49	50%	0.496	S	S	.	.	H	α-helix	trans	-70.5	-36.7	176.9	77.7	0	0	0	0	113	E222 L229 S230	E222-S226 PolarHBondContact O-N 3Å; E222-S226 PolarHBondContact O-OG 3.45Å; S226-L229 PolarHBondContact O-N 2.03Å; S226-S230 WeakPolarHBondContact O-CB 3.48Å; S226-S230 PolarHBondContact O-N 2.83Å
227	R	59.7	Low	71.5	Confident	186 Å²	186	88.7 Å²	88.7	70%	0.702	49%	0.49	S	S	*	.	H	α-helix	trans	-67.8	-37.7	174.5	-72.6	178	-162.6	-174.9	9.5	112.1	S223 G231	S223-R227 VanDerWaalsContact O-CB 3.3Å; S223-R227 WeakPolarHBondContact O-CB 3.23Å; S223-R227 VanDerWaalsContact O-CD 3.31Å; S223-R227 WeakPolarHBondContact O-CD 3.39Å; S223-R227 WeakPolarHBondContact O-CG 3.19Å; S223-R227 PolarHBondContact O-N 2.67Å; S223-R227 PolarHBondContact OG-NE 3.28Å; S223-R227 PolarHBondContact OG-NH2 2.68Å; R227-G231 PolarHBondContact O-N 2.95Å
228	M	57.9	Low	71.3	Confident	148 Å²	148	88 Å²	88	73%	0.729	50%	0.498	S	S	*	.	H	α-helix	trans	-63.2	-45.8	173.5	-98.8	-175.4	143.4	0	0	112.2	A224 Q225 G231 V232	A224-M228 PolarHBondContact O-N 2.83Å; A224-M228 VanDerWaalsContact O-N 3.15Å; Q225-M228 PolarHBondContact O-N 2.93Å; M228-G231 PolarHBondContact O-N 3Å; M228-V232 WeakPolarHBondContact O-CG2 3.49Å; M228-V232 PolarHBondContact O-N 3.43Å
229	L	61.1	Low	71.5	Confident	125 Å²	125	90.3 Å²	90.3	65%	0.654	51%	0.506	S	S	*	.	H	α-helix	trans	-65	-39.8	179	-84.3	153.7	0	0	0	112.7	Q225 S226 G233	Q225-L229 HydrophobicContact CG-CD1 4.34Å; Q225-L229 PolarHBondContact O-N 2.81Å; Q225-L229 VanDerWaalsContact O-N 3.12Å; S226-L229 PolarHBondContact O-N 2.03Å; L229-G233 PolarHBondContact O-N 3.21Å; L229-G233 VanDerWaalsContact O-N 3.08Å
230	S	70.9	Confident	72	Confident	89 Å²	89	95.9 Å²	95.9	62%	0.622	54%	0.535	S	S	*	.	H	α-helix	trans	-67.3	-39.9	174.9	-177.4	0	0	0	0	112.3	S226 G233 G234	S226-S230 WeakPolarHBondContact O-CB 3.48Å; S226-S230 PolarHBondContact O-N 2.83Å; S230-G233 PolarHBondContact O-N 2.95Å; S230-G234 PolarHBondContact O-N 3.48Å
231	G	73.8	Confident	73	Confident	46 Å²	46	94.4 Å²	94.4	47%	0.474	53%	0.534	S	S	.	.	H	α-helix	trans	-64.2	-42.6	176.5	0	0	0	0	0	113.3	R227 M228 G234 F235	R227-G231 PolarHBondContact O-N 2.95Å; M228-G231 PolarHBondContact O-N 3Å; G231-G234 PolarHBondContact O-N 3.17Å; G231-F235 WeakPolarHBondContact O-CB 3.22Å; G231-F235 PolarHBondContact O-N 3.05Å
232	V	79.3	Confident	74.7	Confident	95 Å²	95	97.6 Å²	97.6	58%	0.576	55%	0.547	S	S	*	.	H	α-helix	trans	-64.8	-42.5	175.3	173	0	0	0	0	111	M228 G234 F235 V236	M228-V232 WeakPolarHBondContact O-CG2 3.49Å; M228-V232 PolarHBondContact O-N 3.43Å; V232-G234 PolarHBondContact O-N 2.81Å; V232-F235 PolarHBondContact O-N 2.91Å; V232-V236 HydrophobicContact CG1-CG2 4.49Å; V232-V236 WeakPolarHBondContact O-CG2 3.41Å; V232-V236 PolarHBondContact O-N 3.37Å
