A0A3Q0KNP0_SCHMA Loading...

MANSC domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNP0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 637 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	50.3	Low	72.4	Confident	245 Å²	245	130.9 Å²	130.9	100%	1.207	65%	0.653	S	S	*	*				0	128.2	0	-68.4	137.7	163.8	0	0	108.3
2	K	61.4	Low	73.2	Confident	213 Å²	213	130.3 Å²	130.3	93%	0.926	65%	0.647	S	S	*	*			trans	-94.8	122.9	172.5	-69.6	-177.1	178.3	-179.6	0	107.7
3	N	63.9	Low	73.8	Confident	97 Å²	97	127.8 Å²	127.8	52%	0.519	64%	0.637	S	S	.	*			trans	-77.3	119.7	-167.5	-170.3	-14.9	0	0	0	110.6	I5 F6	N3-I5 PolarHBondContact O-N 2.72Å; N3-I5 VanDerWaalsContact O-N 3.14Å; N3-I5 WeakPolarHBondContact OD1-CG1 3.44Å; N3-I5 PolarHBondContact OD1-N 3.45Å; N3-F6 PolarHBondContact O-N 3.2Å; N3-F6 VanDerWaalsContact O-N 3.1Å
4	P	74.7	Confident	74.4	Confident	96 Å²	96	124.4 Å²	124.4	62%	0.623	63%	0.626	S	S	*	*	H	α-helix	trans	-60.2	-27.5	-174.3	23.3	-34.7	0	0	0	113.5	F6 L7 T8	P4-F6 PolarHBondContact O-N 3.27Å; P4-L7 PolarHBondContact O-N 3.1Å; P4-L7 VanDerWaalsContact O-N 3.11Å; P4-T8 PolarHBondContact O-N 3.46Å
5	I	74.4	Confident	74.9	Confident	101 Å²	101	120.6 Å²	120.6	52%	0.518	61%	0.611	S	S	.	*	H	α-helix	trans	-57.1	-34.5	177.3	-58.4	172.2	0	0	0	111.7	N3 L7 T8 I9	N3-I5 PolarHBondContact O-N 2.72Å; N3-I5 VanDerWaalsContact O-N 3.14Å; N3-I5 WeakPolarHBondContact OD1-CG1 3.44Å; N3-I5 PolarHBondContact OD1-N 3.45Å; I5-L7 VanDerWaalsContact C-N 3.34Å; I5-L7 PolarHBondContact O-N 3.28Å; I5-T8 PolarHBondContact O-OG1 3.37Å; I5-T8 VanDerWaalsContact O-OG1 3.06Å; I5-I9 HydrophobicContact CG2-CD1 3.85Å; I5-I9 WeakPolarHBondContact O-CD1 3.39Å; I5-I9 VanDerWaalsContact O-CG1 3.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.23Å; I5-I9 PolarHBondContact O-N 2.82Å
6	F	73.6	Confident	75	Confident	155 Å²	155	117.1 Å²	117.1	68%	0.68	61%	0.607	S	S	*	*	H	α-helix	trans	-69.5	-35.3	-179.7	-124.9	-84.2	0	0	0	112.1	N3 P4 T10	N3-F6 PolarHBondContact O-N 3.2Å; N3-F6 VanDerWaalsContact O-N 3.1Å; P4-F6 PolarHBondContact O-N 3.27Å; F6-T10 PolarHBondContact O-N 3.08Å; F6-T10 PolarHBondContact O-OG1 3.26Å
7	L	74.7	Confident	75.1	Confident	130 Å²	130	115.1 Å²	115.1	68%	0.681	60%	0.596	S	S	*	*	H	α-helix	trans	-77	-36.5	-174.7	-156.4	147.8	0	0	0	111.3	P4 I5 T10 Y11	P4-L7 PolarHBondContact O-N 3.1Å; P4-L7 VanDerWaalsContact O-N 3.11Å; I5-L7 VanDerWaalsContact C-N 3.34Å; I5-L7 PolarHBondContact O-N 3.28Å; L7-T10 WeakPolarHBondContact CA-OG1 3.34Å; L7-T10 PolarHBondContact O-N 2.89Å; L7-T10 PolarHBondContact O-OG1 3.38Å; L7-Y11 WeakPolarHBondContact O-CB 3.48Å; L7-Y11 PolarHBondContact O-N 2.96Å
8	T	78.1	Confident	74.9	Confident	85 Å²	85	118.3 Å²	118.3	52%	0.521	60%	0.599	S	S	.	*	H	α-helix	trans	-67.3	-39.8	172.3	55.5	0	0	0	0	112.2	P4 I5 Y11 Q12	P4-T8 PolarHBondContact O-N 3.46Å; I5-T8 PolarHBondContact O-OG1 3.37Å; I5-T8 VanDerWaalsContact O-OG1 3.06Å; T8-Y11 PolarHBondContact O-N 2.77Å; T8-Q12 WeakPolarHBondContact O-CG 3.26Å; T8-Q12 PolarHBondContact O-N 3.4Å
9	I	80.1	Confident	74.5	Confident	91 Å²	91	115.9 Å²	115.9	47%	0.467	59%	0.592	S	S	.	*	H	α-helix	trans	-63	-45.6	174.4	-68.8	169.1	0	0	0	110.9	I5 Y11 Q12 L13	I5-I9 HydrophobicContact CG2-CD1 3.85Å; I5-I9 WeakPolarHBondContact O-CD1 3.39Å; I5-I9 VanDerWaalsContact O-CG1 3.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.23Å; I5-I9 PolarHBondContact O-N 2.82Å; I9-Y11 VanDerWaalsContact C-N 3.32Å; I9-Y11 PolarHBondContact O-N 2.66Å; I9-Q12 PolarHBondContact O-N 3.05Å; I9-L13 HydrophobicContact CG2-CD1 4.02Å; I9-L13 WeakPolarHBondContact O-CG 3.4Å; I9-L13 PolarHBondContact O-N 2.93Å
10	T	80.6	Confident	74.1	Confident	70 Å²	70	114.9 Å²	114.9	43%	0.429	59%	0.592	S	S	.	*	H	α-helix	trans	-62.9	-38.1	176	48.1	0	0	0	0	112.6	F6 L7 L13 V14	F6-T10 PolarHBondContact O-N 3.08Å; F6-T10 PolarHBondContact O-OG1 3.26Å; L7-T10 WeakPolarHBondContact CA-OG1 3.34Å; L7-T10 PolarHBondContact O-N 2.89Å; L7-T10 PolarHBondContact O-OG1 3.38Å; T10-L13 PolarHBondContact O-N 3.48Å; T10-V14 WeakPolarHBondContact O-CG2 3.29Å; T10-V14 PolarHBondContact O-N 3.2Å
11	Y	84.7	Confident	73.4	Confident	157 Å²	157	114.8 Å²	114.8	62%	0.616	59%	0.592	S	S	*	*	H	α-helix	trans	-65.1	-46.4	177	-175.6	-97.8	0	0	0	111.7	L7 T8 I9 L13 V14 V15	L7-Y11 WeakPolarHBondContact O-CB 3.48Å; L7-Y11 PolarHBondContact O-N 2.96Å; T8-Y11 PolarHBondContact O-N 2.77Å; I9-Y11 VanDerWaalsContact C-N 3.32Å; I9-Y11 PolarHBondContact O-N 2.66Å; Y11-L13 PolarHBondContact O-N 2.96Å; Y11-V14 PolarHBondContact O-N 3.02Å; Y11-V15 HydrophobicContact CD1-CG2 4.13Å; Y11-V15 HydrophobicContact CE1-CG2 3.76Å; Y11-V15 HydrophobicContact CE2-CG2 4.26Å; Y11-V15 WeakPolarHBondContact O-CB 3.49Å; Y11-V15 WeakPolarHBondContact O-CG2 3.49Å; Y11-V15 PolarHBondContact O-N 3.33Å
12	Q	82.1	Confident	73.7	Confident	124 Å²	124	106.2 Å²	106.2	58%	0.579	55%	0.553	S	S	*	*	H	α-helix	trans	-64.4	-37.9	177.6	-69.9	-68.9	4.1	0	0	112.5	T8 I9 V15 A16	T8-Q12 WeakPolarHBondContact O-CG 3.26Å; T8-Q12 PolarHBondContact O-N 3.4Å; I9-Q12 PolarHBondContact O-N 3.05Å; Q12-V15 PolarHBondContact O-N 2.69Å; Q12-A16 WeakPolarHBondContact O-CB 3.3Å; Q12-A16 PolarHBondContact O-N 2.91Å
13	L	81.4	Confident	73.2	Confident	98 Å²	98	103 Å²	103	51%	0.513	54%	0.54	S	S	.	.	H	α-helix	trans	-64.3	-44.5	173.7	-74.2	172.1	0	0	0	111.8	I9 T10 Y11 A16 I17	I9-L13 HydrophobicContact CG2-CD1 4.02Å; I9-L13 WeakPolarHBondContact O-CG 3.4Å; I9-L13 PolarHBondContact O-N 2.93Å; T10-L13 PolarHBondContact O-N 3.48Å; Y11-L13 PolarHBondContact O-N 2.96Å; L13-A16 PolarHBondContact O-N 3.01Å; L13-I17 HydrophobicContact CB-CD1 4.43Å; L13-I17 VanDerWaalsContact O-CB 3.28Å; L13-I17 WeakPolarHBondContact O-CB 3.47Å; L13-I17 WeakPolarHBondContact O-CD1 3.42Å; L13-I17 WeakPolarHBondContact O-CG1 3.22Å; L13-I17 PolarHBondContact O-N 3.41Å
14	V	81.7	Confident	72.4	Confident	80 Å²	80	103.9 Å²	103.9	49%	0.485	55%	0.549	S	S	.	.	H	α-helix	trans	-61.9	-46.7	175.7	171.3	0	0	0	0	110.8	T10 Y11 A16 I17 W18	T10-V14 WeakPolarHBondContact O-CG2 3.29Å; T10-V14 PolarHBondContact O-N 3.2Å; Y11-V14 PolarHBondContact O-N 3.02Å; V14-A16 VanDerWaalsContact C-N 3.33Å; V14-A16 PolarHBondContact O-N 3.31Å; V14-I17 PolarHBondContact O-N 3.06Å; V14-W18 HydrophobicContact CG1-CE3 3.95Å; V14-W18 HydrophobicContact CG1-CZ3 4.44Å; V14-W18 VanDerWaalsContact O-CB 3.29Å; V14-W18 WeakPolarHBondContact O-CB 3.4Å; V14-W18 PolarHBondContact O-N 3.43Å
15	V	81.9	Confident	71	Confident	67 Å²	67	106.5 Å²	106.5	41%	0.406	55%	0.552	S	S	.	*	H	α-helix	trans	-66.2	-31.7	179.3	172.4	0	0	0	0	112.8	Y11 Q12 P19	Y11-V15 HydrophobicContact CD1-CG2 4.13Å; Y11-V15 HydrophobicContact CE1-CG2 3.76Å; Y11-V15 HydrophobicContact CE2-CG2 4.26Å; Y11-V15 WeakPolarHBondContact O-CB 3.49Å; Y11-V15 WeakPolarHBondContact O-CG2 3.49Å; Y11-V15 PolarHBondContact O-N 3.33Å; Q12-V15 PolarHBondContact O-N 2.69Å; V15-P19 WeakPolarHBondContact O-CD 3.47Å
16	A	75.7	Confident	69.3	Low	65 Å²	65	107.1 Å²	107.1	54%	0.537	56%	0.557	S	S	.	*	H	α-helix	trans	-78.8	-30.5	175.9	0	0	0	0	0	113.5	Q12 L13 V14	Q12-A16 WeakPolarHBondContact O-CB 3.3Å; Q12-A16 PolarHBondContact O-N 2.91Å; L13-A16 PolarHBondContact O-N 3.01Å; V14-A16 VanDerWaalsContact C-N 3.33Å; V14-A16 PolarHBondContact O-N 3.31Å
17	I	76.8	Confident	67.7	Low	82 Å²	82	107.2 Å²	107.2	42%	0.421	56%	0.564	S	S	.	*	H	α-helix	trans	-89.3	-27.8	-178.3	-63.6	166.2	0	0	0	111.6	L13 V14 V20 L21	L13-I17 HydrophobicContact CB-CD1 4.43Å; L13-I17 VanDerWaalsContact O-CB 3.28Å; L13-I17 WeakPolarHBondContact O-CB 3.47Å; L13-I17 WeakPolarHBondContact O-CD1 3.42Å; L13-I17 WeakPolarHBondContact O-CG1 3.22Å; L13-I17 PolarHBondContact O-N 3.41Å; V14-I17 PolarHBondContact O-N 3.06Å; I17-V20 WeakPolarHBondContact O-CB 3.24Å; I17-V20 PolarHBondContact O-N 3.05Å; I17-L21 HydrophobicContact CG2-CD1 3.76Å; I17-L21 HydrophobicContact CG2-CG 3.91Å; I17-L21 PolarHBondContact O-N 2.78Å
18	W	72.5	Confident	66	Low	173 Å²	173	105.6 Å²	105.6	66%	0.655	56%	0.564	S	S	*	*	H	α-helix	trans	-53.8	-48.4	179.3	-162	-65.1	0	0	0	113.1	V14 V20 L21 T22	V14-W18 HydrophobicContact CG1-CE3 3.95Å; V14-W18 HydrophobicContact CG1-CZ3 4.44Å; V14-W18 VanDerWaalsContact O-CB 3.29Å; V14-W18 WeakPolarHBondContact O-CB 3.4Å; V14-W18 PolarHBondContact O-N 3.43Å; W18-V20 VanDerWaalsContact C-N 3.28Å; W18-V20 PolarHBondContact O-N 2.72Å; W18-L21 PolarHBondContact O-N 2.94Å; W18-T22 WeakPolarHBondContact O-CG2 3.27Å; W18-T22 PolarHBondContact O-N 2.95Å; W18-T22 PolarHBondContact O-OG1 3.48Å
19	P	66.7	Low	64.3	Low	73 Å²	73	109.4 Å²	109.4	47%	0.474	58%	0.581	S	S	.	*	H	α-helix	trans	-58.7	-39.9	176	-23.7	34.9	0	0	0	112.4	V15 T22 F23	V15-P19 WeakPolarHBondContact O-CD 3.47Å; P19-T22 WeakPolarHBondContact CA-OG1 3.45Å; P19-T22 PolarHBondContact O-N 2.71Å; P19-T22 PolarHBondContact O-OG1 3.37Å; P19-F23 WeakPolarHBondContact O-CB 3.45Å; P19-F23 PolarHBondContact O-N 2.87Å
20	V	65.9	Low	62.8	Low	96 Å²	96	111.6 Å²	111.6	58%	0.582	59%	0.594	S	S	*	*	H	α-helix	trans	-68.7	-43.2	-177.4	-176	0	0	0	0	111.3	I17 W18 F23	I17-V20 WeakPolarHBondContact O-CB 3.24Å; I17-V20 PolarHBondContact O-N 3.05Å; W18-V20 VanDerWaalsContact C-N 3.28Å; W18-V20 PolarHBondContact O-N 2.72Å; V20-F23 PolarHBondContact O-N 2.9Å
21	L	59.5	Low	61	Low	112 Å²	112	111.7 Å²	111.7	59%	0.586	60%	0.597	S	S	*	*	H	α-helix	trans	-63.2	-45.8	173.3	-75.6	170.3	0	0	0	111.4	I17 W18 F23 T24	I17-L21 HydrophobicContact CG2-CD1 3.76Å; I17-L21 HydrophobicContact CG2-CG 3.91Å; I17-L21 PolarHBondContact O-N 2.78Å; W18-L21 PolarHBondContact O-N 2.94Å; L21-F23 PolarHBondContact O-N 3.11Å; L21-T24 PolarHBondContact O-N 3.41Å; L21-T24 PolarHBondContact O-OG1 2.88Å
22	T	57.3	Low	59.5	Low	66 Å²	66	106.6 Å²	106.6	41%	0.405	58%	0.581	S	S	.	*	H	α-helix	trans	-66.7	-20.8	177.1	54.4	0	0	0	0	113.6	W18 P19 T24	W18-T22 WeakPolarHBondContact O-CG2 3.27Å; W18-T22 PolarHBondContact O-N 2.95Å; W18-T22 PolarHBondContact O-OG1 3.48Å; P19-T22 WeakPolarHBondContact CA-OG1 3.45Å; P19-T22 PolarHBondContact O-N 2.71Å; P19-T22 PolarHBondContact O-OG1 3.37Å; T22-T24 VanDerWaalsContact C-N 3.32Å
23	F	51.1	Low	57.8	Low	145 Å²	145	105.3 Å²	105.3	64%	0.636	58%	0.577	S	S	*	*	H	α-helix	trans	-81.7	-11.3	177.5	-146.7	-102.8	0	0	0	113.3	P19 V20 L21	P19-F23 WeakPolarHBondContact O-CB 3.45Å; P19-F23 PolarHBondContact O-N 2.87Å; V20-F23 PolarHBondContact O-N 2.9Å; L21-F23 PolarHBondContact O-N 3.11Å
24	T	47	Very low	56.5	Low	115 Å²	115	105.3 Å²	105.3	71%	0.706	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	2.1	175.4	43	0	0	0	0	115.1	L21 T22	L21-T24 PolarHBondContact O-N 3.41Å; L21-T24 PolarHBondContact O-OG1 2.88Å; T22-T24 VanDerWaalsContact C-N 3.32Å
25	E	45.4	Very low	55.5	Low	151 Å²	151	108.5 Å²	108.5	71%	0.706	59%	0.593	S	S	*	*			trans	-103.9	0.1	176.5	-73.3	-172.9	114.1	0	0	114.9	N27	E25-N27 PolarHBondContact O-N 3.48Å
26	N	38.3	Very low	55	Low	115 Å²	115	106.3 Å²	106.3	62%	0.615	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	48.9	-179.5	-73.9	-42.4	0	0	0	114.3
27	N	39.4	Very low	54.6	Low	156 Å²	156	106 Å²	106	83%	0.834	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.1	31.8	166.7	-153.7	21.1	0	0	0	114.6	E25	E25-N27 PolarHBondContact O-N 3.48Å
28	S	40.4	Very low	54.5	Low	97 Å²	97	103.6 Å²	103.6	68%	0.678	57%	0.569	S	S	*	*			trans	-138.8	11.9	179.9	-74.4	0	0	0	0	116.1	N30	S28-N30 PolarHBondContact O-N 3.09Å
29	D	42.1	Very low	54.8	Low	164 Å²	164	99.6 Å²	99.6	88%	0.877	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	53.8	177.3	-86.7	-20.7	0	0	0	113.8
30	N	47.8	Very low	55.7	Low	138 Å²	138	97.3 Å²	97.3	74%	0.738	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	9.5	163.4	-116.5	-1.3	0	0	0	111.8	S28	S28-N30 PolarHBondContact O-N 3.09Å
31	S	43	Very low	56.8	Low	71 Å²	71	96.5 Å²	96.5	50%	0.497	53%	0.533	S	S	.	.			trans	-111	74.3	-179	179.3	0	0	0	0	111.9	N33	S31-N33 PolarHBondContact O-N 2.89Å
32	I	53.1	Low	58.2	Low	51 Å²	51	95.9 Å²	95.9	26%	0.262	53%	0.526	S	S	.	.	S	Bend	trans	-76.6	76.2	163.6	-57.2	-179.8	0	0	0	108.2	F40 F69 K70 Y73	I32-F40 HydrophobicContact CB-CE1 4.04Å; I32-F40 HydrophobicContact CB-CZ 3.69Å; I32-F40 HydrophobicContact CD1-CE2 3.89Å; I32-F40 HydrophobicContact CD1-CZ 3.69Å; I32-F40 HydrophobicContact CG1-CE2 4.41Å; I32-F40 HydrophobicContact CG1-CZ 3.69Å; I32-F69 HydrophobicContact CD1-CE1 4.15Å; I32-K70 HydrophobicContact CG2-CG 4.37Å; I32-Y73 HydrophobicContact CG2-CD1 4.3Å; I32-Y73 HydrophobicContact CG2-CE1 4.39Å
33	N	46.9	Very low	59.8	Low	96 Å²	96	95.4 Å²	95.4	51%	0.513	52%	0.518	S	S	.	.			trans	18.1	97	177.2	-67.4	7	0	0	0	115.7	S31 N35	S31-N33 PolarHBondContact O-N 2.89Å; N33-N35 PolarHBondContact O-N 3.47Å
34	N	53.1	Low	61.6	Low	99 Å²	99	91.6 Å²	91.6	53%	0.529	51%	0.508	S	S	.	.			trans	-69.2	47.7	-167.8	-62.4	-7.3	0	0	0	116.3	C36 G37	N34-C36 PolarHBondContact O-N 3.28Å; N34-G37 PolarHBondContact O-N 3.08Å
35	N	61.6	Low	63.6	Low	147 Å²	147	90.1 Å²	90.1	79%	0.786	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-9.1	166.7	-76.2	27.5	0	0	0	112.7	N33 F74	N33-N35 PolarHBondContact O-N 3.47Å; N35-F74 HydrophobicContact CB-CE1 4.38Å
36	C	72.2	Confident	65.7	Low	21 Å²	21	88.1 Å²	88.1	14%	0.142	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-25.6	-177.6	-159.6	0	0	0	0	115.2	N34 K38 Y73 C77	N34-C36 PolarHBondContact O-N 3.28Å; C36-K38 PolarHBondContact O-N 3.47Å; C36-Y73 VanDerWaalsContact CB-OH 3.25Å; C36-Y73 WeakPolarHBondContact CB-OH 3.47Å; C36-C77 WeakPolarHBondContact CA-SG 3.33Å; C36-C77 HydrophobicContact CB-CB 4.07Å; C36-C77 WeakPolarHBondContact CB-SG 3.29Å; C36-C77 VanDerWaalsContact SG-CA 3.59Å; C36-C77 WeakPolarHBondContact SG-CB 2.9Å; C36-C77 CovalentContact SG-SG 2.02Å; C36-C77 PolarHBondContact SG-SG 3.33Å
37	G	65.9	Low	68.3	Low	57 Å²	57	82.8 Å²	82.8	59%	0.588	45%	0.453	S	S	*	.			trans	68.1	-36.6	-165.3	0	0	0	0	0	114.8	N34 S122	N34-G37 PolarHBondContact O-N 3.08Å; G37-S122 PolarHBondContact O-OG 2.8Å
38	K	74.9	Confident	70.8	Confident	33 Å²	33	75.4 Å²	75.4	14%	0.143	41%	0.414	C	S	.	.	S	Bend	trans	-69.1	139.9	174.6	-59.2	172.6	-178.2	167.8	0	111.9	C36 C77 L119 S122	C36-K38 PolarHBondContact O-N 3.47Å; K38-C77 PolarHBondContact NZ-O 3.33Å; K38-L119 HydrophobicContact CD-CD1 3.95Å; K38-S122 WeakPolarHBondContact CA-OG 3.34Å
39	N	79.9	Confident	73.3	Confident	89 Å²	89	73.1 Å²	73.1	48%	0.476	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	160	164.2	-83.2	5.9	0	0	0	110.3	E120	N39-E120 HydrophobicContact CB-CB 3.74Å; N39-E120 WeakPolarHBondContact CB-OE2 3.31Å; N39-E120 PolarHBondContact N-O 3.07Å; N39-E120 PolarHBondContact ND2-OE2 2.74Å; N39-E120 PolarHBondContact O-N 2.99Å; N39-E120 VanDerWaalsContact O-O 3.1Å
40	F	85.1	Confident	75.6	Confident	25 Å²	25	65.7 Å²	65.7	11%	0.11	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	146.7	171.4	73	-80.5	0	0	0	112	I32 F42 Y73 V118 L119	I32-F40 HydrophobicContact CB-CE1 4.04Å; I32-F40 HydrophobicContact CB-CZ 3.69Å; I32-F40 HydrophobicContact CD1-CE2 3.89Å; I32-F40 HydrophobicContact CD1-CZ 3.69Å; I32-F40 HydrophobicContact CG1-CE2 4.41Å; I32-F40 HydrophobicContact CG1-CZ 3.69Å; F40-F42 HydrophobicContact CE2-CB 4.35Å; F40-Y73 HydrophobicContact CB-CD2 4.5Å; F40-Y73 HydrophobicContact CB-CE2 3.88Å; F40-Y73 AromaticContact CD1-CE2 3.61Å; F40-Y73 HydrophobicContact CD1-CE2 3.61Å; F40-Y73 AromaticContact CD1-CZ 3.84Å; F40-Y73 HydrophobicContact CD2-CE2 4.33Å; F40-Y73 HydrophobicContact CE1-CE2 4.3Å; F40-Y73 HydrophobicContact CG-CD2 4.24Å; F40-Y73 AromaticContact CG-CE2 3.65Å; F40-Y73 HydrophobicContact CG-CE2 3.65Å; F40-V118 CarbonylContact C-O 3.57Å; F40-V118 VanDerWaalsContact CA-O 3.24Å; F40-V118 WeakPolarHBondContact CA-O 2.98Å; F40-L119 HydrophobicContact CB-CD2 3.86Å
41	Q	88.2	Confident	77.5	Confident	79 Å²	79	65.4 Å²	65.4	37%	0.369	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.7	167.1	-61.1	-173.4	3.9	0	0	109.5	V118 E120	Q41-V118 HydrophobicContact CB-CB 4.43Å; Q41-V118 PolarHBondContact N-O 2.91Å; Q41-V118 PolarHBondContact O-N 2.93Å; Q41-E120 HydrophobicContact CG-CG 4.4Å; Q41-E120 WeakPolarHBondContact CG-OE1 3.19Å; Q41-E120 PolarHBondContact NE2-OE1 3.07Å
42	F	90	Very high	79.9	Confident	98 Å²	98	66.4 Å²	66.4	43%	0.43	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	133.1	167.3	176.3	-129.3	0	0	0	110.9	F40 P44 F69 D115	F40-F42 HydrophobicContact CE2-CB 4.35Å; F42-P44 HydrophobicContact CD1-CG 4.5Å; F42-P44 HydrophobicContact CE1-CB 3.89Å; F42-P44 HydrophobicContact CE1-CG 3.99Å; F42-P44 HydrophobicContact CE2-CB 4.37Å; F42-P44 HydrophobicContact CZ-CB 3.69Å; F42-P44 HydrophobicContact CZ-CG 4.28Å; F42-F69 HydrophobicContact CD2-CE1 4.17Å; F42-F69 AromaticContact CD2-CE2 3.61Å; F42-F69 HydrophobicContact CD2-CE2 3.61Å; F42-F69 AromaticContact CD2-CZ 3.29Å; F42-F69 HydrophobicContact CD2-CZ 3.29Å; F42-F69 HydrophobicContact CE2-CD2 4.18Å; F42-F69 HydrophobicContact CE2-CE1 4.29Å; F42-F69 AromaticContact CE2-CE2 3.44Å; F42-F69 HydrophobicContact CE2-CE2 3.44Å; F42-F69 VanDerWaalsContact CE2-CE2 3.44Å; F42-F69 AromaticContact CE2-CZ 3.52Å; F42-F69 HydrophobicContact CE2-CZ 3.52Å; F42-F69 HydrophobicContact CG-CZ 4.24Å; F42-D115 HydrophobicContact CE2-CB 4.05Å
43	K	89.5	Confident	81.8	Confident	57 Å²	57	64 Å²	64	25%	0.248	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	88.4	-179.4	-75.3	169.5	-174.7	158.1	0	109.6	T116 V118	K43-T116 HydrophobicContact CB-CG2 4.49Å; K43-T116 PolarHBondContact N-O 3.02Å; K43-T116 PolarHBondContact O-N 3.08Å; K43-V118 HydrophobicContact CD-CG2 4.16Å
44	P	89	Confident	83.9	Confident	65 Å²	65	62.8 Å²	62.8	42%	0.422	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	155.8	-177.8	27.2	-34.3	0	0	0	112.5	F42 R46 D115	F42-P44 HydrophobicContact CD1-CG 4.5Å; F42-P44 HydrophobicContact CE1-CB 3.89Å; F42-P44 HydrophobicContact CE1-CG 3.99Å; F42-P44 HydrophobicContact CE2-CB 4.37Å; F42-P44 HydrophobicContact CZ-CB 3.69Å; F42-P44 HydrophobicContact CZ-CG 4.28Å; P44-R46 PolarHBondContact O-N 3.13Å; P44-D115 WeakPolarHBondContact CA-OD1 3.07Å
45	N	89.4	Confident	85.7	Confident	84 Å²	84	62.5 Å²	62.5	45%	0.449	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	39.3	-179.8	-60.3	-75.2	0	0	0	113.5	S110 H111 S112 Y114 D115	N45-S110 CarbonylContact O-C 3.55Å; N45-S110 WeakPolarHBondContact O-CA 3.25Å; N45-H111 CarbonylContact C-O 3.35Å; N45-H111 VanDerWaalsContact CA-O 3.31Å; N45-H111 WeakPolarHBondContact CA-O 3.36Å; N45-H111 PolarHBondContact O-N 3.31Å; N45-S112 VanDerWaalsContact OD1-CA 3.31Å; N45-S112 WeakPolarHBondContact OD1-CA 3.19Å; N45-Y114 CarbonylContact C-O 3.59Å; N45-Y114 VanDerWaalsContact C-O 3.31Å; N45-Y114 WeakPolarHBondContact CA-O 3.18Å; N45-Y114 PolarHBondContact N-O 2.7Å; N45-D115 PolarHBondContact N-OD1 3.14Å
46	R	90.3	Very high	87.1	Confident	109 Å²	109	57.1 Å²	57.1	41%	0.411	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139.7	177.5	-70.1	-158.6	-176.9	-133.5	0.5	112.5	P44 S109 Y114 T116	P44-R46 PolarHBondContact O-N 3.13Å; R46-S109 WeakPolarHBondContact CA-O 3.25Å; R46-Y114 PolarHBondContact N-O 3.24Å; R46-Y114 CarbonylContact O-C 3.59Å; R46-T116 PolarHBondContact O-OG1 3.45Å
47	I	92.5	Very high	88	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	154.3	173.4	-160	-179.3	0	0	0	109.7	Y108 S109 H111 Y114 P460	I47-Y108 CarbonylContact O-C 3.26Å; I47-Y108 VanDerWaalsContact O-CA 3.27Å; I47-Y108 WeakPolarHBondContact O-CA 3.25Å; I47-S109 WeakPolarHBondContact CG2-OG 3.44Å; I47-S109 PolarHBondContact N-O 2.84Å; I47-S109 PolarHBondContact O-N 2.02Å; I47-H111 HydrophobicContact CB-CB 3.93Å; I47-H111 HydrophobicContact CG2-CB 3.75Å; I47-Y114 HydrophobicContact CB-CD2 4.05Å; I47-Y114 HydrophobicContact CB-CG 4.18Å; I47-Y114 HydrophobicContact CD1-CD2 3.33Å; I47-Y114 HydrophobicContact CD1-CE2 3.42Å; I47-Y114 VanDerWaalsContact CD1-CE2 3.42Å; I47-Y114 HydrophobicContact CD1-CG 3.99Å; I47-Y114 HydrophobicContact CG1-CD1 4.41Å; I47-Y114 HydrophobicContact CG1-CD2 3.69Å; I47-Y114 HydrophobicContact CG1-CE2 4.2Å; I47-Y114 HydrophobicContact CG1-CG 3.84Å; I47-P460 HydrophobicContact CD1-CG 3.96Å; I47-P460 HydrophobicContact CG1-CG 4.23Å
48	I	92.4	Very high	89.2	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	136.1	168.2	-171	172.3	0	0	0	110.6	T50 S53 I86 F98 C106 Y108	I48-T50 VanDerWaalsContact C-N 3.29Å; I48-T50 HydrophobicContact CG2-CG2 4Å; I48-T50 PolarHBondContact O-N 3.12Å; I48-S53 WeakPolarHBondContact CG1-OG 3.07Å; I48-I86 HydrophobicContact CB-CD1 3.94Å; I48-I86 HydrophobicContact CB-CG1 4.15Å; I48-I86 HydrophobicContact CG2-CD1 3.74Å; I48-I86 HydrophobicContact CG2-CG1 3.91Å; I48-F98 HydrophobicContact CD1-CB 4.4Å; I48-F98 HydrophobicContact CD1-CD1 3.98Å; I48-F98 HydrophobicContact CD1-CD2 4.12Å; I48-F98 HydrophobicContact CD1-CE1 4.25Å; I48-F98 HydrophobicContact CD1-CE2 4.38Å; I48-F98 HydrophobicContact CD1-CG 3.93Å; I48-F98 HydrophobicContact CD1-CZ 4.45Å; I48-F98 HydrophobicContact CG2-CD2 4.4Å; I48-F98 HydrophobicContact CG2-CE1 4.49Å; I48-F98 HydrophobicContact CG2-CE2 3.75Å; I48-F98 HydrophobicContact CG2-CZ 3.81Å; I48-C106 HydrophobicContact CD1-CB 3.96Å; I48-C106 HydrophobicContact CG1-CB 4.45Å; I48-Y108 HydrophobicContact CB-CD1 4.37Å; I48-Y108 HydrophobicContact CB-CE1 4.41Å
49	L	92.1	Very high	90.1	Very high	49 Å²	49	59.4 Å²	59.4	26%	0.257	31%	0.311	S	S	.	.			trans	-77.8	84	167.3	-68.3	173.9	0	0	0	108	Q51 K52 S53 F107 S109	L49-Q51 PolarHBondContact O-N 3.3Å; L49-K52 HydrophobicContact CB-CB 4.05Å; L49-K52 HydrophobicContact CD1-CD 4.27Å; L49-K52 PolarHBondContact O-N 2.58Å; L49-S53 WeakPolarHBondContact O-CB 3.38Å; L49-S53 PolarHBondContact O-N 3.04Å; L49-S53 PolarHBondContact O-OG 3.4Å; L49-F107 HydrophobicContact CB-CB 4.19Å; L49-F107 HydrophobicContact CD1-CB 4.16Å; L49-F107 PolarHBondContact N-O 2.75Å; L49-S109 WeakPolarHBondContact CD2-OG 3.33Å
50	T	89.7	Confident	90.7	Very high	7 Å²	7	57.1 Å²	57.1	4%	0.043	30%	0.297	C	S	.	.	H	α-helix	trans	-45.9	-62.7	-173.7	49.8	0	0	0	0	112.6	I48 K52 S53 I54 F98 P460	I48-T50 VanDerWaalsContact C-N 3.29Å; I48-T50 HydrophobicContact CG2-CG2 4Å; I48-T50 PolarHBondContact O-N 3.12Å; T50-K52 VanDerWaalsContact C-N 3.31Å; T50-K52 PolarHBondContact O-N 2.83Å; T50-S53 PolarHBondContact O-N 3.46Å; T50-I54 WeakPolarHBondContact O-CG1 3.34Å; T50-I54 PolarHBondContact O-N 3.26Å; T50-F98 HydrophobicContact CG2-CE1 4.48Å; T50-F98 HydrophobicContact CG2-CZ 4.17Å; T50-P460 HydrophobicContact CG2-CB 4.48Å; T50-P460 HydrophobicContact CG2-CG 4.18Å
51	Q	89.4	Confident	91.1	Very high	133 Å²	133	57.9 Å²	57.9	62%	0.621	30%	0.302	S	S	*	.	H	α-helix	trans	-56.3	-42.9	-177.5	-173.7	62.1	33.4	0	0	112.7	L49 S55	L49-Q51 PolarHBondContact O-N 3.3Å; Q51-S55 VanDerWaalsContact O-CB 3.31Å; Q51-S55 WeakPolarHBondContact O-CB 3.45Å; Q51-S55 PolarHBondContact O-N 3.42Å; Q51-S55 PolarHBondContact O-OG 3.11Å
52	K	92.3	Very high	91.2	Very high	92 Å²	92	59.7 Å²	59.7	40%	0.4	31%	0.309	S	S	.	.	H	α-helix	trans	-69.4	-40.7	-178.5	-167.9	173.4	-175.9	161.7	0	111.6	L49 T50 S55 A56 F107	L49-K52 HydrophobicContact CB-CB 4.05Å; L49-K52 HydrophobicContact CD1-CD 4.27Å; L49-K52 PolarHBondContact O-N 2.58Å; T50-K52 VanDerWaalsContact C-N 3.31Å; T50-K52 PolarHBondContact O-N 2.83Å; K52-S55 WeakPolarHBondContact CA-OG 3.38Å; K52-S55 PolarHBondContact O-N 3.08Å; K52-S55 PolarHBondContact O-OG 3.36Å; K52-A56 WeakPolarHBondContact O-CB 3.31Å; K52-A56 PolarHBondContact O-N 3.4Å; K52-A56 VanDerWaalsContact O-N 3.14Å; K52-F107 HydrophobicContact CB-CD2 4.35Å; K52-F107 HydrophobicContact CD-CB 4.1Å; K52-F107 HydrophobicContact CD-CD1 4.24Å; K52-F107 HydrophobicContact CD-CD2 4.12Å; K52-F107 HydrophobicContact CD-CG 3.88Å; K52-F107 HydrophobicContact CG-CB 4.37Å; K52-F107 HydrophobicContact CG-CD2 3.72Å; K52-F107 HydrophobicContact CG-CE2 4.17Å; K52-F107 HydrophobicContact CG-CG 4.02Å
53	S	93.1	Very high	91.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-67.5	-45.7	178.7	-52.1	0	0	0	0	111.2	I48 L49 T50 S55 A56 G57 A58 Q105 F107	I48-S53 WeakPolarHBondContact CG1-OG 3.07Å; L49-S53 WeakPolarHBondContact O-CB 3.38Å; L49-S53 PolarHBondContact O-N 3.04Å; L49-S53 PolarHBondContact O-OG 3.4Å; T50-S53 PolarHBondContact O-N 3.46Å; S53-S55 PolarHBondContact O-N 3.17Å; S53-A56 CarbonylContact O-C 3.36Å; S53-A56 VanDerWaalsContact O-C 3.26Å; S53-A56 WeakPolarHBondContact O-CA 3.33Å; S53-A56 PolarHBondContact O-N 3.29Å; S53-G57 PolarHBondContact O-N 2.74Å; S53-A58 VanDerWaalsContact O-CB 3.24Å; S53-A58 WeakPolarHBondContact O-CB 3.42Å; S53-A58 PolarHBondContact O-N 3.47Å; S53-Q105 WeakPolarHBondContact CA-O 3.22Å; S53-F107 PolarHBondContact OG-N 2.93Å
54	I	90.8	Very high	91.5	Very high	71 Å²	71	56.5 Å²	56.5	36%	0.364	30%	0.296	S	S	.	.	H	α-helix	trans	-64.2	-40.6	176.2	-63.9	165.1	0	0	0	110.7	T50 A56 G57 A58	T50-I54 WeakPolarHBondContact O-CG1 3.34Å; T50-I54 PolarHBondContact O-N 3.26Å; I54-A56 PolarHBondContact O-N 2.95Å; I54-A56 VanDerWaalsContact O-N 3.17Å; I54-G57 PolarHBondContact O-N 3.35Å; I54-A58 WeakPolarHBondContact CA-O 3.09Å
55	S	90.8	Very high	91.7	Very high	93 Å²	93	61.3 Å²	61.3	65%	0.65	31%	0.311	S	S	*	.	H	α-helix	trans	-64.5	-17.3	173.7	72.4	0	0	0	0	114.3	Q51 K52 S53	Q51-S55 VanDerWaalsContact O-CB 3.31Å; Q51-S55 WeakPolarHBondContact O-CB 3.45Å; Q51-S55 PolarHBondContact O-N 3.42Å; Q51-S55 PolarHBondContact O-OG 3.11Å; K52-S55 WeakPolarHBondContact CA-OG 3.38Å; K52-S55 PolarHBondContact O-N 3.08Å; K52-S55 PolarHBondContact O-OG 3.36Å; S53-S55 PolarHBondContact O-N 3.17Å
