A0A087WVJ0_HUMAN Loading...

Mucin-1

AlphaFold DB , UniProt , Accession A0A087WVJ0, Species HUMAN (Homo sapiens, Human), Gene MUC1, Length 228 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	A	37.5	Very low	38.5	Very low	161 Å²	161	127.2 Å²	127.2	100%	1.331	80%	0.798	S	S	*	*				0	133.2	0	0	0	0	0	0	107.6
2	S	34.5	Very low	38.4	Very low	113 Å²	113	130.7 Å²	130.7	79%	0.79	81%	0.806	S	S	*	*			cis	-154.3	141.1	-12	-173.5	0	0	0	0	104.9
3	S	32.3	Very low	38.1	Very low	96 Å²	96	130.8 Å²	130.8	67%	0.671	81%	0.806	S	S	*	*			trans	-70.6	140.6	173.1	173.4	0	0	0	0	110.5
4	T	36.1	Very low	38.2	Very low	134 Å²	134	128.3 Å²	128.3	82%	0.822	80%	0.796	S	S	*	*			trans	-143.3	87.7	161.8	-25.7	0	0	0	0	109
5	H	38.5	Very low	37.6	Very low	162 Å²	162	126.9 Å²	126.9	75%	0.75	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-92.2	136.8	161.9	-80.9	-90.1	0	0	0	109.5
6	H	39.7	Very low	37.6	Very low	159 Å²	159	128 Å²	128	74%	0.736	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-71.3	140	-171.3	42.7	-84.9	0	0	0	112.6
7	S	35.5	Very low	37.5	Very low	108 Å²	108	128.9 Å²	128.9	76%	0.755	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-56.8	139.3	171.6	-73.7	0	0	0	0	113.1
8	T	37.7	Very low	37.2	Very low	131 Å²	131	127.9 Å²	127.9	80%	0.804	78%	0.784	S	S	*	*			trans	-136.1	111.6	145	-62.8	0	0	0	0	107.3	P10	T8-P10 WeakPolarHBondContact O-CD 3.23Å
9	V	46.1	Very low	37.3	Very low	119 Å²	119	126.5 Å²	126.5	72%	0.721	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-81.2	126.4	178.1	175.6	0	0	0	0	108.6
10	P	45.8	Very low	37.3	Very low	102 Å²	102	124.6 Å²	124.6	66%	0.662	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-90.1	145.9	158.3	-1.5	20.7	0	0	0	110.3	T8	T8-P10 WeakPolarHBondContact O-CD 3.23Å
11	P	39.3	Very low	37.4	Very low	114 Å²	114	124.3 Å²	124.3	74%	0.74	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-70	132.5	-175.1	28	-32.7	0	0	0	112	T13	P11-T13 PolarHBondContact O-N 3.22Å; P11-T13 VanDerWaalsContact O-N 3.14Å
12	L	37.3	Very low	37.5	Very low	169 Å²	169	125 Å²	125	89%	0.885	74%	0.743	S	S	*	*			trans	-60.7	108.8	162.2	-89.5	73.6	0	0	0	108.9
13	T	35.2	Very low	37.8	Very low	132 Å²	132	126 Å²	126	81%	0.81	74%	0.739	S	S	*	*			trans	-110.7	95	151.1	29.9	0	0	0	0	107.3	P11 S15	P11-T13 PolarHBondContact O-N 3.22Å; P11-T13 VanDerWaalsContact O-N 3.14Å; T13-S15 PolarHBondContact O-N 2.85Å; T13-S15 VanDerWaalsContact O-N 3.12Å
14	S	38.7	Very low	38.5	Very low	96 Å²	96	126.3 Å²	126.3	67%	0.671	74%	0.742	S	S	*	*			trans	-64.1	102.1	165.8	177.1	0	0	0	0	108.1