233	G	78.3	Confident	76.4	Confident	35 Å²	35	92.8 Å²	92.8	36%	0.361	54%	0.536	S	S	.	.	H	α-helix	trans	-59.1	-44.5	175.3	0	0	0	0	0	112.9	L229 S230 L237	L229-G233 PolarHBondContact O-N 3.21Å; L229-G233 VanDerWaalsContact O-N 3.08Å; S230-G233 PolarHBondContact O-N 2.95Å; G233-L237 PolarHBondContact O-N 3.4Å; G233-L237 VanDerWaalsContact O-N 3.16Å
234	G	84.8	Confident	78.3	Confident	45 Å²	45	93.3 Å²	93.3	46%	0.464	54%	0.543	S	S	.	.	H	α-helix	trans	-65.1	-38.9	176.6	0	0	0	0	0	113.5	S230 G231 V232 L237 G238	S230-G234 PolarHBondContact O-N 3.48Å; G231-G234 PolarHBondContact O-N 3.17Å; V232-G234 PolarHBondContact O-N 2.81Å; G234-L237 PolarHBondContact O-N 3.44Å; G234-G238 PolarHBondContact O-N 3.43Å
235	F	86.8	Confident	80	Confident	144 Å²	144	92.3 Å²	92.3	63%	0.632	54%	0.539	S	S	*	.	H	α-helix	trans	-66.8	-42.1	178.7	-172.4	-102.8	0	0	0	112.5	G231 V232 G238 L239	G231-F235 WeakPolarHBondContact O-CB 3.22Å; G231-F235 PolarHBondContact O-N 3.05Å; V232-F235 PolarHBondContact O-N 2.91Å; F235-G238 PolarHBondContact O-N 2.88Å; F235-L239 HydrophobicContact CD1-CD1 3.91Å; F235-L239 HydrophobicContact CD1-CG 4.43Å; F235-L239 HydrophobicContact CE1-CD1 3.47Å; F235-L239 VanDerWaalsContact CE1-CD1 3.47Å; F235-L239 HydrophobicContact CE1-CG 4.11Å; F235-L239 HydrophobicContact CZ-CD1 4.07Å; F235-L239 HydrophobicContact CZ-CG 4.34Å; F235-L239 PolarHBondContact O-N 3.47Å
236	V	90.6	Very high	81.8	Confident	77 Å²	77	90.7 Å²	90.7	47%	0.467	53%	0.533	S	S	.	.	H	α-helix	trans	-63.9	-43.9	176.5	173.8	0	0	0	0	111.1	V232 G238 L239 L240	V232-V236 HydrophobicContact CG1-CG2 4.49Å; V232-V236 WeakPolarHBondContact O-CG2 3.41Å; V232-V236 PolarHBondContact O-N 3.37Å; V236-G238 VanDerWaalsContact C-N 3.34Å; V236-G238 PolarHBondContact O-N 2.86Å; V236-L239 PolarHBondContact O-N 2.99Å; V236-L240 HydrophobicContact CG1-CD1 4.43Å; V236-L240 WeakPolarHBondContact O-CG 3.34Å; V236-L240 PolarHBondContact O-N 3.31Å; V236-L240 VanDerWaalsContact O-N 3.13Å
237	L	91.4	Very high	83.2	Confident	99 Å²	99	93.5 Å²	93.5	52%	0.518	54%	0.537	S	S	.	.	H	α-helix	trans	-59.7	-44.2	173.7	-84.9	158.3	0	0	0	111.6	G233 G234 L239 L240 F241	G233-L237 PolarHBondContact O-N 3.4Å; G233-L237 VanDerWaalsContact O-N 3.16Å; G234-L237 PolarHBondContact O-N 3.44Å; L237-L239 PolarHBondContact O-N 3.27Å; L237-L240 PolarHBondContact O-N 3.18Å; L237-F241 HydrophobicContact CD2-CE2 4.33Å; L237-F241 WeakPolarHBondContact O-CD2 3.48Å; L237-F241 PolarHBondContact O-N 3.43Å; L237-F241 VanDerWaalsContact O-N 3.15Å