56	A	91	Very high	91.7	Very high	33 Å²	33	57.5 Å²	57.5	27%	0.273	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	25.2	173.2	0	0	0	0	0	112.2	K52 S53 I54 G104 Q105 F107	K52-A56 WeakPolarHBondContact O-CB 3.31Å; K52-A56 PolarHBondContact O-N 3.4Å; K52-A56 VanDerWaalsContact O-N 3.14Å; S53-A56 CarbonylContact O-C 3.36Å; S53-A56 VanDerWaalsContact O-C 3.26Å; S53-A56 WeakPolarHBondContact O-CA 3.33Å; S53-A56 PolarHBondContact O-N 3.29Å; I54-A56 PolarHBondContact O-N 2.95Å; I54-A56 VanDerWaalsContact O-N 3.17Å; A56-G104 CarbonylContact O-C 3.6Å; A56-G104 VanDerWaalsContact O-CA 3.29Å; A56-G104 WeakPolarHBondContact O-CA 3.42Å; A56-Q105 HydrophobicContact CB-CB 4.36Å; A56-Q105 PolarHBondContact O-N 2.91Å; A56-F107 HydrophobicContact CB-CE2 3.74Å
57	G	91.1	Very high	91.4	Very high	47 Å²	47	56.1 Å²	56.1	49%	0.485	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	3.5	170.4	0	0	0	0	0	116.6	S53 I54 G104	S53-G57 PolarHBondContact O-N 2.74Å; I54-G57 PolarHBondContact O-N 3.35Å; G57-G104 WeakPolarHBondContact O-CA 3.42Å
58	A	92.3	Very high	91.2	Very high	5 Å²	5	58.1 Å²	58.1	4%	0.041	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-71.1	139.7	175.8	0	0	0	0	0	111.8	S53 I54 D99 C106	S53-A58 VanDerWaalsContact O-CB 3.24Å; S53-A58 WeakPolarHBondContact O-CB 3.42Å; S53-A58 PolarHBondContact O-N 3.47Å; I54-A58 WeakPolarHBondContact CA-O 3.09Å; A58-D99 CarbonylContact C-O 3.58Å; A58-D99 WeakPolarHBondContact CA-O 3.28Å; A58-D99 WeakPolarHBondContact CB-O 3Å; A58-C106 WeakPolarHBondContact CB-SG 3.3Å
59	K	93	Very high	91.1	Very high	108 Å²	108	59.9 Å²	59.9	47%	0.47	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.4	-177.4	-176.1	-172.8	174.9	-168	0	110.2	L61 E81 F98 D99	K59-L61 HydrophobicContact CD-CD2 3.82Å; K59-L61 HydrophobicContact CG-CD2 4.05Å; K59-E81 IonicContact NZ-OE1 2.87Å; K59-E81 IonicContact NZ-OE2 2.72Å; K59-E81 PolarHBondContact NZ-OE2 2.95Å; K59-F98 CarbonylContact O-C 3.58Å; K59-F98 VanDerWaalsContact O-CA 3.26Å; K59-F98 WeakPolarHBondContact O-CA 2.99Å; K59-D99 HydrophobicContact CB-CB 4.2Å; K59-D99 PolarHBondContact N-O 2.75Å; K59-D99 PolarHBondContact O-N 2.01Å
60	F	93.2	Very high	91	Very high	40 Å²	40	62.2 Å²	62.2	18%	0.175	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	137	165.2	177.8	-120.6	0	0	0	109.7	K62 K63 F96 M97 F98 L463	F60-K62 WeakPolarHBondContact CE2-O 3.03Å; F60-K62 VanDerWaalsContact CZ-C 3.44Å; F60-K63 HydrophobicContact CZ-CB 4.18Å; F60-F96 HydrophobicContact CE2-CB 4.37Å; F60-F96 HydrophobicContact CE2-CD1 4.48Å; F60-M97 WeakPolarHBondContact CD2-O 3.33Å; F60-F98 HydrophobicContact CB-CD1 3.99Å; F60-F98 HydrophobicContact CB-CE1 3.91Å; F60-F98 AromaticContact CD2-CD1 3.91Å; F60-F98 HydrophobicContact CD2-CD1 3.91Å; F60-F98 HydrophobicContact CD2-CD2 4.43Å; F60-F98 AromaticContact CD2-CE1 3.53Å; F60-F98 HydrophobicContact CD2-CE1 3.53Å; F60-F98 HydrophobicContact CD2-CE2 4.09Å; F60-F98 HydrophobicContact CD2-CG 4.34Å; F60-F98 AromaticContact CD2-CZ 3.63Å; F60-F98 HydrophobicContact CD2-CZ 3.63Å; F60-F98 HydrophobicContact CE2-CE1 4.48Å; F60-F98 HydrophobicContact CE2-CE2 4.41Å; F60-F98 HydrophobicContact CE2-CZ 4.15Å; F60-F98 HydrophobicContact CG-CD1 4.45Å; F60-F98 HydrophobicContact CG-CE1 4.12Å; F60-L463 HydrophobicContact CB-CD2 4.18Å; F60-L463 HydrophobicContact CD1-CD2 3.78Å; F60-L463 HydrophobicContact CD2-CD2 4.36Å; F60-L463 HydrophobicContact CE1-CD2 4.21Å; F60-L463 HydrophobicContact CG-CD2 3.85Å
61	L	92.3	Very high	91	Very high	42 Å²	42	64.7 Å²	64.7	22%	0.22	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-52.8	-172.9	-56.7	175.4	0	0	0	112.4	K59 E81 C82 M97 D99	K59-L61 HydrophobicContact CD-CD2 3.82Å; K59-L61 HydrophobicContact CG-CD2 4.05Å; L61-E81 VanDerWaalsContact CD1-C 3.5Å; L61-E81 HydrophobicContact CD1-CB 3.86Å; L61-E81 WeakPolarHBondContact CD1-O 3.32Å; L61-E81 HydrophobicContact CD2-CB 3.86Å; L61-E81 VanDerWaalsContact CD2-OE2 3.3Å; L61-E81 WeakPolarHBondContact CD2-OE2 3.43Å; L61-C82 HydrophobicContact CD1-CB 3.99Å; L61-M97 HydrophobicContact CB-CB 4.24Å; L61-M97 WeakPolarHBondContact CB-O 3.1Å; L61-M97 PolarHBondContact N-O 3.05Å; L61-D99 HydrophobicContact CD1-CB 4.41Å; L61-D99 HydrophobicContact CD2-CB 4.31Å
62	K	92	Very high	91.2	Very high	117 Å²	117	58.4 Å²	58.4	51%	0.509	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	148.4	-174.5	-151.9	174.1	-179.7	179	0	112.4	F60 L64 M97	F60-K62 WeakPolarHBondContact CE2-O 3.03Å; F60-K62 VanDerWaalsContact CZ-C 3.44Å; K62-L64 HydrophobicContact CD-CD2 3.82Å; K62-L64 HydrophobicContact CD-CG 4.05Å; K62-L64 HydrophobicContact CG-CD2 4.42Å; K62-L64 HydrophobicContact CG-CG 4.35Å; K62-M97 PolarHBondContact O-N 3.13Å
63	K	92.9	Very high	91.2	Very high	52 Å²	52	54 Å²	54	23%	0.226	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.7	157.4	-170.5	-175.9	179	-166.6	0	109.2	F60 S94 C95 F96 E464	F60-K63 HydrophobicContact CZ-CB 4.18Å; K63-S94 WeakPolarHBondContact CE-OG 3.21Å; K63-C95 WeakPolarHBondContact CA-O 3.41Å; K63-F96 HydrophobicContact CB-CD1 4.3Å; K63-F96 HydrophobicContact CB-CE1 4.49Å; K63-F96 HydrophobicContact CD-CD1 4.26Å; K63-F96 HydrophobicContact CD-CE1 3.63Å; K63-F96 HydrophobicContact CD-CZ 4.22Å; K63-F96 HydrophobicContact CG-CD1 3.89Å; K63-F96 HydrophobicContact CG-CE1 3.73Å; K63-F96 HydrophobicContact CG-CZ 4.36Å; K63-E464 HydrophobicContact CD-CG 4.09Å; K63-E464 VanDerWaalsContact CD-OE1 3.27Å; K63-E464 WeakPolarHBondContact CD-OE1 3.46Å; K63-E464 IonicContact NZ-OE1 3.67Å; K63-E464 PolarHBondContact NZ-OE1 2.04Å; K63-E464 IonicContact NZ-OE2 3.46Å; K63-E464 PolarHBondContact NZ-OE2 3.29Å
64	L	92.1	Very high	91.1	Very high	36 Å²	36	56.9 Å²	56.9	19%	0.188	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	137.5	172.8	-69.8	172.3	0	0	0	109.1	K62 V66 M75 S94 C95 M97	K62-L64 HydrophobicContact CD-CD2 3.82Å; K62-L64 HydrophobicContact CD-CG 4.05Å; K62-L64 HydrophobicContact CG-CD2 4.42Å; K62-L64 HydrophobicContact CG-CG 4.35Å; L64-V66 HydrophobicContact CB-CG1 4.09Å; L64-M75 HydrophobicContact CD1-CB 3.78Å; L64-M75 HydrophobicContact CD1-CG 3.76Å; L64-M75 HydrophobicContact CD1-SD 3.85Å; L64-S94 CarbonylContact O-C 3.6Å; L64-S94 WeakPolarHBondContact O-CA 3.39Å; L64-C95 HydrophobicContact CB-CB 4.44Å; L64-C95 PolarHBondContact N-O 2.04Å; L64-C95 PolarHBondContact O-N 2.78Å; L64-M97 HydrophobicContact CD1-SD 3.75Å; L64-M97 HydrophobicContact CG-SD 4.47Å
65	K	92.2	Very high	91.1	Very high	165 Å²	165	56.9 Å²	56.9	72%	0.717	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.4	165.6	-169.5	172.5	-175.2	174.2	0	108.4	T92	K65-T92 WeakPolarHBondContact CE-O 3.24Å
66	V	90.7	Very high	91.2	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.024	27%	0.271	C	S	.	.			trans	-137	147.4	-175.4	-60.2	0	0	0	0	110.2	L64 S68 E71 C72 M75 F87 Q93 C95	L64-V66 HydrophobicContact CB-CG1 4.09Å; V66-S68 VanDerWaalsContact C-N 3.27Å; V66-S68 PolarHBondContact O-N 2.83Å; V66-E71 HydrophobicContact CB-CB 4.05Å; V66-E71 HydrophobicContact CB-CG 3.85Å; V66-E71 HydrophobicContact CG1-CG 3.98Å; V66-C72 HydrophobicContact CG2-CB 4.03Å; V66-M75 HydrophobicContact CG1-CG 4.3Å; V66-F87 HydrophobicContact CG2-CD2 3.83Å; V66-F87 HydrophobicContact CG2-CE2 3.7Å; V66-Q93 PolarHBondContact N-O 2.85Å; V66-Q93 VanDerWaalsContact O-CB 3.31Å; V66-Q93 WeakPolarHBondContact O-CB 3.35Å; V66-C95 HydrophobicContact CG1-CB 4.11Å; V66-C95 HydrophobicContact CG2-CB 3.8Å
67	S	84.3	Confident	91.3	Very high	81 Å²	81	51.3 Å²	51.3	57%	0.566	26%	0.261	S	S	*	.	S	Bend	trans	-68.9	-24.2	-177.7	65.7	0	0	0	0	113.9	E71	S67-E71 WeakPolarHBondContact CB-OE2 3.4Å; S67-E71 PolarHBondContact N-OE2 2.87Å; S67-E71 PolarHBondContact OG-OE2 2.74Å
68	S	88.5	Confident	91.2	Very high	43 Å²	43	54.9 Å²	54.9	30%	0.301	27%	0.269	S	S	.	.	S	Bend	trans	-157.2	159.1	-168.6	65	0	0	0	0	113.9	V66 K70 E71 C72	V66-S68 VanDerWaalsContact C-N 3.27Å; V66-S68 PolarHBondContact O-N 2.83Å; S68-K70 PolarHBondContact O-N 3.2Å; S68-E71 WeakPolarHBondContact O-CB 3.37Å; S68-E71 PolarHBondContact O-N 2.86Å; S68-E71 VanDerWaalsContact O-N 3.11Å; S68-E71 PolarHBondContact OG-N 2.95Å; S68-C72 PolarHBondContact O-N 2.85Å; S68-C72 VanDerWaalsContact O-N 3.08Å
69	F	89.1	Confident	91	Very high	40 Å²	40	57 Å²	57	18%	0.175	28%	0.281	C	S	.	.	H	α-helix	trans	-52	-41.8	169.9	176	-91.9	0	0	0	112.9	I32 F42 E71 C72 Y73 F87 D115 I117	I32-F69 HydrophobicContact CD1-CE1 4.15Å; F42-F69 HydrophobicContact CD2-CE1 4.17Å; F42-F69 AromaticContact CD2-CE2 3.61Å; F42-F69 HydrophobicContact CD2-CE2 3.61Å; F42-F69 AromaticContact CD2-CZ 3.29Å; F42-F69 HydrophobicContact CD2-CZ 3.29Å; F42-F69 HydrophobicContact CE2-CD2 4.18Å; F42-F69 HydrophobicContact CE2-CE1 4.29Å; F42-F69 AromaticContact CE2-CE2 3.44Å; F42-F69 HydrophobicContact CE2-CE2 3.44Å; F42-F69 VanDerWaalsContact CE2-CE2 3.44Å; F42-F69 AromaticContact CE2-CZ 3.52Å; F42-F69 HydrophobicContact CE2-CZ 3.52Å; F42-F69 HydrophobicContact CG-CZ 4.24Å; F69-E71 VanDerWaalsContact C-N 3.3Å; F69-E71 PolarHBondContact O-N 2.95Å; F69-C72 WeakPolarHBondContact O-CB 3.5Å; F69-C72 PolarHBondContact O-N 2.91Å; F69-Y73 PolarHBondContact O-N 2.86Å; F69-F87 HydrophobicContact CB-CD1 3.7Å; F69-F87 HydrophobicContact CB-CE1 3.98Å; F69-F87 HydrophobicContact CB-CG 4.28Å; F69-F87 HydrophobicContact CD2-CB 4.01Å; F69-F87 HydrophobicContact CD2-CD1 4.08Å; F69-F87 HydrophobicContact CD2-CG 4.35Å; F69-F87 HydrophobicContact CG-CD1 4.42Å; F69-D115 HydrophobicContact CD2-CB 4.33Å; F69-D115 HydrophobicContact CE2-CB 4.34Å; F69-I117 HydrophobicContact CD2-CD1 4.28Å; F69-I117 HydrophobicContact CD2-CG1 4.44Å; F69-I117 HydrophobicContact CE1-CG1 4.32Å; F69-I117 HydrophobicContact CE2-CD1 3.72Å; F69-I117 HydrophobicContact CE2-CG1 3.43Å; F69-I117 VanDerWaalsContact CE2-CG1 3.43Å; F69-I117 HydrophobicContact CZ-CD1 3.89Å; F69-I117 HydrophobicContact CZ-CG1 3.35Å
70	K	89.5	Confident	90.7	Very high	97 Å²	97	58.2 Å²	58.2	42%	0.422	29%	0.293	S	S	.	.	H	α-helix	trans	-64.6	-34.2	180	-173	170.1	-176.4	170.1	0	112.2	I32 S68 F74	I32-K70 HydrophobicContact CG2-CG 4.37Å; S68-K70 PolarHBondContact O-N 3.2Å; K70-F74 HydrophobicContact CD-CE2 4.36Å; K70-F74 HydrophobicContact CG-CD2 4.17Å; K70-F74 HydrophobicContact CG-CE2 3.78Å; K70-F74 WeakPolarHBondContact O-CD2 3.06Å; K70-F74 PolarHBondContact O-N 3.45Å; K70-F74 VanDerWaalsContact O-N 3.12Å
71	E	91.3	Very high	90.5	Very high	60 Å²	60	60.6 Å²	60.6	28%	0.28	30%	0.304	S	S	.	.	H	α-helix	trans	-71.9	-39.4	173.4	-171.3	179	179	0	0	111.6	V66 S67 S68 F69 Y73 F74 M75	V66-E71 HydrophobicContact CB-CB 4.05Å; V66-E71 HydrophobicContact CB-CG 3.85Å; V66-E71 HydrophobicContact CG1-CG 3.98Å; S67-E71 WeakPolarHBondContact CB-OE2 3.4Å; S67-E71 PolarHBondContact N-OE2 2.87Å; S67-E71 PolarHBondContact OG-OE2 2.74Å; S68-E71 WeakPolarHBondContact O-CB 3.37Å; S68-E71 PolarHBondContact O-N 2.86Å; S68-E71 VanDerWaalsContact O-N 3.11Å; S68-E71 PolarHBondContact OG-N 2.95Å; F69-E71 VanDerWaalsContact C-N 3.3Å; F69-E71 PolarHBondContact O-N 2.95Å; E71-Y73 VanDerWaalsContact C-N 3.32Å; E71-Y73 PolarHBondContact O-N 2.85Å; E71-F74 PolarHBondContact O-N 2.66Å; E71-M75 HydrophobicContact CG-CE 4.49Å; E71-M75 VanDerWaalsContact O-CG 3.29Å; E71-M75 WeakPolarHBondContact O-CG 3.21Å; E71-M75 PolarHBondContact O-N 2.64Å
72	C	93.2	Very high	90.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.4	-43.2	171.4	-172.5	0	0	0	0	112.1	V66 S68 F69 M75 C76 F87 C95 I117	V66-C72 HydrophobicContact CG2-CB 4.03Å; S68-C72 PolarHBondContact O-N 2.85Å; S68-C72 VanDerWaalsContact O-N 3.08Å; F69-C72 WeakPolarHBondContact O-CB 3.5Å; F69-C72 PolarHBondContact O-N 2.91Å; C72-M75 PolarHBondContact O-N 2.72Å; C72-C76 PolarHBondContact O-N 2.95Å; C72-F87 HydrophobicContact CB-CB 4.1Å; C72-F87 HydrophobicContact CB-CD2 4.09Å; C72-F87 HydrophobicContact CB-CG 4.36Å; C72-C95 WeakPolarHBondContact CA-SG 3.33Å; C72-C95 HydrophobicContact CB-CB 3.65Å; C72-C95 WeakPolarHBondContact CB-SG 3.33Å; C72-C95 WeakPolarHBondContact SG-CB 3.26Å; C72-C95 CovalentContact SG-SG 2.04Å; C72-C95 PolarHBondContact SG-SG 2.88Å; C72-I117 HydrophobicContact CB-CD1 4.13Å
73	Y	91.7	Very high	90.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-49.6	173.8	168.5	-106.4	0	0	0	112.3	I32 C36 F40 F69 E71 M75 C76 C77 I117 L119	I32-Y73 HydrophobicContact CG2-CD1 4.3Å; I32-Y73 HydrophobicContact CG2-CE1 4.39Å; C36-Y73 VanDerWaalsContact CB-OH 3.25Å; C36-Y73 WeakPolarHBondContact CB-OH 3.47Å; F40-Y73 HydrophobicContact CB-CD2 4.5Å; F40-Y73 HydrophobicContact CB-CE2 3.88Å; F40-Y73 AromaticContact CD1-CE2 3.61Å; F40-Y73 HydrophobicContact CD1-CE2 3.61Å; F40-Y73 AromaticContact CD1-CZ 3.84Å; F40-Y73 HydrophobicContact CD2-CE2 4.33Å; F40-Y73 HydrophobicContact CE1-CE2 4.3Å; F40-Y73 HydrophobicContact CG-CD2 4.24Å; F40-Y73 AromaticContact CG-CE2 3.65Å; F40-Y73 HydrophobicContact CG-CE2 3.65Å; F69-Y73 PolarHBondContact O-N 2.86Å; E71-Y73 VanDerWaalsContact C-N 3.32Å; E71-Y73 PolarHBondContact O-N 2.85Å; Y73-M75 PolarHBondContact O-N 2.81Å; Y73-C76 PolarHBondContact O-N 3.07Å; Y73-C77 VanDerWaalsContact O-CB 3.25Å; Y73-C77 WeakPolarHBondContact O-CB 3.37Å; Y73-C77 PolarHBondContact O-N 2.88Å; Y73-I117 HydrophobicContact CD2-CG2 4.03Å; Y73-L119 HydrophobicContact CD2-CD2 4.12Å; Y73-L119 HydrophobicContact CE2-CD2 3.77Å
74	F	90.5	Very high	90.5	Very high	61 Å²	61	51 Å²	51	27%	0.268	26%	0.263	S	S	.	.	H	α-helix	trans	-65.1	-36.9	178.4	-74.4	-53.3	0	0	0	113.3	N35 K70 E71 C77 N78	N35-F74 HydrophobicContact CB-CE1 4.38Å; K70-F74 HydrophobicContact CD-CE2 4.36Å; K70-F74 HydrophobicContact CG-CD2 4.17Å; K70-F74 HydrophobicContact CG-CE2 3.78Å; K70-F74 WeakPolarHBondContact O-CD2 3.06Å; K70-F74 PolarHBondContact O-N 3.45Å; K70-F74 VanDerWaalsContact O-N 3.12Å; E71-F74 PolarHBondContact O-N 2.66Å; F74-C77 WeakPolarHBondContact O-CB 3.34Å; F74-C77 PolarHBondContact O-N 2.53Å; F74-N78 WeakPolarHBondContact O-CB 3.42Å; F74-N78 VanDerWaalsContact O-CG 3.22Å; F74-N78 PolarHBondContact O-N 2.6Å; F74-N78 PolarHBondContact O-ND2 3.2Å
75	M	91.6	Very high	90.7	Very high	70 Å²	70	49.3 Å²	49.3	35%	0.345	25%	0.254	S	S	.	.	H	α-helix	trans	-63.9	-42.2	175.8	-69.8	-67.3	-175	0	0	112.2	L64 V66 E71 C72 Y73 T79 M97	L64-M75 HydrophobicContact CD1-CB 3.78Å; L64-M75 HydrophobicContact CD1-CG 3.76Å; L64-M75 HydrophobicContact CD1-SD 3.85Å; V66-M75 HydrophobicContact CG1-CG 4.3Å; E71-M75 HydrophobicContact CG-CE 4.49Å; E71-M75 VanDerWaalsContact O-CG 3.29Å; E71-M75 WeakPolarHBondContact O-CG 3.21Å; E71-M75 PolarHBondContact O-N 2.64Å; C72-M75 PolarHBondContact O-N 2.72Å; Y73-M75 PolarHBondContact O-N 2.81Å; M75-T79 PolarHBondContact O-OG1 2.97Å; M75-M97 HydrophobicContact CB-SD 4.24Å
76	C	93.1	Very high	90.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68.4	-45.8	173.9	-173	0	0	0	0	111.8	C72 Y73 N78 T79 C82 A85 L119	C72-C76 PolarHBondContact O-N 2.95Å; Y73-C76 PolarHBondContact O-N 3.07Å; C76-N78 VanDerWaalsContact C-N 3.34Å; C76-N78 PolarHBondContact O-N 3.17Å; C76-T79 PolarHBondContact O-N 2.99Å; C76-C82 VanDerWaalsContact CA-SG 3.52Å; C76-C82 HydrophobicContact CB-CB 4.04Å; C76-C82 WeakPolarHBondContact CB-SG 3.36Å; C76-C82 WeakPolarHBondContact O-CB 3.37Å; C76-C82 WeakPolarHBondContact SG-CB 3.47Å; C76-C82 CovalentContact SG-SG 2.04Å; C76-C82 PolarHBondContact SG-SG 2.91Å; C76-A85 HydrophobicContact CB-CB 3.68Å; C76-L119 HydrophobicContact CB-CD1 4.32Å; C76-L119 VanDerWaalsContact SG-CD1 3.54Å
77	C	92	Very high	91	Very high	9 Å²	9	41.9 Å²	41.9	6%	0.061	22%	0.221	C	C	.	.	H	α-helix	trans	-48.6	-54.2	177.5	170.9	0	0	0	0	112.5	C36 K38 Y73 F74 T79	C36-C77 WeakPolarHBondContact CA-SG 3.33Å; C36-C77 HydrophobicContact CB-CB 4.07Å; C36-C77 WeakPolarHBondContact CB-SG 3.29Å; C36-C77 VanDerWaalsContact SG-CA 3.59Å; C36-C77 WeakPolarHBondContact SG-CB 2.9Å; C36-C77 CovalentContact SG-SG 2.02Å; C36-C77 PolarHBondContact SG-SG 3.33Å; K38-C77 PolarHBondContact NZ-O 3.33Å; Y73-C77 VanDerWaalsContact O-CB 3.25Å; Y73-C77 WeakPolarHBondContact O-CB 3.37Å; Y73-C77 PolarHBondContact O-N 2.88Å; F74-C77 WeakPolarHBondContact O-CB 3.34Å; F74-C77 PolarHBondContact O-N 2.53Å; C77-T79 PolarHBondContact O-N 3.28Å
78	N	89.3	Confident	91.4	Very high	123 Å²	123	38.3 Å²	38.3	66%	0.658	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-5.4	-176.8	-66.3	-11.4	0	0	0	113.6	F74 C76	F74-N78 WeakPolarHBondContact O-CB 3.42Å; F74-N78 VanDerWaalsContact O-CG 3.22Å; F74-N78 PolarHBondContact O-N 2.6Å; F74-N78 PolarHBondContact O-ND2 3.2Å; C76-N78 VanDerWaalsContact C-N 3.34Å; C76-N78 PolarHBondContact O-N 3.17Å
79	T	89.4	Confident	91.1	Very high	48 Å²	48	38.5 Å²	38.5	29%	0.294	20%	0.196	S	C	.	.			trans	-103.2	111.3	-179.3	-60.7	0	0	0	0	109.6	M75 C76 C77 E81 C82 M97	M75-T79 PolarHBondContact O-OG1 2.97Å; C76-T79 PolarHBondContact O-N 2.99Å; C77-T79 PolarHBondContact O-N 3.28Å; T79-E81 HydrophobicContact CG2-CB 4.47Å; T79-E81 PolarHBondContact O-N 3.47Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-C82 HydrophobicContact CG2-CB 3.98Å; T79-C82 PolarHBondContact O-N 3.48Å; T79-M97 HydrophobicContact CG2-CE 3.81Å; T79-M97 VanDerWaalsContact OG1-CE 3.24Å; T79-M97 WeakPolarHBondContact OG1-CE 3.45Å
80	N	86.2	Confident	90.4	Very high	135 Å²	135	42.7 Å²	42.7	72%	0.722	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.3	-176.8	-68	-12.4	0	0	0	114.4	R101	N80-R101 PolarHBondContact O-NH1 2.61Å; N80-R101 PolarHBondContact O-NH2 3.17Å
81	E	88.3	Confident	89.5	Confident	89 Å²	89	42.1 Å²	42.1	42%	0.416	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-16.8	173.3	-65.8	-171.1	-164.9	0	0	113.9	K59 L61 T79 S83 D99 R101	K59-E81 IonicContact NZ-OE1 2.87Å; K59-E81 IonicContact NZ-OE2 2.72Å; K59-E81 PolarHBondContact NZ-OE2 2.95Å; L61-E81 VanDerWaalsContact CD1-C 3.5Å; L61-E81 HydrophobicContact CD1-CB 3.86Å; L61-E81 WeakPolarHBondContact CD1-O 3.32Å; L61-E81 HydrophobicContact CD2-CB 3.86Å; L61-E81 VanDerWaalsContact CD2-OE2 3.3Å; L61-E81 WeakPolarHBondContact CD2-OE2 3.43Å; T79-E81 HydrophobicContact CG2-CB 4.47Å; T79-E81 PolarHBondContact O-N 3.47Å; T79-E81 VanDerWaalsContact O-N 3.11Å; E81-S83 PolarHBondContact O-N 2.92Å; E81-D99 WeakPolarHBondContact O-CB 3.24Å; E81-R101 PolarHBondContact O-NH2 3.04Å
82	C	92.6	Very high	88.9	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.007	23%	0.228	C	C	.	.			trans	-81.9	122.9	-173.4	-166	0	0	0	0	111.5	L61 C76 T79 T84 M97	L61-C82 HydrophobicContact CD1-CB 3.99Å; C76-C82 VanDerWaalsContact CA-SG 3.52Å; C76-C82 HydrophobicContact CB-CB 4.04Å; C76-C82 WeakPolarHBondContact CB-SG 3.36Å; C76-C82 WeakPolarHBondContact O-CB 3.37Å; C76-C82 WeakPolarHBondContact SG-CB 3.47Å; C76-C82 CovalentContact SG-SG 2.04Å; C76-C82 PolarHBondContact SG-SG 2.91Å; T79-C82 HydrophobicContact CG2-CB 3.98Å; T79-C82 PolarHBondContact O-N 3.48Å; C82-T84 PolarHBondContact SG-O 2.94Å; C82-M97 HydrophobicContact CB-CE 4.2Å
83	S	92.3	Very high	88.6	Confident	10 Å²	10	45.7 Å²	45.7	7%	0.07	25%	0.248	C	C	.	.	S	Bend	trans	-114.4	-17.6	170.4	81.3	0	0	0	0	112.7	E81 F98 C100 L119	E81-S83 PolarHBondContact O-N 2.92Å; S83-F98 PolarHBondContact N-O 2.59Å; S83-C100 WeakPolarHBondContact OG-CA 3.11Å; S83-C100 WeakPolarHBondContact OG-CB 3.32Å; S83-C100 PolarHBondContact OG-N 2.95Å; S83-L119 PolarHBondContact O-N 3.14Å
84	T	93.5	Very high	88.6	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	147.9	168.8	-167.4	0	0	0	0	111.2	C82 I86 F98 C100 I117	C82-T84 PolarHBondContact SG-O 2.94Å; T84-I86 HydrophobicContact CG2-CD1 4.16Å; T84-F98 HydrophobicContact CG2-CB 3.81Å; T84-F98 HydrophobicContact CG2-CD2 4.5Å; T84-F98 PolarHBondContact N-O 3.28Å; T84-F98 VanDerWaalsContact N-O 3.13Å; T84-F98 PolarHBondContact O-N 3.16Å; T84-C100 WeakPolarHBondContact CG2-SG 3.42Å; T84-I117 CarbonylContact C-O 3.54Å; T84-I117 WeakPolarHBondContact CA-O 3.44Å; T84-I117 WeakPolarHBondContact CB-O 3.49Å; T84-I117 PolarHBondContact OG1-O 2.75Å
85	A	94.8	Very high	88.8	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.9	170.1	0	0	0	0	0	110.8	C76 F96 M97 I117	C76-A85 HydrophobicContact CB-CB 3.68Å; A85-F96 CarbonylContact C-O 3.31Å; A85-F96 VanDerWaalsContact CA-O 3.27Å; A85-F96 WeakPolarHBondContact CA-O 3.34Å; A85-M97 HydrophobicContact CB-CG 4Å; A85-I117 HydrophobicContact CB-CD1 4.32Å; A85-I117 PolarHBondContact N-O 3.03Å; A85-I117 WeakPolarHBondContact O-CB 3.42Å; A85-I117 PolarHBondContact O-N 2.92Å
86	I	94.7	Very high	88.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.7	-179.9	-63.5	70.6	0	0	0	106.7	I48 T84 C95 F96 F98 Y114	I48-I86 HydrophobicContact CB-CD1 3.94Å; I48-I86 HydrophobicContact CB-CG1 4.15Å; I48-I86 HydrophobicContact CG2-CD1 3.74Å; I48-I86 HydrophobicContact CG2-CG1 3.91Å; T84-I86 HydrophobicContact CG2-CD1 4.16Å; I86-C95 CarbonylContact O-C 3.5Å; I86-C95 WeakPolarHBondContact O-CA 3.37Å; I86-F96 PolarHBondContact N-O 3.01Å; I86-F96 PolarHBondContact O-N 2.86Å; I86-F98 HydrophobicContact CD1-CD2 3.77Å; I86-F98 HydrophobicContact CD1-CE2 3.87Å; I86-Y114 HydrophobicContact CG2-CD1 3.64Å; I86-Y114 HydrophobicContact CG2-CG 4.12Å
87	F	94.9	Very high	88.9	Confident	12 Å²	12	39.9 Å²	39.9	5%	0.053	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	135.2	174.1	178.9	-116.7	0	0	0	110.1	V66 F69 C72 S89 Q93 S94 Y114 D115	V66-F87 HydrophobicContact CG2-CD2 3.83Å; V66-F87 HydrophobicContact CG2-CE2 3.7Å; F69-F87 HydrophobicContact CB-CD1 3.7Å; F69-F87 HydrophobicContact CB-CE1 3.98Å; F69-F87 HydrophobicContact CB-CG 4.28Å; F69-F87 HydrophobicContact CD2-CB 4.01Å; F69-F87 HydrophobicContact CD2-CD1 4.08Å; F69-F87 HydrophobicContact CD2-CG 4.35Å; F69-F87 HydrophobicContact CG-CD1 4.42Å; C72-F87 HydrophobicContact CB-CB 4.1Å; C72-F87 HydrophobicContact CB-CD2 4.09Å; C72-F87 HydrophobicContact CB-CG 4.36Å; F87-S89 WeakPolarHBondContact CD1-OG 3.33Å; F87-S89 WeakPolarHBondContact CE1-OG 3.24Å; F87-Q93 HydrophobicContact CE2-CB 4.4Å; F87-S94 CarbonylContact C-O 3.47Å; F87-S94 WeakPolarHBondContact CA-O 3.27Å; F87-Y114 WeakPolarHBondContact O-CA 3.38Å; F87-D115 PolarHBondContact N-O 2.81Å; F87-D115 PolarHBondContact O-N 3.38Å
88	E	92.6	Very high	89.1	Confident	7 Å²	7	39.5 Å²	39.5	3%	0.033	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	96.6	176.6	-168.3	-153.5	134.1	0	0	110.9	K90 A91 T92 Q93 S94 F96 Y114	E88-K90 VanDerWaalsContact C-N 3.26Å; E88-K90 PolarHBondContact O-N 2.89Å; E88-K90 VanDerWaalsContact O-N 3.16Å; E88-A91 WeakPolarHBondContact OE1-CA 3.31Å; E88-A91 WeakPolarHBondContact OE1-CB 3.44Å; E88-A91 PolarHBondContact OE1-N 2.96Å; E88-T92 PolarHBondContact OE1-N 2.69Å; E88-T92 WeakPolarHBondContact OE2-CB 3.46Å; E88-T92 WeakPolarHBondContact OE2-CG2 3.18Å; E88-T92 PolarHBondContact OE2-OG1 2.81Å; E88-Q93 WeakPolarHBondContact O-CA 3.36Å; E88-Q93 PolarHBondContact O-N 2.94Å; E88-S94 PolarHBondContact N-O 2.94Å; E88-F96 HydrophobicContact CB-CE2 4.33Å; E88-Y114 HydrophobicContact CB-CD1 3.8Å; E88-Y114 HydrophobicContact CB-CE1 3.54Å; E88-Y114 HydrophobicContact CG-CD1 3.85Å; E88-Y114 HydrophobicContact CG-CE1 3.39Å
89	S	83.1	Confident	89.3	Confident	46 Å²	46	34.9 Å²	34.9	32%	0.322	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.6	-169	-65.4	0	0	0	0	115.5	F87 N113 D115	F87-S89 WeakPolarHBondContact CD1-OG 3.33Å; F87-S89 WeakPolarHBondContact CE1-OG 3.24Å; S89-N113 PolarHBondContact N-O 2.94Å; S89-D115 WeakPolarHBondContact CB-OD2 3Å; S89-D115 PolarHBondContact OG-OD2 3.09Å
90	K	73.6	Confident	89.4	Confident	129 Å²	129	33.7 Å²	33.7	56%	0.561	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.1	-39.7	-167.2	-60.6	-164.2	-156.4	151.3	0	119.8	E88 S112 N113	E88-K90 VanDerWaalsContact C-N 3.26Å; E88-K90 PolarHBondContact O-N 2.89Å; E88-K90 VanDerWaalsContact O-N 3.16Å; K90-S112 WeakPolarHBondContact CE-O 3.44Å; K90-S112 PolarHBondContact NZ-O 3.27Å; K90-N113 HydrophobicContact CB-CB 4.43Å; K90-N113 WeakPolarHBondContact CD-OD1 3.41Å; K90-N113 WeakPolarHBondContact CE-OD1 3.25Å; K90-N113 PolarHBondContact NZ-OD1 3.45Å
91	A	71.2	Confident	89.4	Confident	85 Å²	85	31 Å²	31	70%	0.702	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-50.1	-175.2	0	0	0	0	0	113.7	E88	E88-A91 WeakPolarHBondContact OE1-CA 3.31Å; E88-A91 WeakPolarHBondContact OE1-CB 3.44Å; E88-A91 PolarHBondContact OE1-N 2.96Å
92	T	77.7	Confident	89	Confident	45 Å²	45	35.9 Å²	35.9	28%	0.276	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-18.6	-174.8	80.8	0	0	0	0	115.5	K65 E88 S94 T461	K65-T92 WeakPolarHBondContact CE-O 3.24Å; E88-T92 PolarHBondContact OE1-N 2.69Å; E88-T92 WeakPolarHBondContact OE2-CB 3.46Å; E88-T92 WeakPolarHBondContact OE2-CG2 3.18Å; E88-T92 PolarHBondContact OE2-OG1 2.81Å; T92-S94 VanDerWaalsContact C-N 3.28Å; T92-S94 WeakPolarHBondContact OG1-CB 3.46Å; T92-S94 PolarHBondContact OG1-N 2.95Å; T92-S94 PolarHBondContact OG1-OG 2.62Å; T92-T461 HydrophobicContact CG2-CG2 4.45Å
93	Q	86.6	Confident	88.5	Confident	90 Å²	90	42 Å²	42	42%	0.421	23%	0.229	S	C	.	.			trans	54.7	42.3	-166.7	-52	-173.1	-54	0	0	112.6	V66 F87 E88	V66-Q93 PolarHBondContact N-O 2.85Å; V66-Q93 VanDerWaalsContact O-CB 3.31Å; V66-Q93 WeakPolarHBondContact O-CB 3.35Å; F87-Q93 HydrophobicContact CE2-CB 4.4Å; E88-Q93 WeakPolarHBondContact O-CA 3.36Å; E88-Q93 PolarHBondContact O-N 2.94Å
94	S	92.3	Very high	88	Confident	5 Å²	5	41.9 Å²	41.9	4%	0.035	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	148.3	175.1	-64.3	0	0	0	0	112.4	K63 L64 F87 E88 T92 F96	K63-S94 WeakPolarHBondContact CE-OG 3.21Å; L64-S94 CarbonylContact O-C 3.6Å; L64-S94 WeakPolarHBondContact O-CA 3.39Å; F87-S94 CarbonylContact C-O 3.47Å; F87-S94 WeakPolarHBondContact CA-O 3.27Å; E88-S94 PolarHBondContact N-O 2.94Å; T92-S94 VanDerWaalsContact C-N 3.28Å; T92-S94 WeakPolarHBondContact OG1-CB 3.46Å; T92-S94 PolarHBondContact OG1-N 2.95Å; T92-S94 PolarHBondContact OG1-OG 2.62Å; S94-F96 VanDerWaalsContact CB-CE2 3.46Å
95	C	94.7	Very high	87.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.8	167.4	-175.4	0	0	0	0	108	K63 L64 V66 C72 I86	K63-C95 WeakPolarHBondContact CA-O 3.41Å; L64-C95 HydrophobicContact CB-CB 4.44Å; L64-C95 PolarHBondContact N-O 2.04Å; L64-C95 PolarHBondContact O-N 2.78Å; V66-C95 HydrophobicContact CG1-CB 4.11Å; V66-C95 HydrophobicContact CG2-CB 3.8Å; C72-C95 WeakPolarHBondContact CA-SG 3.33Å; C72-C95 HydrophobicContact CB-CB 3.65Å; C72-C95 WeakPolarHBondContact CB-SG 3.33Å; C72-C95 WeakPolarHBondContact SG-CB 3.26Å; C72-C95 CovalentContact SG-SG 2.04Å; C72-C95 PolarHBondContact SG-SG 2.88Å; I86-C95 CarbonylContact O-C 3.5Å; I86-C95 WeakPolarHBondContact O-CA 3.37Å
96	F	94.4	Very high	87.7	Confident	1 Å²	1	48.2 Å²	48.2	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.4	179.3	-57.4	-96.1	0	0	0	109	F60 K63 A85 I86 E88 S94 F98 Y114 P460 T461	F60-F96 HydrophobicContact CE2-CB 4.37Å; F60-F96 HydrophobicContact CE2-CD1 4.48Å; K63-F96 HydrophobicContact CB-CD1 4.3Å; K63-F96 HydrophobicContact CB-CE1 4.49Å; K63-F96 HydrophobicContact CD-CD1 4.26Å; K63-F96 HydrophobicContact CD-CE1 3.63Å; K63-F96 HydrophobicContact CD-CZ 4.22Å; K63-F96 HydrophobicContact CG-CD1 3.89Å; K63-F96 HydrophobicContact CG-CE1 3.73Å; K63-F96 HydrophobicContact CG-CZ 4.36Å; A85-F96 CarbonylContact C-O 3.31Å; A85-F96 VanDerWaalsContact CA-O 3.27Å; A85-F96 WeakPolarHBondContact CA-O 3.34Å; I86-F96 PolarHBondContact N-O 3.01Å; I86-F96 PolarHBondContact O-N 2.86Å; E88-F96 HydrophobicContact CB-CE2 4.33Å; S94-F96 VanDerWaalsContact CB-CE2 3.46Å; F96-F98 HydrophobicContact CB-CE2 3.78Å; F96-F98 HydrophobicContact CB-CZ 4.47Å; F96-Y114 HydrophobicContact CE2-CE1 4.11Å; F96-P460 HydrophobicContact CD1-CB 3.65Å; F96-P460 HydrophobicContact CD2-CB 4.22Å; F96-P460 HydrophobicContact CE1-CB 3.61Å; F96-P460 HydrophobicContact CE2-CB 4.19Å; F96-P460 HydrophobicContact CG-CB 3.96Å; F96-P460 HydrophobicContact CZ-CB 3.89Å; F96-T461 HydrophobicContact CZ-CG2 3.92Å
97	M	94	Very high	87.6	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.6	-170.4	-68.2	160.3	53.9	0	0	111.6	F60 L61 K62 L64 M75 T79 C82 A85	F60-M97 WeakPolarHBondContact CD2-O 3.33Å; L61-M97 HydrophobicContact CB-CB 4.24Å; L61-M97 WeakPolarHBondContact CB-O 3.1Å; L61-M97 PolarHBondContact N-O 3.05Å; K62-M97 PolarHBondContact O-N 3.13Å; L64-M97 HydrophobicContact CD1-SD 3.75Å; L64-M97 HydrophobicContact CG-SD 4.47Å; M75-M97 HydrophobicContact CB-SD 4.24Å; T79-M97 HydrophobicContact CG2-CE 3.81Å; T79-M97 VanDerWaalsContact OG1-CE 3.24Å; T79-M97 WeakPolarHBondContact OG1-CE 3.45Å; C82-M97 HydrophobicContact CB-CE 4.2Å; A85-M97 HydrophobicContact CB-CG 4Å
98	F	94.7	Very high	87.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.9	-177	-58.9	-102.9	0	0	0	112	I48 T50 K59 F60 S83 T84 I86 F96	I48-F98 HydrophobicContact CD1-CB 4.4Å; I48-F98 HydrophobicContact CD1-CD1 3.98Å; I48-F98 HydrophobicContact CD1-CD2 4.12Å; I48-F98 HydrophobicContact CD1-CE1 4.25Å; I48-F98 HydrophobicContact CD1-CE2 4.38Å; I48-F98 HydrophobicContact CD1-CG 3.93Å; I48-F98 HydrophobicContact CD1-CZ 4.45Å; I48-F98 HydrophobicContact CG2-CD2 4.4Å; I48-F98 HydrophobicContact CG2-CE1 4.49Å; I48-F98 HydrophobicContact CG2-CE2 3.75Å; I48-F98 HydrophobicContact CG2-CZ 3.81Å; T50-F98 HydrophobicContact CG2-CE1 4.48Å; T50-F98 HydrophobicContact CG2-CZ 4.17Å; K59-F98 CarbonylContact O-C 3.58Å; K59-F98 VanDerWaalsContact O-CA 3.26Å; K59-F98 WeakPolarHBondContact O-CA 2.99Å; F60-F98 HydrophobicContact CB-CD1 3.99Å; F60-F98 HydrophobicContact CB-CE1 3.91Å; F60-F98 AromaticContact CD2-CD1 3.91Å; F60-F98 HydrophobicContact CD2-CD1 3.91Å; F60-F98 HydrophobicContact CD2-CD2 4.43Å; F60-F98 AromaticContact CD2-CE1 3.53Å; F60-F98 HydrophobicContact CD2-CE1 3.53Å; F60-F98 HydrophobicContact CD2-CE2 4.09Å; F60-F98 HydrophobicContact CD2-CG 4.34Å; F60-F98 AromaticContact CD2-CZ 3.63Å; F60-F98 HydrophobicContact CD2-CZ 3.63Å; F60-F98 HydrophobicContact CE2-CE1 4.48Å; F60-F98 HydrophobicContact CE2-CE2 4.41Å; F60-F98 HydrophobicContact CE2-CZ 4.15Å; F60-F98 HydrophobicContact CG-CD1 4.45Å; F60-F98 HydrophobicContact CG-CE1 4.12Å; S83-F98 PolarHBondContact N-O 2.59Å; T84-F98 HydrophobicContact CG2-CB 3.81Å; T84-F98 HydrophobicContact CG2-CD2 4.5Å; T84-F98 PolarHBondContact N-O 3.28Å; T84-F98 VanDerWaalsContact N-O 3.13Å; T84-F98 PolarHBondContact O-N 3.16Å; I86-F98 HydrophobicContact CD1-CD2 3.77Å; I86-F98 HydrophobicContact CD1-CE2 3.87Å; F96-F98 HydrophobicContact CB-CE2 3.78Å; F96-F98 HydrophobicContact CB-CZ 4.47Å
99	D	93.4	Very high	87.5	Confident	26 Å²	26	54.4 Å²	54.4	14%	0.139	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.2	163.1	-163.6	-11.2	0	0	0	109.7	A58 K59 L61 E81 R101	A58-D99 CarbonylContact C-O 3.58Å; A58-D99 WeakPolarHBondContact CA-O 3.28Å; A58-D99 WeakPolarHBondContact CB-O 3Å; K59-D99 HydrophobicContact CB-CB 4.2Å; K59-D99 PolarHBondContact N-O 2.75Å; K59-D99 PolarHBondContact O-N 2.01Å; L61-D99 HydrophobicContact CD1-CB 4.41Å; L61-D99 HydrophobicContact CD2-CB 4.31Å; E81-D99 WeakPolarHBondContact O-CB 3.24Å; D99-R101 WeakPolarHBondContact OD1-CB 3.39Å; D99-R101 WeakPolarHBondContact OD1-CG 3.49Å; D99-R101 IonicContact OD1-CZ 2.77Å; D99-R101 PolarHBondContact OD1-N 2.77Å; D99-R101 IonicContact OD1-NE 3.68Å; D99-R101 PolarHBondContact OD1-NE 3.03Å; D99-R101 IonicContact OD1-NH2 2.72Å; D99-R101 IonicContact OD2-CZ 3.77Å; D99-R101 IonicContact OD2-NE 3.78Å; D99-R101 PolarHBondContact OD2-NE 2.91Å; D99-R101 IonicContact OD2-NH2 3.73Å; D99-R101 PolarHBondContact OD2-NH2 3.14Å
100	C	91.8	Very high	87.8	Confident	24 Å²	24	56.8 Å²	56.8	16%	0.162	31%	0.307	C	S	.	.			trans	-123.4	15.2	-179.7	-51.7	0	0	0	0	112	S83 T84 G104 C106	S83-C100 WeakPolarHBondContact OG-CA 3.11Å; S83-C100 WeakPolarHBondContact OG-CB 3.32Å; S83-C100 PolarHBondContact OG-N 2.95Å; T84-C100 WeakPolarHBondContact CG2-SG 3.42Å; C100-G104 VanDerWaalsContact O-O 3.11Å; C100-C106 HydrophobicContact CB-CB 3.69Å; C100-C106 WeakPolarHBondContact CB-SG 3.19Å; C100-C106 WeakPolarHBondContact SG-CB 3.41Å; C100-C106 CovalentContact SG-SG 2.01Å; C100-C106 PolarHBondContact SG-SG 2.99Å
101	R	87.1	Confident	88.5	Confident	78 Å²	78	53.4 Å²	53.4	29%	0.294	29%	0.293	S	S	.	.	S	Bend	trans	-79	158	174.7	-61.9	168.8	-60.6	177.9	12.1	109.5	N80 E81 D99 G104 E121	N80-R101 PolarHBondContact O-NH1 2.61Å; N80-R101 PolarHBondContact O-NH2 3.17Å; E81-R101 PolarHBondContact O-NH2 3.04Å; D99-R101 WeakPolarHBondContact OD1-CB 3.39Å; D99-R101 WeakPolarHBondContact OD1-CG 3.49Å; D99-R101 IonicContact OD1-CZ 2.77Å; D99-R101 PolarHBondContact OD1-N 2.77Å; D99-R101 IonicContact OD1-NE 3.68Å; D99-R101 PolarHBondContact OD1-NE 3.03Å; D99-R101 IonicContact OD1-NH2 2.72Å; D99-R101 IonicContact OD2-CZ 3.77Å; D99-R101 IonicContact OD2-NE 3.78Å; D99-R101 PolarHBondContact OD2-NE 2.91Å; D99-R101 IonicContact OD2-NH2 3.73Å; D99-R101 PolarHBondContact OD2-NH2 3.14Å; R101-G104 WeakPolarHBondContact O-CA 3.31Å; R101-G104 PolarHBondContact O-N 3.19Å; R101-E121 VanDerWaalsContact CD-OE1 3.3Å; R101-E121 WeakPolarHBondContact CD-OE1 3.33Å; R101-E121 WeakPolarHBondContact CD-OE2 3.48Å; R101-E121 IonicContact CZ-OE1 2.66Å; R101-E121 IonicContact NE-OE1 2.67Å; R101-E121 IonicContact NH1-OE1 3.7Å; R101-E121 PolarHBondContact NH1-OE1 3.08Å
102	Q	79.9	Confident	89.2	Confident	191 Å²	191	52.7 Å²	52.7	89%	0.893	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	136.4	-175.4	-65.5	-175.7	7.8	0	0	111.2
103	P	80.6	Confident	89.8	Confident	129 Å²	129	53.1 Å²	53.1	84%	0.838	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	cis	-80.5	-3.8	11.7	33.5	-37.9	0	0	0	115.8
104	G	82.9	Confident	90	Very high	8 Å²	8	49 Å²	49	8%	0.082	27%	0.265	C	S	.	.			trans	-69.6	150.6	-178.8	0	0	0	0	0	114.8	A56 G57 C100 R101	A56-G104 CarbonylContact O-C 3.6Å; A56-G104 VanDerWaalsContact O-CA 3.29Å; A56-G104 WeakPolarHBondContact O-CA 3.42Å; G57-G104 WeakPolarHBondContact O-CA 3.42Å; C100-G104 VanDerWaalsContact O-O 3.11Å; R101-G104 WeakPolarHBondContact O-CA 3.31Å; R101-G104 PolarHBondContact O-N 3.19Å
105	Q	88.8	Confident	90	Very high	116 Å²	116	50 Å²	50	54%	0.542	27%	0.269	S	S	.	.			trans	-138.1	129.8	166.9	-179	171.5	69.3	0	0	111.4	S53 A56 F107	S53-Q105 WeakPolarHBondContact CA-O 3.22Å; A56-Q105 HydrophobicContact CB-CB 4.36Å; A56-Q105 PolarHBondContact O-N 2.91Å; Q105-F107 HydrophobicContact CB-CE2 4.45Å; Q105-F107 HydrophobicContact CG-CE2 4.12Å; Q105-F107 HydrophobicContact CG-CZ 4.16Å
106	C	92.8	Very high	90	Very high	17 Å²	17	50 Å²	50	12%	0.115	27%	0.269	C	S	.	.			trans	-100.1	134.3	178.1	-68.1	0	0	0	0	113	I48 A58 C100 Y108	I48-C106 HydrophobicContact CD1-CB 3.96Å; I48-C106 HydrophobicContact CG1-CB 4.45Å; A58-C106 WeakPolarHBondContact CB-SG 3.3Å; C100-C106 HydrophobicContact CB-CB 3.69Å; C100-C106 WeakPolarHBondContact CB-SG 3.19Å; C100-C106 WeakPolarHBondContact SG-CB 3.41Å; C100-C106 CovalentContact SG-SG 2.01Å; C100-C106 PolarHBondContact SG-SG 2.99Å; C106-Y108 HydrophobicContact CB-CE2 4.22Å; C106-Y108 WeakPolarHBondContact O-CE2 3.33Å
107	F	93.1	Very high	89.9	Confident	62 Å²	62	50 Å²	50	27%	0.272	27%	0.269	S	S	.	.			trans	-109.1	145.6	177.7	-63.1	-91.7	0	0	0	110	L49 K52 S53 A56 Q105	L49-F107 HydrophobicContact CB-CB 4.19Å; L49-F107 HydrophobicContact CD1-CB 4.16Å; L49-F107 PolarHBondContact N-O 2.75Å; K52-F107 HydrophobicContact CB-CD2 4.35Å; K52-F107 HydrophobicContact CD-CB 4.1Å; K52-F107 HydrophobicContact CD-CD1 4.24Å; K52-F107 HydrophobicContact CD-CD2 4.12Å; K52-F107 HydrophobicContact CD-CG 3.88Å; K52-F107 HydrophobicContact CG-CB 4.37Å; K52-F107 HydrophobicContact CG-CD2 3.72Å; K52-F107 HydrophobicContact CG-CE2 4.17Å; K52-F107 HydrophobicContact CG-CG 4.02Å; S53-F107 PolarHBondContact OG-N 2.93Å; A56-F107 HydrophobicContact CB-CE2 3.74Å; Q105-F107 HydrophobicContact CB-CE2 4.45Å; Q105-F107 HydrophobicContact CG-CE2 4.12Å; Q105-F107 HydrophobicContact CG-CZ 4.16Å
108	Y	93.2	Very high	89.8	Confident	59 Å²	59	51 Å²	51	23%	0.231	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.5	-174.6	-54.3	-87.6	0	0	0	111.6	I47 I48 C106 T116	I47-Y108 CarbonylContact O-C 3.26Å; I47-Y108 VanDerWaalsContact O-CA 3.27Å; I47-Y108 WeakPolarHBondContact O-CA 3.25Å; I48-Y108 HydrophobicContact CB-CD1 4.37Å; I48-Y108 HydrophobicContact CB-CE1 4.41Å; C106-Y108 HydrophobicContact CB-CE2 4.22Å; C106-Y108 WeakPolarHBondContact O-CE2 3.33Å; Y108-T116 HydrophobicContact CD1-CG2 4.04Å; Y108-T116 HydrophobicContact CE1-CG2 3.6Å
109	S	91	Very high	89.5	Confident	28 Å²	28	51.5 Å²	51.5	20%	0.196	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	166.2	169.3	58	0	0	0	0	110.6	R46 I47 L49	R46-S109 WeakPolarHBondContact CA-O 3.25Å; I47-S109 WeakPolarHBondContact CG2-OG 3.44Å; I47-S109 PolarHBondContact N-O 2.84Å; I47-S109 PolarHBondContact O-N 2.02Å; L49-S109 WeakPolarHBondContact CD2-OG 3.33Å
110	S	90.5	Very high	88.9	Confident	96 Å²	96	53.8 Å²	53.8	67%	0.671	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	130.8	176.8	-53.3	0	0	0	0	110.4	N45	N45-S110 CarbonylContact O-C 3.55Å; N45-S110 WeakPolarHBondContact O-CA 3.25Å
111	H	87.4	Confident	87.6	Confident	58 Å²	58	57 Å²	57	27%	0.269	30%	0.301	S	S	.	.			trans	-152.2	124.8	173.6	-162.2	-86.8	0	0	0	110.8	N45 I47 N113 Y114	N45-H111 CarbonylContact C-O 3.35Å; N45-H111 VanDerWaalsContact CA-O 3.31Å; N45-H111 WeakPolarHBondContact CA-O 3.36Å; N45-H111 PolarHBondContact O-N 3.31Å; I47-H111 HydrophobicContact CB-CB 3.93Å; I47-H111 HydrophobicContact CG2-CB 3.75Å; H111-N113 PolarHBondContact O-N 3.23Å; H111-Y114 HydrophobicContact CB-CD2 4.21Å; H111-Y114 AromaticContact CG-CD2 3.91Å; H111-Y114 AromaticContact ND1-CD2 3.34Å; H111-Y114 VanDerWaalsContact ND1-CD2 3.34Å; H111-Y114 WeakPolarHBondContact ND1-CD2 3.47Å; H111-Y114 AromaticContact ND1-CE2 3.81Å; H111-Y114 PolarHBondContact O-N 3.13Å
112	S	87.2	Confident	86	Confident	71 Å²	71	55.9 Å²	55.9	50%	0.497	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	6.7	-165.3	59	0	0	0	0	116.2	N45 K90	N45-S112 VanDerWaalsContact OD1-CA 3.31Å; N45-S112 WeakPolarHBondContact OD1-CA 3.19Å; K90-S112 WeakPolarHBondContact CE-O 3.44Å; K90-S112 PolarHBondContact NZ-O 3.27Å
113	N	89.1	Confident	84.4	Confident	54 Å²	54	51.7 Å²	51.7	29%	0.289	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-3.6	179.5	-62.6	-8	0	0	0	113	S89 K90 H111	S89-N113 PolarHBondContact N-O 2.94Å; K90-N113 HydrophobicContact CB-CB 4.43Å; K90-N113 WeakPolarHBondContact CD-OD1 3.41Å; K90-N113 WeakPolarHBondContact CE-OD1 3.25Å; K90-N113 PolarHBondContact NZ-OD1 3.45Å; H111-N113 PolarHBondContact O-N 3.23Å
114	Y	91.7	Very high	82.6	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.016	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.8	-175.1	-71.4	-73.8	0	0	0	110.3	N45 R46 I47 I86 F87 E88 F96 H111 D459	N45-Y114 CarbonylContact C-O 3.59Å; N45-Y114 VanDerWaalsContact C-O 3.31Å; N45-Y114 WeakPolarHBondContact CA-O 3.18Å; N45-Y114 PolarHBondContact N-O 2.7Å; R46-Y114 PolarHBondContact N-O 3.24Å; R46-Y114 CarbonylContact O-C 3.59Å; I47-Y114 HydrophobicContact CB-CD2 4.05Å; I47-Y114 HydrophobicContact CB-CG 4.18Å; I47-Y114 HydrophobicContact CD1-CD2 3.33Å; I47-Y114 HydrophobicContact CD1-CE2 3.42Å; I47-Y114 VanDerWaalsContact CD1-CE2 3.42Å; I47-Y114 HydrophobicContact CD1-CG 3.99Å; I47-Y114 HydrophobicContact CG1-CD1 4.41Å; I47-Y114 HydrophobicContact CG1-CD2 3.69Å; I47-Y114 HydrophobicContact CG1-CE2 4.2Å; I47-Y114 HydrophobicContact CG1-CG 3.84Å; I86-Y114 HydrophobicContact CG2-CD1 3.64Å; I86-Y114 HydrophobicContact CG2-CG 4.12Å; F87-Y114 WeakPolarHBondContact O-CA 3.38Å; E88-Y114 HydrophobicContact CB-CD1 3.8Å; E88-Y114 HydrophobicContact CB-CE1 3.54Å; E88-Y114 HydrophobicContact CG-CD1 3.85Å; E88-Y114 HydrophobicContact CG-CE1 3.39Å; F96-Y114 HydrophobicContact CE2-CE1 4.11Å; H111-Y114 HydrophobicContact CB-CD2 4.21Å; H111-Y114 AromaticContact CG-CD2 3.91Å; H111-Y114 AromaticContact ND1-CD2 3.34Å; H111-Y114 VanDerWaalsContact ND1-CD2 3.34Å; H111-Y114 WeakPolarHBondContact ND1-CD2 3.47Å; H111-Y114 AromaticContact ND1-CE2 3.81Å; H111-Y114 PolarHBondContact O-N 3.13Å; Y114-D459 PolarHBondContact OH-OD1 3.18Å; Y114-D459 VanDerWaalsContact OH-OD1 3.08Å; Y114-D459 PolarHBondContact OH-OD2 3.34Å
115	D	92.3	Very high	80.6	Confident	25 Å²	25	56.1 Å²	56.1	13%	0.134	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.5	179.8	-64.1	-62.5	0	0	0	109.6	F42 P44 N45 F69 F87 S89	F42-D115 HydrophobicContact CE2-CB 4.05Å; P44-D115 WeakPolarHBondContact CA-OD1 3.07Å; N45-D115 PolarHBondContact N-OD1 3.14Å; F69-D115 HydrophobicContact CD2-CB 4.33Å; F69-D115 HydrophobicContact CE2-CB 4.34Å; F87-D115 PolarHBondContact N-O 2.81Å; F87-D115 PolarHBondContact O-N 3.38Å; S89-D115 WeakPolarHBondContact CB-OD2 3Å; S89-D115 PolarHBondContact OG-OD2 3.09Å
116	T	93.4	Very high	78.7	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.8	-171.2	-65.2	0	0	0	0	111.5	K43 R46 Y108 V118	K43-T116 HydrophobicContact CB-CG2 4.49Å; K43-T116 PolarHBondContact N-O 3.02Å; K43-T116 PolarHBondContact O-N 3.08Å; R46-T116 PolarHBondContact O-OG1 3.45Å; Y108-T116 HydrophobicContact CD1-CG2 4.04Å; Y108-T116 HydrophobicContact CE1-CG2 3.6Å; T116-V118 HydrophobicContact CG2-CG2 3.99Å
117	I	92.6	Very high	76.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.3	166.3	-62.8	146.1	0	0	0	107.1	F69 C72 Y73 T84 A85 L119	F69-I117 HydrophobicContact CD2-CD1 4.28Å; F69-I117 HydrophobicContact CD2-CG1 4.44Å; F69-I117 HydrophobicContact CE1-CG1 4.32Å; F69-I117 HydrophobicContact CE2-CD1 3.72Å; F69-I117 HydrophobicContact CE2-CG1 3.43Å; F69-I117 VanDerWaalsContact CE2-CG1 3.43Å; F69-I117 HydrophobicContact CZ-CD1 3.89Å; F69-I117 HydrophobicContact CZ-CG1 3.35Å; C72-I117 HydrophobicContact CB-CD1 4.13Å; Y73-I117 HydrophobicContact CD2-CG2 4.03Å; T84-I117 CarbonylContact C-O 3.54Å; T84-I117 WeakPolarHBondContact CA-O 3.44Å; T84-I117 WeakPolarHBondContact CB-O 3.49Å; T84-I117 PolarHBondContact OG1-O 2.75Å; A85-I117 HydrophobicContact CB-CD1 4.32Å; A85-I117 PolarHBondContact N-O 3.03Å; A85-I117 WeakPolarHBondContact O-CB 3.42Å; A85-I117 PolarHBondContact O-N 2.92Å; I117-L119 HydrophobicContact CG2-CD2 3.99Å; I117-L119 HydrophobicContact CG2-CG 4.47Å
118	V	92.6	Very high	74.4	Confident	26 Å²	26	62.5 Å²	62.5	16%	0.158	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.1	164.1	-175.7	0	0	0	0	107.4	F40 Q41 K43 T116	F40-V118 CarbonylContact C-O 3.57Å; F40-V118 VanDerWaalsContact CA-O 3.24Å; F40-V118 WeakPolarHBondContact CA-O 2.98Å; Q41-V118 HydrophobicContact CB-CB 4.43Å; Q41-V118 PolarHBondContact N-O 2.91Å; Q41-V118 PolarHBondContact O-N 2.93Å; K43-V118 HydrophobicContact CD-CG2 4.16Å; T116-V118 HydrophobicContact CG2-CG2 3.99Å
119	L	88.9	Confident	72.9	Confident	9 Å²	9	64 Å²	64	5%	0.047	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	122.4	169.8	-61.8	-174.8	0	0	0	108	K38 F40 Y73 C76 S83 I117	K38-L119 HydrophobicContact CD-CD1 3.95Å; F40-L119 HydrophobicContact CB-CD2 3.86Å; Y73-L119 HydrophobicContact CD2-CD2 4.12Å; Y73-L119 HydrophobicContact CE2-CD2 3.77Å; C76-L119 HydrophobicContact CB-CD1 4.32Å; C76-L119 VanDerWaalsContact SG-CD1 3.54Å; S83-L119 PolarHBondContact O-N 3.14Å; I117-L119 HydrophobicContact CG2-CD2 3.99Å; I117-L119 HydrophobicContact CG2-CG 4.47Å
120	E	79.5	Confident	72.1	Confident	75 Å²	75	66.7 Å²	66.7	35%	0.35	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.1	162.2	-72	177.8	172.3	0	0	106.3	N39 Q41 S122	N39-E120 HydrophobicContact CB-CB 3.74Å; N39-E120 WeakPolarHBondContact CB-OE2 3.31Å; N39-E120 PolarHBondContact N-O 3.07Å; N39-E120 PolarHBondContact ND2-OE2 2.74Å; N39-E120 PolarHBondContact O-N 2.99Å; N39-E120 VanDerWaalsContact O-O 3.1Å; Q41-E120 HydrophobicContact CG-CG 4.4Å; Q41-E120 WeakPolarHBondContact CG-OE1 3.19Å; Q41-E120 PolarHBondContact NE2-OE1 3.07Å; E120-S122 PolarHBondContact O-N 2.7Å
121	E	64.3	Low	71.7	Confident	92 Å²	92	67.6 Å²	67.6	43%	0.43	37%	0.372	S	S	.	.			trans	-64.9	96.3	164.6	-71	-174.9	154.8	0	0	107.3	R101 N123	R101-E121 VanDerWaalsContact CD-OE1 3.3Å; R101-E121 WeakPolarHBondContact CD-OE1 3.33Å; R101-E121 WeakPolarHBondContact CD-OE2 3.48Å; R101-E121 IonicContact CZ-OE1 2.66Å; R101-E121 IonicContact NE-OE1 2.67Å; R101-E121 IonicContact NH1-OE1 3.7Å; R101-E121 PolarHBondContact NH1-OE1 3.08Å; E121-N123 PolarHBondContact O-N 3.02Å
122	S	54.3	Low	71.6	Confident	54 Å²	54	65.4 Å²	65.4	38%	0.378	36%	0.363	S	S	.	.			trans	-50.8	109.6	163.9	53.8	0	0	0	0	106.2	G37 K38 E120 G124	G37-S122 PolarHBondContact O-OG 2.8Å; K38-S122 WeakPolarHBondContact CA-OG 3.34Å; E120-S122 PolarHBondContact O-N 2.7Å; S122-G124 PolarHBondContact O-N 3.36Å
123	N	47	Very low	71.4	Confident	102 Å²	102	63.2 Å²	63.2	55%	0.545	35%	0.352	S	S	.	.			trans	-69	79.3	-179.1	-82.8	-49.5	0	0	0	109	E121 N125 Q126	E121-N123 PolarHBondContact O-N 3.02Å; N123-N125 PolarHBondContact O-N 2.82Å; N123-N125 VanDerWaalsContact O-N 3.13Å; N123-Q126 HydrophobicContact CB-CB 3.78Å; N123-Q126 HydrophobicContact CB-CG 3.55Å; N123-Q126 WeakPolarHBondContact O-CB 3.2Å; N123-Q126 PolarHBondContact O-N 2.03Å
124	G	42.8	Very low	71.2	Confident	70 Å²	70	61.7 Å²	61.7	72%	0.722	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-10	172.6	0	0	0	0	0	112.7	S122	S122-G124 PolarHBondContact O-N 3.36Å
125	N	40.9	Very low	70.8	Confident	160 Å²	160	67.1 Å²	67.1	86%	0.856	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	37	162.5	-78	-47.6	0	0	0	112.4	N123 S127	N123-N125 PolarHBondContact O-N 2.82Å; N123-N125 VanDerWaalsContact O-N 3.13Å; N125-S127 PolarHBondContact O-N 2.93Å
126	Q	48.1	Very low	70.6	Confident	114 Å²	114	70.7 Å²	70.7	53%	0.533	39%	0.388	S	S	.	.			trans	-64	85	133.2	-96	170	2.4	0	0	105	N123 L128	N123-Q126 HydrophobicContact CB-CB 3.78Å; N123-Q126 HydrophobicContact CB-CG 3.55Å; N123-Q126 WeakPolarHBondContact O-CB 3.2Å; N123-Q126 PolarHBondContact O-N 2.03Å; Q126-L128 PolarHBondContact O-N 2.61Å
127	S	46.1	Very low	70.4	Confident	68 Å²	68	76.4 Å²	76.4	48%	0.476	42%	0.415	S	S	.	.			trans	-39.8	130.5	149.1	174.9	0	0	0	0	106.3	N125 K129	N125-S127 PolarHBondContact O-N 2.93Å; S127-K129 WeakPolarHBondContact O-CA 3.27Å; S127-K129 VanDerWaalsContact O-CB 3.31Å; S127-K129 WeakPolarHBondContact O-CB 3.4Å; S127-K129 VanDerWaalsContact O-CG 3.24Å; S127-K129 WeakPolarHBondContact O-CG 3.18Å; S127-K129 PolarHBondContact O-N 2.76Å
128	L	50.1	Low	70.4	Confident	148 Å²	148	76.6 Å²	76.6	78%	0.775	42%	0.416	S	S	*	.			trans	-61	75.8	-159.6	-167.6	76.3	0	0	0	111.9	Q126 N130	Q126-L128 PolarHBondContact O-N 2.61Å; L128-N130 PolarHBondContact O-N 2.83Å; L128-N130 VanDerWaalsContact O-N 3.14Å
129	K	61.3	Low	70.1	Confident	91 Å²	91	79.6 Å²	79.6	40%	0.396	43%	0.431	S	S	.	.			trans	-85.7	93.9	-168.2	-90.5	160.6	176.4	-75.1	0	106.3	S127 K131 S140 N141 V143	S127-K129 WeakPolarHBondContact O-CA 3.27Å; S127-K129 VanDerWaalsContact O-CB 3.31Å; S127-K129 WeakPolarHBondContact O-CB 3.4Å; S127-K129 VanDerWaalsContact O-CG 3.24Å; S127-K129 WeakPolarHBondContact O-CG 3.18Å; S127-K129 PolarHBondContact O-N 2.76Å; K129-K131 PolarHBondContact O-N 3.32Å; K129-K131 VanDerWaalsContact O-N 3.08Å; K129-S140 WeakPolarHBondContact CE-O 3.48Å; K129-S140 PolarHBondContact NZ-O 2.91Å; K129-N141 CarbonylContact C-O 3.46Å; K129-N141 VanDerWaalsContact CA-O 3.25Å; K129-N141 WeakPolarHBondContact CA-O 3.31Å; K129-V143 HydrophobicContact CB-CG2 3.87Å; K129-V143 HydrophobicContact CD-CG2 3.95Å; K129-V143 HydrophobicContact CG-CG2 3.89Å
130	N	73.9	Confident	69.8	Low	84 Å²	84	83 Å²	83	45%	0.449	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	119.7	-174.8	-55.8	-59.2	0	0	0	108.1	L128 V132 N141 N142 V143	L128-N130 PolarHBondContact O-N 2.83Å; L128-N130 VanDerWaalsContact O-N 3.14Å; N130-V132 PolarHBondContact O-N 2.83Å; N130-N141 PolarHBondContact N-O 2.97Å; N130-N142 PolarHBondContact ND2-OD1 2.91Å; N130-N142 VanDerWaalsContact ND2-OD1 3.14Å; N130-N142 CarbonylContact O-C 3.56Å; N130-N142 WeakPolarHBondContact O-CA 3.4Å; N130-V143 PolarHBondContact O-N 2.03Å
131	K	81.9	Confident	69.9	Low	115 Å²	115	83.7 Å²	83.7	50%	0.5	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	105.5	173.3	-81.7	-167.5	160.1	-150.7	0	108.2	K129 V143 D145 E146	K129-K131 PolarHBondContact O-N 3.32Å; K129-K131 VanDerWaalsContact O-N 3.08Å; K131-V143 WeakPolarHBondContact CA-O 3.31Å; K131-D145 IonicContact NZ-OD1 2.62Å; K131-D145 PolarHBondContact NZ-OD1 3.28Å; K131-E146 WeakPolarHBondContact CE-OE2 3.32Å; K131-E146 IonicContact NZ-OE2 2.71Å; K131-E146 PolarHBondContact NZ-OE2 3.04Å
132	V	84.9	Confident	70.9	Confident	12 Å²	12	81.1 Å²	81.1	7%	0.073	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	139	-177.2	-75.6	0	0	0	0	110.3	N130 Q136 C138 N142 V143 C144 D145 C156	N130-V132 PolarHBondContact O-N 2.83Å; V132-Q136 HydrophobicContact CB-CB 3.91Å; V132-Q136 HydrophobicContact CG1-CB 4.47Å; V132-C138 HydrophobicContact CG2-CB 4.32Å; V132-N142 HydrophobicContact CG1-CB 3.9Å; V132-N142 HydrophobicContact CG2-CB 3.92Å; V132-V143 WeakPolarHBondContact CG2-O 3.35Å; V132-V143 PolarHBondContact N-O 2.64Å; V132-C144 WeakPolarHBondContact O-CA 3.46Å; V132-D145 PolarHBondContact O-N 2.8Å; V132-C156 VanDerWaalsContact CG2-SG 3.56Å
133	G	83.6	Confident	72.4	Confident	25 Å²	25	80.7 Å²	80.7	26%	0.258	45%	0.446	S	S	.	.			trans	-75.2	176.6	-176.9	0	0	0	0	0	113.5	Q136 C156	G133-Q136 VanDerWaalsContact N-CD 3.29Å; G133-Q136 VanDerWaalsContact O-CB 3.3Å; G133-Q136 WeakPolarHBondContact O-CB 2.97Å; G133-Q136 PolarHBondContact O-N 2.96Å; G133-Q136 VanDerWaalsContact O-N 3.15Å; G133-C156 WeakPolarHBondContact O-CB 3.3Å
134	L	84.2	Confident	74.3	Confident	21 Å²	21	76.3 Å²	76.3	11%	0.11	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	139.9	174.5	-167.2	62.7	0	0	0	110.9	Q136 T149 C156 A164 G167	L134-Q136 PolarHBondContact O-N 3.48Å; L134-T149 HydrophobicContact CD1-CG2 4.35Å; L134-C156 WeakPolarHBondContact CD1-O 3.5Å; L134-A164 HydrophobicContact CD2-CB 3.61Å; L134-A164 HydrophobicContact CG-CB 4.49Å; L134-G167 WeakPolarHBondContact CB-O 3.45Å
135	N	84.7	Confident	76.3	Confident	118 Å²	118	76.3 Å²	76.3	63%	0.631	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	15.1	-173.7	-51.7	-25.7	0	0	0	115.7	C156	N135-C156 WeakPolarHBondContact CA-O 3.5Å; N135-C156 PolarHBondContact N-O 3.24Å
136	Q	87.6	Confident	77.6	Confident	100 Å²	100	74.5 Å²	74.5	47%	0.467	39%	0.393	S	S	.	.	S	Bend	trans	-97	162.6	173.1	-62.2	-176.7	-0.2	0	0	112.3	V132 G133 L134 I155 C156	V132-Q136 HydrophobicContact CB-CB 3.91Å; V132-Q136 HydrophobicContact CG1-CB 4.47Å; G133-Q136 VanDerWaalsContact N-CD 3.29Å; G133-Q136 VanDerWaalsContact O-CB 3.3Å; G133-Q136 WeakPolarHBondContact O-CB 2.97Å; G133-Q136 PolarHBondContact O-N 2.96Å; G133-Q136 VanDerWaalsContact O-N 3.15Å; L134-Q136 PolarHBondContact O-N 3.48Å; Q136-I155 WeakPolarHBondContact O-CA 3.37Å; Q136-C156 PolarHBondContact O-N 3.16Å
137	H	90.1	Very high	78.9	Confident	121 Å²	121	73.8 Å²	73.8	56%	0.56	40%	0.397	S	S	*	.	B	Isolated β-bridge	trans	-76.4	125.6	-177.7	178.7	48.6	0	0	0	112.4	N142 G154	H137-N142 WeakPolarHBondContact O-CB 3.2Å; H137-N142 PolarHBondContact O-ND2 2.82Å; H137-N142 VanDerWaalsContact O-ND2 3.09Å; H137-G154 CarbonylContact C-O 3.18Å; H137-G154 WeakPolarHBondContact CA-O 3.01Å; H137-G154 PolarHBondContact ND1-O 2.81Å