238	G	90.6	Very high	84.5	Confident	34 Å²	34	90 Å²	90	35%	0.351	53%	0.531	S	S	.	.	H	α-helix	trans	-59.6	-43.9	177.1	0	0	0	0	0	113.5	G234 F235 V236 L240 F241 L242	G234-G238 PolarHBondContact O-N 3.43Å; F235-G238 PolarHBondContact O-N 2.88Å; V236-G238 VanDerWaalsContact C-N 3.34Å; V236-G238 PolarHBondContact O-N 2.86Å; G238-L240 PolarHBondContact O-N 3.48Å; G238-F241 PolarHBondContact O-N 3.33Å; G238-L242 WeakPolarHBondContact O-CB 3.45Å; G238-L242 PolarHBondContact O-N 3.02Å
239	L	93.9	Very high	85.8	Confident	95 Å²	95	89.5 Å²	89.5	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-64.5	-37.3	176.9	-75.2	176.4	0	0	0	112.8	F235 V236 L237 L242 G243	F235-L239 HydrophobicContact CD1-CD1 3.91Å; F235-L239 HydrophobicContact CD1-CG 4.43Å; F235-L239 HydrophobicContact CE1-CD1 3.47Å; F235-L239 VanDerWaalsContact CE1-CD1 3.47Å; F235-L239 HydrophobicContact CE1-CG 4.11Å; F235-L239 HydrophobicContact CZ-CD1 4.07Å; F235-L239 HydrophobicContact CZ-CG 4.34Å; F235-L239 PolarHBondContact O-N 3.47Å; V236-L239 PolarHBondContact O-N 2.99Å; L237-L239 PolarHBondContact O-N 3.27Å; L239-L242 PolarHBondContact O-N 3.01Å; L239-G243 PolarHBondContact O-N 3.4Å
240	L	93.2	Very high	86.7	Confident	120 Å²	120	89 Å²	89	63%	0.628	52%	0.515	S	S	*	.	H	α-helix	trans	-63.7	-44.9	176.3	-73	170.3	0	0	0	111.6	V236 L237 G238 G243 A244	V236-L240 HydrophobicContact CG1-CD1 4.43Å; V236-L240 WeakPolarHBondContact O-CG 3.34Å; V236-L240 PolarHBondContact O-N 3.31Å; V236-L240 VanDerWaalsContact O-N 3.13Å; L237-L240 PolarHBondContact O-N 3.18Å; G238-L240 PolarHBondContact O-N 3.48Å; L240-G243 PolarHBondContact O-N 3.31Å; L240-A244 WeakPolarHBondContact O-CB 3.43Å; L240-A244 PolarHBondContact O-N 3.12Å
241	F	92.1	Very high	87.1	Confident	157 Å²	157	93.4 Å²	93.4	69%	0.689	52%	0.518	S	S	*	.	H	α-helix	trans	-65.8	-40	176.5	-77.3	-67.6	0	0	0	112.4	L237 G238 A244 G245	L237-F241 HydrophobicContact CD2-CE2 4.33Å; L237-F241 WeakPolarHBondContact O-CD2 3.48Å; L237-F241 PolarHBondContact O-N 3.43Å; L237-F241 VanDerWaalsContact O-N 3.15Å; G238-F241 PolarHBondContact O-N 3.33Å; F241-A244 PolarHBondContact O-N 2.93Å; F241-G245 PolarHBondContact O-N 3.49Å
242	L	92.6	Very high	87	Confident	111 Å²	111	97.1 Å²	97.1	58%	0.581	53%	0.527	S	S	*	.	H	α-helix	trans	-62	-45.8	174.5	-103.5	155.8	0	0	0	112.1	G238 L239 G245 L246	G238-L242 WeakPolarHBondContact O-CB 3.45Å; G238-L242 PolarHBondContact O-N 3.02Å; L239-L242 PolarHBondContact O-N 3.01Å; L242-G245 PolarHBondContact O-N 3.44Å; L242-L246 WeakPolarHBondContact O-CB 3.24Å; L242-L246 PolarHBondContact O-N 3.37Å