138	C	90.7	Very high	80.7	Confident	4 Å²	4	74.1 Å²	74.1	3%	0.027	39%	0.389	C	S	.	.			trans	-114.7	147.1	178.9	53.2	0	0	0	0	113.1	V132 N142 C144 C151 G154 I155 C156	V132-C138 HydrophobicContact CG2-CB 4.32Å; C138-N142 VanDerWaalsContact CA-O 3.22Å; C138-N142 WeakPolarHBondContact CA-O 3.21Å; C138-N142 VanDerWaalsContact CB-O 3.25Å; C138-N142 WeakPolarHBondContact CB-O 3.34Å; C138-C144 WeakPolarHBondContact CB-SG 3.34Å; C138-C151 HydrophobicContact CB-CB 3.88Å; C138-C151 WeakPolarHBondContact CB-SG 3.35Å; C138-C151 WeakPolarHBondContact SG-CA 3.05Å; C138-C151 WeakPolarHBondContact SG-CB 3.29Å; C138-C151 CovalentContact SG-SG 2.03Å; C138-C151 PolarHBondContact SG-SG 3.33Å; C138-G154 PolarHBondContact N-O 2.9Å; C138-I155 PolarHBondContact SG-N 3.06Å; C138-I155 VanDerWaalsContact SG-N 3.36Å; C138-C156 VanDerWaalsContact CB-SG 3.6Å
139	D	86.9	Confident	82.5	Confident	89 Å²	89	68 Å²	68	48%	0.476	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-163.4	178.4	-177.8	174	39.9	0	0	0	108.3	N141 N142	D139-N141 PolarHBondContact O-N 2.68Å; D139-N142 PolarHBondContact N-O 3.23Å; D139-N142 CarbonylContact O-C 3.53Å; D139-N142 PolarHBondContact O-N 2.95Å
140	S	83	Confident	83.8	Confident	81 Å²	81	67.9 Å²	67.9	57%	0.566	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-36.1	-36.8	165.9	-52.3	0	0	0	0	114.6	K129	K129-S140 WeakPolarHBondContact CE-O 3.48Å; K129-S140 PolarHBondContact NZ-O 2.91Å
141	N	81.4	Confident	84.7	Confident	88 Å²	88	67 Å²	67	47%	0.471	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-9.1	178.7	-66.8	-26.6	0	0	0	115.3	K129 N130 D139	K129-N141 CarbonylContact C-O 3.46Å; K129-N141 VanDerWaalsContact CA-O 3.25Å; K129-N141 WeakPolarHBondContact CA-O 3.31Å; N130-N141 PolarHBondContact N-O 2.97Å; D139-N141 PolarHBondContact O-N 2.68Å
142	N	84.8	Confident	85.1	Confident	39 Å²	39	63.6 Å²	63.6	21%	0.209	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	101.9	-177.8	-79	4.5	0	0	0	108.9	N130 V132 H137 C138 D139	N130-N142 PolarHBondContact ND2-OD1 2.91Å; N130-N142 VanDerWaalsContact ND2-OD1 3.14Å; N130-N142 CarbonylContact O-C 3.56Å; N130-N142 WeakPolarHBondContact O-CA 3.4Å; V132-N142 HydrophobicContact CG1-CB 3.9Å; V132-N142 HydrophobicContact CG2-CB 3.92Å; H137-N142 WeakPolarHBondContact O-CB 3.2Å; H137-N142 PolarHBondContact O-ND2 2.82Å; H137-N142 VanDerWaalsContact O-ND2 3.09Å; C138-N142 VanDerWaalsContact CA-O 3.22Å; C138-N142 WeakPolarHBondContact CA-O 3.21Å; C138-N142 VanDerWaalsContact CB-O 3.25Å; C138-N142 WeakPolarHBondContact CB-O 3.34Å; D139-N142 PolarHBondContact N-O 3.23Å; D139-N142 CarbonylContact O-C 3.53Å; D139-N142 PolarHBondContact O-N 2.95Å
143	V	85.5	Confident	85.3	Confident	44 Å²	44	70.6 Å²	70.6	27%	0.267	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.8	-175.7	175.4	0	0	0	0	109.3	K129 N130 K131 V132	K129-V143 HydrophobicContact CB-CG2 3.87Å; K129-V143 HydrophobicContact CD-CG2 3.95Å; K129-V143 HydrophobicContact CG-CG2 3.89Å; N130-V143 PolarHBondContact O-N 2.03Å; K131-V143 WeakPolarHBondContact CA-O 3.31Å; V132-V143 WeakPolarHBondContact CG2-O 3.35Å; V132-V143 PolarHBondContact N-O 2.64Å
144	C	88.5	Confident	85.5	Confident	10 Å²	10	70.5 Å²	70.5	7%	0.068	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	137.3	174.4	-54.5	0	0	0	0	110.8	V132 C138 E146 T149 C156	V132-C144 WeakPolarHBondContact O-CA 3.46Å; C138-C144 WeakPolarHBondContact CB-SG 3.34Å; C144-E146 PolarHBondContact O-N 2.83Å; C144-E146 VanDerWaalsContact O-N 3.15Å; C144-T149 WeakPolarHBondContact CB-OG1 3.48Å; C144-C156 WeakPolarHBondContact CA-SG 3.49Å; C144-C156 HydrophobicContact CB-CB 3.7Å; C144-C156 WeakPolarHBondContact CB-SG 3.47Å; C144-C156 WeakPolarHBondContact SG-CA 3.46Å; C144-C156 WeakPolarHBondContact SG-CB 3.37Å; C144-C156 CovalentContact SG-SG 2.03Å; C144-C156 PolarHBondContact SG-SG 3.28Å
145	D	83.1	Confident	85.8	Confident	70 Å²	70	73.4 Å²	73.4	37%	0.374	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-57.3	124.5	-175.4	-172.6	33.7	0	0	0	111.6	K131 V132 V147 T149	K131-D145 IonicContact NZ-OD1 2.62Å; K131-D145 PolarHBondContact NZ-OD1 3.28Å; V132-D145 PolarHBondContact O-N 2.8Å; D145-V147 PolarHBondContact O-N 3.15Å; D145-T149 WeakPolarHBondContact O-CG2 3.38Å; D145-T149 PolarHBondContact O-OG1 2.82Å
146	E	69.2	Low	86.1	Confident	122 Å²	122	67.8 Å²	67.8	57%	0.57	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-7.3	-150.7	-63.7	160.2	138.3	0	0	114	K131 C144 K148	K131-E146 WeakPolarHBondContact CE-OE2 3.32Å; K131-E146 IonicContact NZ-OE2 2.71Å; K131-E146 PolarHBondContact NZ-OE2 3.04Å; C144-E146 PolarHBondContact O-N 2.83Å; C144-E146 VanDerWaalsContact O-N 3.15Å; E146-K148 PolarHBondContact O-N 3.32Å
147	V	74.8	Confident	86.3	Confident	100 Å²	100	66.3 Å²	66.3	61%	0.606	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	94.6	177.4	-173.5	0	0	0	0	110.4	D145 T149	D145-V147 PolarHBondContact O-N 3.15Å; V147-T149 PolarHBondContact O-N 3.44Å
148	K	83.6	Confident	86.3	Confident	75 Å²	75	61.5 Å²	61.5	33%	0.326	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	9	167.3	-49.8	159.4	179.9	179.5	0	116.3	E146 Q159 W162 C169	E146-K148 PolarHBondContact O-N 3.32Å; K148-Q159 WeakPolarHBondContact O-CB 3.43Å; K148-Q159 WeakPolarHBondContact O-CG 3.35Å; K148-Q159 PolarHBondContact O-N 3.49Å; K148-W162 HydrophobicContact CB-CD2 4.4Å; K148-W162 HydrophobicContact CB-CG 4.41Å; K148-W162 HydrophobicContact CD-CD2 3.78Å; K148-W162 HydrophobicContact CD-CE3 3.67Å; K148-W162 HydrophobicContact CD-CH2 3.94Å; K148-W162 HydrophobicContact CD-CZ2 3.94Å; K148-W162 HydrophobicContact CD-CZ3 3.78Å; K148-W162 HydrophobicContact CG-CD2 4.36Å; K148-C169 HydrophobicContact CB-CB 4.16Å
149	T	88.9	Confident	86.2	Confident	18 Å²	18	65 Å²	65	11%	0.11	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	162.8	166.4	69	0	0	0	0	110.9	L134 C144 D145 V147 I157 Q159	L134-T149 HydrophobicContact CD1-CG2 4.35Å; C144-T149 WeakPolarHBondContact CB-OG1 3.48Å; D145-T149 WeakPolarHBondContact O-CG2 3.38Å; D145-T149 PolarHBondContact O-OG1 2.82Å; V147-T149 PolarHBondContact O-N 3.44Å; T149-I157 CarbonylContact C-O 3.4Å; T149-I157 WeakPolarHBondContact CA-O 3.35Å; T149-Q159 PolarHBondContact O-NE2 3.16Å
150	I	89.5	Confident	86.1	Confident	89 Å²	89	66.8 Å²	66.8	46%	0.456	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	145.3	170.1	-172.7	168	0	0	0	108.9	S152 I157 Q159	I150-S152 PolarHBondContact O-N 2.89Å; I150-I157 HydrophobicContact CG2-CD1 4.31Å; I150-I157 HydrophobicContact CG2-CG1 3.74Å; I150-I157 PolarHBondContact N-O 2.84Å; I150-I157 PolarHBondContact O-N 3.1Å; I150-Q159 HydrophobicContact CB-CG 3.99Å; I150-Q159 HydrophobicContact CG2-CG 4.13Å
151	C	91.1	Very high	86	Confident	66 Å²	66	65.4 Å²	65.4	45%	0.446	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	112.1	172.5	-169.3	0	0	0	0	109.2	C138	C138-C151 HydrophobicContact CB-CB 3.88Å; C138-C151 WeakPolarHBondContact CB-SG 3.35Å; C138-C151 WeakPolarHBondContact SG-CA 3.05Å; C138-C151 WeakPolarHBondContact SG-CB 3.29Å; C138-C151 CovalentContact SG-SG 2.03Å; C138-C151 PolarHBondContact SG-SG 3.33Å
152	S	90.9	Very high	86.3	Confident	44 Å²	44	64.8 Å²	64.8	31%	0.308	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.6	170.7	-164.9	0	0	0	0	108.5	I150 G154 I155 I157	I150-S152 PolarHBondContact O-N 2.89Å; S152-G154 PolarHBondContact O-N 2.82Å; S152-I155 PolarHBondContact N-O 3.34Å; S152-I155 PolarHBondContact O-N 2.68Å; S152-I157 VanDerWaalsContact CB-CD1 3.46Å
153	D	89	Confident	86.4	Confident	159 Å²	159	64.6 Å²	64.6	85%	0.85	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	27.4	174.9	-47.6	-73.4	0	0	0	113.8	I155	D153-I155 VanDerWaalsContact C-N 3.34Å
154	G	88.7	Confident	86.5	Confident	22 Å²	22	65.1 Å²	65.1	23%	0.227	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	13.2	-175.2	0	0	0	0	0	114.7	H137 C138 S152	H137-G154 CarbonylContact C-O 3.18Å; H137-G154 WeakPolarHBondContact CA-O 3.01Å; H137-G154 PolarHBondContact ND1-O 2.81Å; C138-G154 PolarHBondContact N-O 2.9Å; S152-G154 PolarHBondContact O-N 2.82Å
155	I	90.4	Very high	86.3	Confident	83 Å²	83	65.8 Å²	65.8	43%	0.426	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.6	177.8	-57.3	179.5	0	0	0	110.4	Q136 C138 S152 D153 I157	Q136-I155 WeakPolarHBondContact O-CA 3.37Å; C138-I155 PolarHBondContact SG-N 3.06Å; C138-I155 VanDerWaalsContact SG-N 3.36Å; S152-I155 PolarHBondContact N-O 3.34Å; S152-I155 PolarHBondContact O-N 2.68Å; D153-I155 VanDerWaalsContact C-N 3.34Å; I155-I157 HydrophobicContact CG2-CG2 4.45Å; I155-I157 PolarHBondContact O-N 3.26Å
156	C	91.6	Very high	86.1	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	109.5	172.4	-61.8	0	0	0	0	110.9	V132 G133 L134 N135 Q136 C138 C144	V132-C156 VanDerWaalsContact CG2-SG 3.56Å; G133-C156 WeakPolarHBondContact O-CB 3.3Å; L134-C156 WeakPolarHBondContact CD1-O 3.5Å; N135-C156 WeakPolarHBondContact CA-O 3.5Å; N135-C156 PolarHBondContact N-O 3.24Å; Q136-C156 PolarHBondContact O-N 3.16Å; C138-C156 VanDerWaalsContact CB-SG 3.6Å; C144-C156 WeakPolarHBondContact CA-SG 3.49Å; C144-C156 HydrophobicContact CB-CB 3.7Å; C144-C156 WeakPolarHBondContact CB-SG 3.47Å; C144-C156 WeakPolarHBondContact SG-CA 3.46Å; C144-C156 WeakPolarHBondContact SG-CB 3.37Å; C144-C156 CovalentContact SG-SG 2.03Å; C144-C156 PolarHBondContact SG-SG 3.28Å
157	I	91.3	Very high	86.5	Confident	69 Å²	69	67.2 Å²	67.2	35%	0.354	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	172.8	174	66	165.1	0	0	0	110.4	T149 I150 S152 I155	T149-I157 CarbonylContact C-O 3.4Å; T149-I157 WeakPolarHBondContact CA-O 3.35Å; I150-I157 HydrophobicContact CG2-CD1 4.31Å; I150-I157 HydrophobicContact CG2-CG1 3.74Å; I150-I157 PolarHBondContact N-O 2.84Å; I150-I157 PolarHBondContact O-N 3.1Å; S152-I157 VanDerWaalsContact CB-CD1 3.46Å; I155-I157 HydrophobicContact CG2-CG2 4.45Å; I155-I157 PolarHBondContact O-N 3.26Å
158	C	90.4	Very high	87	Confident	20 Å²	20	65.9 Å²	65.9	14%	0.135	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	146.7	172.9	-64.8	0	0	0	0	111.8	W162 C169	C158-W162 HydrophobicContact CB-CB 3.95Å; C158-W162 VanDerWaalsContact CB-O 3.26Å; C158-W162 WeakPolarHBondContact CB-O 3.26Å; C158-C169 WeakPolarHBondContact CA-SG 3.05Å; C158-C169 HydrophobicContact CB-CB 3.88Å; C158-C169 WeakPolarHBondContact CB-SG 3.04Å; C158-C169 WeakPolarHBondContact SG-CA 3.37Å; C158-C169 WeakPolarHBondContact SG-CB 3.48Å; C158-C169 CovalentContact SG-SG 2.04Å; C158-C169 PolarHBondContact SG-SG 3.4Å
159	Q	88.4	Confident	87.2	Confident	78 Å²	78	62.7 Å²	62.7	36%	0.364	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-65.7	155.1	172.3	-70.1	170.6	11.7	0	0	111.6	K148 T149 I150 G161 W162	K148-Q159 WeakPolarHBondContact O-CB 3.43Å; K148-Q159 WeakPolarHBondContact O-CG 3.35Å; K148-Q159 PolarHBondContact O-N 3.49Å; T149-Q159 PolarHBondContact O-NE2 3.16Å; I150-Q159 HydrophobicContact CB-CG 3.99Å; I150-Q159 HydrophobicContact CG2-CG 4.13Å; Q159-G161 PolarHBondContact O-N 3.06Å; Q159-W162 WeakPolarHBondContact O-CB 3.34Å; Q159-W162 PolarHBondContact O-N 3.11Å
160	S	83.8	Confident	87.1	Confident	126 Å²	126	64.2 Å²	64.2	88%	0.881	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	127.3	-179.1	-49.7	0	0	0	0	112.9
161	G	81.6	Confident	87	Confident	52 Å²	52	66.6 Å²	66.6	54%	0.536	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-0.6	-175.4	0	0	0	0	0	115.4	Q159	Q159-G161 PolarHBondContact O-N 3.06Å
162	W	87	Confident	86.7	Confident	75 Å²	75	64.8 Å²	64.8	28%	0.284	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139.6	173.1	-58.4	84.8	0	0	0	110.6	K148 C158 Q159 C169 V170 Q171	K148-W162 HydrophobicContact CB-CD2 4.4Å; K148-W162 HydrophobicContact CB-CG 4.41Å; K148-W162 HydrophobicContact CD-CD2 3.78Å; K148-W162 HydrophobicContact CD-CE3 3.67Å; K148-W162 HydrophobicContact CD-CH2 3.94Å; K148-W162 HydrophobicContact CD-CZ2 3.94Å; K148-W162 HydrophobicContact CD-CZ3 3.78Å; K148-W162 HydrophobicContact CG-CD2 4.36Å; C158-W162 HydrophobicContact CB-CB 3.95Å; C158-W162 VanDerWaalsContact CB-O 3.26Å; C158-W162 WeakPolarHBondContact CB-O 3.26Å; Q159-W162 WeakPolarHBondContact O-CB 3.34Å; Q159-W162 PolarHBondContact O-N 3.11Å; W162-C169 HydrophobicContact CB-CB 4.1Å; W162-V170 CarbonylContact C-O 3.54Å; W162-V170 WeakPolarHBondContact CA-O 3.41Å; W162-Q171 HydrophobicContact CE3-CB 4.1Å; W162-Q171 VanDerWaalsContact CE3-N 3.3Å; W162-Q171 HydrophobicContact CH2-CB 4.05Å; W162-Q171 HydrophobicContact CZ3-CB 3.68Å
163	I	86.8	Confident	86.6	Confident	34 Å²	34	67.6 Å²	67.6	17%	0.174	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	149	179.4	58.7	167.4	0	0	0	111.4	K165 C169 V170 P177 Q182	I163-K165 HydrophobicContact CD1-CG 4.37Å; I163-K165 PolarHBondContact O-N 3.24Å; I163-C169 WeakPolarHBondContact O-CA 3.26Å; I163-V170 HydrophobicContact CD1-CG2 4.29Å; I163-V170 HydrophobicContact CG1-CG2 3.78Å; I163-V170 WeakPolarHBondContact CG1-O 3.37Å; I163-V170 PolarHBondContact N-O 3.1Å; I163-V170 PolarHBondContact O-N 3.42Å; I163-P177 HydrophobicContact CG2-CB 3.72Å; I163-Q182 HydrophobicContact CD1-CB 3.93Å
164	A	87.4	Confident	86.7	Confident	56 Å²	56	60.5 Å²	60.5	46%	0.463	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	116.6	177.7	0	0	0	0	0	111.3	L134	L134-A164 HydrophobicContact CD2-CB 3.61Å; L134-A164 HydrophobicContact CG-CB 4.49Å
165	K	84.7	Confident	86.7	Confident	23 Å²	23	68.6 Å²	68.6	10%	0.1	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128.6	173.1	-78.7	-58.4	-161.5	178.2	0	111.7	I163 G167 S168 V170 Q182 D184	I163-K165 HydrophobicContact CD1-CG 4.37Å; I163-K165 PolarHBondContact O-N 3.24Å; K165-G167 PolarHBondContact O-N 3.27Å; K165-G167 VanDerWaalsContact O-N 3.09Å; K165-S168 PolarHBondContact N-O 3.14Å; K165-S168 PolarHBondContact O-N 2.99Å; K165-V170 HydrophobicContact CB-CG1 4.29Å; K165-V170 HydrophobicContact CB-CG2 3.71Å; K165-V170 HydrophobicContact CG-CG2 3.73Å; K165-Q182 WeakPolarHBondContact CE-O 3.46Å; K165-Q182 PolarHBondContact NZ-O 2.86Å; K165-D184 VanDerWaalsContact CD-OD1 3.27Å; K165-D184 WeakPolarHBondContact CD-OD1 3.36Å; K165-D184 WeakPolarHBondContact CE-OD1 3.37Å; K165-D184 IonicContact NZ-OD1 2.6Å; K165-D184 PolarHBondContact NZ-OD1 3.26Å
166	K	78.8	Confident	86.5	Confident	161 Å²	161	66.7 Å²	66.7	70%	0.7	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	38.9	176.7	-62.2	173.4	-178.4	165.9	0	113.5	D184	K166-D184 WeakPolarHBondContact CE-OD2 3.41Å; K166-D184 PolarHBondContact NZ-O 3.18Å; K166-D184 IonicContact NZ-OD2 2.9Å
167	G	78.5	Confident	86.2	Confident	61 Å²	61	68.5 Å²	68.5	63%	0.629	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	4.7	-179.5	0	0	0	0	0	116.1	L134 K165	L134-G167 WeakPolarHBondContact CB-O 3.45Å; K165-G167 PolarHBondContact O-N 3.27Å; K165-G167 VanDerWaalsContact O-N 3.09Å
168	S	84.1	Confident	85.9	Confident	72 Å²	72	71.6 Å²	71.6	50%	0.503	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	161.8	-179.3	-163.7	0	0	0	0	112.4	K165	K165-S168 PolarHBondContact N-O 3.14Å; K165-S168 PolarHBondContact O-N 2.99Å
169	C	88.4	Confident	85.9	Confident	8 Å²	8	76.2 Å²	76.2	5%	0.054	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	108.4	179.2	-66.3	0	0	0	0	110.9	K148 C158 W162 I163	K148-C169 HydrophobicContact CB-CB 4.16Å; C158-C169 WeakPolarHBondContact CA-SG 3.05Å; C158-C169 HydrophobicContact CB-CB 3.88Å; C158-C169 WeakPolarHBondContact CB-SG 3.04Å; C158-C169 WeakPolarHBondContact SG-CA 3.37Å; C158-C169 WeakPolarHBondContact SG-CB 3.48Å; C158-C169 CovalentContact SG-SG 2.04Å; C158-C169 PolarHBondContact SG-SG 3.4Å; W162-C169 HydrophobicContact CB-CB 4.1Å; I163-C169 WeakPolarHBondContact O-CA 3.26Å
170	V	87.1	Confident	86	Confident	51 Å²	51	75.4 Å²	75.4	31%	0.309	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	154.7	179.8	-53.8	0	0	0	0	111	W162 I163 K165	W162-V170 CarbonylContact C-O 3.54Å; W162-V170 WeakPolarHBondContact CA-O 3.41Å; I163-V170 HydrophobicContact CD1-CG2 4.29Å; I163-V170 HydrophobicContact CG1-CG2 3.78Å; I163-V170 WeakPolarHBondContact CG1-O 3.37Å; I163-V170 PolarHBondContact N-O 3.1Å; I163-V170 PolarHBondContact O-N 3.42Å; K165-V170 HydrophobicContact CB-CG1 4.29Å; K165-V170 HydrophobicContact CB-CG2 3.71Å; K165-V170 HydrophobicContact CG-CG2 3.73Å
171	Q	87.1	Confident	86.4	Confident	139 Å²	139	71.1 Å²	71.1	65%	0.65	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.1	176.6	-171.5	173.2	-0.8	0	0	108.8	W162 V173	W162-Q171 HydrophobicContact CE3-CB 4.1Å; W162-Q171 VanDerWaalsContact CE3-N 3.3Å; W162-Q171 HydrophobicContact CH2-CB 4.05Å; W162-Q171 HydrophobicContact CZ3-CB 3.68Å; Q171-V173 PolarHBondContact O-N 3.33Å
172	S	85.5	Confident	86.9	Confident	27 Å²	27	69.3 Å²	69.3	19%	0.189	38%	0.379	C	S	.	.			trans	-71.1	128.7	179.2	57.7	0	0	0	0	111.7	C174	S172-C174 VanDerWaalsContact C-N 3.32Å
173	V	89.2	Confident	87.1	Confident	104 Å²	104	65.7 Å²	65.7	63%	0.63	37%	0.366	S	S	*	.			trans	-77.7	-24.4	167.8	-174	0	0	0	0	110.5	Q171	Q171-V173 PolarHBondContact O-N 3.33Å
174	C	90.2	Very high	87.2	Confident	10 Å²	10	66.2 Å²	66.2	7%	0.068	37%	0.369	C	S	.	.	S	Bend	trans	-69	146.5	179.8	-55.5	0	0	0	0	113.2	S172 S176 Q180 Q182 C189	S172-C174 VanDerWaalsContact C-N 3.32Å; C174-S176 VanDerWaalsContact C-N 3.28Å; C174-S176 PolarHBondContact O-N 2.88Å; C174-Q180 HydrophobicContact CB-CB 3.94Å; C174-Q182 VanDerWaalsContact SG-CA 3.52Å; C174-Q182 WeakPolarHBondContact SG-CB 3.21Å; C174-C189 WeakPolarHBondContact CA-SG 3.49Å; C174-C189 HydrophobicContact CB-CB 3.87Å; C174-C189 WeakPolarHBondContact CB-SG 3.49Å; C174-C189 WeakPolarHBondContact SG-CB 3.49Å; C174-C189 CovalentContact SG-SG 2.03Å; C174-C189 PolarHBondContact SG-SG 3.37Å
175	K	88.5	Confident	87.2	Confident	192 Å²	192	66.7 Å²	66.7	84%	0.835	36%	0.364	S	S	*	.	S	Bend	trans	-69.1	-26.2	-177.1	-175.2	-177.8	174.4	-170.3	0	112.8	Q180	K175-Q180 VanDerWaalsContact N-OE1 3.13Å
176	S	86.1	Confident	87.1	Confident	42 Å²	42	68.6 Å²	68.6	29%	0.294	38%	0.38	S	S	.	.			trans	-144.6	80.1	-176.6	-57.2	0	0	0	0	109.3	C174 D178 L179 Q180	C174-S176 VanDerWaalsContact C-N 3.28Å; C174-S176 PolarHBondContact O-N 2.88Å; S176-D178 PolarHBondContact O-N 3.01Å; S176-D178 VanDerWaalsContact O-N 3.15Å; S176-L179 CarbonylContact O-C 3.59Å; S176-L179 PolarHBondContact O-N 3.29Å; S176-Q180 WeakPolarHBondContact O-CB 3.17Å; S176-Q180 WeakPolarHBondContact O-CG 3.39Å; S176-Q180 PolarHBondContact O-N 3.49Å
177	P	84.9	Confident	87.4	Confident	38 Å²	38	64.3 Å²	64.3	25%	0.247	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.3	-172.6	23.2	-33.8	0	0	0	113.6	I163 L179	I163-P177 HydrophobicContact CG2-CB 3.72Å; P177-L179 PolarHBondContact O-N 3.5Å
178	D	85.7	Confident	88	Confident	135 Å²	135	64 Å²	64	72%	0.722	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-14.6	178.8	-35.5	-74.5	0	0	0	113	S176	S176-D178 PolarHBondContact O-N 3.01Å; S176-D178 VanDerWaalsContact O-N 3.15Å
179	L	89.6	Confident	88.4	Confident	116 Å²	116	63.1 Å²	63.1	61%	0.607	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.9	-1.5	-176	-61.3	176.4	0	0	0	113.3	S176 P177 I192	S176-L179 CarbonylContact O-C 3.59Å; S176-L179 PolarHBondContact O-N 3.29Å; P177-L179 PolarHBondContact O-N 3.5Å; L179-I192 PolarHBondContact O-N 2.79Å
180	Q	91.8	Very high	88.6	Confident	61 Å²	61	63.5 Å²	63.5	29%	0.285	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	118.4	-173.2	-64.7	178.1	-16.6	0	0	110.8	C174 K175 S176 Q182 C189 V190	C174-Q180 HydrophobicContact CB-CB 3.94Å; K175-Q180 VanDerWaalsContact N-OE1 3.13Å; S176-Q180 WeakPolarHBondContact O-CB 3.17Å; S176-Q180 WeakPolarHBondContact O-CG 3.39Å; S176-Q180 PolarHBondContact O-N 3.49Å; Q180-Q182 PolarHBondContact O-N 2.89Å; Q180-C189 HydrophobicContact CB-CB 4.4Å; Q180-V190 CarbonylContact C-O 3.56Å; Q180-V190 VanDerWaalsContact CA-O 3.24Å; Q180-V190 WeakPolarHBondContact CA-O 3.29Å
181	F	91.4	Very high	88.9	Confident	37 Å²	37	62 Å²	62	16%	0.162	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	111.9	168.1	-179.1	-103.1	0	0	0	109.5	C189 V190 K195 S206 D207	F181-C189 CarbonylContact O-C 3.47Å; F181-C189 WeakPolarHBondContact O-CA 3.28Å; F181-V190 PolarHBondContact N-O 3.32Å; F181-V190 PolarHBondContact O-N 3.46Å; F181-K195 HydrophobicContact CB-CB 4.41Å; F181-K195 HydrophobicContact CD1-CG 4.29Å; F181-K195 HydrophobicContact CD2-CD 3.71Å; F181-K195 HydrophobicContact CD2-CG 4.23Å; F181-K195 HydrophobicContact CE2-CD 3.79Å; F181-K195 HydrophobicContact CE2-CG 4.44Å; F181-K195 HydrophobicContact CG-CB 4.42Å; F181-K195 HydrophobicContact CG-CD 4.13Å; F181-K195 HydrophobicContact CG-CG 4.14Å; F181-K195 HydrophobicContact CZ-CD 4.27Å; F181-S206 WeakPolarHBondContact CZ-O 3.38Å; F181-D207 HydrophobicContact CD1-CB 4.22Å; F181-D207 HydrophobicContact CE1-CB 4.11Å
182	Q	91.8	Very high	89.1	Confident	13 Å²	13	59.7 Å²	59.7	6%	0.061	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	137.9	166	-164.1	179.2	-62.8	0	0	109.3	I163 K165 C174 Q180	I163-Q182 HydrophobicContact CD1-CB 3.93Å; K165-Q182 WeakPolarHBondContact CE-O 3.46Å; K165-Q182 PolarHBondContact NZ-O 2.86Å; C174-Q182 VanDerWaalsContact SG-CA 3.52Å; C174-Q182 WeakPolarHBondContact SG-CB 3.21Å; Q180-Q182 PolarHBondContact O-N 2.89Å
183	C	92.2	Very high	89.4	Confident	0 Å²	0	67 Å²	67	0%	0	36%	0.36	C	S	.	.			trans	-72.1	162.1	171.8	-55.4	0	0	0	0	111.9	D185 S186 T188 C202	C183-D185 VanDerWaalsContact C-N 3.3Å; C183-D185 VanDerWaalsContact CB-OD1 3.32Å; C183-D185 WeakPolarHBondContact CB-OD1 3.45Å; C183-D185 PolarHBondContact O-N 3.29Å; C183-S186 WeakPolarHBondContact O-CA 3.48Å; C183-S186 PolarHBondContact O-N 3.41Å; C183-T188 PolarHBondContact N-O 3.32Å; C183-T188 PolarHBondContact SG-OG1 3.43Å; C183-C202 HydrophobicContact CB-CB 3.82Å; C183-C202 WeakPolarHBondContact CB-SG 3.29Å; C183-C202 WeakPolarHBondContact SG-CA 3.35Å; C183-C202 WeakPolarHBondContact SG-CB 3.5Å; C183-C202 CovalentContact SG-SG 2.04Å; C183-C202 PolarHBondContact SG-SG 3.38Å
184	D	89.4	Confident	89.6	Confident	44 Å²	44	64.1 Å²	64.1	24%	0.235	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.6	-175.6	-96.6	20.3	0	0	0	114.2	K165 K166 D204 S206	K165-D184 VanDerWaalsContact CD-OD1 3.27Å; K165-D184 WeakPolarHBondContact CD-OD1 3.36Å; K165-D184 WeakPolarHBondContact CE-OD1 3.37Å; K165-D184 IonicContact NZ-OD1 2.6Å; K165-D184 PolarHBondContact NZ-OD1 3.26Å; K166-D184 WeakPolarHBondContact CE-OD2 3.41Å; K166-D184 PolarHBondContact NZ-O 3.18Å; K166-D184 IonicContact NZ-OD2 2.9Å; D184-D204 WeakPolarHBondContact CA-OD2 3.12Å; D184-D204 VanDerWaalsContact CB-OD2 3.29Å; D184-D204 WeakPolarHBondContact CB-OD2 3.39Å; D184-D204 PolarHBondContact N-OD2 2.79Å; D184-D204 VanDerWaalsContact N-OD2 3.16Å; D184-S206 VanDerWaalsContact CB-CB 3.5Å; D184-S206 PolarHBondContact N-OG 3.47Å
185	D	86.9	Confident	89.7	Confident	67 Å²	67	66.3 Å²	66.3	36%	0.358	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.3	167	75.5	-13.5	0	0	0	113.5	C183 S187 D204	C183-D185 VanDerWaalsContact C-N 3.3Å; C183-D185 VanDerWaalsContact CB-OD1 3.32Å; C183-D185 WeakPolarHBondContact CB-OD1 3.45Å; C183-D185 PolarHBondContact O-N 3.29Å; D185-S187 PolarHBondContact O-N 2.9Å; D185-S187 PolarHBondContact OD1-N 2.94Å; D185-S187 PolarHBondContact OD1-OG 3.02Å; D185-S187 WeakPolarHBondContact OD2-CB 3.49Å; D185-S187 PolarHBondContact OD2-OG 2.97Å; D185-D204 HydrophobicContact CB-CB 4.47Å; D185-D204 PolarHBondContact N-OD2 2.94Å
186	S	82.7	Confident	90	Very high	63 Å²	63	58 Å²	58	44%	0.441	32%	0.315	S	S	.	.	S	Bend	trans	59.1	16.7	-172.2	67.2	0	0	0	0	116.6	C183	C183-S186 WeakPolarHBondContact O-CA 3.48Å; C183-S186 PolarHBondContact O-N 3.41Å
187	S	84.3	Confident	90.3	Very high	71 Å²	71	58.7 Å²	58.7	50%	0.497	32%	0.316	S	S	.	.	S	Bend	trans	-78.1	-32.8	-177.9	71.1	0	0	0	0	113.8	D185	D185-S187 PolarHBondContact O-N 2.9Å; D185-S187 PolarHBondContact OD1-N 2.94Å; D185-S187 PolarHBondContact OD1-OG 3.02Å; D185-S187 WeakPolarHBondContact OD2-CB 3.49Å; D185-S187 PolarHBondContact OD2-OG 2.97Å
188	T	90.7	Very high	90.5	Very high	54 Å²	54	59.9 Å²	59.9	33%	0.331	34%	0.335	S	S	.	.			trans	-137.8	161.2	-173.1	46	0	0	0	0	112	C183 P203	C183-T188 PolarHBondContact N-O 3.32Å; C183-T188 PolarHBondContact SG-OG1 3.43Å; T188-P203 HydrophobicContact CG2-CG 4.37Å; T188-P203 WeakPolarHBondContact OG1-CD 3.32Å
189	C	93.5	Very high	90.9	Very high	53 Å²	53	58.1 Å²	58.1	36%	0.358	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	100.4	178.7	-68.1	0	0	0	0	108.1	C174 Q180 F181	C174-C189 WeakPolarHBondContact CA-SG 3.49Å; C174-C189 HydrophobicContact CB-CB 3.87Å; C174-C189 WeakPolarHBondContact CB-SG 3.49Å; C174-C189 WeakPolarHBondContact SG-CB 3.49Å; C174-C189 CovalentContact SG-SG 2.03Å; C174-C189 PolarHBondContact SG-SG 3.37Å; Q180-C189 HydrophobicContact CB-CB 4.4Å; F181-C189 CarbonylContact O-C 3.47Å; F181-C189 WeakPolarHBondContact O-CA 3.28Å
190	V	92.6	Very high	91.1	Very high	16 Å²	16	57 Å²	57	10%	0.097	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	154.4	177.4	173.2	0	0	0	0	108.7	Q180 F181 D194 E201	Q180-V190 CarbonylContact C-O 3.56Å; Q180-V190 VanDerWaalsContact CA-O 3.24Å; Q180-V190 WeakPolarHBondContact CA-O 3.29Å; F181-V190 PolarHBondContact N-O 3.32Å; F181-V190 PolarHBondContact O-N 3.46Å; V190-D194 HydrophobicContact CG1-CB 3.56Å; V190-E201 HydrophobicContact CG1-CB 3.94Å; V190-E201 HydrophobicContact CG1-CG 4.43Å; V190-E201 HydrophobicContact CG2-CB 3.8Å
191	A	93.5	Very high	91.2	Very high	20 Å²	20	59 Å²	59	17%	0.165	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	148.6	177.5	0	0	0	0	0	111	Y193 D194	A191-Y193 HydrophobicContact CB-CD1 4.03Å; A191-Y193 HydrophobicContact CB-CD2 4.27Å; A191-Y193 HydrophobicContact CB-CE1 3.51Å; A191-Y193 HydrophobicContact CB-CE2 3.76Å; A191-Y193 HydrophobicContact CB-CG 4.38Å; A191-Y193 WeakPolarHBondContact CB-OH 3.49Å; A191-Y193 PolarHBondContact O-N 3.34Å; A191-Y193 VanDerWaalsContact O-N 3.11Å; A191-D194 WeakPolarHBondContact CB-OD2 3.27Å; A191-D194 PolarHBondContact O-N 3.15Å