243	G	91.9	Very high	86.4	Confident	42 Å²	42	97.7 Å²	97.7	43%	0.433	52%	0.523	S	S	.	.	H	α-helix	trans	-61.7	-45.1	177	0	0	0	0	0	112.5	L239 L240 L246 F247	L239-G243 PolarHBondContact O-N 3.4Å; L240-G243 PolarHBondContact O-N 3.31Å; G243-L246 PolarHBondContact O-N 3.11Å; G243-F247 WeakPolarHBondContact O-CB 3.45Å; G243-F247 PolarHBondContact O-N 3.36Å
244	A	92	Very high	85.4	Confident	51 Å²	51	105 Å²	105	42%	0.421	55%	0.545	S	S	.	.	H	α-helix	trans	-63.2	-43.1	175.8	0	0	0	0	0	112.1	L240 F241 F247 I248	L240-A244 WeakPolarHBondContact O-CB 3.43Å; L240-A244 PolarHBondContact O-N 3.12Å; F241-A244 PolarHBondContact O-N 2.93Å; A244-F247 PolarHBondContact O-N 3.03Å; A244-I248 WeakPolarHBondContact O-CG1 3.5Å; A244-I248 PolarHBondContact O-N 3.4Å
245	G	90.3	Very high	84	Confident	40 Å²	40	105.6 Å²	105.6	41%	0.412	55%	0.551	S	S	.	*	H	α-helix	trans	-61.3	-46.1	176.2	0	0	0	0	0	112.6	F241 L242 F247 I248 Y249	F241-G245 PolarHBondContact O-N 3.49Å; L242-G245 PolarHBondContact O-N 3.44Å; G245-F247 VanDerWaalsContact C-N 3.35Å; G245-F247 PolarHBondContact O-N 3.16Å; G245-I248 PolarHBondContact O-N 3.14Å; G245-Y249 WeakPolarHBondContact O-CB 3.49Å; G245-Y249 PolarHBondContact O-N 2.65Å
246	L	90	Very high	82.2	Confident	95 Å²	95	106.8 Å²	106.8	50%	0.497	56%	0.558	S	S	.	*	H	α-helix	trans	-60.6	-44	175.1	-117	84.2	0	0	0	111.5	L242 G243 I248 Y249 F250	L242-L246 WeakPolarHBondContact O-CB 3.24Å; L242-L246 PolarHBondContact O-N 3.37Å; G243-L246 PolarHBondContact O-N 3.11Å; L246-I248 PolarHBondContact O-N 2.96Å; L246-Y249 PolarHBondContact O-N 3.36Å; L246-F250 HydrophobicContact CB-CD2 4.45Å; L246-F250 HydrophobicContact CD2-CD2 4.4Å; L246-F250 HydrophobicContact CD2-CE2 3.73Å; L246-F250 HydrophobicContact CG-CD2 4.32Å; L246-F250 HydrophobicContact CG-CE2 3.93Å; L246-F250 WeakPolarHBondContact O-CD2 3.42Å; L246-F250 PolarHBondContact O-N 3.26Å
247	F	86.8	Confident	80.1	Confident	129 Å²	129	108.7 Å²	108.7	57%	0.566	58%	0.575	S	S	*	*	H	α-helix	trans	-61.8	-43.4	179.9	-178.5	-98.8	0	0	0	112.2	G243 A244 G245 R251	G243-F247 WeakPolarHBondContact O-CB 3.45Å; G243-F247 PolarHBondContact O-N 3.36Å; A244-F247 PolarHBondContact O-N 3.03Å; G245-F247 VanDerWaalsContact C-N 3.35Å; G245-F247 PolarHBondContact O-N 3.16Å; F247-R251 HydrophobicContact CE1-CG 4.39Å; F247-R251 HydrophobicContact CZ-CG 4.45Å; F247-R251 WeakPolarHBondContact O-CB 3.5Å; F247-R251 PolarHBondContact O-N 3.35Å