192	I	91.2	Very high	91.3	Very high	91 Å²	91	57.3 Å²	57.3	47%	0.467	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.4	-174.2	-165.5	167.8	0	0	0	113.9	L179	L179-I192 PolarHBondContact O-N 2.79Å
193	Y	91.6	Very high	91.3	Very high	180 Å²	180	61.2 Å²	61.2	71%	0.706	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.7	176.6	56.2	-106.1	0	0	0	113.9	A191	A191-Y193 HydrophobicContact CB-CD1 4.03Å; A191-Y193 HydrophobicContact CB-CD2 4.27Å; A191-Y193 HydrophobicContact CB-CE1 3.51Å; A191-Y193 HydrophobicContact CB-CE2 3.76Å; A191-Y193 HydrophobicContact CB-CG 4.38Å; A191-Y193 WeakPolarHBondContact CB-OH 3.49Å; A191-Y193 PolarHBondContact O-N 3.34Å; A191-Y193 VanDerWaalsContact O-N 3.11Å
194	D	93.8	Very high	91.3	Very high	43 Å²	43	64.2 Å²	64.2	23%	0.23	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-12.4	175.4	-63.5	-43.2	0	0	0	111.7	V190 A191 N197 E201	V190-D194 HydrophobicContact CG1-CB 3.56Å; A191-D194 WeakPolarHBondContact CB-OD2 3.27Å; A191-D194 PolarHBondContact O-N 3.15Å; D194-N197 WeakPolarHBondContact CA-ND2 2.99Å; D194-N197 PolarHBondContact O-ND2 3.31Å; D194-N197 VanDerWaalsContact O-ND2 3.16Å; D194-N197 PolarHBondContact O-OD1 2.94Å; D194-E201 HydrophobicContact CB-CG 4.42Å
195	K	92.2	Very high	91.3	Very high	56 Å²	56	62.8 Å²	62.8	24%	0.243	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	131.2	172.4	-161.7	-154.6	-175.3	-59.2	0	110.7	F181 N197 D207 L209	F181-K195 HydrophobicContact CB-CB 4.41Å; F181-K195 HydrophobicContact CD1-CG 4.29Å; F181-K195 HydrophobicContact CD2-CD 3.71Å; F181-K195 HydrophobicContact CD2-CG 4.23Å; F181-K195 HydrophobicContact CE2-CD 3.79Å; F181-K195 HydrophobicContact CE2-CG 4.44Å; F181-K195 HydrophobicContact CG-CB 4.42Å; F181-K195 HydrophobicContact CG-CD 4.13Å; F181-K195 HydrophobicContact CG-CG 4.14Å; F181-K195 HydrophobicContact CZ-CD 4.27Å; K195-N197 VanDerWaalsContact C-N 3.34Å; K195-D207 HydrophobicContact CG-CB 4.24Å; K195-D207 WeakPolarHBondContact CG-O 3.38Å; K195-D207 PolarHBondContact NZ-O 3.43Å; K195-L209 PolarHBondContact NZ-O 2.84Å
196	C	93.6	Very high	91.6	Very high	17 Å²	17	59.8 Å²	59.8	12%	0.115	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	35	-178.3	-55.4	0	0	0	0	113.3	E208 C211 V215	C196-E208 WeakPolarHBondContact CA-OE1 3.39Å; C196-E208 PolarHBondContact N-OE1 3.2Å; C196-C211 WeakPolarHBondContact CA-SG 2.99Å; C196-C211 HydrophobicContact CB-CB 3.7Å; C196-C211 WeakPolarHBondContact CB-SG 3.47Å; C196-C211 WeakPolarHBondContact SG-CA 3.3Å; C196-C211 WeakPolarHBondContact SG-CB 3.33Å; C196-C211 CovalentContact SG-SG 2.03Å; C196-C211 PolarHBondContact SG-SG 3.28Å; C196-V215 VanDerWaalsContact O-CG1 3.26Å; C196-V215 WeakPolarHBondContact O-CG1 3.49Å
197	N	92.8	Very high	92	Very high	57 Å²	57	56.8 Å²	56.8	31%	0.305	33%	0.327	S	S	.	.	S	Bend	trans	-93.8	-7.5	-179.8	74.4	3.9	0	0	0	113.5	D194 K195 I199 E208	D194-N197 WeakPolarHBondContact CA-ND2 2.99Å; D194-N197 PolarHBondContact O-ND2 3.31Å; D194-N197 VanDerWaalsContact O-ND2 3.16Å; D194-N197 PolarHBondContact O-OD1 2.94Å; K195-N197 VanDerWaalsContact C-N 3.34Å; N197-I199 WeakPolarHBondContact OD1-CA 3.48Å; N197-I199 VanDerWaalsContact OD1-CB 3.25Å; N197-I199 WeakPolarHBondContact OD1-CB 3.42Å; N197-I199 PolarHBondContact OD1-N 3.23Å; N197-I199 PolarHBondContact OD1-O 3.06Å; N197-E208 PolarHBondContact N-OE1 2.04Å; N197-E208 PolarHBondContact N-OE2 2.92Å
198	G	89.7	Confident	92.5	Very high	64 Å²	64	55.8 Å²	55.8	66%	0.66	31%	0.314	S	S	*	.	S	Bend	trans	92.2	5.3	-174.7	0	0	0	0	0	115.1	E208	G198-E208 WeakPolarHBondContact CA-OE2 3.45Å; G198-E208 PolarHBondContact N-OE2 3.42Å
199	I	93.5	Very high	92.4	Very high	97 Å²	97	57.3 Å²	57.3	50%	0.497	32%	0.32	S	S	.	.	S	Bend	trans	-125.6	137.6	-176.7	-50.7	177.7	0	0	0	108.1	N197 E201 E208	N197-I199 WeakPolarHBondContact OD1-CA 3.48Å; N197-I199 VanDerWaalsContact OD1-CB 3.25Å; N197-I199 WeakPolarHBondContact OD1-CB 3.42Å; N197-I199 PolarHBondContact OD1-N 3.23Å; N197-I199 PolarHBondContact OD1-O 3.06Å; I199-E201 WeakPolarHBondContact CG2-OE1 3.38Å; I199-E201 PolarHBondContact O-N 3.37Å; I199-E208 VanDerWaalsContact O-CG 3.3Å; I199-E208 WeakPolarHBondContact O-CG 3.48Å
200	V	93.5	Very high	92	Very high	94 Å²	94	64.1 Å²	64.1	57%	0.57	34%	0.344	S	S	*	.			trans	-90.5	104.7	177.2	169.8	0	0	0	0	109.6	C202 E208	V200-C202 WeakPolarHBondContact CG1-O 3.49Å; V200-E208 HydrophobicContact CG2-CB 4.45Å; V200-E208 HydrophobicContact CG2-CG 4.08Å
201	E	93.6	Very high	91.7	Very high	103 Å²	103	65 Å²	65	48%	0.481	35%	0.35	S	S	.	.			trans	-96.9	-32.4	173.1	-61.1	-63.9	153.8	0	0	111.2	V190 D194 I199 D207	V190-E201 HydrophobicContact CG1-CB 3.94Å; V190-E201 HydrophobicContact CG1-CG 4.43Å; V190-E201 HydrophobicContact CG2-CB 3.8Å; D194-E201 HydrophobicContact CB-CG 4.42Å; I199-E201 WeakPolarHBondContact CG2-OE1 3.38Å; I199-E201 PolarHBondContact O-N 3.37Å; E201-D207 WeakPolarHBondContact CA-OD2 3.4Å; E201-D207 WeakPolarHBondContact CB-OD2 3.21Å; E201-D207 PolarHBondContact N-OD2 2.86Å
202	C	93.8	Very high	91.3	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.007	37%	0.37	C	S	.	.	S	Bend	trans	-71.8	133.5	172.9	-80	0	0	0	0	111.4	C183 V200 D204 G205 D207	C183-C202 HydrophobicContact CB-CB 3.82Å; C183-C202 WeakPolarHBondContact CB-SG 3.29Å; C183-C202 WeakPolarHBondContact SG-CA 3.35Å; C183-C202 WeakPolarHBondContact SG-CB 3.5Å; C183-C202 CovalentContact SG-SG 2.04Å; C183-C202 PolarHBondContact SG-SG 3.38Å; V200-C202 WeakPolarHBondContact CG1-O 3.49Å; C202-D204 WeakPolarHBondContact CB-OD1 3.29Å; C202-D204 PolarHBondContact O-N 2.96Å; C202-G205 PolarHBondContact O-N 3.38Å; C202-D207 HydrophobicContact CB-CB 4.25Å; C202-D207 PolarHBondContact N-OD2 2.9Å
203	P	92.3	Very high	90.1	Very high	94 Å²	94	69.8 Å²	69.8	61%	0.61	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.1	176.9	-26.6	36	0	0	0	115.5	T188	T188-P203 HydrophobicContact CG2-CG 4.37Å; T188-P203 WeakPolarHBondContact OG1-CD 3.32Å
204	D	91.2	Very high	88.6	Confident	63 Å²	63	72.5 Å²	72.5	34%	0.337	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	0.8	176.9	65.7	2.3	0	0	0	114	D184 D185 C202 S206	D184-D204 WeakPolarHBondContact CA-OD2 3.12Å; D184-D204 VanDerWaalsContact CB-OD2 3.29Å; D184-D204 WeakPolarHBondContact CB-OD2 3.39Å; D184-D204 PolarHBondContact N-OD2 2.79Å; D184-D204 VanDerWaalsContact N-OD2 3.16Å; D185-D204 HydrophobicContact CB-CB 4.47Å; D185-D204 PolarHBondContact N-OD2 2.94Å; C202-D204 WeakPolarHBondContact CB-OD1 3.29Å; C202-D204 PolarHBondContact O-N 2.96Å; D204-S206 VanDerWaalsContact CG-OG 3.29Å; D204-S206 PolarHBondContact O-N 2.94Å; D204-S206 WeakPolarHBondContact OD1-CB 3.44Å; D204-S206 PolarHBondContact OD1-N 2.88Å; D204-S206 PolarHBondContact OD1-OG 2.93Å; D204-S206 PolarHBondContact OD2-OG 3.04Å
205	G	90.5	Very high	86.8	Confident	15 Å²	15	74.6 Å²	74.6	16%	0.155	41%	0.411	C	S	.	.	S	Bend	trans	67.6	13.3	-176.5	0	0	0	0	0	115.6	C202 D207 E208 L209	C202-G205 PolarHBondContact O-N 3.38Å; G205-D207 VanDerWaalsContact C-N 3.26Å; G205-D207 WeakPolarHBondContact CA-OD1 3.38Å; G205-D207 PolarHBondContact O-N 3.09Å; G205-E208 PolarHBondContact O-N 2.82Å; G205-E208 VanDerWaalsContact O-N 3.15Å; G205-L209 WeakPolarHBondContact O-CG 3.49Å; G205-L209 PolarHBondContact O-N 2.95Å
206	S	92	Very high	84.8	Confident	4 Å²	4	78.1 Å²	78.1	3%	0.028	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.5	-173.9	61.2	0	0	0	0	115.7	F181 D184 D204	F181-S206 WeakPolarHBondContact CZ-O 3.38Å; D184-S206 VanDerWaalsContact CB-CB 3.5Å; D184-S206 PolarHBondContact N-OG 3.47Å; D204-S206 VanDerWaalsContact CG-OG 3.29Å; D204-S206 PolarHBondContact O-N 2.94Å; D204-S206 WeakPolarHBondContact OD1-CB 3.44Å; D204-S206 PolarHBondContact OD1-N 2.88Å; D204-S206 PolarHBondContact OD1-OG 2.93Å; D204-S206 PolarHBondContact OD2-OG 3.04Å
207	D	92.7	Very high	82.7	Confident	0 Å²	0	85.6 Å²	85.6	0%	0	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-44.3	164.6	46.1	-2.2	0	0	0	111.7	F181 K195 E201 C202 G205 L209 C211	F181-D207 HydrophobicContact CD1-CB 4.22Å; F181-D207 HydrophobicContact CE1-CB 4.11Å; K195-D207 HydrophobicContact CG-CB 4.24Å; K195-D207 WeakPolarHBondContact CG-O 3.38Å; K195-D207 PolarHBondContact NZ-O 3.43Å; E201-D207 WeakPolarHBondContact CA-OD2 3.4Å; E201-D207 WeakPolarHBondContact CB-OD2 3.21Å; E201-D207 PolarHBondContact N-OD2 2.86Å; C202-D207 HydrophobicContact CB-CB 4.25Å; C202-D207 PolarHBondContact N-OD2 2.9Å; G205-D207 VanDerWaalsContact C-N 3.26Å; G205-D207 WeakPolarHBondContact CA-OD1 3.38Å; G205-D207 PolarHBondContact O-N 3.09Å; D207-L209 VanDerWaalsContact C-N 3.31Å; D207-L209 PolarHBondContact O-N 3.45Å; D207-C211 PolarHBondContact O-SG 3.39Å
208	E	93.9	Very high	80.5	Confident	49 Å²	49	90.7 Å²	90.7	23%	0.229	48%	0.484	C	S	.	.	S	Bend	trans	-87.1	0.7	180	-61.1	-52.1	99.8	0	0	113.8	C196 N197 G198 I199 V200 G205	C196-E208 WeakPolarHBondContact CA-OE1 3.39Å; C196-E208 PolarHBondContact N-OE1 3.2Å; N197-E208 PolarHBondContact N-OE1 2.04Å; N197-E208 PolarHBondContact N-OE2 2.92Å; G198-E208 WeakPolarHBondContact CA-OE2 3.45Å; G198-E208 PolarHBondContact N-OE2 3.42Å; I199-E208 VanDerWaalsContact O-CG 3.3Å; I199-E208 WeakPolarHBondContact O-CG 3.48Å; V200-E208 HydrophobicContact CG2-CB 4.45Å; V200-E208 HydrophobicContact CG2-CG 4.08Å; G205-E208 PolarHBondContact O-N 2.82Å; G205-E208 VanDerWaalsContact O-N 3.15Å
209	L	89.5	Confident	78.3	Confident	86 Å²	86	97.4 Å²	97.4	45%	0.45	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	147.2	173	-63.6	-177.3	0	0	0	113.1	K195 G205 D207 C211	K195-L209 PolarHBondContact NZ-O 2.84Å; G205-L209 WeakPolarHBondContact O-CG 3.49Å; G205-L209 PolarHBondContact O-N 2.95Å; D207-L209 VanDerWaalsContact C-N 3.31Å; D207-L209 PolarHBondContact O-N 3.45Å; L209-C211 PolarHBondContact O-N 3.05Å
210	F	84.3	Confident	75.5	Confident	197 Å²	197	99 Å²	99	86%	0.864	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	26.3	177.9	-56	-79.2	0	0	0	115
211	C	87.1	Confident	73.1	Confident	35 Å²	35	102.4 Å²	102.4	24%	0.236	52%	0.517	C	S	.	.			trans	-69.1	137.5	175.8	-64.6	0	0	0	0	112	C196 D207 L209 S213	C196-C211 WeakPolarHBondContact CA-SG 2.99Å; C196-C211 HydrophobicContact CB-CB 3.7Å; C196-C211 WeakPolarHBondContact CB-SG 3.47Å; C196-C211 WeakPolarHBondContact SG-CA 3.3Å; C196-C211 WeakPolarHBondContact SG-CB 3.33Å; C196-C211 CovalentContact SG-SG 2.03Å; C196-C211 PolarHBondContact SG-SG 3.28Å; D207-C211 PolarHBondContact O-SG 3.39Å; L209-C211 PolarHBondContact O-N 3.05Å; C211-S213 PolarHBondContact O-N 3.39Å
212	P	83.7	Confident	70.4	Confident	89 Å²	89	102.9 Å²	102.9	58%	0.578	53%	0.527	S	S	*	.			trans	-63.5	131.4	173.8	27.3	-33.3	0	0	0	109.3	R214 V215	P212-R214 PolarHBondContact O-N 3.39Å; P212-V215 HydrophobicContact CG-CG2 4.5Å; P212-V215 PolarHBondContact O-N 3.4Å
213	S	66.6	Low	67.8	Low	122 Å²	122	109.3 Å²	109.3	85%	0.853	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	42.7	-168.8	-40.1	0	0	0	0	114.8	C211	C211-S213 PolarHBondContact O-N 3.39Å
214	R	60.3	Low	65.2	Low	237 Å²	237	111.5 Å²	111.5	89%	0.894	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.8	4.4	176.9	-64.5	-172.4	178.2	-178	-0.1	113.2	P212	P212-R214 PolarHBondContact O-N 3.39Å
215	V	55.7	Low	62.7	Low	86 Å²	86	113.8 Å²	113.8	52%	0.521	60%	0.597	S	S	.	*			trans	-107	53.2	171.8	-160.4	0	0	0	0	110.2	C196 P212	C196-V215 VanDerWaalsContact O-CG1 3.26Å; C196-V215 WeakPolarHBondContact O-CG1 3.49Å; P212-V215 HydrophobicContact CG-CG2 4.5Å; P212-V215 PolarHBondContact O-N 3.4Å
216	I	51.1	Low	60.2	Low	130 Å²	130	121 Å²	121	67%	0.667	63%	0.631	S	S	*	*			trans	-127.8	136.5	161.1	-53.2	-178.4	0	0	0	106.1
217	H	49.3	Very low	57.6	Low	174 Å²	174	126.1 Å²	126.1	81%	0.806	66%	0.664	S	S	*	*	S	Bend	trans	69.8	90.2	-173.6	-39	-70.3	0	0	0	115.5
218	K	45.5	Very low	54.9	Low	164 Å²	164	136.3 Å²	136.3	71%	0.713	70%	0.703	S	S	*	*				176.4	96	95.3	-90.8	-173.1	177.9	-162.1	0	112.5
219	Q	43.6	Very low	52.3	Low	205 Å²	205	139.7 Å²	139.7	96%	0.958	72%	0.722	S	S	*	*	S	Bend	trans	-104.5	60.9	142.6	-71.6	-163.5	10.6	0	0	109.1
220	N	35.5	Very low	50	Low	131 Å²	131	142.7 Å²	142.7	70%	0.701	73%	0.734	S	S	*	*	S	Bend	trans	-152.9	110.7	162.6	-109.2	-10.8	0	0	0	106.1
221	E	42.8	Very low	48	Very low	165 Å²	165	141.1 Å²	141.1	77%	0.771	73%	0.727	S	S	*	*			trans	63.4	138.6	174.6	-57.7	174.7	-173.4	0	0	117.1
222	T	38.3	Very low	45.5	Very low	114 Å²	114	148.3 Å²	148.3	70%	0.699	76%	0.757	S	S	*	*			cis	-161.9	162.5	-10	-90.3	0	0	0	0	107.7
223	N	38.6	Very low	43	Very low	135 Å²	135	147.4 Å²	147.4	72%	0.722	76%	0.764	S	S	*	*			trans	-24.7	131	175.1	-57.3	-47.7	0	0	0	116.4	S225	N223-S225 PolarHBondContact O-N 3.44Å; N223-S225 VanDerWaalsContact O-N 3.14Å
224	P	36.9	Very low	41.6	Very low	141 Å²	141	150.2 Å²	150.2	92%	0.916	76%	0.763	S	S	*	*			trans	-75.9	102.1	177.3	30.2	-33.6	0	0	0	111.9
225	S	39.8	Very low	40.5	Very low	110 Å²	110	147.4 Å²	147.4	77%	0.769	76%	0.758	S	S	*	*			trans	-126.8	98.3	171.9	61.4	0	0	0	0	112.4	N223	N223-S225 PolarHBondContact O-N 3.44Å; N223-S225 VanDerWaalsContact O-N 3.14Å
226	L	36.9	Very low	39.7	Very low	166 Å²	166	150.3 Å²	150.3	87%	0.869	77%	0.77	S	S	*	*			trans	-61.2	165.8	165	-73.7	152.7	0	0	0	111.4
227	P	37.1	Very low	39.1	Very low	113 Å²	113	147.8 Å²	147.8	73%	0.734	78%	0.777	S	S	*	*			cis	-139.2	-154.6	-32.1	37.5	-18.3	0	0	0	111.4
228	R	36	Very low	38.4	Very low	214 Å²	214	143.3 Å²	143.3	81%	0.808	78%	0.777	S	S	*	*			trans	120.2	141.6	133.3	-159.1	-176	-177.2	170.1	4	117.2
229	N	39.1	Very low	38.3	Very low	119 Å²	119	143.2 Å²	143.2	64%	0.636	78%	0.783	S	S	*	*			trans	72	147.3	165	-73.1	-14.9	0	0	0	118.5
230	Q	42.9	Very low	37.7	Very low	149 Å²	149	140.9 Å²	140.9	70%	0.696	78%	0.777	S	S	*	*			cis	-171.9	155.9	-28.4	-127.6	179.9	18.5	0	0	110.4
231	K	40.7	Very low	37.9	Very low	164 Å²	164	139.9 Å²	139.9	71%	0.713	78%	0.78	S	S	*	*			trans	70.4	136	170.6	-57.2	172.7	-176.1	-178.9	0	114.4
232	Q	35	Very low	37.4	Very low	187 Å²	187	141.8 Å²	141.8	87%	0.874	79%	0.785	S	S	*	*				63.5	117.6	53.1	-58.7	165.9	-63.8	0	0	111.8
233	G	31.1	Very low	37.4	Very low	70 Å²	70	141.6 Å²	141.6	72%	0.722	79%	0.786	S	S	*	*			cis	133.5	128.8	-1.4	0	0	0	0	0	110.6
234	E	37.9	Very low	37	Very low	180 Å²	180	139.7 Å²	139.7	84%	0.841	78%	0.784	S	S	*	*			trans	-165.6	147.1	176.7	-154.7	74.8	122.3	0	0	114.2
235	F	37.9	Very low	36.7	Very low	178 Å²	178	140.7 Å²	140.7	78%	0.781	78%	0.781	S	S	*	*			trans	50.3	135.5	155.6	-107.1	-109.1	0	0	0	127.4
236	D	37.9	Very low	36.4	Very low	147 Å²	147	140.3 Å²	140.3	79%	0.786	78%	0.784	S	S	*	*			trans	-64.6	168.8	171.6	-52.1	-63.9	0	0	0	116.4
237	G	38	Very low	36.1	Very low	78 Å²	78	136.3 Å²	136.3	80%	0.804	77%	0.771	S	S	*	*			trans	-175	4.9	173	0	0	0	0	0	125.7
238	G	35.8	Very low	35.9	Very low	79 Å²	79	141.5 Å²	141.5	81%	0.814	78%	0.777	S	S	*	*			trans	82.2	171.8	154.2	0	0	0	0	0	123.5
239	I	41.6	Very low	35.9	Very low	163 Å²	163	140.2 Å²	140.2	84%	0.836	78%	0.78	S	S	*	*			trans	71.7	86.6	162.6	-44.4	-176	0	0	0	120.1
240	L	33	Very low	35.9	Very low	156 Å²	156	139.6 Å²	139.6	82%	0.817	78%	0.783	S	S	*	*				38.3	126.6	114.6	-160.8	75.4	0	0	0	121.2
241	S	38.8	Very low	35.5	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	79%	0.788	S	S	*	*			trans	138.9	120.4	139.1	-60.8	0	0	0	0	115.1
242	K	31.7	Very low	35.2	Very low	204 Å²	204	138.7 Å²	138.7	89%	0.887	79%	0.785	S	S	*	*			trans	-88	172	156.7	-101.5	-178.8	177.3	177.5	0	108.7
243	P	37.9	Very low	35.1	Very low	110 Å²	110	136.8 Å²	136.8	71%	0.714	77%	0.77	S	S	*	*			cis	-141.5	-173	18.9	38.7	-16.9	0	0	0	117.5
244	S	32.3	Very low	35.3	Very low	96 Å²	96	143.3 Å²	143.3	67%	0.671	77%	0.774	S	S	*	*			trans	67.5	109.3	144.2	62.1	0	0	0	0	123.6
245	N	28.7	Very low	35.3	Very low	162 Å²	162	140.9 Å²	140.9	87%	0.866	76%	0.763	S	S	*	*			trans	62.4	162.3	134	-71.9	5.5	0	0	0	122.4
246	A	34.9	Very low	35.1	Very low	101 Å²	101	137.4 Å²	137.4	84%	0.835	76%	0.761	S	S	*	*			trans	72	141.6	-177.8	0	0	0	0	0	115.1
247	S	30.5	Very low	35.1	Very low	83 Å²	83	135.6 Å²	135.6	58%	0.58	76%	0.76	S	S	*	*			cis	-165.9	175.6	-9.2	173.3	0	0	0	0	110.9
248	Y	33.3	Very low	34.9	Very low	222 Å²	222	140.1 Å²	140.1	87%	0.871	76%	0.76	S	S	*	*			trans	102.5	128.2	156.8	-59.8	-72	0	0	0	120.3
249	Q	35.6	Very low	34.9	Very low	186 Å²	186	142 Å²	142	87%	0.869	76%	0.757	S	S	*	*			trans	-124.7	-131	176.9	-75.5	-172.8	-27	0	0	109.6
250	P	37.9	Very low	34.5	Very low	106 Å²	106	138.5 Å²	138.5	69%	0.688	75%	0.748	S	S	*	*				-129.2	-173.2	-104.7	40.8	-22.7	0	0	0	115.1
251	L	34.5	Very low	34.6	Very low	155 Å²	155	141.2 Å²	141.2	81%	0.812	75%	0.753	S	S	*	*			trans	-146.6	121.7	154.9	-79.4	177.6	0	0	0	108
252	E	35.4	Very low	34.2	Very low	140 Å²	140	143.6 Å²	143.6	65%	0.654	76%	0.756	S	S	*	*				78.2	147.1	78.2	-82.9	-134.6	141	0	0	114.6
253	R	32.6	Very low	34.4	Very low	146 Å²	146	140.5 Å²	140.5	55%	0.551	76%	0.755	S	S	*	*			cis	-167.2	150.5	2.1	150.1	-169.2	-58	-122.4	-2.6	111.2
254	Y	34.8	Very low	34.3	Very low	207 Å²	207	141.4 Å²	141.4	81%	0.812	76%	0.759	S	S	*	*			trans	169.6	113.2	137.2	-112.2	-93.7	0	0	0	107.7
255	Q	37.2	Very low	34.7	Very low	130 Å²	130	142 Å²	142	61%	0.607	76%	0.762	S	S	*	*				56.5	128.4	68.7	-65.5	-171.1	-75.3	0	0	113.2
256	S	34.4	Very low	35.2	Very low	104 Å²	104	145.8 Å²	145.8	73%	0.727	77%	0.765	S	S	*	*			cis	-162.4	177.7	0.4	-157.9	0	0	0	0	108
257	S	37.3	Very low	35.5	Very low	110 Å²	110	146.1 Å²	146.1	77%	0.769	76%	0.761	S	S	*	*			cis	-156	-175.8	17.1	-70	0	0	0	0	111.5
258	Q	33.8	Very low	36	Very low	172 Å²	172	148.3 Å²	148.3	80%	0.804	77%	0.771	S	S	*	*			trans	-128.2	-177.2	164.9	-132	-174.2	43.9	0	0	108.9
259	P	37.6	Very low	36.4	Very low	118 Å²	118	142.9 Å²	142.9	77%	0.766	77%	0.765	S	S	*	*			cis	-146.5	-169.2	49.7	42.2	-20.1	0	0	0	116.2
260	S	32.9	Very low	37	Very low	90 Å²	90	139.8 Å²	139.8	63%	0.629	76%	0.761	S	S	*	*			trans	-120.7	166.9	-174.6	49.4	0	0	0	0	113.7
261	F	35.3	Very low	37.1	Very low	213 Å²	213	139.1 Å²	139.1	93%	0.934	77%	0.765	S	S	*	*			trans	-131.8	149.1	167.3	-85.3	-83.3	0	0	0	110.9
262	L	30.6	Very low	37.4	Very low	160 Å²	160	139.6 Å²	139.6	84%	0.838	77%	0.768	S	S	*	*			trans	-118.3	142.9	-174.4	-71.9	153.2	0	0	0	110.8
263	T	35.7	Very low	37.9	Very low	139 Å²	139	139.5 Å²	139.5	85%	0.853	77%	0.77	S	S	*	*			trans	-166.7	106.1	142.5	26.4	0	0	0	0	113
264	T	35.3	Very low	38	Very low	130 Å²	130	139.7 Å²	139.7	80%	0.798	78%	0.782	S	S	*	*			trans	25.5	116.4	130.2	-35.3	0	0	0	0	120.6
265	S	40.3	Very low	38.2	Very low	107 Å²	107	137 Å²	137	75%	0.748	78%	0.781	S	S	*	*				165.9	115.2	104.3	53.4	0	0	0	0	118
266	R	39	Very low	38.4	Very low	243 Å²	243	138.8 Å²	138.8	92%	0.917	79%	0.789	S	S	*	*				65.4	129.6	129.9	-145.4	177.1	-160.1	167.4	5.4	123.2
267	S	41.5	Very low	38.5	Very low	107 Å²	107	140.5 Å²	140.5	75%	0.748	79%	0.79	S	S	*	*			trans	76	138.2	157	-123.4	0	0	0	0	117.9
268	T	40.7	Very low	38.6	Very low	129 Å²	129	143.1 Å²	143.1	79%	0.791	79%	0.794	S	S	*	*			cis	-148.2	152.8	2.4	-33.9	0	0	0	0	111.6
269	S	42.4	Very low	38.8	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	79%	0.789	S	S	*	*			trans	-77.2	-175.2	180	-43.6	0	0	0	0	113.6
270	P	47.4	Very low	38.6	Very low	121 Å²	121	141 Å²	141	79%	0.786	79%	0.79	S	S	*	*			cis	-119	157.1	-1.1	38.7	-23.2	0	0	0	114.1
271	A	40.1	Very low	38.9	Very low	92 Å²	92	142.3 Å²	142.3	76%	0.76	80%	0.796	S	S	*	*			cis	85.4	113.1	40.8	0	0	0	0	0	115.1
272	L	41.3	Very low	38.9	Very low	166 Å²	166	139 Å²	139	87%	0.869	79%	0.787	S	S	*	*			trans	-136.9	156.7	153	-120.8	177.3	0	0	0	107.7
273	I	44.7	Very low	39.1	Very low	137 Å²	137	140.9 Å²	140.9	70%	0.703	79%	0.789	S	S	*	*			trans	-91.2	140.1	-157.8	-69	71.7	0	0	0	112	L275	I273-L275 HydrophobicContact CG2-CB 3.93Å
274	D	35.2	Very low	38.9	Very low	151 Å²	151	144.1 Å²	144.1	81%	0.807	79%	0.787	S	S	*	*			trans	-116.1	136.2	153.3	-163.7	-4.2	0	0	0	106.9
275	L	40.3	Very low	39	Very low	150 Å²	150	145 Å²	145	79%	0.785	79%	0.792	S	S	*	*			trans	-146.6	129.4	-177.3	-166.6	67.6	0	0	0	112.7	I273	I273-L275 HydrophobicContact CG2-CB 3.93Å
276	H	40.1	Very low	38.9	Very low	168 Å²	168	144.8 Å²	144.8	78%	0.778	79%	0.791	S	S	*	*			trans	-73.7	150.4	-179.7	-90.4	-103.8	0	0	0	114.1
277	D	37.9	Very low	39.4	Very low	140 Å²	140	139 Å²	139	75%	0.749	79%	0.785	S	S	*	*				48.2	115.1	126.4	-162.7	15.2	0	0	0	119.2
278	L	38	Very low	39.4	Very low	165 Å²	165	140 Å²	140	86%	0.864	79%	0.789	S	S	*	*			trans	-164.2	155	144.4	-110.2	165.3	0	0	0	111.8
279	S	37.6	Very low	39	Very low	99 Å²	99	140.4 Å²	140.4	69%	0.692	79%	0.786	S	S	*	*			trans	-90.4	171.1	-170.3	59.5	0	0	0	0	115.3
280	D	33.9	Very low	38.7	Very low	147 Å²	147	145.8 Å²	145.8	79%	0.786	79%	0.792	S	S	*	*			trans	-25.8	146.9	152.9	-86	-57.6	0	0	0	115
281	P	38.8	Very low	38.3	Very low	116 Å²	116	146 Å²	146	75%	0.753	78%	0.782	S	S	*	*				-151.9	175.1	57.5	42.4	-22.7	0	0	0	119.6
282	L	36.6	Very low	38.3	Very low	144 Å²	144	149.6 Å²	149.6	75%	0.754	79%	0.788	S	S	*	*			trans	-2.3	132.9	152.4	-52	173.4	0	0	0	118.6
283	F	35	Very low	38	Very low	200 Å²	200	148 Å²	148	88%	0.877	78%	0.781	S	S	*	*				-176.8	170.3	104.4	-112.5	-86.3	0	0	0	113.7
284	Y	31.9	Very low	37.5	Very low	206 Å²	206	152.7 Å²	152.7	81%	0.808	79%	0.79	S	S	*	*			trans	-71.3	147.9	-177.3	-88.1	-110.2	0	0	0	115.3
285	T	37	Very low	37.5	Very low	148 Å²	148	153 Å²	153	91%	0.908	79%	0.786	S	S	*	*			trans	-147.5	144.9	136.8	39.4	0	0	0	0	110.5
286	S	36.6	Very low	37.5	Very low	103 Å²	103	154.5 Å²	154.5	72%	0.72	79%	0.789	S	S	*	*			trans	-133	146.8	179.1	49.9	0	0	0	0	112.2
287	P	49.4	Very low	37.3	Very low	123 Å²	123	154.8 Å²	154.8	80%	0.799	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-84.4	165.9	173.1	34.5	-33.4	0	0	0	112.4
288	P	41.6	Very low	37.1	Very low	127 Å²	127	155.2 Å²	155.2	83%	0.825	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-95.9	162.4	-142.1	35.6	-37.9	0	0	0	117.1
289	N	33.3	Very low	36.9	Very low	137 Å²	137	157.1 Å²	157.1	73%	0.733	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-84.3	150.6	176.1	-167.6	14.2	0	0	0	112
290	Y	37	Very low	36.9	Very low	221 Å²	221	158.1 Å²	158.1	87%	0.867	81%	0.807	S	S	*	*			trans	-122.7	115.6	173.3	-121.4	-87.1	0	0	0	109.8
291	H	37.9	Very low	37.1	Very low	126 Å²	126	159.7 Å²	159.7	58%	0.583	81%	0.809	S	S	*	*			trans	-69.9	149	177.5	-92.2	-104.5	0	0	0	112.4	D293	H291-D293 IonicContact CE1-OD2 3.96Å; H291-D293 IonicContact CG-OD2 3.23Å; H291-D293 IonicContact ND1-OD1 2.91Å; H291-D293 IonicContact ND1-OD2 2.68Å; H291-D293 PolarHBondContact ND1-OD2 3.07Å
292	N	40.9	Very low	37.1	Very low	167 Å²	167	159.9 Å²	159.9	89%	0.893	81%	0.81	S	S	*	*			trans	-161.2	95.3	141.3	-97.8	-42.5	0	0	0	109.4
293	D	33.9	Very low	37.1	Very low	133 Å²	133	161.2 Å²	161.2	71%	0.711	82%	0.816	S	S	*	*			trans	-75.8	136.8	178.5	-56.2	-98.3	0	0	0	111.9	H291	H291-D293 IonicContact CE1-OD2 3.96Å; H291-D293 IonicContact CG-OD2 3.23Å; H291-D293 IonicContact ND1-OD1 2.91Å; H291-D293 IonicContact ND1-OD2 2.68Å; H291-D293 PolarHBondContact ND1-OD2 3.07Å
294	R	35.5	Very low	37	Very low	236 Å²	236	161 Å²	161	89%	0.891	82%	0.815	S	S	*	*			trans	-152.5	137.4	151.4	-161.3	163.8	-178.5	132.3	2.6	112.7
295	E	35.5	Very low	37.1	Very low	157 Å²	157	157.4 Å²	157.4	73%	0.734	82%	0.82	S	S	*	*			trans	-86.3	146.2	-173.1	-51.7	141.3	94.1	0	0	113.7
296	Q	38.9	Very low	37.1	Very low	182 Å²	182	154 Å²	154	85%	0.85	81%	0.807	S	S	*	*			trans	-173.8	96.9	131.7	-101.5	154.9	56.1	0	0	108.2
297	Q	35.8	Very low	37	Very low	173 Å²	173	156 Å²	156	81%	0.808	81%	0.81	S	S	*	*				42.1	99	93.7	-71.3	-159.9	16	0	0	115.5
298	T	33.8	Very low	36.6	Very low	149 Å²	149	159.6 Å²	159.6	91%	0.914	82%	0.816	S	S	*	*				-159.7	138.7	123.3	6.3	0	0	0	0	110.2
299	K	34	Very low	36.3	Very low	205 Å²	205	162 Å²	162	89%	0.891	81%	0.813	S	S	*	*			trans	-117.2	134.2	173.7	-68	177	178	176.7	0	109
300	S	37.8	Very low	36.6	Very low	120 Å²	120	161.1 Å²	161.1	84%	0.839	82%	0.815	S	S	*	*			trans	-169.5	150.5	144.2	49.3	0	0	0	0	113.2
301	H	39	Very low	36.4	Very low	180 Å²	180	156.5 Å²	156.5	83%	0.833	81%	0.805	S	S	*	*			trans	-81.1	169.8	-170.7	-72	-87.2	0	0	0	114.7
302	P	38.7	Very low	36.3	Very low	120 Å²	120	160.6 Å²	160.6	78%	0.779	82%	0.821	S	S	*	*			trans	-93.8	153.7	-170.9	36.6	-35.8	0	0	0	115
303	I	36.4	Very low	35.9	Very low	172 Å²	172	158 Å²	158	88%	0.882	81%	0.808	S	S	*	*			trans	-140.1	146.4	169.3	-61.7	-177.2	0	0	0	109.6
304	K	31.4	Very low	36.3	Very low	196 Å²	196	158.4 Å²	158.4	85%	0.852	82%	0.815	S	S	*	*			trans	-82.5	143.2	174.5	-62	176	178.6	177.9	0	111.7
305	S	35.1	Very low	36.4	Very low	130 Å²	130	152.5 Å²	152.5	91%	0.909	80%	0.801	S	S	*	*			trans	-164	162.2	142.4	-115	0	0	0	0	116.2
306	A	36.4	Very low	36.6	Very low	77 Å²	77	152.1 Å²	152.1	64%	0.636	80%	0.804	S	S	*	*			trans	-56.7	172.8	-170	0	0	0	0	0	120.1
307	N	35.2	Very low	36.6	Very low	146 Å²	146	153.6 Å²	153.6	78%	0.781	81%	0.807	S	S	*	*			trans	67.5	104.5	145.9	-68.8	-14.4	0	0	0	120.1
308	Q	40.1	Very low	36.6	Very low	197 Å²	197	153.6 Å²	153.6	92%	0.921	81%	0.807	S	S	*	*				-178	162.4	98.9	-96.2	162.2	21.5	0	0	113.2
309	K	36.3	Very low	36.7	Very low	177 Å²	177	152.2 Å²	152.2	77%	0.77	80%	0.801	S	S	*	*			trans	-116.7	148.7	173.6	-141	-176.9	-173.8	-174.1	0	107.5
310	P	38.3	Very low	36.7	Very low	120 Å²	120	151.9 Å²	151.9	78%	0.779	80%	0.8	S	S	*	*				-131.8	149.6	99.3	35.5	-26	0	0	0	111.6
311	L	32.8	Very low	36.2	Very low	124 Å²	124	154.2 Å²	154.2	65%	0.649	80%	0.8	S	S	*	*			cis	82.1	89.9	37.9	-158.5	158.5	0	0	0	112.6
312	F	36.3	Very low	35.9	Very low	211 Å²	211	153.8 Å²	153.8	93%	0.925	80%	0.802	S	S	*	*			trans	-124.1	131.5	146.8	-96.8	-84.6	0	0	0	106.7