248	I	85.6	Confident	77.7	Confident	113 Å²	113	107.4 Å²	107.4	58%	0.579	59%	0.586	S	S	*	*	H	α-helix	trans	-64.6	-45.5	175.3	-66.7	169.5	0	0	0	110.4	A244 G245 L246 F250 R251 N252	A244-I248 WeakPolarHBondContact O-CG1 3.5Å; A244-I248 PolarHBondContact O-N 3.4Å; G245-I248 PolarHBondContact O-N 3.14Å; L246-I248 PolarHBondContact O-N 2.96Å; I248-F250 PolarHBondContact O-N 3.31Å; I248-R251 PolarHBondContact O-N 3.19Å; I248-N252 PolarHBondContact O-N 3.04Å
249	Y	86.4	Confident	75.6	Confident	137 Å²	137	114.3 Å²	114.3	54%	0.537	61%	0.614	S	S	.	*	H	α-helix	trans	-58.1	-48	178.6	177.8	-98.6	0	0	0	112.4	G245 L246 R251 N252 Q253	G245-Y249 WeakPolarHBondContact O-CB 3.49Å; G245-Y249 PolarHBondContact O-N 2.65Å; L246-Y249 PolarHBondContact O-N 3.36Å; Y249-R251 PolarHBondContact O-N 2.91Å; Y249-N252 PolarHBondContact O-N 3.47Å; Y249-N252 VanDerWaalsContact O-N 3.16Å; Y249-Q253 HydrophobicContact CE1-CG 4.24Å; Y249-Q253 PolarHBondContact O-N 3.15Å; Y249-Q253 PolarHBondContact OH-NE2 3.09Å
250	F	79.7	Confident	73	Confident	115 Å²	115	118.3 Å²	118.3	50%	0.504	63%	0.63	S	S	.	*	H	α-helix	trans	-68.3	-33.5	178	-79.1	-63.4	0	0	0	113.4	L246 I248 N252 K254	L246-F250 HydrophobicContact CB-CD2 4.45Å; L246-F250 HydrophobicContact CD2-CD2 4.4Å; L246-F250 HydrophobicContact CD2-CE2 3.73Å; L246-F250 HydrophobicContact CG-CD2 4.32Å; L246-F250 HydrophobicContact CG-CE2 3.93Å; L246-F250 WeakPolarHBondContact O-CD2 3.42Å; L246-F250 PolarHBondContact O-N 3.26Å; I248-F250 PolarHBondContact O-N 3.31Å; F250-N252 VanDerWaalsContact C-N 3.29Å; F250-K254 PolarHBondContact O-N 2.99Å
251	R	78.8	Confident	70.9	Confident	181 Å²	181	118.3 Å²	118.3	68%	0.683	64%	0.637	S	S	*	*	H	α-helix	trans	-63.3	-37.3	170.4	-92.6	-174.7	66.5	153.7	-1.5	111.9	F247 I248 Y249 K254	F247-R251 HydrophobicContact CE1-CG 4.39Å; F247-R251 HydrophobicContact CZ-CG 4.45Å; F247-R251 WeakPolarHBondContact O-CB 3.5Å; F247-R251 PolarHBondContact O-N 3.35Å; I248-R251 PolarHBondContact O-N 3.19Å; Y249-R251 PolarHBondContact O-N 2.91Å; R251-K254 PolarHBondContact O-N 3.11Å
252	N	71.3	Confident	68.5	Low	124 Å²	124	117.5 Å²	117.5	66%	0.663	65%	0.646	S	S	*	*	H	α-helix	trans	-73.6	-35.6	-179	-139.9	17.5	0	0	0	112	I248 Y249 F250 K254 G255	I248-N252 PolarHBondContact O-N 3.04Å; Y249-N252 PolarHBondContact O-N 3.47Å; Y249-N252 VanDerWaalsContact O-N 3.16Å; F250-N252 VanDerWaalsContact C-N 3.29Å; N252-K254 VanDerWaalsContact C-N 3.33Å; N252-K254 PolarHBondContact O-N 2.68Å; N252-G255 PolarHBondContact O-N 2.97Å
253	Q	66.6	Low	66	Low	108 Å²	108	115.9 Å²	115.9	51%	0.505	66%	0.655	S	S	.	*	H	α-helix	trans	-66.4	-30.5	173.7	-77.1	-160.9	-30.5	0	0	113.6	Y249 G255	Y249-Q253 HydrophobicContact CE1-CG 4.24Å; Y249-Q253 PolarHBondContact O-N 3.15Å; Y249-Q253 PolarHBondContact OH-NE2 3.09Å; Q253-G255 PolarHBondContact O-N 3.48Å
254	K	58	Low	63.7	Low	187 Å²	187	123.5 Å²	123.5	81%	0.813	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-6.9	175.1	-80	-176.5	177	-179.7	0	114.3	F250 R251 N252	F250-K254 PolarHBondContact O-N 2.99Å; R251-K254 PolarHBondContact O-N 3.11Å; N252-K254 VanDerWaalsContact C-N 3.33Å; N252-K254 PolarHBondContact O-N 2.68Å
255	G	54.7	Low	61.3	Low	58 Å²	58	129 Å²	129	60%	0.598	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	4	179.7	0	0	0	0	0	116	N252 Q253	N252-G255 PolarHBondContact O-N 2.97Å; Q253-G255 PolarHBondContact O-N 3.48Å
256	H	50.8	Low	59.1	Low	169 Å²	169	136.2 Å²	136.2	78%	0.782	74%	0.743	S	S	*	*			trans	-121.9	16	-173.2	-91.8	54.7	0	0	0	115.8	G258	H256-G258 PolarHBondContact O-N 3.03Å
257	S	45.4	Very low	57.5	Low	117 Å²	117	138.3 Å²	138.3	82%	0.818	76%	0.755	S	S	*	*			trans	-89.7	80.3	166.7	-54.2	0	0	0	0	109.9
258	G	41.5	Very low	56	Low	73 Å²	73	138.8 Å²	138.8	75%	0.753	77%	0.765	S	S	*	*			trans	-69.5	136.6	-179.6	0	0	0	0	0	114.1	H256	H256-G258 PolarHBondContact O-N 3.03Å
259	L	45.4	Very low	54.3	Low	179 Å²	179	140.2 Å²	140.2	94%	0.937	78%	0.775	S	S	*	*			trans	-66.3	133.7	159.8	-95.5	121.2	0	0	0	110.1
260	Q	41	Very low	52.5	Low	178 Å²	178	140.4 Å²	140.4	83%	0.832	79%	0.789	S	S	*	*			trans	-104.7	127.3	171	-165.1	-177	2.2	0	0	109.4
261	P	47.7	Very low	50.7	Low	120 Å²	120	142 Å²	142	78%	0.779	81%	0.807	S	S	*	*			trans	-94.4	128.2	166.6	25.3	-12.7	0	0	0	110.6
262	T	43.1	Very low	48.9	Very low	141 Å²	141	139.4 Å²	139.4	87%	0.865	82%	0.815	S	S	*	*			trans	-82.2	112.3	168.5	29.1	0	0	0	0	110
263	G	39.2	Very low	47.3	Very low	76 Å²	76	140.5 Å²	140.5	78%	0.784	83%	0.826	S	S	*	*			trans	-97.4	133.2	166.4	0	0	0	0	0	111.1
264	F	44.1	Very low	45.8	Very low	202 Å²	202	143 Å²	143	89%	0.886	85%	0.851	S	S	*	*			trans	-58.4	144.1	165.4	-92	-101.3	0	0	0	112.2
265	L	40.1	Very low	44.8	Very low	167 Å²	167	139.3 Å²	139.3	87%	0.874	85%	0.854	S	S	*	*				171.9	138.6	115.6	-91.4	166.3	0	0	0	112.9
266	S	44.4	Very low	43.9	Very low	192 Å²	192	146.7 Å²	146.7	100%	1.343	88%	0.878	S	S	*	*			trans	78.8	0	161.3	-146.3	0	0	0	0	121.1

Retrieved 266 of 266 residues in 54 ms (Link to these results)

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