313	N	33.1	Very low	35.5	Very low	114 Å²	114	153.9 Å²	153.9	61%	0.61	80%	0.796	S	S	*	*			trans	-153.9	122.6	-173.6	-155.7	96.4	0	0	0	108	D315	N313-D315 PolarHBondContact ND2-OD2 3.41Å
314	V	42.2	Very low	35.6	Very low	141 Å²	141	153.7 Å²	153.7	86%	0.855	80%	0.795	S	S	*	*			trans	-144.5	107.8	167.7	-176.4	0	0	0	0	107.1
315	D	37.1	Very low	35.7	Very low	112 Å²	112	150.1 Å²	150.1	60%	0.599	79%	0.785	S	S	*	*			trans	-95.9	-179.3	171.7	-63.9	-72.8	0	0	0	110.1	N313	N313-D315 PolarHBondContact ND2-OD2 3.41Å
316	D	39.7	Very low	35.6	Very low	148 Å²	148	150.3 Å²	150.3	79%	0.791	78%	0.777	S	S	*	*			trans	64.6	99.5	160.9	-55.7	-28.4	0	0	0	119.7
317	K	38.2	Very low	35.5	Very low	214 Å²	214	154.8 Å²	154.8	93%	0.93	78%	0.782	S	S	*	*				-176.5	161.1	98	-102.2	165	-174.6	172.9	0	118.1
318	E	37	Very low	35.5	Very low	172 Å²	172	154.6 Å²	154.6	80%	0.804	78%	0.779	S	S	*	*			trans	-74.9	169.7	-175.6	-91.2	-173.9	126.9	0	0	116.4
319	P	35.8	Very low	35.1	Very low	120 Å²	120	149.3 Å²	149.3	78%	0.779	76%	0.764	S	S	*	*			trans	-89.6	164.8	-170.9	37.1	-38.3	0	0	0	115
320	F	34.1	Very low	35	Very low	198 Å²	198	148 Å²	148	87%	0.868	76%	0.76	S	S	*	*			trans	-153.9	136.5	164.7	38.9	-89.6	0	0	0	111.7
321	M	26.9	Very low	34.8	Very low	170 Å²	170	148.3 Å²	148.3	84%	0.837	76%	0.755	S	S	*	*			trans	-87.2	160	165.4	-61.8	-157.3	-48.5	0	0	110.6
322	L	33.7	Very low	34.8	Very low	170 Å²	170	148.5 Å²	148.5	89%	0.89	76%	0.757	S	S	*	*			trans	-161.5	134.7	137.4	-111.8	155.7	0	0	0	112
323	D	29.6	Very low	34.9	Very low	123 Å²	123	143.5 Å²	143.5	66%	0.658	74%	0.74	S	S	*	*			trans	-66.8	162.5	167.9	-88.3	-61.8	0	0	0	112.4
324	I	37.7	Very low	35.3	Very low	167 Å²	167	144.1 Å²	144.1	86%	0.856	74%	0.743	S	S	*	*				-160.4	148.4	123.5	-101.8	152.2	0	0	0	110.8
325	N	33.7	Very low	34.9	Very low	121 Å²	121	144.2 Å²	144.2	65%	0.647	74%	0.739	S	S	*	*			trans	-98	-179.7	-163.1	-89.5	-85.1	0	0	0	114.9
326	N	33.4	Very low	34.7	Very low	135 Å²	135	143.1 Å²	143.1	72%	0.722	75%	0.746	S	S	*	*			trans	82.4	146.3	147.9	-79.4	-33.5	0	0	0	118.9
327	K	35.2	Very low	34.3	Very low	171 Å²	171	142.7 Å²	142.7	74%	0.743	74%	0.739	S	S	*	*			cis	-171.8	-174.4	-16.2	-147.1	-179.8	-171.9	178.6	0	109.9
328	I	33.7	Very low	34.1	Very low	142 Å²	142	140.3 Å²	140.3	73%	0.728	73%	0.733	S	S	*	*			trans	77.9	108	163	-62.6	147.7	0	0	0	112
329	S	31.5	Very low	33.8	Very low	85 Å²	85	139.6 Å²	139.6	59%	0.594	73%	0.728	S	S	*	*				80.2	150	63.7	97.7	0	0	0	0	112.9
330	E	34.6	Very low	33.6	Very low	150 Å²	150	144.1 Å²	144.1	70%	0.701	74%	0.736	S	S	*	*			cis	-163.6	158.6	18.5	-135.4	155.6	-91.4	0	0	111.8
331	N	34.1	Very low	33.4	Very low	126 Å²	126	140.1 Å²	140.1	67%	0.674	73%	0.727	S	S	*	*			trans	61.1	161.2	150.9	-62.1	-22.1	0	0	0	120.1
332	N	34.3	Very low	33.7	Very low	128 Å²	128	136.7 Å²	136.7	68%	0.684	72%	0.72	S	S	*	*			cis	-167.3	-175.2	-41	-115.1	33.2	0	0	0	106.2
333	D	38.3	Very low	33.8	Very low	107 Å²	107	133 Å²	133	57%	0.572	71%	0.709	S	S	*	*			cis	-162.5	178	9.2	-140.3	-45.6	0	0	0	111.6
334	N	40.2	Very low	34.3	Very low	126 Å²	126	134.3 Å²	134.3	67%	0.674	72%	0.716	S	S	*	*			trans	62.9	122.9	159.6	-61.8	-51.9	0	0	0	119.8
335	N	34	Very low	34.1	Very low	143 Å²	143	133.7 Å²	133.7	77%	0.765	71%	0.714	S	S	*	*			cis	76.6	139.4	47.5	-64.9	-31.4	0	0	0	114.4
336	A	33.4	Very low	34.4	Very low	90 Å²	90	134.5 Å²	134.5	74%	0.744	72%	0.723	S	S	*	*			cis	-160.7	-161	-11.6	0	0	0	0	0	107.7
337	E	32.1	Very low	34.2	Very low	138 Å²	138	131 Å²	131	65%	0.645	72%	0.719	S	S	*	*			cis	-163.5	-152.5	10.3	-151.6	-134.3	-109.3	0	0	110.9	F339	E337-F339 HydrophobicContact CG-CD2 4.06Å; E337-F339 HydrophobicContact CG-CE2 4.07Å; E337-F339 WeakPolarHBondContact OE2-CD2 3.39Å
338	M	34	Very low	34	Very low	165 Å²	165	134.5 Å²	134.5	81%	0.813	73%	0.728	S	S	*	*			trans	57.4	96.3	170.1	-58.3	-170.6	-174.6	0	0	118
339	F	29.6	Very low	34.1	Very low	156 Å²	156	136.5 Å²	136.5	68%	0.684	73%	0.734	S	S	*	*			cis	74.7	119	40.9	-66.4	-68.9	0	0	0	118.3	E337 T341	E337-F339 HydrophobicContact CG-CD2 4.06Å; E337-F339 HydrophobicContact CG-CE2 4.07Å; E337-F339 WeakPolarHBondContact OE2-CD2 3.39Å; F339-T341 HydrophobicContact CD1-CG2 4.07Å
340	F	30.8	Very low	34	Very low	216 Å²	216	143 Å²	143	95%	0.947	75%	0.747	S	S	*	*			trans	-134.7	148.9	131.6	-91.4	-80.5	0	0	0	109
341	T	31.6	Very low	34.1	Very low	113 Å²	113	141.9 Å²	141.9	69%	0.693	75%	0.753	S	S	*	*			trans	-131.8	164.9	-167.6	51.1	0	0	0	0	109.6	F339	F339-T341 HydrophobicContact CD1-CG2 4.07Å
342	S	33.5	Very low	34.1	Very low	98 Å²	98	146.2 Å²	146.2	69%	0.685	77%	0.765	S	S	*	*			cis	-164	-173.5	-3.8	42.9	0	0	0	0	108.5
343	S	35.6	Very low	34	Very low	93 Å²	93	143.5 Å²	143.5	65%	0.65	77%	0.768	S	S	*	*			trans	78.2	140.3	148.8	-79.4	0	0	0	0	118.8
344	D	39.4	Very low	33.9	Very low	150 Å²	150	146 Å²	146	80%	0.802	78%	0.78	S	S	*	*			cis	-140.4	164.4	1.4	-81.4	-43.5	0	0	0	112.7
345	D	34.3	Very low	33.4	Very low	155 Å²	155	149.7 Å²	149.7	83%	0.829	79%	0.786	S	S	*	*			trans	-72.1	149.1	-180	-66.6	-72.5	0	0	0	115.6
346	V	38.7	Very low	33.5	Very low	138 Å²	138	151.2 Å²	151.2	84%	0.836	79%	0.788	S	S	*	*				-154.3	126.4	120.9	-179.4	0	0	0	0	108.9
347	G	29.9	Very low	33.4	Very low	62 Å²	62	153.4 Å²	153.4	64%	0.639	79%	0.787	S	S	*	*			trans	-105.8	166.6	177.9	0	0	0	0	0	115.3
348	W	30.8	Very low	33.6	Very low	243 Å²	243	153.5 Å²	153.5	92%	0.92	80%	0.797	S	S	*	*			trans	-143.3	130.2	166.7	-82.6	95.3	0	0	0	111.1
349	H	34.6	Very low	33.5	Very low	184 Å²	184	150.6 Å²	150.6	85%	0.852	79%	0.793	S	S	*	*			trans	-99.8	155.4	175.2	-79.3	-84.2	0	0	0	112.2
350	Y	30.8	Very low	33.8	Very low	223 Å²	223	147.4 Å²	147.4	88%	0.875	79%	0.79	S	S	*	*			trans	-121.5	134	159.6	-83.2	-90.1	0	0	0	109.6
351	P	36.3	Very low	34.1	Very low	126 Å²	126	146.3 Å²	146.3	82%	0.818	79%	0.788	S	S	*	*			trans	-87.6	163.5	-179.2	34.6	-35.1	0	0	0	113.7
352	K	33.8	Very low	34.2	Very low	217 Å²	217	144.9 Å²	144.9	94%	0.943	80%	0.795	S	S	*	*			trans	-116.7	159.1	169.6	-76.2	-176	176.1	-179.5	0	110.6
353	G	32.4	Very low	34.3	Very low	71 Å²	71	143.5 Å²	143.5	73%	0.732	80%	0.796	S	S	*	*			trans	110.8	151.4	169.3	0	0	0	0	0	113.3
354	L	35.4	Very low	34.5	Very low	160 Å²	160	144.5 Å²	144.5	84%	0.838	80%	0.803	S	S	*	*			cis	-153.5	157.5	-1.4	-117.6	154.4	0	0	0	109.6
355	Y	30.2	Very low	34.4	Very low	203 Å²	203	144 Å²	144	80%	0.796	80%	0.801	S	S	*	*			trans	-108.8	128	179.8	-139.9	-86.8	0	0	0	108.6
356	H	36.4	Very low	34.5	Very low	175 Å²	175	143.6 Å²	143.6	81%	0.81	80%	0.797	S	S	*	*			trans	-156.6	128.7	168.8	-89.6	-69.7	0	0	0	111
357	D	30.5	Very low	34.3	Very low	135 Å²	135	143.6 Å²	143.6	72%	0.722	79%	0.792	S	S	*	*			trans	-82	157.1	167.2	-65.1	-73.4	0	0	0	111.8
358	V	36.8	Very low	34.5	Very low	140 Å²	140	145.2 Å²	145.2	85%	0.848	79%	0.793	S	S	*	*				172.9	114.9	122.6	154.6	0	0	0	0	112
359	S	33	Very low	34.8	Very low	104 Å²	104	142.2 Å²	142.2	73%	0.727	79%	0.79	S	S	*	*			trans	29.3	129.3	141.5	-148.2	0	0	0	0	124.1
360	S	34.8	Very low	34.9	Very low	89 Å²	89	138.8 Å²	138.8	62%	0.622	79%	0.786	S	S	*	*			trans	93.5	116.8	132.2	-72.4	0	0	0	0	124.7
361	Q	37.1	Very low	35.1	Very low	194 Å²	194	136 Å²	136	91%	0.907	79%	0.786	S	S	*	*			trans	74.6	124.1	131.8	-63.2	179.5	5.8	0	0	123.2
362	G	34	Very low	35.2	Very low	82 Å²	82	136 Å²	136	85%	0.845	79%	0.785	S	S	*	*			trans	136.4	110.9	133.2	0	0	0	0	0	120.2
363	G	35.2	Very low	35.2	Very low	69 Å²	69	136.1 Å²	136.1	71%	0.711	78%	0.78	S	S	*	*			trans	81.2	134.1	161.4	0	0	0	0	0	117.1
364	S	39.1	Very low	35.4	Very low	114 Å²	114	142.8 Å²	142.8	80%	0.797	79%	0.789	S	S	*	*			cis	73.4	129	49.4	76	0	0	0	0	113.4
365	D	38.1	Very low	35.3	Very low	140 Å²	140	142.5 Å²	142.5	75%	0.749	78%	0.783	S	S	*	*			cis	-168.5	171.9	11.5	-133.9	-31.4	0	0	0	112.3
366	I	36.8	Very low	35.4	Very low	146 Å²	146	140.1 Å²	140.1	75%	0.749	78%	0.783	S	S	*	*			trans	66.9	144.3	150.8	-76	165.1	0	0	0	118.8
367	L	34.8	Very low	35.1	Very low	139 Å²	139	142.5 Å²	142.5	73%	0.728	79%	0.786	S	S	*	*			cis	-169.6	129.6	-8.6	170.1	78	0	0	0	113.3
368	S	33.4	Very low	35.4	Very low	96 Å²	96	146.6 Å²	146.6	67%	0.671	79%	0.792	S	S	*	*			trans	34.4	162.3	146.6	-50.9	0	0	0	0	127.2
369	Q	36.9	Very low	35.5	Very low	180 Å²	180	145.1 Å²	145.1	84%	0.841	79%	0.785	S	S	*	*			trans	91.8	140.6	161.7	-52.2	179.5	39.8	0	0	117.6
370	S	36.1	Very low	35.5	Very low	112 Å²	112	146.5 Å²	146.5	78%	0.783	78%	0.784	S	S	*	*			cis	-164.7	158.1	-20.6	52.6	0	0	0	0	112.5
371	L	36.5	Very low	35.6	Very low	164 Å²	164	150.4 Å²	150.4	86%	0.859	79%	0.792	S	S	*	*			trans	-73.1	178.3	176.1	-75.2	169.3	0	0	0	113.2
372	P	37.4	Very low	35.6	Very low	125 Å²	125	149.2 Å²	149.2	81%	0.812	79%	0.787	S	S	*	*			cis	-148.8	-171.2	23.7	44.4	-21.9	0	0	0	120
373	R	33.7	Very low	35.8	Very low	220 Å²	220	152.2 Å²	152.2	83%	0.83	78%	0.778	S	S	*	*			trans	-63.8	165.6	179.1	-67.4	173.1	166.8	154.3	-5.3	117
374	K	36.2	Very low	35.8	Very low	212 Å²	212	156.2 Å²	156.2	92%	0.922	78%	0.778	S	S	*	*			trans	-148.4	166.1	138.3	-109.6	165.2	-173	174.7	0	112.6
375	H	34.9	Very low	35.8	Very low	154 Å²	154	158.7 Å²	158.7	71%	0.713	78%	0.777	S	S	*	*			trans	-109.6	162.5	-171.6	-67.4	-129.3	0	0	0	112.5
376	L	30.9	Very low	35.6	Very low	152 Å²	152	157.3 Å²	157.3	80%	0.796	78%	0.778	S	S	*	*				155.6	133.6	118	-80.7	166.8	0	0	0	116
377	Y	30.8	Very low	35.6	Very low	225 Å²	225	157.8 Å²	157.8	88%	0.882	78%	0.78	S	S	*	*			trans	63.6	164.6	144.4	-93.3	-109.3	0	0	0	124.7
378	R	37.1	Very low	35.6	Very low	222 Å²	222	158.3 Å²	158.3	84%	0.838	78%	0.783	S	S	*	*			trans	-151.7	155	-178.8	-156	-166.6	-175.1	153.5	3.5	107.6
379	P	38.2	Very low	35.8	Very low	108 Å²	108	158.6 Å²	158.6	70%	0.701	79%	0.785	S	S	*	*				-160.2	175.3	98.5	42.6	-22	0	0	0	118.4
380	D	34.3	Very low	35.7	Very low	133 Å²	133	159.5 Å²	159.5	71%	0.711	78%	0.781	S	S	*	*			trans	68.6	120.9	140.7	-62.4	-12.1	0	0	0	129.8
381	H	35.9	Very low	35.7	Very low	171 Å²	171	161.3 Å²	161.3	79%	0.792	78%	0.779	S	S	*	*				56	119	128.9	-77.1	-69.5	0	0	0	127.4
382	H	37.7	Very low	35.8	Very low	170 Å²	170	161.3 Å²	161.3	79%	0.787	77%	0.772	S	S	*	*			trans	-166.8	163	138.8	-110.3	53.4	0	0	0	110.2
383	H	38	Very low	36.2	Very low	144 Å²	144	160.6 Å²	160.6	67%	0.667	77%	0.767	S	S	*	*			cis	-140.9	-117.8	-9.9	-165.7	71	0	0	0	112.7
384	H	35.9	Very low	36.5	Very low	154 Å²	154	159.2 Å²	159.2	71%	0.713	76%	0.763	S	S	*	*			trans	-163	144	-153.9	-136.4	-119.3	0	0	0	116.3
385	H	38.4	Very low	36.5	Very low	166 Å²	166	157.9 Å²	157.9	77%	0.769	76%	0.761	S	S	*	*			trans	174	170.6	132.4	-109.4	-97.2	0	0	0	115
386	S	33.3	Very low	36.7	Very low	111 Å²	111	157 Å²	157	78%	0.776	77%	0.766	S	S	*	*			trans	-165.3	165.7	-170.3	-74.8	0	0	0	0	115.6
387	I	37.6	Very low	36.9	Very low	155 Å²	155	154.9 Å²	154.9	80%	0.795	77%	0.77	S	S	*	*			trans	-174.7	115.3	154.4	-98	149.8	0	0	0	109.3
388	L	35.2	Very low	37.2	Very low	151 Å²	151	147.8 Å²	147.8	79%	0.791	77%	0.765	S	S	*	*				61.9	147.4	100	-55.6	178.2	0	0	0	115.9
389	S	36.1	Very low	37	Very low	102 Å²	102	145.3 Å²	145.3	71%	0.713	77%	0.768	S	S	*	*			cis	-174.9	174.9	-6.9	-98.8	0	0	0	0	110.3
390	R	35.6	Very low	36.7	Very low	198 Å²	198	151.2 Å²	151.2	75%	0.747	78%	0.778	S	S	*	*			cis	177.2	145.6	-32	-172.8	-154	160.1	-175.9	-9.2	112
391	M	36.8	Very low	36.8	Very low	151 Å²	151	156 Å²	156	74%	0.744	79%	0.786	S	S	*	*			trans	82.6	170.1	167.5	-41.4	-171.7	-67.2	0	0	117.5
392	K	38.5	Very low	36.8	Very low	164 Å²	164	153.4 Å²	153.4	71%	0.713	78%	0.784	S	S	*	*			cis	-153.3	145.7	1.2	-166.4	-153.7	174.8	-170.8	0	112.4
393	P	45.6	Very low	36.7	Very low	110 Å²	110	156.9 Å²	156.9	71%	0.714	79%	0.791	S	S	*	*			trans	-126.7	-174.5	171.6	42.6	-29.9	0	0	0	116.1
394	Y	38.9	Very low	36.5	Very low	190 Å²	190	154.3 Å²	154.3	75%	0.745	79%	0.789	S	S	*	*			trans	-151.5	129.8	173.3	4.7	-93.3	0	0	0	110.4
395	E	37.1	Very low	36.6	Very low	185 Å²	185	157 Å²	157	86%	0.864	80%	0.799	S	S	*	*				78.2	149.7	101.1	-85.4	-177.7	179.6	0	0	116.1
396	T	39.1	Very low	36.3	Very low	136 Å²	136	156.2 Å²	156.2	83%	0.834	80%	0.8	S	S	*	*			cis	-130.3	-158.4	8.6	53.9	0	0	0	0	113.2
397	A	33.8	Very low	36.3	Very low	106 Å²	106	155.4 Å²	155.4	88%	0.876	80%	0.8	S	S	*	*			trans	-145	171.1	-169.4	0	0	0	0	0	115.4
398	G	39.1	Very low	36	Very low	76 Å²	76	157.5 Å²	157.5	78%	0.784	80%	0.804	S	S	*	*			trans	-152.8	154.3	174	0	0	0	0	0	112.9
399	L	31.1	Very low	35.6	Very low	171 Å²	171	157.7 Å²	157.7	90%	0.895	80%	0.798	S	S	*	*			trans	-147.6	141.7	-162	-155.4	97.7	0	0	0	113.3
400	Y	32.6	Very low	35.5	Very low	232 Å²	232	158.7 Å²	158.7	91%	0.91	80%	0.8	S	S	*	*			trans	-162.3	141.7	157.4	-122.9	-79.5	0	0	0	113.1
401	R	37.5	Very low	35.3	Very low	234 Å²	234	154.4 Å²	154.4	88%	0.883	79%	0.792	S	S	*	*			trans	-164.4	134.1	171.9	-147.7	-172.9	-161	-153.4	7.4	114.7
402	P	35.4	Very low	34.9	Very low	115 Å²	115	157.9 Å²	157.9	75%	0.747	80%	0.798	S	S	*	*			trans	-125	164.5	153.3	35.4	-22.4	0	0	0	111.7
403	R	34.8	Very low	34.7	Very low	244 Å²	244	155.9 Å²	155.9	92%	0.921	80%	0.802	S	S	*	*			cis	-145.1	-129.6	-26.4	-158.5	175	-170.8	157.8	3.5	107.4
404	S	34.6	Very low	34	Very low	90 Å²	90	160 Å²	160	63%	0.629	81%	0.812	S	S	*	*			trans	-165	161.7	176.9	56.8	0	0	0	0	112.7
405	F	36.9	Very low	33.8	Very low	211 Å²	211	156.4 Å²	156.4	93%	0.925	81%	0.814	S	S	*	*			trans	-149.2	156.9	156	-101.7	-77.4	0	0	0	110.7
406	N	32	Very low	33.3	Very low	149 Å²	149	152.8 Å²	152.8	80%	0.797	81%	0.809	S	S	*	*			trans	-128.2	146.8	-166.3	-57.4	-29.7	0	0	0	112.7
407	A	33.8	Very low	33.1	Very low	94 Å²	94	155.6 Å²	155.6	78%	0.777	81%	0.813	S	S	*	*			trans	169.5	151.2	152.9	0	0	0	0	0	108.5
408	F	30.7	Very low	32.9	Very low	199 Å²	199	161.1 Å²	161.1	87%	0.873	81%	0.811	S	S	*	*			cis	-155	154.5	-21.4	-139.2	-97.6	0	0	0	105.6
409	K	28.4	Very low	32.6	Very low	154 Å²	154	165.3 Å²	165.3	67%	0.67	82%	0.815	S	S	*	*			trans	-141.9	148	174.9	-158.3	-167.5	174.1	-143	0	111.5	D411	K409-D411 WeakPolarHBondContact CE-OD1 3.5Å; K409-D411 IonicContact NZ-OD1 2.72Å; K409-D411 PolarHBondContact NZ-OD1 2.94Å; K409-D411 IonicContact NZ-OD2 2.64Å; K409-D411 PolarHBondContact NZ-OD2 3.07Å
410	V	32.7	Very low	32.5	Very low	124 Å²	124	165.7 Å²	165.7	75%	0.752	81%	0.813	S	S	*	*			trans	-125.4	140.9	173.2	-178.6	0	0	0	0	108
411	D	31.2	Very low	32.6	Very low	107 Å²	107	162.2 Å²	162.2	57%	0.572	81%	0.809	S	S	*	*			trans	-139.2	142.1	-176.4	-80.3	-60.2	0	0	0	110.3	K409	K409-D411 WeakPolarHBondContact CE-OD1 3.5Å; K409-D411 IonicContact NZ-OD1 2.72Å; K409-D411 PolarHBondContact NZ-OD1 2.94Å; K409-D411 IonicContact NZ-OD2 2.64Å; K409-D411 PolarHBondContact NZ-OD2 3.07Å
412	Y	29.7	Very low	32.5	Very low	225 Å²	225	155.6 Å²	155.6	88%	0.882	80%	0.799	S	S	*	*			trans	-156.6	164.1	168.6	-96.8	-55	0	0	0	109.8
413	P	33.4	Very low	32.1	Very low	121 Å²	121	159.9 Å²	159.9	79%	0.786	81%	0.806	S	S	*	*				-122	-176.1	-116.6	42.5	-30.3	0	0	0	116.8
414	Q	31.3	Very low	32.1	Very low	198 Å²	198	154.9 Å²	154.9	93%	0.925	80%	0.796	S	S	*	*			trans	-78.6	149.4	-170.2	-57.1	174.2	-60.2	0	0	116.4
415	S	34.2	Very low	32.2	Very low	113 Å²	113	156 Å²	156	79%	0.79	80%	0.801	S	S	*	*			trans	-144.3	141.4	134.1	57.4	0	0	0	0	107.5
416	S	27.8	Very low	31.9	Very low	109 Å²	109	156.3 Å²	156.3	76%	0.762	80%	0.797	S	S	*	*			cis	90.9	79.7	30.4	-177.8	0	0	0	0	115
417	Q	34.8	Very low	31.9	Very low	195 Å²	195	158 Å²	158	91%	0.911	80%	0.8	S	S	*	*				-165.2	161.8	121.8	-106.6	170.5	12.1	0	0	112.4
418	R	28.3	Very low	32	Very low	222 Å²	222	162.4 Å²	162.4	84%	0.838	81%	0.805	S	S	*	*			trans	-91.1	156.3	170	-63.4	179.3	-178.9	170.8	-1.3	109.7
419	N	33.9	Very low	32.1	Very low	164 Å²	164	157.8 Å²	157.8	88%	0.877	80%	0.797	S	S	*	*				-157.1	137.3	121.9	-95.7	-22.7	0	0	0	110.3
420	E	29.5	Very low	32.4	Very low	179 Å²	179	158.9 Å²	158.9	84%	0.836	81%	0.81	S	S	*	*			trans	-85.5	141	164.1	-63.4	169.3	100.1	0	0	108.3
421	L	33.7	Very low	32.6	Very low	160 Å²	160	159.2 Å²	159.2	84%	0.838	81%	0.813	S	S	*	*			trans	-161.6	114.8	156.3	-111.5	161.3	0	0	0	112.5
422	S	34.6	Very low	32.6	Very low	95 Å²	95	162.9 Å²	162.9	66%	0.664	82%	0.824	S	S	*	*			trans	39.9	116.2	151.1	57.4	0	0	0	0	121.1
423	F	28.4	Very low	32.9	Very low	204 Å²	204	159.8 Å²	159.8	90%	0.895	82%	0.819	S	S	*	*			trans	-61.2	145	158.1	-78	-113.1	0	0	0	112.5
424	I	33.8	Very low	32.8	Very low	140 Å²	140	163.9 Å²	163.9	72%	0.718	83%	0.828	S	S	*	*			trans	-138.9	108.6	155.7	-55.3	178.2	0	0	0	109
425	P	36.9	Very low	32.8	Very low	113 Å²	113	157.7 Å²	157.7	73%	0.734	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-88.3	123.6	167.3	32.4	-28.7	0	0	0	110.4
426	Y	31.3	Very low	32.8	Very low	217 Å²	217	158.1 Å²	158.1	85%	0.851	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-73.5	133.1	173.6	-94.9	-97.4	0	0	0	111.3
427	Q	32.5	Very low	33	Very low	184 Å²	184	161.4 Å²	161.4	86%	0.86	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-82.3	138.7	165.4	-67.6	-179.2	-53.5	0	0	110.1
428	H	35.3	Very low	33	Very low	188 Å²	188	160.6 Å²	160.6	87%	0.87	82%	0.819	S	S	*	*			trans	-125.7	123.8	154.8	-99.6	26.4	0	0	0	109.3
429	S	33.3	Very low	33.2	Very low	101 Å²	101	156.7 Å²	156.7	71%	0.706	82%	0.815	S	S	*	*			trans	-86.5	131	-177.1	50.7	0	0	0	0	111.1
430	N	34.9	Very low	33.3	Very low	178 Å²	178	157.3 Å²	157.3	95%	0.952	81%	0.813	S	S	*	*			trans	-127.3	101.9	151.4	-94.1	-28.9	0	0	0	108.1
431	T	35.9	Very low	33.7	Very low	130 Å²	130	154 Å²	154	80%	0.798	81%	0.807	S	S	*	*			trans	-86.4	117.9	177.2	26.9	0	0	0	0	110.8
432	F	30.9	Very low	33.7	Very low	185 Å²	185	152.1 Å²	152.1	81%	0.811	80%	0.804	S	S	*	*			trans	-154.9	121.6	143.8	-139.2	-112.4	0	0	0	113.5
433	M	36.8	Very low	33.4	Very low	159 Å²	159	157.3 Å²	157.3	78%	0.783	82%	0.815	S	S	*	*			trans	60.7	147.7	167.4	-60.6	-57.4	173.7	0	0	119.7
434	H	31.3	Very low	33.6	Very low	207 Å²	207	156.5 Å²	156.5	96%	0.958	81%	0.811	S	S	*	*			trans	-134.6	146.8	-160.3	-136.9	-78.6	0	0	0	110.6
435	G	30.9	Very low	33.3	Very low	69 Å²	69	158.4 Å²	158.4	71%	0.711	82%	0.817	S	S	*	*			trans	128.8	139.1	160.9	0	0	0	0	0	114.5
436	S	33.7	Very low	33	Very low	121 Å²	121	162.7 Å²	162.7	85%	0.846	82%	0.82	S	S	*	*			cis	-159.7	144.7	-17.6	-169	0	0	0	0	108.2
437	H	32.7	Very low	33	Very low	178 Å²	178	159 Å²	159	82%	0.824	82%	0.815	S	S	*	*			trans	-75.3	141.4	174.9	-98.1	-99.1	0	0	0	112
438	Q	34.2	Very low	32.8	Very low	178 Å²	178	162 Å²	162	83%	0.832	82%	0.819	S	S	*	*			trans	-140.1	109.9	147	-74.7	-171.5	-25	0	0	105.1
439	D	33.1	Very low	32.5	Very low	140 Å²	140	160.2 Å²	160.2	75%	0.749	82%	0.816	S	S	*	*				94.2	79.2	80	-74.5	-38.5	0	0	0	111.3
440	E	35.1	Very low	32.5	Very low	178 Å²	178	167.3 Å²	167.3	83%	0.832	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-92	123.3	169.9	-170.9	-175.7	-172.7	0	0	109.9
441	P	38.4	Very low	32.3	Very low	109 Å²	109	168.5 Å²	168.5	71%	0.708	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-77.6	154.6	180	31.4	-34.7	0	0	0	112.6
442	P	33.5	Very low	32	Very low	121 Å²	121	171.7 Å²	171.7	79%	0.786	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-71.4	146.5	-168.1	28.2	-36	0	0	0	114.6	F444	P442-F444 PolarHBondContact O-N 3.43Å
443	F	29.3	Very low	32	Very low	204 Å²	204	171.7 Å²	171.7	90%	0.895	83%	0.832	S	S	*	*			trans	-44.9	117.1	176.2	-105.5	-110.3	0	0	0	113.8	Q445	F443-Q445 PolarHBondContact O-N 3.38Å
444	F	31.2	Very low	31.8	Very low	186 Å²	186	169.6 Å²	169.6	82%	0.816	83%	0.832	S	S	*	*			trans	-77.3	115.7	168.2	-107.1	-90.5	0	0	0	111.1	P442 Y446	P442-F444 PolarHBondContact O-N 3.43Å; F444-Y446 PolarHBondContact O-N 3.15Å
445	Q	29.2	Very low	32.3	Very low	180 Å²	180	167.5 Å²	167.5	84%	0.841	82%	0.823	S	S	*	*			trans	-75.7	107.2	176.3	179.4	178.5	-30	0	0	110.5	F443	F443-Q445 PolarHBondContact O-N 3.38Å
446	Y	30	Very low	32.4	Very low	203 Å²	203	171.9 Å²	171.9	80%	0.796	83%	0.827	S	S	*	*			trans	-115.3	150.7	172.5	-111.3	-96.6	0	0	0	113.4	F444	F444-Y446 PolarHBondContact O-N 3.15Å
447	N	30.4	Very low	33	Very low	139 Å²	139	170.9 Å²	170.9	74%	0.743	81%	0.811	S	S	*	*			trans	-75.4	141.1	-159.5	-71.7	-54.2	0	0	0	114.8	D449	N447-D449 PolarHBondContact O-N 2.81Å; N447-D449 VanDerWaalsContact O-N 3.1Å
448	R	28.7	Very low	34	Very low	247 Å²	247	165.5 Å²	165.5	93%	0.932	79%	0.788	S	S	*	*			trans	-72.8	91.3	161.1	-78	-175.8	171.8	-171.4	-2.9	110
449	D	28.8	Very low	35	Very low	151 Å²	151	159.4 Å²	159.4	81%	0.807	76%	0.761	S	S	*	*			trans	-154.1	95.5	159.3	-104.4	-42.4	0	0	0	111.3	N447	N447-D449 PolarHBondContact O-N 2.81Å; N447-D449 VanDerWaalsContact O-N 3.1Å
450	R	32.6	Very low	36.1	Very low	251 Å²	251	152.9 Å²	152.9	95%	0.947	73%	0.726	S	S	*	*			trans	-150.8	135.8	156.6	-109	170.1	-160.7	-146.1	1.8	109.8
451	K	31.5	Very low	37.3	Very low	202 Å²	202	146.3 Å²	146.3	88%	0.878	70%	0.698	S	S	*	*			trans	-73.2	164.7	-174.3	-64.6	173.3	179.6	174	0	111.2	Q453	K451-Q453 PolarHBondContact O-N 3.3Å
452	H	29.5	Very low	38.1	Very low	198 Å²	198	144.3 Å²	144.3	92%	0.917	68%	0.684	S	S	*	*			trans	-49.5	126.9	163.5	-75.4	-75.9	0	0	0	110.6
453	Q	30.5	Very low	39.1	Very low	185 Å²	185	139.6 Å²	139.6	86%	0.864	65%	0.652	S	S	*	*			trans	-113.6	111.8	164.6	-173	167.8	1.8	0	0	105.8	K451 E455	K451-Q453 PolarHBondContact O-N 3.3Å; Q453-E455 PolarHBondContact O-N 3.07Å
454	S	34.3	Very low	40	Very low	114 Å²	114	134.8 Å²	134.8	80%	0.797	63%	0.632	S	S	*	*			trans	-64.9	124.4	-175.6	-53.9	0	0	0	0	110.2	M456	S454-M456 PolarHBondContact O-N 3.41Å; S454-M456 VanDerWaalsContact O-N 3.16Å
455	E	40.4	Very low	40.7	Very low	164 Å²	164	131.8 Å²	131.8	77%	0.766	63%	0.625	S	S	*	*			trans	-64.9	114.8	176.1	-69	-175.2	129.9	0	0	109.5	Q453 I457	Q453-E455 PolarHBondContact O-N 3.07Å; E455-I457 PolarHBondContact O-N 2.71Å
456	M	34.4	Very low	41.6	Very low	160 Å²	160	127.9 Å²	127.9	79%	0.788	61%	0.608	S	S	*	*			trans	-79.7	118.4	178.1	-174.6	-179.5	-69.3	0	0	109.5	S454 I458	S454-M456 PolarHBondContact O-N 3.41Å; S454-M456 VanDerWaalsContact O-N 3.16Å; M456-I458 HydrophobicContact CG-CG1 4.09Å; M456-I458 PolarHBondContact O-N 3.37Å; M456-I458 VanDerWaalsContact O-N 3.13Å; M456-I458 HydrophobicContact SD-CG1 4.17Å
457	I	44.9	Very low	42.4	Very low	101 Å²	101	121.9 Å²	121.9	52%	0.518	59%	0.589	S	S	.	*			trans	-73	102.7	167.8	-58.4	176	0	0	0	107	E455	E455-I457 PolarHBondContact O-N 2.71Å
458	I	54.2	Low	42.8	Very low	65 Å²	65	122.6 Å²	122.6	33%	0.333	59%	0.586	S	S	.	*			trans	-87.1	120	172.9	-59.4	177.6	0	0	0	107.7	M456 V462	M456-I458 HydrophobicContact CG-CG1 4.09Å; M456-I458 PolarHBondContact O-N 3.37Å; M456-I458 VanDerWaalsContact O-N 3.13Å; M456-I458 HydrophobicContact SD-CG1 4.17Å; I458-V462 HydrophobicContact CG2-CB 3.8Å; I458-V462 HydrophobicContact CG2-CG1 4.03Å; I458-V462 HydrophobicContact CG2-CG2 4.08Å
459	D	54.5	Low	43.5	Very low	50 Å²	50	115.7 Å²	115.7	27%	0.267	57%	0.566	S	S	.	*			trans	-64.1	135.8	178.4	-171	-76.5	0	0	0	111	Y114 T461 V462	Y114-D459 PolarHBondContact OH-OD1 3.18Å; Y114-D459 VanDerWaalsContact OH-OD1 3.08Å; Y114-D459 PolarHBondContact OH-OD2 3.34Å; D459-T461 PolarHBondContact O-N 3.31Å; D459-T461 VanDerWaalsContact OD1-CB 3.32Å; D459-T461 WeakPolarHBondContact OD1-CB 3.25Å; D459-T461 WeakPolarHBondContact OD1-CG2 3.26Å; D459-T461 PolarHBondContact OD1-N 3.17Å; D459-T461 PolarHBondContact OD1-OG1 3.39Å; D459-V462 HydrophobicContact CB-CG2 4.39Å; D459-V462 WeakPolarHBondContact O-CB 2.98Å; D459-V462 WeakPolarHBondContact O-CG2 3.43Å; D459-V462 PolarHBondContact O-N 3.03Å
460	P	57.1	Low	44	Very low	2 Å²	2	113 Å²	113	1%	0.013	55%	0.552	C	S	.	*	G	3₁₀ helix	trans	-55.8	-22.4	179.4	-28.4	36	0	0	0	115.3	I47 T50 F96 V462 L463	I47-P460 HydrophobicContact CD1-CG 3.96Å; I47-P460 HydrophobicContact CG1-CG 4.23Å; T50-P460 HydrophobicContact CG2-CB 4.48Å; T50-P460 HydrophobicContact CG2-CG 4.18Å; F96-P460 HydrophobicContact CD1-CB 3.65Å; F96-P460 HydrophobicContact CD2-CB 4.22Å; F96-P460 HydrophobicContact CE1-CB 3.61Å; F96-P460 HydrophobicContact CE2-CB 4.19Å; F96-P460 HydrophobicContact CG-CB 3.96Å; F96-P460 HydrophobicContact CZ-CB 3.89Å; P460-V462 PolarHBondContact O-N 3.36Å; P460-L463 PolarHBondContact O-N 3.33Å
461	T	59.1	Low	44.3	Very low	41 Å²	41	108.6 Å²	108.6	25%	0.252	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-61.5	-27.6	171.9	55.4	0	0	0	0	113.2	T92 F96 D459 L463 E464	T92-T461 HydrophobicContact CG2-CG2 4.45Å; F96-T461 HydrophobicContact CZ-CG2 3.92Å; D459-T461 PolarHBondContact O-N 3.31Å; D459-T461 VanDerWaalsContact OD1-CB 3.32Å; D459-T461 WeakPolarHBondContact OD1-CB 3.25Å; D459-T461 WeakPolarHBondContact OD1-CG2 3.26Å; D459-T461 PolarHBondContact OD1-N 3.17Å; D459-T461 PolarHBondContact OD1-OG1 3.39Å; T461-L463 PolarHBondContact O-N 3.32Å; T461-E464 PolarHBondContact O-N 3.27Å
462	V	56.3	Low	44.5	Very low	66 Å²	66	103.8 Å²	103.8	40%	0.4	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-66.1	-19.2	-179.4	-177.1	0	0	0	0	112.5	I458 D459 P460 E464 N465	I458-V462 HydrophobicContact CG2-CB 3.8Å; I458-V462 HydrophobicContact CG2-CG1 4.03Å; I458-V462 HydrophobicContact CG2-CG2 4.08Å; D459-V462 HydrophobicContact CB-CG2 4.39Å; D459-V462 WeakPolarHBondContact O-CB 2.98Å; D459-V462 WeakPolarHBondContact O-CG2 3.43Å; D459-V462 PolarHBondContact O-N 3.03Å; P460-V462 PolarHBondContact O-N 3.36Å; V462-E464 PolarHBondContact O-N 3.14Å; V462-N465 PolarHBondContact O-N 2.98Å
463	L	55	Low	44.7	Very low	23 Å²	23	98.1 Å²	98.1	12%	0.12	51%	0.506	C	S	.	.	H	α-helix	trans	-64.6	-22.6	175.5	-96.4	70.2	0	0	0	113.6	F60 P460 T461 N465 M466 D467	F60-L463 HydrophobicContact CB-CD2 4.18Å; F60-L463 HydrophobicContact CD1-CD2 3.78Å; F60-L463 HydrophobicContact CD2-CD2 4.36Å; F60-L463 HydrophobicContact CE1-CD2 4.21Å; F60-L463 HydrophobicContact CG-CD2 3.85Å; P460-L463 PolarHBondContact O-N 3.33Å; T461-L463 PolarHBondContact O-N 3.32Å; L463-N465 PolarHBondContact O-N 3.07Å; L463-N465 VanDerWaalsContact O-N 3.08Å; L463-M466 PolarHBondContact O-N 3.28Å; L463-D467 PolarHBondContact O-N 3.47Å; L463-D467 VanDerWaalsContact O-N 3.09Å
464	E	48.3	Very low	45.1	Very low	102 Å²	102	97.5 Å²	97.5	48%	0.477	50%	0.503	S	S	.	.	H	α-helix	trans	-59.7	-24.9	-179	-71.2	175.1	124.3	0	0	113.1	K63 T461 V462	K63-E464 HydrophobicContact CD-CG 4.09Å; K63-E464 VanDerWaalsContact CD-OE1 3.27Å; K63-E464 WeakPolarHBondContact CD-OE1 3.46Å; K63-E464 IonicContact NZ-OE1 3.67Å; K63-E464 PolarHBondContact NZ-OE1 2.04Å; K63-E464 IonicContact NZ-OE2 3.46Å; K63-E464 PolarHBondContact NZ-OE2 3.29Å; T461-E464 PolarHBondContact O-N 3.27Å; V462-E464 PolarHBondContact O-N 3.14Å
465	N	46.2	Very low	45.2	Very low	124 Å²	124	95.7 Å²	95.7	66%	0.663	49%	0.487	S	S	*	.	H	α-helix	trans	-92	-19.3	173.9	-66.8	-22.2	0	0	0	113.4	V462 L463	V462-N465 PolarHBondContact O-N 2.98Å; L463-N465 PolarHBondContact O-N 3.07Å; L463-N465 VanDerWaalsContact O-N 3.08Å
466	M	46.6	Very low	44.8	Very low	98 Å²	98	92.1 Å²	92.1	48%	0.483	48%	0.48	S	S	.	.	H	α-helix	trans	-82.1	-34	179.6	-69.6	-67.2	177.9	0	0	112.3	L463 F468 I469 N470	L463-M466 PolarHBondContact O-N 3.28Å; M466-F468 PolarHBondContact O-N 2.99Å; M466-I469 PolarHBondContact O-N 3.15Å; M466-I469 HydrophobicContact SD-CD1 4.3Å; M466-N470 PolarHBondContact O-N 3.38Å; M466-N470 PolarHBondContact O-ND2 3.07Å
467	D	46.4	Very low	44.7	Very low	76 Å²	76	92.8 Å²	92.8	41%	0.406	49%	0.487	S	S	.	.	H	α-helix	trans	-63.9	-30.3	175.5	-74.2	-18.1	0	0	0	111.9	L463 K471	L463-D467 PolarHBondContact O-N 3.47Å; L463-D467 VanDerWaalsContact O-N 3.09Å; D467-K471 VanDerWaalsContact O-CB 3.23Å; D467-K471 WeakPolarHBondContact O-CB 3.18Å; D467-K471 PolarHBondContact O-N 3.09Å
468	F	40.6	Very low	44.3	Very low	155 Å²	155	93 Å²	93	68%	0.68	49%	0.494	S	S	*	.	H	α-helix	trans	-64	-39.8	170.2	-119.4	-83.1	0	0	0	112.2	M466 L472	M466-F468 PolarHBondContact O-N 2.99Å; F468-L472 WeakPolarHBondContact O-CB 3.04Å; F468-L472 WeakPolarHBondContact O-CD1 3.35Å; F468-L472 VanDerWaalsContact O-CG 3.26Å; F468-L472 WeakPolarHBondContact O-CG 2.84Å; F468-L472 PolarHBondContact O-N 3.44Å
469	I	42.9	Very low	43.3	Very low	101 Å²	101	98 Å²	98	52%	0.518	52%	0.52	S	S	.	.	H	α-helix	trans	-73	-38.2	-179.9	-64.3	172.3	0	0	0	111.1	M466 L472 S473	M466-I469 PolarHBondContact O-N 3.15Å; M466-I469 HydrophobicContact SD-CD1 4.3Å; I469-L472 WeakPolarHBondContact O-CB 3.38Å; I469-L472 PolarHBondContact O-N 3.16Å; I469-S473 PolarHBondContact O-N 3.08Å
470	N	37.8	Very low	42.3	Very low	94 Å²	94	105.6 Å²	105.6	50%	0.503	55%	0.551	S	S	.	*	H	α-helix	trans	-69.7	-38	175.2	-69.4	-33.3	0	0	0	111.9	M466 L472 S473 E474	M466-N470 PolarHBondContact O-N 3.38Å; M466-N470 PolarHBondContact O-ND2 3.07Å; N470-L472 VanDerWaalsContact C-N 3.31Å; N470-L472 PolarHBondContact O-N 3.24Å; N470-S473 WeakPolarHBondContact O-CB 3.29Å; N470-S473 PolarHBondContact O-N 3.26Å; N470-S473 PolarHBondContact O-OG 3.3Å; N470-E474 PolarHBondContact O-N 3.07Å
471	K	39	Very low	41.3	Very low	159 Å²	159	113.9 Å²	113.9	69%	0.691	59%	0.586	S	S	*	*	H	α-helix	trans	-71.7	-25.3	174.7	-151	166.7	-166.4	171.8	0	113.1	D467 T475	D467-K471 VanDerWaalsContact O-CB 3.23Å; D467-K471 WeakPolarHBondContact O-CB 3.18Å; D467-K471 PolarHBondContact O-N 3.09Å; K471-T475 PolarHBondContact O-OG1 2.99Å
472	L	36.2	Very low	39.9	Very low	102 Å²	102	121.9 Å²	121.9	53%	0.534	61%	0.613	S	S	.	*	H	α-helix	trans	-70.5	-35.4	164.4	-78	165.5	0	0	0	112.1	F468 I469 N470 E474 T475 S476	F468-L472 WeakPolarHBondContact O-CB 3.04Å; F468-L472 WeakPolarHBondContact O-CD1 3.35Å; F468-L472 VanDerWaalsContact O-CG 3.26Å; F468-L472 WeakPolarHBondContact O-CG 2.84Å; F468-L472 PolarHBondContact O-N 3.44Å; I469-L472 WeakPolarHBondContact O-CB 3.38Å; I469-L472 PolarHBondContact O-N 3.16Å; N470-L472 VanDerWaalsContact C-N 3.31Å; N470-L472 PolarHBondContact O-N 3.24Å; L472-E474 VanDerWaalsContact C-N 3.33Å; L472-E474 PolarHBondContact O-N 3.03Å; L472-T475 WeakPolarHBondContact CA-OG1 3.4Å; L472-T475 CarbonylContact O-C 3.52Å; L472-T475 PolarHBondContact O-N 3.38Å; L472-T475 VanDerWaalsContact O-N 3.08Å; L472-T475 PolarHBondContact O-OG1 3.35Å; L472-S476 WeakPolarHBondContact O-CB 3.15Å; L472-S476 PolarHBondContact O-N 3.45Å
473	S	34.8	Very low	38.8	Very low	78 Å²	78	124.2 Å²	124.2	55%	0.545	63%	0.63	S	S	.	*	H	α-helix	trans	-65.9	-32.3	179.3	78.4	0	0	0	0	113.6	I469 N470 T475	I469-S473 PolarHBondContact O-N 3.08Å; N470-S473 WeakPolarHBondContact O-CB 3.29Å; N470-S473 PolarHBondContact O-N 3.26Å; N470-S473 PolarHBondContact O-OG 3.3Å; S473-T475 VanDerWaalsContact C-N 3.32Å
474	E	37.8	Very low	37.5	Very low	172 Å²	172	131.3 Å²	131.3	80%	0.804	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-2.5	172.8	-64.9	-174.1	146.1	0	0	113.9	N470 L472	N470-E474 PolarHBondContact O-N 3.07Å; L472-E474 VanDerWaalsContact C-N 3.33Å; L472-E474 PolarHBondContact O-N 3.03Å
475	T	36	Very low	36.7	Very low	77 Å²	77	132.5 Å²	132.5	47%	0.472	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.7	3.8	175.5	51	0	0	0	0	113.8	K471 L472 S473 D477 T478	K471-T475 PolarHBondContact O-OG1 2.99Å; L472-T475 WeakPolarHBondContact CA-OG1 3.4Å; L472-T475 CarbonylContact O-C 3.52Å; L472-T475 PolarHBondContact O-N 3.38Å; L472-T475 VanDerWaalsContact O-N 3.08Å; L472-T475 PolarHBondContact O-OG1 3.35Å; S473-T475 VanDerWaalsContact C-N 3.32Å; T475-D477 VanDerWaalsContact C-N 3.29Å; T475-D477 PolarHBondContact O-N 3.12Å; T475-T478 PolarHBondContact O-N 3.25Å; T475-T478 PolarHBondContact O-OG1 3.47Å
476	S	33	Very low	36	Very low	89 Å²	89	135.5 Å²	135.5	62%	0.622	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-14.1	-174	-166.4	0	0	0	0	114.9	L472 T478	L472-S476 WeakPolarHBondContact O-CB 3.15Å; L472-S476 PolarHBondContact O-N 3.45Å; S476-T478 PolarHBondContact O-N 2.98Å
477	D	32.5	Very low	35.1	Very low	173 Å²	173	139 Å²	139	93%	0.925	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-5.7	171.8	-84.2	-34.9	0	0	0	113.2	T475	T475-D477 VanDerWaalsContact C-N 3.29Å; T475-D477 PolarHBondContact O-N 3.12Å
478	T	35.4	Very low	34.5	Very low	107 Å²	107	139.8 Å²	139.8	66%	0.656	72%	0.715	S	S	*	*	S	Bend	trans	-136.9	91.3	170.2	52.4	0	0	0	0	112.3	T475 S476	T475-T478 PolarHBondContact O-N 3.25Å; T475-T478 PolarHBondContact O-OG1 3.47Å; S476-T478 PolarHBondContact O-N 2.98Å
479	L	34	Very low	34.1	Very low	169 Å²	169	141.8 Å²	141.8	89%	0.885	72%	0.724	S	S	*	*			trans	163.4	55.2	144.3	-88	160.6	0	0	0	113.9	K481	L479-K481 PolarHBondContact O-N 3.5Å; L479-K481 VanDerWaalsContact O-N 3.1Å
480	K	33.4	Very low	33.3	Very low	210 Å²	210	148.1 Å²	148.1	91%	0.913	74%	0.743	S	S	*	*			trans	-74.6	92.1	160.9	-82.1	-180	176.6	168.6	0	110.4
481	K	35.2	Very low	33	Very low	175 Å²	175	150.7 Å²	150.7	76%	0.761	76%	0.755	S	S	*	*	S	Bend	trans	163.7	115.5	138.1	-91.9	-179.2	176.2	-176.1	0	114.5	L479	L479-K481 PolarHBondContact O-N 3.5Å; L479-K481 VanDerWaalsContact O-N 3.1Å
482	Y	31.3	Very low	32.5	Very low	209 Å²	209	151.5 Å²	151.5	82%	0.82	76%	0.761	S	S	*	*			trans	72.3	153.7	141.6	-69.5	-58.4	0	0	0	120.3
483	P	31.9	Very low	32.5	Very low	116 Å²	116	154.6 Å²	154.6	75%	0.753	77%	0.772	S	S	*	*				-137.3	-161.4	-119	47.5	-30.6	0	0	0	116.8
484	L	27.2	Very low	32.4	Very low	171 Å²	171	160.6 Å²	160.6	90%	0.895	78%	0.783	S	S	*	*			trans	-59.7	137.9	-172.8	-63.4	163.2	0	0	0	117.5
485	V	31.9	Very low	32	Very low	128 Å²	128	158.5 Å²	158.5	78%	0.776	78%	0.777	S	S	*	*			trans	-153.9	153.1	141.1	-93.8	0	0	0	0	106.8
486	H	31.5	Very low	31.9	Very low	186 Å²	186	162.5 Å²	162.5	86%	0.861	79%	0.791	S	S	*	*			cis	-145.4	-162.6	1.5	-135.9	-23.9	0	0	0	110.3
487	E	28.6	Very low	32	Very low	172 Å²	172	166.5 Å²	166.5	80%	0.804	80%	0.797	S	S	*	*			trans	-124.7	-170.6	179	-134.8	-151.2	126.8	0	0	111.6
488	P	33.6	Very low	32.3	Very low	92 Å²	92	165.9 Å²	165.9	60%	0.597	79%	0.794	S	S	*	*				-117.1	177.7	-126.2	38.5	-20.4	0	0	0	114.9
489	K	31.7	Very low	32.5	Very low	198 Å²	198	166.8 Å²	166.8	86%	0.861	80%	0.795	S	S	*	*			trans	-135.8	125	161.4	-76.9	-171.5	176.6	176.2	0	112.5
490	Y	26.7	Very low	32.7	Very low	233 Å²	233	166.6 Å²	166.6	91%	0.914	79%	0.793	S	S	*	*			trans	-68	127	162.1	-80.5	-107.3	0	0	0	110.1
491	I	31.3	Very low	32.8	Very low	148 Å²	148	160.2 Å²	160.2	76%	0.759	78%	0.775	S	S	*	*			trans	-137.8	146.5	158.1	-65.7	-172.4	0	0	0	108.9
492	H	29.2	Very low	33.1	Very low	176 Å²	176	159.4 Å²	159.4	82%	0.815	77%	0.774	S	S	*	*			trans	-125.7	92.5	-159.6	-166.6	-63.9	0	0	0	111.6
493	H	35.3	Very low	33.3	Very low	168 Å²	168	158.8 Å²	158.8	78%	0.778	78%	0.775	S	S	*	*			trans	-142.8	133.5	171.9	-73.8	-88.6	0	0	0	107.7
494	R	32.4	Very low	33.4	Very low	204 Å²	204	156.7 Å²	156.7	77%	0.77	78%	0.775	S	S	*	*			cis	71	96.1	18	-157.6	178.1	-163.9	175	7.4	116.1
495	N	29.5	Very low	33.9	Very low	128 Å²	128	154.3 Å²	154.3	68%	0.684	77%	0.772	S	S	*	*			trans	66.3	146.6	157	-67.7	43.3	0	0	0	115.7
496	E	35.2	Very low	34.2	Very low	161 Å²	161	153 Å²	153	75%	0.752	77%	0.769	S	S	*	*			cis	-141.5	-162.7	40.3	-156.6	80.8	124.2	0	0	112.8
497	F	34.3	Very low	34.6	Very low	172 Å²	172	151.5 Å²	151.5	75%	0.754	77%	0.766	S	S	*	*			trans	-66.1	158.3	-178.8	-92.8	-123.2	0	0	0	115.4
498	D	39.3	Very low	35.2	Very low	160 Å²	160	149.1 Å²	149.1	86%	0.856	76%	0.758	S	S	*	*				-162.7	168.3	105.7	-105.7	-23.9	0	0	0	113.7
499	D	38.3	Very low	35.5	Very low	127 Å²	127	152.6 Å²	152.6	68%	0.679	76%	0.764	S	S	*	*			trans	-87.8	166.7	-154.3	-137.8	-43.9	0	0	0	116.4	S501	D499-S501 PolarHBondContact OD1-N 2.91Å
500	I	38.2	Very low	35.8	Very low	165 Å²	165	147.5 Å²	147.5	85%	0.846	75%	0.753	S	S	*	*				178.9	93.5	129.9	-89	155.8	0	0	0	112.1
501	S	36.2	Very low	36.3	Very low	76 Å²	76	145.6 Å²	145.6	53%	0.531	75%	0.753	S	S	.	*				64.4	103.3	123.3	-147.7	0	0	0	0	123.2	D499	D499-S501 PolarHBondContact OD1-N 2.91Å
502	Q	40.5	Very low	36.5	Very low	158 Å²	158	144.4 Å²	144.4	74%	0.738	75%	0.748	S	S	*	*				90.5	135.8	123.1	-76.4	-176.9	36.4	0	0	124.9
503	K	37.5	Very low	36.7	Very low	195 Å²	195	145.2 Å²	145.2	85%	0.848	74%	0.744	S	S	*	*			trans	71.9	123.2	159.8	-66.4	168.4	-174.9	172.8	0	118.2
504	G	33.8	Very low	36.7	Very low	73 Å²	73	144.8 Å²	144.8	75%	0.753	74%	0.742	S	S	*	*			cis	157.5	155.4	-12.9	0	0	0	0	0	114.9
505	S	37	Very low	36.6	Very low	120 Å²	120	139.5 Å²	139.5	84%	0.839	74%	0.742	S	S	*	*			trans	76.2	139.8	172.9	-159.1	0	0	0	0	116.9
506	S	38.4	Very low	36.8	Very low	100 Å²	100	140 Å²	140	70%	0.699	75%	0.75	S	S	*	*			cis	-167.6	174.2	-18.6	-86.7	0	0	0	0	110.3
507	I	40.1	Very low	36.8	Very low	156 Å²	156	139.6 Å²	139.6	80%	0.8	75%	0.752	S	S	*	*			trans	98.9	87.4	164.1	-51.9	170.4	0	0	0	116
508	D	40.8	Very low	36.9	Very low	121 Å²	121	139 Å²	139	65%	0.647	76%	0.755	S	S	*	*				35.5	139.1	114.2	-71.5	22.1	0	0	0	120.6
509	K	39.8	Very low	36.7	Very low	165 Å²	165	136 Å²	136	72%	0.717	75%	0.747	S	S	*	*			cis	-164.1	149.5	6.5	-127.7	-179.9	-175.6	86.9	0	112.8
510	S	38.1	Very low	36.7	Very low	91 Å²	91	136.1 Å²	136.1	64%	0.636	75%	0.752	S	S	*	*			trans	29	145.3	142	62.6	0	0	0	0	122.6
511	E	37.4	Very low	36.7	Very low	194 Å²	194	133.7 Å²	133.7	91%	0.907	75%	0.75	S	S	*	*			cis	-166.7	-176.4	-20.1	-153.4	156.5	126.1	0	0	109.1
512	N	34.8	Very low	36.9	Very low	123 Å²	123	134.9 Å²	134.9	66%	0.658	76%	0.758	S	S	*	*			trans	-133.3	128.6	-158.4	-171.4	35.8	0	0	0	114.2
513	R	34.7	Very low	36.9	Very low	193 Å²	193	133.1 Å²	133.1	73%	0.728	76%	0.76	S	S	*	*			trans	70.6	147.7	145.4	-89	172.7	-157	-145.5	-1.1	124.1
514	Q	35	Very low	36.9	Very low	158 Å²	158	130.4 Å²	130.4	74%	0.738	75%	0.754	S	S	*	*			trans	80.3	90.2	138.7	-74.9	167.4	-73.9	0	0	121.7
515	A	30.4	Very low	37.1	Very low	94 Å²	94	133.1 Å²	133.1	78%	0.777	76%	0.756	S	S	*	*				39.6	129.9	115.6	0	0	0	0	0	121.7
516	T	33.4	Very low	37.1	Very low	137 Å²	137	132.8 Å²	132.8	84%	0.84	75%	0.749	S	S	*	*				-160.8	151.5	124.3	-79.5	0	0	0	0	111.9
517	L	34.5	Very low	37.1	Very low	153 Å²	153	133.9 Å²	133.9	80%	0.801	75%	0.752	S	S	*	*			trans	-44	152	179.9	-55	156.8	0	0	0	117.4
518	I	36.2	Very low	37.2	Very low	161 Å²	161	133.5 Å²	133.5	83%	0.826	75%	0.751	S	S	*	*				174.9	148.5	109.8	-88.7	160.9	0	0	0	113.2
519	S	36.5	Very low	37.4	Very low	97 Å²	97	132 Å²	132	68%	0.678	75%	0.75	S	S	*	*			trans	-42.2	167.2	169.9	-37	0	0	0	0	117.6
520	T	36.6	Very low	37.8	Very low	128 Å²	128	128.4 Å²	128.4	79%	0.785	75%	0.746	S	S	*	*			cis	-168.1	167.8	5.7	-1.4	0	0	0	0	113.4
521	S	38.3	Very low	38.5	Very low	114 Å²	114	132.3 Å²	132.3	80%	0.797	75%	0.754	S	S	*	*			trans	74.7	133.5	148.3	51	0	0	0	0	123.8
522	S	40.5	Very low	39.2	Very low	102 Å²	102	127 Å²	127	71%	0.713	74%	0.738	S	S	*	*			trans	-87.6	-166.7	173.4	-25.6	0	0	0	0	112.4
523	P	42	Very low	40	Very low	120 Å²	120	126.3 Å²	126.3	78%	0.779	73%	0.734	S	S	*	*			cis	-128.6	156.5	30.8	18.6	8.4	0	0	0	115.9
524	I	37	Very low	40.8	Very low	139 Å²	139	122.6 Å²	122.6	71%	0.713	73%	0.727	S	S	*	*				83.4	117.6	60.5	-58.9	164.8	0	0	0	116.4	T526	I524-T526 HydrophobicContact CG2-CG2 4.42Å
525	T	37.2	Very low	41.5	Very low	130 Å²	130	118.2 Å²	118.2	80%	0.798	72%	0.718	S	S	*	*			trans	-164.5	104.6	149.7	18.5	0	0	0	0	107.4
526	T	36.9	Very low	42.5	Very low	113 Å²	113	116.7 Å²	116.7	69%	0.693	71%	0.705	S	S	*	*				52.1	128.8	86.2	65.5	0	0	0	0	114.1	I524	I524-T526 HydrophobicContact CG2-CG2 4.42Å
527	T	39.1	Very low	43.4	Very low	123 Å²	123	114.6 Å²	114.6	76%	0.755	69%	0.692	S	S	*	*			cis	-143.9	-173.1	36.5	48.8	0	0	0	0	115.4
528	D	42.8	Very low	44	Very low	148 Å²	148	114.9 Å²	114.9	79%	0.791	69%	0.686	S	S	*	*			trans	69.9	87.2	164.8	-69.9	-5.9	0	0	0	121.5
529	S	43.6	Very low	44.5	Very low	89 Å²	89	114.6 Å²	114.6	62%	0.622	68%	0.682	S	S	*	*			trans	-155.8	14.1	149.8	57.5	0	0	0	0	114.7	Q531 S532	S529-Q531 VanDerWaalsContact C-N 3.32Å; S529-Q531 PolarHBondContact O-N 3.2Å; S529-Q531 VanDerWaalsContact O-N 3.07Å; S529-S532 PolarHBondContact O-OG 3.43Å
530	S	48.3	Very low	45	Very low	89 Å²	89	113.3 Å²	113.3	62%	0.622	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-9.8	-157.9	-39	0	0	0	0	117.5
531	Q	54.2	Low	45.6	Very low	174 Å²	174	113.7 Å²	113.7	81%	0.813	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-25.1	-171	-68.8	-173.9	-6.1	0	0	114.7	S529	S529-Q531 VanDerWaalsContact C-N 3.32Å; S529-Q531 PolarHBondContact O-N 3.2Å; S529-Q531 VanDerWaalsContact O-N 3.07Å
532	S	52.3	Low	46.4	Very low	82 Å²	82	112 Å²	112	57%	0.573	65%	0.654	S	S	*	*	H	α-helix	trans	-71.3	-38	-177.8	53.5	0	0	0	0	112.9	S529 I534 A535 A536	S529-S532 PolarHBondContact O-OG 3.43Å; S532-I534 PolarHBondContact O-N 3.01Å; S532-A535 PolarHBondContact O-N 3.46Å; S532-A536 PolarHBondContact O-N 3.32Å
533	I	50	Low	47.3	Very low	109 Å²	109	113.9 Å²	113.9	56%	0.559	65%	0.652	S	S	*	*	H	α-helix	trans	-67.3	-36	-176.3	-57.2	178	0	0	0	111.4	A535 A536 V537	I533-A535 VanDerWaalsContact C-N 3.3Å; I533-A535 PolarHBondContact O-N 3.13Å; I533-A536 PolarHBondContact O-N 3.45Å; I533-V537 HydrophobicContact CG2-CG2 4.28Å; I533-V537 WeakPolarHBondContact O-CG2 3.07Å; I533-V537 PolarHBondContact O-N 2.94Å; I533-V537 VanDerWaalsContact O-N 3.07Å
534	I	52.7	Low	48.4	Very low	115 Å²	115	110.1 Å²	110.1	59%	0.59	64%	0.635	S	S	*	*	H	α-helix	trans	-69.8	-28.2	-177.6	-58.5	177.2	0	0	0	111.7	S532	S532-I534 PolarHBondContact O-N 3.01Å
535	A	49.5	Very low	50.1	Low	66 Å²	66	110 Å²	110	55%	0.545	63%	0.63	S	S	.	*	H	α-helix	trans	-70.5	-52.8	172.3	0	0	0	0	0	111.3	S532 I533 V537 K538 E539	S532-A535 PolarHBondContact O-N 3.46Å; I533-A535 VanDerWaalsContact C-N 3.3Å; I533-A535 PolarHBondContact O-N 3.13Å; A535-V537 VanDerWaalsContact C-N 3.29Å; A535-V537 PolarHBondContact O-N 3.31Å; A535-K538 PolarHBondContact O-N 3.44Å; A535-E539 PolarHBondContact O-N 2.96Å
536	A	50.4	Low	52.1	Low	62 Å²	62	108 Å²	108	51%	0.512	62%	0.618	S	S	.	*	H	α-helix	trans	-58.6	-38.1	-178.9	0	0	0	0	0	113.1	S532 I533 K538 E539 S540	S532-A536 PolarHBondContact O-N 3.32Å; I533-A536 PolarHBondContact O-N 3.45Å; A536-K538 VanDerWaalsContact C-N 3.3Å; A536-K538 PolarHBondContact O-N 2.99Å; A536-E539 PolarHBondContact O-N 3.29Å; A536-S540 PolarHBondContact O-N 3.45Å
537	V	52.7	Low	54.2	Low	92 Å²	92	105.4 Å²	105.4	56%	0.558	61%	0.605	S	S	*	*	H	α-helix	trans	-64.4	-31.7	177.6	169.4	0	0	0	0	112.4	I533 A535 S540	I533-V537 HydrophobicContact CG2-CG2 4.28Å; I533-V537 WeakPolarHBondContact O-CG2 3.07Å; I533-V537 PolarHBondContact O-N 2.94Å; I533-V537 VanDerWaalsContact O-N 3.07Å; A535-V537 VanDerWaalsContact C-N 3.29Å; A535-V537 PolarHBondContact O-N 3.31Å; V537-S540 PolarHBondContact O-OG 2.99Å
538	K	47.9	Very low	56.5	Low	159 Å²	159	102.1 Å²	102.1	69%	0.691	59%	0.59	S	S	*	*	H	α-helix	trans	-76.9	-29.2	179.3	-87	-173.1	171.4	-177.7	0	114.6	A535 A536	A535-K538 PolarHBondContact O-N 3.44Å; A536-K538 VanDerWaalsContact C-N 3.3Å; A536-K538 PolarHBondContact O-N 2.99Å
539	E	46.9	Very low	58.6	Low	156 Å²	156	100.2 Å²	100.2	73%	0.729	58%	0.58	S	S	*	*	H	α-helix	trans	-77	-39.2	-178.7	-159.2	155.2	-155	0	0	111.1	A535 A536 Q541 S542	A535-E539 PolarHBondContact O-N 2.96Å; A536-E539 PolarHBondContact O-N 3.29Å; E539-Q541 PolarHBondContact O-N 3.06Å; E539-Q541 VanDerWaalsContact O-N 3.08Å; E539-S542 PolarHBondContact O-N 2.99Å; E539-S542 PolarHBondContact O-OG 3.24Å
540	S	46.5	Very low	60.7	Low	70 Å²	70	102 Å²	102	49%	0.49	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.7	-18.7	176.2	71.9	0	0	0	0	115.2	A536 V537 S542 E543	A536-S540 PolarHBondContact O-N 3.45Å; V537-S540 PolarHBondContact O-OG 2.99Å; S540-S542 PolarHBondContact O-N 3.48Å; S540-E543 PolarHBondContact O-N 2.92Å
541	Q	49.3	Very low	62.8	Low	135 Å²	135	103.1 Å²	103.1	63%	0.631	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-17.9	-175.2	-158.8	169.1	17.5	0	0	113.5	E539 H545	E539-Q541 PolarHBondContact O-N 3.06Å; E539-Q541 VanDerWaalsContact O-N 3.08Å; Q541-H545 PolarHBondContact O-CD2 3.4Å; Q541-H545 VanDerWaalsContact O-CD2 3.25Å
542	S	55.5	Low	64.5	Low	80 Å²	80	98 Å²	98	56%	0.559	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-35.5	178.2	63.3	0	0	0	0	113.8	E539 S540	E539-S542 PolarHBondContact O-N 2.99Å; E539-S542 PolarHBondContact O-OG 3.24Å; S540-S542 PolarHBondContact O-N 3.48Å
543	E	58.8	Low	66.4	Low	141 Å²	141	100.6 Å²	100.6	66%	0.659	57%	0.568	S	S	*	*	H	α-helix	trans	-80.3	-23.7	-176	-56.5	-170.9	136.9	0	0	113.1	S540 H545 T546 S547	S540-E543 PolarHBondContact O-N 2.92Å; E543-H545 VanDerWaalsContact C-N 3.26Å; E543-H545 PolarHBondContact O-N 2.94Å; E543-T546 PolarHBondContact O-OG1 2.86Å; E543-T546 VanDerWaalsContact O-OG1 3.09Å; E543-S547 PolarHBondContact O-N 3.08Å; E543-S547 PolarHBondContact O-OG 2.86Å
544	G	65.1	Low	68.4	Low	41 Å²	41	97.7 Å²	97.7	42%	0.423	56%	0.558	S	S	.	*	H	α-helix	trans	-61.9	-32.1	172	0	0	0	0	0	113.1	S547 A548	G544-S547 WeakPolarHBondContact CA-OG 3.5Å; G544-S547 PolarHBondContact O-OG 3.44Å; G544-A548 WeakPolarHBondContact O-CB 3.32Å; G544-A548 PolarHBondContact O-N 3.23Å; G544-A548 VanDerWaalsContact O-N 3.12Å
545	H	73.5	Confident	70.3	Confident	135 Å²	135	97.7 Å²	97.7	63%	0.625	56%	0.558	S	S	*	*	H	α-helix	trans	-75.1	-39	-179.9	-73.2	-62.6	0	0	0	113.2	Q541 E543 L549	Q541-H545 PolarHBondContact O-CD2 3.4Å; Q541-H545 VanDerWaalsContact O-CD2 3.25Å; E543-H545 VanDerWaalsContact C-N 3.26Å; E543-H545 PolarHBondContact O-N 2.94Å; H545-L549 WeakPolarHBondContact O-CB 3.33Å; H545-L549 PolarHBondContact O-N 3.42Å
546	T	79	Confident	72.5	Confident	88 Å²	88	96.6 Å²	96.6	54%	0.54	55%	0.553	S	S	.	*	H	α-helix	trans	-71.4	-41.7	179.7	54.3	0	0	0	0	111.7	E543 L549 L550	E543-T546 PolarHBondContact O-OG1 2.86Å; E543-T546 VanDerWaalsContact O-OG1 3.09Å; T546-L549 WeakPolarHBondContact O-CB 3.48Å; T546-L549 PolarHBondContact O-N 2.72Å; T546-L550 WeakPolarHBondContact O-CG 3.5Å; T546-L550 PolarHBondContact O-N 2.87Å
547	S	80.9	Confident	74.6	Confident	60 Å²	60	99.1 Å²	99.1	42%	0.42	56%	0.558	S	S	.	*	H	α-helix	trans	-64	-43.6	174.6	51.4	0	0	0	0	112.5	E543 G544 L549 L550 L551	E543-S547 PolarHBondContact O-N 3.08Å; E543-S547 PolarHBondContact O-OG 2.86Å; G544-S547 WeakPolarHBondContact CA-OG 3.5Å; G544-S547 PolarHBondContact O-OG 3.44Å; S547-L549 VanDerWaalsContact C-N 3.33Å; S547-L549 PolarHBondContact O-N 2.93Å; S547-L550 PolarHBondContact O-N 3.47Å; S547-L551 WeakPolarHBondContact O-CG 3.24Å; S547-L551 PolarHBondContact O-N 3.42Å; S547-L551 VanDerWaalsContact O-N 3.13Å
548	A	86.7	Confident	76.6	Confident	54 Å²	54	99.3 Å²	99.3	45%	0.446	55%	0.554	S	S	.	*	H	α-helix	trans	-61.1	-39	172.8	0	0	0	0	0	112.7	G544 L551 A552	G544-A548 WeakPolarHBondContact O-CB 3.32Å; G544-A548 PolarHBondContact O-N 3.23Å; G544-A548 VanDerWaalsContact O-N 3.12Å; A548-L551 PolarHBondContact O-N 3.27Å; A548-A552 WeakPolarHBondContact O-CB 3.43Å; A548-A552 PolarHBondContact O-N 2.85Å
549	L	87.7	Confident	78.8	Confident	108 Å²	108	96 Å²	96	57%	0.565	55%	0.55	S	S	*	*	H	α-helix	trans	-61.1	-47.3	175.7	-135.1	83.6	0	0	0	111.5	H545 T546 S547 L551 A552 F553	H545-L549 WeakPolarHBondContact O-CB 3.33Å; H545-L549 PolarHBondContact O-N 3.42Å; T546-L549 WeakPolarHBondContact O-CB 3.48Å; T546-L549 PolarHBondContact O-N 2.72Å; S547-L549 VanDerWaalsContact C-N 3.33Å; S547-L549 PolarHBondContact O-N 2.93Å; L549-L551 VanDerWaalsContact C-N 3.34Å; L549-L551 PolarHBondContact O-N 3.21Å; L549-A552 PolarHBondContact O-N 3.25Å; L549-F553 HydrophobicContact CD2-CD2 4.41Å; L549-F553 HydrophobicContact CD2-CE2 4.01Å; L549-F553 HydrophobicContact CG-CD2 4.25Å; L549-F553 HydrophobicContact CG-CE2 4.14Å; L549-F553 WeakPolarHBondContact O-CD2 3.46Å; L549-F553 PolarHBondContact O-N 3.43Å
550	L	87.6	Confident	81	Confident	125 Å²	125	92.2 Å²	92.2	65%	0.654	54%	0.54	S	S	*	.	H	α-helix	trans	-63	-38.7	-179.1	-71.3	170.5	0	0	0	112.3	T546 S547 F553 S554	T546-L550 WeakPolarHBondContact O-CG 3.5Å; T546-L550 PolarHBondContact O-N 2.87Å; S547-L550 PolarHBondContact O-N 3.47Å; L550-F553 PolarHBondContact O-N 2.88Å; L550-S554 PolarHBondContact O-N 3.29Å; L550-S554 PolarHBondContact O-OG 3.45Å
551	L	90.9	Very high	83.2	Confident	114 Å²	114	95.6 Å²	95.6	60%	0.597	55%	0.546	S	S	*	.	H	α-helix	trans	-66.7	-40.9	173.7	-68.1	175	0	0	0	112.1	S547 A548 L549 S554 L555	S547-L551 WeakPolarHBondContact O-CG 3.24Å; S547-L551 PolarHBondContact O-N 3.42Å; S547-L551 VanDerWaalsContact O-N 3.13Å; A548-L551 PolarHBondContact O-N 3.27Å; L549-L551 VanDerWaalsContact C-N 3.34Å; L549-L551 PolarHBondContact O-N 3.21Å; L551-S554 PolarHBondContact O-N 2.91Å; L551-S554 PolarHBondContact O-OG 3.45Å; L551-S554 VanDerWaalsContact O-OG 3.07Å; L551-L555 WeakPolarHBondContact O-CB 3.49Å; L551-L555 VanDerWaalsContact O-CG 3.29Å; L551-L555 WeakPolarHBondContact O-CG 3.04Å; L551-L555 PolarHBondContact O-N 3.28Å
552	A	90.9	Very high	85.3	Confident	65 Å²	65	93.5 Å²	93.5	54%	0.537	54%	0.538	S	S	.	.	H	α-helix	trans	-63.7	-41.9	175.3	0	0	0	0	0	112.2	A548 L549 G556	A548-A552 WeakPolarHBondContact O-CB 3.43Å; A548-A552 PolarHBondContact O-N 2.85Å; L549-A552 PolarHBondContact O-N 3.25Å; A552-G556 PolarHBondContact O-N 2.89Å
553	F	91.4	Very high	87.1	Confident	137 Å²	137	91.6 Å²	91.6	60%	0.601	53%	0.531	S	S	*	.	H	α-helix	trans	-66.1	-42.4	176.2	-90.2	-76.1	0	0	0	112.7	L549 L550 G556 L557	L549-F553 HydrophobicContact CD2-CD2 4.41Å; L549-F553 HydrophobicContact CD2-CE2 4.01Å; L549-F553 HydrophobicContact CG-CD2 4.25Å; L549-F553 HydrophobicContact CG-CE2 4.14Å; L549-F553 WeakPolarHBondContact O-CD2 3.46Å; L549-F553 PolarHBondContact O-N 3.43Å; L550-F553 PolarHBondContact O-N 2.88Å; F553-G556 PolarHBondContact O-N 2.83Å; F553-L557 WeakPolarHBondContact O-CG 3.02Å; F553-L557 PolarHBondContact O-N 3.48Å
554	S	93	Very high	88.7	Confident	48 Å²	48	90 Å²	90	34%	0.336	53%	0.527	S	S	.	.	H	α-helix	trans	-66.5	-43.9	179.2	65.8	0	0	0	0	112.2	L550 L551 G556 L557 I558	L550-S554 PolarHBondContact O-N 3.29Å; L550-S554 PolarHBondContact O-OG 3.45Å; L551-S554 PolarHBondContact O-N 2.91Å; L551-S554 PolarHBondContact O-OG 3.45Å; L551-S554 VanDerWaalsContact O-OG 3.07Å; S554-G556 VanDerWaalsContact C-N 3.33Å; S554-G556 PolarHBondContact O-N 3.44Å; S554-L557 PolarHBondContact O-N 3.29Å; S554-I558 WeakPolarHBondContact O-CD1 3.41Å; S554-I558 VanDerWaalsContact O-CG1 3.29Å; S554-I558 WeakPolarHBondContact O-CG1 3.38Å; S554-I558 PolarHBondContact O-N 3.47Å
555	L	92.8	Very high	90	Very high	116 Å²	116	92.6 Å²	92.6	61%	0.607	53%	0.53	S	S	*	.	H	α-helix	trans	-62.3	-38.9	173.8	-68.8	172.4	0	0	0	112.1	L551 I558 C559	L551-L555 WeakPolarHBondContact O-CB 3.49Å; L551-L555 VanDerWaalsContact O-CG 3.29Å; L551-L555 WeakPolarHBondContact O-CG 3.04Å; L551-L555 PolarHBondContact O-N 3.28Å; L555-I558 PolarHBondContact O-N 2.03Å; L555-C559 VanDerWaalsContact O-CB 3.29Å; L555-C559 WeakPolarHBondContact O-CB 3.32Å; L555-C559 PolarHBondContact O-N 3.34Å
556	G	94.3	Very high	90.9	Very high	42 Å²	42	90.1 Å²	90.1	43%	0.433	52%	0.521	S	S	.	.	H	α-helix	trans	-61.7	-43.4	174.4	0	0	0	0	0	113.3	A552 F553 S554 C560	A552-G556 PolarHBondContact O-N 2.89Å; F553-G556 PolarHBondContact O-N 2.83Å; S554-G556 VanDerWaalsContact C-N 3.33Å; S554-G556 PolarHBondContact O-N 3.44Å; G556-C560 WeakPolarHBondContact O-CB 3.34Å; G556-C560 PolarHBondContact O-N 3.27Å
557	L	94.9	Very high	91.3	Very high	116 Å²	116	88 Å²	88	61%	0.607	51%	0.512	S	S	*	.	H	α-helix	trans	-66.9	-41.9	176.6	-71	172.4	0	0	0	112.3	F553 S554 C560 F561	F553-L557 WeakPolarHBondContact O-CG 3.02Å; F553-L557 PolarHBondContact O-N 3.48Å; S554-L557 PolarHBondContact O-N 3.29Å; L557-C560 WeakPolarHBondContact O-CB 3.28Å; L557-C560 PolarHBondContact O-N 3.43Å; L557-F561 PolarHBondContact O-N 3.19Å
558	I	94.6	Very high	91.7	Very high	96 Å²	96	88.5 Å²	88.5	49%	0.492	51%	0.508	S	S	.	.	H	α-helix	trans	-61.9	-47.3	175.9	-68.9	163.7	0	0	0	110.5	S554 L555 C560 F561 I562	S554-I558 WeakPolarHBondContact O-CD1 3.41Å; S554-I558 VanDerWaalsContact O-CG1 3.29Å; S554-I558 WeakPolarHBondContact O-CG1 3.38Å; S554-I558 PolarHBondContact O-N 3.47Å; L555-I558 PolarHBondContact O-N 2.03Å; I558-C560 VanDerWaalsContact C-N 3.32Å; I558-C560 PolarHBondContact O-N 3.15Å; I558-F561 PolarHBondContact O-N 2.92Å; I558-I562 HydrophobicContact CG2-CD1 3.87Å; I558-I562 WeakPolarHBondContact O-CG1 3.41Å; I558-I562 PolarHBondContact O-N 2.58Å
559	C	93.8	Very high	91.6	Very high	90 Å²	90	93.1 Å²	93.1	61%	0.608	51%	0.514	S	S	*	.	H	α-helix	trans	-60.2	-41.3	176.5	-173.6	0	0	0	0	112	L555 I562 G563	L555-C559 VanDerWaalsContact O-CB 3.29Å; L555-C559 WeakPolarHBondContact O-CB 3.32Å; L555-C559 PolarHBondContact O-N 3.34Å; C559-I562 PolarHBondContact O-N 2.67Å; C559-G563 PolarHBondContact O-N 2.68Å
560	C	93	Very high	91.6	Very high	75 Å²	75	95.9 Å²	95.9	51%	0.507	52%	0.517	S	S	.	.	H	α-helix	trans	-61.7	-44.9	174.9	-170.3	0	0	0	0	112.2	G556 L557 I558 G563 L564	G556-C560 WeakPolarHBondContact O-CB 3.34Å; G556-C560 PolarHBondContact O-N 3.27Å; L557-C560 WeakPolarHBondContact O-CB 3.28Å; L557-C560 PolarHBondContact O-N 3.43Å; I558-C560 VanDerWaalsContact C-N 3.32Å; I558-C560 PolarHBondContact O-N 3.15Å; C560-G563 PolarHBondContact O-N 2.71Å; C560-L564 WeakPolarHBondContact O-CG 3.48Å; C560-L564 PolarHBondContact O-N 3.16Å
561	F	93	Very high	91.6	Very high	142 Å²	142	97.9 Å²	97.9	62%	0.623	52%	0.516	S	S	*	.	H	α-helix	trans	-60.6	-45.2	176	-109.6	-86.6	0	0	0	112.5	L557 I558 G563 L564 L565	L557-F561 PolarHBondContact O-N 3.19Å; I558-F561 PolarHBondContact O-N 2.92Å; F561-G563 VanDerWaalsContact C-N 3.34Å; F561-G563 PolarHBondContact O-N 3.35Å; F561-L564 PolarHBondContact O-N 2.92Å; F561-L565 WeakPolarHBondContact O-CG 3.32Å; F561-L565 PolarHBondContact O-N 3.32Å
562	I	93.2	Very high	91.2	Very high	91 Å²	91	99.8 Å²	99.8	47%	0.467	52%	0.515	S	S	.	.	H	α-helix	trans	-61.7	-43.4	176.4	-66.6	166.1	0	0	0	110.5	I558 C559 L564 L565 I566	I558-I562 HydrophobicContact CG2-CD1 3.87Å; I558-I562 WeakPolarHBondContact O-CG1 3.41Å; I558-I562 PolarHBondContact O-N 2.58Å; C559-I562 PolarHBondContact O-N 2.67Å; I562-L564 VanDerWaalsContact C-N 3.35Å; I562-L564 PolarHBondContact O-N 2.86Å; I562-L565 PolarHBondContact O-N 3.41Å; I562-I566 HydrophobicContact CG2-CD1 3.81Å; I562-I566 HydrophobicContact CG2-CG1 4.49Å; I562-I566 WeakPolarHBondContact O-CG1 3.33Å; I562-I566 PolarHBondContact O-N 3.26Å
563	G	93	Very high	90.4	Very high	40 Å²	40	101.2 Å²	101.2	41%	0.412	51%	0.511	S	S	.	.	H	α-helix	trans	-59.8	-40.6	174.9	0	0	0	0	0	113.5	C559 C560 F561 A567	C559-G563 PolarHBondContact O-N 2.68Å; C560-G563 PolarHBondContact O-N 2.71Å; F561-G563 VanDerWaalsContact C-N 3.34Å; F561-G563 PolarHBondContact O-N 3.35Å; G563-A567 WeakPolarHBondContact O-CB 3.21Å; G563-A567 PolarHBondContact O-N 3.3Å
564	L	94.3	Very high	89.3	Confident	108 Å²	108	101.9 Å²	101.9	57%	0.565	51%	0.513	S	S	*	.	H	α-helix	trans	-67.8	-40.9	175.2	-71.3	172.8	0	0	0	112.3	C560 F561 I562 A567 E568	C560-L564 WeakPolarHBondContact O-CG 3.48Å; C560-L564 PolarHBondContact O-N 3.16Å; F561-L564 PolarHBondContact O-N 2.92Å; I562-L564 VanDerWaalsContact C-N 3.35Å; I562-L564 PolarHBondContact O-N 2.86Å; L564-A567 PolarHBondContact O-N 3.4Å; L564-E568 WeakPolarHBondContact O-CB 3.3Å; L564-E568 PolarHBondContact O-N 3.15Å
565	L	92	Very high	87.7	Confident	94 Å²	94	105 Å²	105	49%	0.492	53%	0.525	S	S	.	.	H	α-helix	trans	-63.3	-41.6	175.1	-71.9	170.4	0	0	0	111.9	F561 I562 A567 E568 W569	F561-L565 WeakPolarHBondContact O-CG 3.32Å; F561-L565 PolarHBondContact O-N 3.32Å; I562-L565 PolarHBondContact O-N 3.41Å; L565-A567 VanDerWaalsContact C-N 3.32Å; L565-A567 PolarHBondContact O-N 3.49Å; L565-E568 WeakPolarHBondContact O-CB 3.41Å; L565-E568 PolarHBondContact O-N 3.08Å; L565-W569 VanDerWaalsContact O-CB 3.3Å; L565-W569 WeakPolarHBondContact O-CB 3.36Å; L565-W569 PolarHBondContact O-N 2.66Å
566	I	91.2	Very high	85.8	Confident	84 Å²	84	105.6 Å²	105.6	43%	0.431	53%	0.525	S	S	.	.	H	α-helix	trans	-65.4	-35.9	174.3	-66.9	166.9	0	0	0	111	I562 R570	I562-I566 HydrophobicContact CG2-CD1 3.81Å; I562-I566 HydrophobicContact CG2-CG1 4.49Å; I562-I566 WeakPolarHBondContact O-CG1 3.33Å; I562-I566 PolarHBondContact O-N 3.26Å; I566-R570 WeakPolarHBondContact O-CB 3.25Å; I566-R570 WeakPolarHBondContact O-CG 3.38Å; I566-R570 PolarHBondContact O-N 2.62Å
567	A	88.6	Confident	83.5	Confident	43 Å²	43	109 Å²	109	36%	0.355	53%	0.532	S	S	.	.	H	α-helix	trans	-69.1	-43.2	175.5	0	0	0	0	0	112.6	G563 L564 L565 R571	G563-A567 WeakPolarHBondContact O-CB 3.21Å; G563-A567 PolarHBondContact O-N 3.3Å; L564-A567 PolarHBondContact O-N 3.4Å; L565-A567 VanDerWaalsContact C-N 3.32Å; L565-A567 PolarHBondContact O-N 3.49Å; A567-R571 WeakPolarHBondContact O-CG 3.08Å; A567-R571 PolarHBondContact O-N 2.84Å
568	E	88.1	Confident	81.2	Confident	71 Å²	71	113.3 Å²	113.3	33%	0.332	54%	0.541	S	S	.	.	H	α-helix	trans	-55.6	-51.8	169.3	-94.9	-72	119.7	0	0	111.1	L564 L565 R570 R571 R572	L564-E568 WeakPolarHBondContact O-CB 3.3Å; L564-E568 PolarHBondContact O-N 3.15Å; L565-E568 WeakPolarHBondContact O-CB 3.41Å; L565-E568 PolarHBondContact O-N 3.08Å; E568-R570 PolarHBondContact O-N 3.15Å; E568-R571 WeakPolarHBondContact O-CB 3.36Å; E568-R571 PolarHBondContact O-N 3.04Å; E568-R571 VanDerWaalsContact O-N 3.08Å; E568-R572 WeakPolarHBondContact O-CG 3.37Å; E568-R572 PolarHBondContact O-N 3.02Å; E568-R572 IonicContact OE2-CZ 3.68Å; E568-R572 VanDerWaalsContact OE2-CZ 3.23Å; E568-R572 IonicContact OE2-NE 3.86Å; E568-R572 PolarHBondContact OE2-NE 2.86Å; E568-R572 IonicContact OE2-NH2 3.37Å; E568-R572 PolarHBondContact OE2-NH2 2.03Å
569	W	84.9	Confident	78.7	Confident	150 Å²	150	112.6 Å²	112.6	57%	0.568	54%	0.544	S	S	*	.	H	α-helix	trans	-62.8	-42.5	-178.8	-169.1	87.3	0	0	0	111.9	L565 R571 R572 Q573	L565-W569 VanDerWaalsContact O-CB 3.3Å; L565-W569 WeakPolarHBondContact O-CB 3.36Å; L565-W569 PolarHBondContact O-N 2.66Å; W569-R571 VanDerWaalsContact C-N 3.34Å; W569-R571 PolarHBondContact O-N 3.37Å; W569-R572 PolarHBondContact O-N 2.97Å; W569-Q573 HydrophobicContact CD2-CG 4.28Å; W569-Q573 HydrophobicContact CE3-CG 4.26Å; W569-Q573 HydrophobicContact CH2-CG 4.42Å; W569-Q573 HydrophobicContact CZ2-CG 4.41Å; W569-Q573 VanDerWaalsContact CZ2-NE2 3.3Å; W569-Q573 HydrophobicContact CZ3-CG 4.33Å; W569-Q573 PolarHBondContact O-N 3.43Å
570	R	89.2	Confident	76.2	Confident	166 Å²	166	112.4 Å²	112.4	63%	0.626	54%	0.544	S	S	*	.	H	α-helix	trans	-64.9	-31.8	172.4	-76	179.3	173.9	-173.3	-0	113.2	I566 E568 K574	I566-R570 WeakPolarHBondContact O-CB 3.25Å; I566-R570 WeakPolarHBondContact O-CG 3.38Å; I566-R570 PolarHBondContact O-N 2.62Å; E568-R570 PolarHBondContact O-N 3.15Å; R570-K574 WeakPolarHBondContact O-CG 3.46Å; R570-K574 PolarHBondContact O-N 3.39Å; R570-K574 VanDerWaalsContact O-N 3.16Å
571	R	86.9	Confident	73.8	Confident	167 Å²	167	116.6 Å²	116.6	63%	0.63	56%	0.556	S	S	*	*	H	α-helix	trans	-67.4	-48.7	170.8	-76.1	172.5	176.5	179.7	-1	110.9	A567 E568 W569 Q573 K574 L575	A567-R571 WeakPolarHBondContact O-CG 3.08Å; A567-R571 PolarHBondContact O-N 2.84Å; E568-R571 WeakPolarHBondContact O-CB 3.36Å; E568-R571 PolarHBondContact O-N 3.04Å; E568-R571 VanDerWaalsContact O-N 3.08Å; W569-R571 VanDerWaalsContact C-N 3.34Å; W569-R571 PolarHBondContact O-N 3.37Å; R571-Q573 PolarHBondContact O-N 3.49Å; R571-K574 PolarHBondContact O-N 3.37Å; R571-L575 WeakPolarHBondContact O-CG 3.02Å; R571-L575 PolarHBondContact O-N 3.4Å
572	R	82.7	Confident	71.2	Confident	155 Å²	155	120.4 Å²	120.4	59%	0.585	57%	0.566	S	S	*	*	H	α-helix	trans	-62.4	-41	179	-66.7	177.5	-168.4	-139.9	5	111.8	E568 W569 L575 H576	E568-R572 WeakPolarHBondContact O-CG 3.37Å; E568-R572 PolarHBondContact O-N 3.02Å; E568-R572 IonicContact OE2-CZ 3.68Å; E568-R572 VanDerWaalsContact OE2-CZ 3.23Å; E568-R572 IonicContact OE2-NE 3.86Å; E568-R572 PolarHBondContact OE2-NE 2.86Å; E568-R572 IonicContact OE2-NH2 3.37Å; E568-R572 PolarHBondContact OE2-NH2 2.03Å; W569-R572 PolarHBondContact O-N 2.97Å; R572-L575 PolarHBondContact O-N 3.11Å; R572-H576 PolarHBondContact O-CD2 2.79Å; R572-H576 PolarHBondContact O-N 2.96Å
573	Q	73.4	Confident	68.4	Low	95 Å²	95	120.6 Å²	120.6	44%	0.444	58%	0.576	S	S	.	*	H	α-helix	trans	-63.8	-39.2	172.5	-78.5	-151.5	-23.7	0	0	113.2	W569 R571 L575 H576 L577	W569-Q573 HydrophobicContact CD2-CG 4.28Å; W569-Q573 HydrophobicContact CE3-CG 4.26Å; W569-Q573 HydrophobicContact CH2-CG 4.42Å; W569-Q573 HydrophobicContact CZ2-CG 4.41Å; W569-Q573 VanDerWaalsContact CZ2-NE2 3.3Å; W569-Q573 HydrophobicContact CZ3-CG 4.33Å; W569-Q573 PolarHBondContact O-N 3.43Å; R571-Q573 PolarHBondContact O-N 3.49Å; Q573-L575 VanDerWaalsContact C-N 3.31Å; Q573-L575 PolarHBondContact O-N 3.07Å; Q573-H576 PolarHBondContact O-N 3.42Å; Q573-L577 PolarHBondContact O-N 2.99Å
574	K	69.1	Low	65.8	Low	150 Å²	150	129.9 Å²	129.9	65%	0.652	60%	0.598	S	S	*	*	H	α-helix	trans	-63.5	-37.4	173.5	-77.3	179.1	177.8	-174.6	0	112.3	R570 R571 L577 W578	R570-K574 WeakPolarHBondContact O-CG 3.46Å; R570-K574 PolarHBondContact O-N 3.39Å; R570-K574 VanDerWaalsContact O-N 3.16Å; R571-K574 PolarHBondContact O-N 3.37Å; K574-L577 PolarHBondContact O-N 2.98Å; K574-W578 PolarHBondContact O-N 3.18Å
575	L	57.9	Low	62.9	Low	113 Å²	113	129.4 Å²	129.4	59%	0.592	60%	0.602	S	S	*	*	H	α-helix	trans	-67	-40.6	173	-69.1	169.6	0	0	0	112.1	R571 R572 Q573 W578 S579	R571-L575 WeakPolarHBondContact O-CG 3.02Å; R571-L575 PolarHBondContact O-N 3.4Å; R572-L575 PolarHBondContact O-N 3.11Å; Q573-L575 VanDerWaalsContact C-N 3.31Å; Q573-L575 PolarHBondContact O-N 3.07Å; L575-W578 CarbonylContact O-C 3.59Å; L575-W578 PolarHBondContact O-N 2.98Å; L575-S579 WeakPolarHBondContact O-CB 3.48Å; L575-S579 PolarHBondContact O-N 3.16Å
576	H	53.1	Low	60.3	Low	129 Å²	129	133.8 Å²	133.8	60%	0.597	62%	0.62	S	S	*	*	H	α-helix	trans	-65.5	-38	173.3	-89.8	-90	0	0	0	112.9	R572 Q573 S579 S580	R572-H576 PolarHBondContact O-CD2 2.79Å; R572-H576 PolarHBondContact O-N 2.96Å; Q573-H576 PolarHBondContact O-N 3.42Å; H576-S579 WeakPolarHBondContact O-CB 3.16Å; H576-S579 PolarHBondContact O-N 2.95Å; H576-S580 PolarHBondContact O-N 3.28Å; H576-S580 PolarHBondContact O-OG 2.94Å
577	L	47.7	Very low	57.8	Low	113 Å²	113	137.2 Å²	137.2	59%	0.592	63%	0.634	S	S	*	*	H	α-helix	trans	-63.9	-42.1	172.4	-106.9	69.2	0	0	0	111.8	Q573 K574 S579 H581	Q573-L577 PolarHBondContact O-N 2.99Å; K574-L577 PolarHBondContact O-N 2.98Å; L577-S579 VanDerWaalsContact C-N 3.32Å; L577-H581 WeakPolarHBondContact O-CB 3.32Å; L577-H581 PolarHBondContact O-N 3Å
578	W	46.1	Very low	55.2	Low	207 Å²	207	139 Å²	139	78%	0.784	65%	0.649	S	S	*	*	H	α-helix	trans	-72.2	-21.3	174.8	-77.4	-7.8	0	0	0	114.3	K574 L575	K574-W578 PolarHBondContact O-N 3.18Å; L575-W578 CarbonylContact O-C 3.59Å; L575-W578 PolarHBondContact O-N 2.98Å
579	S	41.6	Very low	52.9	Low	81 Å²	81	141.5 Å²	141.5	57%	0.566	66%	0.663	S	S	*	*	H	α-helix	trans	-72.7	-54	168.5	-168.6	0	0	0	0	110.8	L575 H576 L577 H581 R582	L575-S579 WeakPolarHBondContact O-CB 3.48Å; L575-S579 PolarHBondContact O-N 3.16Å; H576-S579 WeakPolarHBondContact O-CB 3.16Å; H576-S579 PolarHBondContact O-N 2.95Å; L577-S579 VanDerWaalsContact C-N 3.32Å; S579-H581 PolarHBondContact O-N 3.33Å; S579-R582 PolarHBondContact O-N 2.82Å; S579-R582 VanDerWaalsContact O-N 3.15Å
580	S	42.1	Very low	50.7	Low	87 Å²	87	140.5 Å²	140.5	61%	0.608	67%	0.673	S	S	*	*	H	α-helix	trans	-68.6	-30.7	-177.4	-63.9	0	0	0	0	114	H576 R582	H576-S580 PolarHBondContact O-N 3.28Å; H576-S580 PolarHBondContact O-OG 2.94Å; S580-R582 VanDerWaalsContact C-N 3.26Å; S580-R582 PolarHBondContact O-N 3.32Å
581	H	42.1	Very low	48.2	Very low	163 Å²	163	141.5 Å²	141.5	76%	0.755	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-0	174.5	-103.8	-70.1	0	0	0	114.8	L577 S579	L577-H581 WeakPolarHBondContact O-CB 3.32Å; L577-H581 PolarHBondContact O-N 3Å; S579-H581 PolarHBondContact O-N 3.33Å
582	R	37.2	Very low	45.8	Very low	221 Å²	221	136.6 Å²	136.6	83%	0.834	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-9.9	175.6	-134.6	175.5	-170.6	-169.3	1.5	114.2	S579 S580 R584	S579-R582 PolarHBondContact O-N 2.82Å; S579-R582 VanDerWaalsContact O-N 3.15Å; S580-R582 VanDerWaalsContact C-N 3.26Å; S580-R582 PolarHBondContact O-N 3.32Å; R582-R584 PolarHBondContact O-N 3.46Å
583	S	34.7	Very low	43.8	Very low	96 Å²	96	136.9 Å²	136.9	67%	0.671	70%	0.697	S	S	*	*	S	Bend	trans	-65.7	113.4	159.6	-68.2	0	0	0	0	108.9
584	R	38.1	Very low	42	Very low	234 Å²	234	143.3 Å²	143.3	88%	0.883	72%	0.718	S	S	*	*			trans	-56.9	130.6	-173.4	-68.5	178.4	176.1	173.8	-1.4	111.6	R582	R582-R584 PolarHBondContact O-N 3.46Å
585	P	34	Very low	40.7	Very low	99 Å²	99	142.6 Å²	142.6	64%	0.643	73%	0.726	S	S	*	*			trans	-67.1	131	142.3	30.9	-30.3	0	0	0	107.7	Q587	P585-Q587 VanDerWaalsContact C-N 3.33Å; P585-Q587 PolarHBondContact O-N 2.86Å
586	E	38.2	Very low	39.6	Very low	185 Å²	185	147.2 Å²	147.2	86%	0.864	74%	0.741	S	S	*	*			trans	-70.9	88.6	176.5	-167.9	-177.7	145.8	0	0	109.9	A588	E586-A588 PolarHBondContact O-N 3.47Å; E586-A588 VanDerWaalsContact O-N 3.09Å
587	Q	38.9	Very low	39	Very low	156 Å²	156	148.5 Å²	148.5	73%	0.729	75%	0.751	S	S	*	*			trans	-72.5	101.6	171	-71.7	-170.5	-5.4	0	0	108.8	P585 I589	P585-Q587 VanDerWaalsContact C-N 3.33Å; P585-Q587 PolarHBondContact O-N 2.86Å; Q587-I589 VanDerWaalsContact C-N 3.33Å; Q587-I589 WeakPolarHBondContact O-CG1 3.14Å; Q587-I589 PolarHBondContact O-N 2.78Å
588	A	34.1	Very low	38.4	Very low	82 Å²	82	148.3 Å²	148.3	68%	0.678	76%	0.759	S	S	*	*			trans	-63.2	92.5	167.9	0	0	0	0	0	109.7	E586 V590	E586-A588 PolarHBondContact O-N 3.47Å; E586-A588 VanDerWaalsContact O-N 3.09Å; A588-V590 VanDerWaalsContact C-N 3.27Å; A588-V590 PolarHBondContact O-N 2.77Å
589	I	38.5	Very low	37.8	Very low	122 Å²	122	147.3 Å²	147.3	63%	0.626	77%	0.765	S	S	*	*			trans	-75.1	82.7	177.6	-50.6	-176.7	0	0	0	108.9	Q587 F591	Q587-I589 VanDerWaalsContact C-N 3.33Å; Q587-I589 WeakPolarHBondContact O-CG1 3.14Å; Q587-I589 PolarHBondContact O-N 2.78Å; I589-F591 HydrophobicContact CG2-CD2 3.65Å; I589-F591 HydrophobicContact CG2-CE2 3.51Å; I589-F591 HydrophobicContact CG2-CG 4.49Å; I589-F591 HydrophobicContact CG2-CZ 4.25Å; I589-F591 PolarHBondContact O-N 3.15Å
590	V	40.2	Very low	37.6	Very low	129 Å²	129	149 Å²	149	78%	0.782	77%	0.774	S	S	*	*			trans	-69.6	92.9	169.8	-178.4	0	0	0	0	108.6	A588 G592	A588-V590 VanDerWaalsContact C-N 3.27Å; A588-V590 PolarHBondContact O-N 2.77Å; V590-G592 PolarHBondContact O-N 3.49Å
591	F	36.4	Very low	37.2	Very low	187 Å²	187	156.3 Å²	156.3	82%	0.82	79%	0.789	S	S	*	*			trans	-67.7	93.7	167.3	-89.9	-79.3	0	0	0	109.6	I589 D593	I589-F591 HydrophobicContact CG2-CD2 3.65Å; I589-F591 HydrophobicContact CG2-CE2 3.51Å; I589-F591 HydrophobicContact CG2-CG 4.49Å; I589-F591 HydrophobicContact CG2-CZ 4.25Å; I589-F591 PolarHBondContact O-N 3.15Å; F591-D593 PolarHBondContact O-N 2.98Å
592	G	36.2	Very low	37	Very low	65 Å²	65	157 Å²	157	67%	0.67	80%	0.797	S	S	*	*			trans	-78.3	101.1	175.5	0	0	0	0	0	111.5	V590	V590-G592 PolarHBondContact O-N 3.49Å
593	D	40.5	Very low	37.2	Very low	160 Å²	160	155.8 Å²	155.8	86%	0.856	80%	0.798	S	S	*	*			trans	-74	146.6	178.5	-144.8	-18.5	0	0	0	112.4	F591	F591-D593 PolarHBondContact O-N 2.98Å
594	R	35.4	Very low	37.3	Very low	231 Å²	231	157 Å²	157	87%	0.872	80%	0.803	S	S	*	*			trans	-109.3	86.4	-167.1	-84.8	-177.5	164.3	-178.2	-2.6	113.4
595	T	42.6	Very low	37.2	Very low	134 Å²	134	150.8 Å²	150.8	82%	0.822	80%	0.796	S	S	*	*			trans	-92.3	119.1	161.5	51.9	0	0	0	0	111.3	I597	T595-I597 PolarHBondContact O-N 2.94Å
596	K	34.7	Very low	37.3	Very low	211 Å²	211	156.4 Å²	156.4	92%	0.917	80%	0.804	S	S	*	*			trans	-75.1	117.3	178.6	-60.6	170.5	-175.7	168.8	0	110.7
597	I	40	Very low	37.2	Very low	156 Å²	156	159.2 Å²	159.2	80%	0.8	81%	0.807	S	S	*	*			trans	-129.9	143.8	157.8	-60.9	-176.5	0	0	0	108.7	T595	T595-I597 PolarHBondContact O-N 2.94Å
598	S	34.5	Very low	37.1	Very low	108 Å²	108	160.1 Å²	160.1	76%	0.755	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-70.4	135.2	-170.5	42.1	0	0	0	0	113.8	P600	S598-P600 WeakPolarHBondContact O-CD 3.36Å
599	M	33.6	Very low	37.2	Very low	186 Å²	186	165 Å²	165	92%	0.916	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-86.8	124.3	165.3	-69.4	-172.6	-176.9	0	0	111.2
600	P	38.4	Very low	37.3	Very low	116 Å²	116	168.9 Å²	168.9	75%	0.753	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-75.5	141.5	141.9	31.9	-29.5	0	0	0	109.6	S598	S598-P600 WeakPolarHBondContact O-CD 3.36Å
601	R	32.7	Very low	36.8	Very low	242 Å²	242	169.6 Å²	169.6	91%	0.913	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-64	144.3	176.7	-59.1	163	172	161.4	-5.6	111
602	L	38.9	Very low	37	Very low	177 Å²	177	166.7 Å²	166.7	93%	0.927	83%	0.831	S	S	*	*			trans	-160.9	166.4	139.8	-106.6	156	0	0	0	111.5
603	K	41.5	Very low	37.1	Very low	196 Å²	196	169.6 Å²	169.6	85%	0.852	84%	0.836	S	S	*	*			trans	-99	152.9	-157	-70.1	177.5	179.3	174.2	0	114
604	P	36.9	Very low	36.7	Very low	120 Å²	120	172.7 Å²	172.7	78%	0.779	84%	0.837	S	S	*	*			trans	-86	145	-175.6	33.6	-36	0	0	0	114.3
605	S	36	Very low	36.7	Very low	105 Å²	105	169.1 Å²	169.1	73%	0.734	84%	0.836	S	S	*	*			trans	-162.8	126.9	152.3	-96.1	0	0	0	0	116.4
606	R	35.8	Very low	36.5	Very low	216 Å²	216	170.5 Å²	170.5	82%	0.815	83%	0.833	S	S	*	*			trans	68.1	105.7	136.7	-62.9	177.2	178.2	-169.8	-1.7	120.9
607	R	36.5	Very low	36.7	Very low	244 Å²	244	166.1 Å²	166.1	92%	0.921	82%	0.823	S	S	*	*				53.3	119.9	126.9	-67.8	-177.3	172.1	-176.3	-3.4	119.2
608	L	37	Very low	36.4	Very low	176 Å²	176	165.4 Å²	165.4	92%	0.921	82%	0.821	S	S	*	*				-137.2	161.3	120.5	-158.2	57.5	0	0	0	110.9
609	K	34.2	Very low	36.5	Very low	183 Å²	183	168.6 Å²	168.6	80%	0.796	82%	0.822	S	S	*	*			trans	-74.8	143.3	-172.5	-56.6	171.9	-179.7	175.9	0	112.3
610	K	41	Very low	36.6	Very low	205 Å²	205	164.9 Å²	164.9	89%	0.891	81%	0.809	S	S	*	*			trans	-142.7	138.7	139.3	-100.3	-177.9	179.3	-179.9	0	108.4
611	N	31.3	Very low	36.6	Very low	143 Å²	143	165.2 Å²	165.2	77%	0.765	80%	0.803	S	S	*	*			trans	-88.5	132	-178.3	-62	-5.3	0	0	0	109.6
612	T	38.9	Very low	36.9	Very low	126 Å²	126	158 Å²	158	77%	0.773	79%	0.786	S	S	*	*			trans	-138.5	88.8	168.8	43.3	0	0	0	0	109.1	Y614	T612-Y614 VanDerWaalsContact C-N 3.33Å; T612-Y614 PolarHBondContact O-N 2.84Å
613	T	38.4	Very low	36.8	Very low	127 Å²	127	151.4 Å²	151.4	78%	0.779	76%	0.762	S	S	*	*			trans	-82.5	78.5	178.8	-40.6	0	0	0	0	109.6
614	Y	32.9	Very low	36.8	Very low	224 Å²	224	146.1 Å²	146.1	88%	0.878	75%	0.746	S	S	*	*			trans	-135.1	33.6	-175.5	-108.4	-75	0	0	0	112.4	T612	T612-Y614 VanDerWaalsContact C-N 3.33Å; T612-Y614 PolarHBondContact O-N 2.84Å
615	D	35.1	Very low	37.3	Very low	157 Å²	157	144.6 Å²	144.6	84%	0.84	73%	0.73	S	S	*	*	S	Bend	trans	-152	61.4	-176.5	-137.3	-14.6	0	0	0	112.6
616	Q	38.5	Very low	37.8	Very low	162 Å²	162	144.4 Å²	144.4	76%	0.757	72%	0.721	S	S	*	*	S	Bend	trans	-148.9	-7.8	175.6	-133.6	171.5	4.1	0	0	116.1
617	V	37.8	Very low	38.5	Very low	119 Å²	119	140.8 Å²	140.8	72%	0.721	71%	0.713	S	S	*	*	S	Bend	trans	-84.1	-35.4	-178.3	-177.6	0	0	0	0	112.3	K619	V617-K619 PolarHBondContact O-N 2.99Å; V617-K619 VanDerWaalsContact O-N 3.07Å
618	N	34.5	Very low	39	Very low	142 Å²	142	135.2 Å²	135.2	76%	0.759	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	22.5	-176.4	-77.6	5.8	0	0	0	114.8
619	K	36.6	Very low	39.4	Very low	175 Å²	175	132.6 Å²	132.6	76%	0.761	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125	-0.5	-177.4	-131.9	172.8	-174	174.6	0	116	V617	V617-K619 PolarHBondContact O-N 2.99Å; V617-K619 VanDerWaalsContact O-N 3.07Å
620	T	35.1	Very low	40.1	Very low	108 Å²	108	126.3 Å²	126.3	66%	0.663	66%	0.661	S	S	*	*	S	Bend	trans	-95.5	-26.4	176.3	-39.3	0	0	0	0	112.2	T622 G623	T620-T622 VanDerWaalsContact C-N 3.32Å; T620-T622 PolarHBondContact O-N 3.45Å; T620-G623 PolarHBondContact O-N 3.26Å
621	I	39.2	Very low	40.3	Very low	122 Å²	122	123 Å²	123	63%	0.626	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-19.6	-175.5	-61.2	173.8	0	0	0	112.4
622	T	38.9	Very low	40.8	Very low	90 Å²	90	122.7 Å²	122.7	55%	0.552	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-2.7	178.8	56.3	0	0	0	0	114.2	T620	T620-T622 VanDerWaalsContact C-N 3.32Å; T620-T622 PolarHBondContact O-N 3.45Å
623	G	36.5	Very low	41.3	Very low	40 Å²	40	119.6 Å²	119.6	41%	0.412	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.9	-43.1	-178.1	0	0	0	0	0	113.8	T620 I625 D626	T620-G623 PolarHBondContact O-N 3.26Å; G623-I625 VanDerWaalsContact C-N 3.29Å; G623-I625 PolarHBondContact O-N 2.77Å; G623-D626 PolarHBondContact O-N 2.76Å
624	T	42.2	Very low	41.8	Very low	85 Å²	85	119.4 Å²	119.4	52%	0.521	62%	0.622	S	S	.	*	H	α-helix	trans	-67.5	-28.5	-174.3	54.5	0	0	0	0	113.4	D626 E627 E628	T624-D626 PolarHBondContact O-N 2.95Å; T624-E627 PolarHBondContact O-N 3.34Å; T624-E628 WeakPolarHBondContact O-CB 3.18Å; T624-E628 PolarHBondContact O-N 3.16Å
625	I	46.2	Very low	42.3	Very low	88 Å²	88	115.5 Å²	115.5	45%	0.451	62%	0.616	S	S	.	*	H	α-helix	trans	-68.9	-18.8	-176.8	-58.1	173.3	0	0	0	112	G623 K629	G623-I625 VanDerWaalsContact C-N 3.29Å; G623-I625 PolarHBondContact O-N 2.77Å; I625-K629 VanDerWaalsContact O-CD 3.32Å; I625-K629 WeakPolarHBondContact O-CD 3.44Å; I625-K629 WeakPolarHBondContact O-CE 3.38Å; I625-K629 WeakPolarHBondContact O-CG 3.47Å; I625-K629 PolarHBondContact O-NZ 2.61Å
626	D	46.5	Very low	43	Very low	101 Å²	101	113.6 Å²	113.6	54%	0.54	61%	0.61	S	S	.	*	H	α-helix	trans	-99.2	-27.6	177	-70.2	-30.7	0	0	0	113	G623 T624 K629 A630	G623-D626 PolarHBondContact O-N 2.76Å; T624-D626 PolarHBondContact O-N 2.95Å; D626-K629 IonicContact OD1-NZ 2.86Å; D626-K629 PolarHBondContact OD1-NZ 3.32Å; D626-A630 PolarHBondContact O-N 2.88Å
627	E	50.4	Low	43.4	Very low	140 Å²	140	116 Å²	116	65%	0.654	63%	0.626	S	S	*	*	H	α-helix	trans	-69	-40.6	168.3	-68.3	-174.1	137.8	0	0	112	T624 K629 A630 L631	T624-E627 PolarHBondContact O-N 3.34Å; E627-K629 PolarHBondContact O-N 3.13Å; E627-A630 PolarHBondContact O-N 2.04Å; E627-L631 PolarHBondContact O-N 3.09Å
628	E	48.1	Very low	43.7	Very low	127 Å²	127	115.8 Å²	115.8	59%	0.593	62%	0.622	S	S	*	*	H	α-helix	trans	-63.3	-27.3	177.7	-167.8	171.5	-143.5	0	0	112.4	T624 F632	T624-E628 WeakPolarHBondContact O-CB 3.18Å; T624-E628 PolarHBondContact O-N 3.16Å; E628-F632 PolarHBondContact O-N 2.88Å
629	K	45.9	Very low	44.2	Very low	120 Å²	120	114.4 Å²	114.4	52%	0.522	61%	0.614	S	S	.	*	H	α-helix	trans	-73.9	-35.5	172.3	-69.9	167.7	-163.8	152.9	0	113.1	I625 D626 E627 F632 S633	I625-K629 VanDerWaalsContact O-CD 3.32Å; I625-K629 WeakPolarHBondContact O-CD 3.44Å; I625-K629 WeakPolarHBondContact O-CE 3.38Å; I625-K629 WeakPolarHBondContact O-CG 3.47Å; I625-K629 PolarHBondContact O-NZ 2.61Å; D626-K629 IonicContact OD1-NZ 2.86Å; D626-K629 PolarHBondContact OD1-NZ 3.32Å; E627-K629 PolarHBondContact O-N 3.13Å; K629-F632 PolarHBondContact O-N 2.89Å; K629-S633 PolarHBondContact O-N 3.02Å; K629-S633 VanDerWaalsContact O-N 3.08Å; K629-S633 PolarHBondContact O-OG 2.84Å
630	A	47.2	Very low	44.6	Very low	51 Å²	51	111.1 Å²	111.1	42%	0.421	61%	0.606	S	S	.	*	H	α-helix	trans	-68.4	-43.4	179.5	0	0	0	0	0	111.2	D626 E627 F632 S633 D634	D626-A630 PolarHBondContact O-N 2.88Å; E627-A630 PolarHBondContact O-N 2.04Å; A630-F632 PolarHBondContact O-N 2.96Å; A630-S633 PolarHBondContact O-N 2.97Å; A630-S633 VanDerWaalsContact O-N 3.15Å; A630-S633 PolarHBondContact O-OG 3.28Å; A630-D634 PolarHBondContact O-N 2.9Å
631	L	45.8	Very low	45.2	Very low	135 Å²	135	111.2 Å²	111.2	71%	0.707	60%	0.603	S	S	*	*	H	α-helix	trans	-63	-29.8	173.5	-76	167.5	0	0	0	112.8	E627	E627-L631 PolarHBondContact O-N 3.09Å
632	F	42.7	Very low	45.6	Very low	138 Å²	138	110.6 Å²	110.6	61%	0.605	60%	0.601	S	S	*	*	H	α-helix	trans	-81.6	-16.3	174.5	-102.8	-80.3	0	0	0	114.8	E628 K629 A630 V636	E628-F632 PolarHBondContact O-N 2.88Å; K629-F632 PolarHBondContact O-N 2.89Å; A630-F632 PolarHBondContact O-N 2.96Å; F632-V636 VanDerWaalsContact O-CG2 3.25Å; F632-V636 WeakPolarHBondContact O-CG2 3.42Å
633	S	49.1	Very low	46	Very low	61 Å²	61	111.9 Å²	111.9	43%	0.427	61%	0.605	S	S	.	*	H	α-helix	trans	-80.2	-36.9	171.2	47.6	0	0	0	0	112.5	K629 A630 L635 V636	K629-S633 PolarHBondContact O-N 3.02Å; K629-S633 VanDerWaalsContact O-N 3.08Å; K629-S633 PolarHBondContact O-OG 2.84Å; A630-S633 PolarHBondContact O-N 2.97Å; A630-S633 VanDerWaalsContact O-N 3.15Å; A630-S633 PolarHBondContact O-OG 3.28Å; S633-L635 PolarHBondContact O-N 2.6Å; S633-V636 PolarHBondContact O-N 3.45Å
634	D	49.3	Very low	46.7	Very low	123 Å²	123	117.1 Å²	117.1	66%	0.658	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-7.3	-177.4	-67	0.7	0	0	0	113.1	A630	A630-D634 PolarHBondContact O-N 2.9Å
635	L	43.5	Very low	47	Very low	142 Å²	142	119.5 Å²	119.5	74%	0.743	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	5.3	173.1	-148.7	82.8	0	0	0	113.5	S633	S633-L635 PolarHBondContact O-N 2.6Å
636	V	49.6	Very low	47.1	Very low	117 Å²	117	122.2 Å²	122.2	71%	0.709	64%	0.64	S	S	*	*			trans	-125.7	0.8	-174.4	176.1	0	0	0	0	112.1	F632 S633	F632-V636 VanDerWaalsContact O-CG2 3.25Å; F632-V636 WeakPolarHBondContact O-CG2 3.42Å; S633-V636 PolarHBondContact O-N 3.45Å
637	L	47.4	Very low	47.2	Very low	211 Å²	211	124.1 Å²	124.1	100%	1.105	65%	0.65	S	S	*	*			trans	-94.9	0	167.8	-89.3	163.1	0	0	0	111.3

Retrieved 637 of 637 residues in 80.7 ms (Link to these results)

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