15	S	30.4	Very low	39.7	Very low	108 Å²	108	123 Å²	123	76%	0.755	72%	0.721	S	S	*	*			trans	-105.2	85	150.5	63	0	0	0	0	106.8	T13 H17	T13-S15 PolarHBondContact O-N 2.85Å; T13-S15 VanDerWaalsContact O-N 3.12Å; S15-H17 PolarHBondContact O-N 3.1Å
16	N	37.2	Very low	41.5	Very low	144 Å²	144	116 Å²	116	77%	0.77	69%	0.692	S	S	*	*			trans	-62.4	78.2	156.3	-78.5	-5.1	0	0	0	107.6	S18	N16-S18 PolarHBondContact O-N 3.39Å
17	H	36.1	Very low	43.7	Very low	144 Å²	144	110.4 Å²	110.4	67%	0.667	67%	0.669	S	S	*	*			trans	-73	93.9	155.7	-169.3	-86.7	0	0	0	104.7	S15 T19	S15-H17 PolarHBondContact O-N 3.1Å; H17-T19 PolarHBondContact ND1-N 2.91Å; H17-T19 PolarHBondContact O-N 3.2Å; H17-T19 PolarHBondContact O-OG1 2.84Å
18	S	32.1	Very low	46.2	Very low	110 Å²	110	106.2 Å²	106.2	77%	0.769	64%	0.64	S	S	*	*			trans	-59.6	86.9	157.7	-70	0	0	0	0	106.5	N16 S20	N16-S18 PolarHBondContact O-N 3.39Å; S18-S20 PolarHBondContact O-N 2.89Å
19	T	38.3	Very low	48.6	Very low	101 Å²	101	103.4 Å²	103.4	62%	0.62	62%	0.617	S	S	*	*			trans	-61.8	96.6	159.8	-13.5	0	0	0	0	104.1	H17	H17-T19 PolarHBondContact ND1-N 2.91Å; H17-T19 PolarHBondContact O-N 3.2Å; H17-T19 PolarHBondContact O-OG1 2.84Å
20	S	36.9	Very low	50.8	Low	89 Å²	89	98 Å²	98	62%	0.622	58%	0.583	S	S	*	*			trans	-36.9	135.1	149.1	178.3	0	0	0	0	107.1	S18 Q22	S18-S20 PolarHBondContact O-N 2.89Å; S20-Q22 PolarHBondContact O-N 2.96Å
21	P	41	Very low	53	Low	119 Å²	119	96.5 Å²	96.5	77%	0.773	57%	0.567	S	S	*	*			trans	-62.1	91.2	170.2	26.5	-30.6	0	0	0	106.1	L23	P21-L23 PolarHBondContact O-N 3.36Å
22	Q	38.7	Very low	55.5	Low	174 Å²	174	91 Å²	91	81%	0.813	53%	0.531	S	S	*	.			trans	-64.2	100.3	168.3	-168.1	173.2	10.9	0	0	102.6	S20 S24	S20-Q22 PolarHBondContact O-N 2.96Å; Q22-S24 PolarHBondContact O-N 2.8Å
23	L	41.7	Very low	58.2	Low	135 Å²	135	83.9 Å²	83.9	71%	0.707	50%	0.496	S	S	*	.			trans	-64.2	76.2	176.6	-168.6	86.1	0	0	0	106.6	P21 T25	P21-L23 PolarHBondContact O-N 3.36Å; L23-T25 PolarHBondContact O-N 3.33Å
24	S	46.8	Very low	60.9	Low	103 Å²	103	77.6 Å²	77.6	72%	0.72	46%	0.457	S	S	*	.			trans	-62.1	96.6	163	-165.1	0	0	0	0	103.8	Q22 G26	Q22-S24 PolarHBondContact O-N 2.8Å; S24-G26 PolarHBondContact O-N 2.86Å
25	T	59.8	Low	63.5	Low	65 Å²	65	75.1 Å²	75.1	40%	0.399	44%	0.435	S	S	.	.			trans	-75.3	75.9	172.3	-61.6	0	0	0	0	105.1	L23 R95	L23-T25 PolarHBondContact O-N 3.33Å; T25-R95 PolarHBondContact OG1-NH1 3.42Å
26	G	76.6	Confident	66.3	Low	13 Å²	13	70 Å²	70	13%	0.134	40%	0.399	C	S	.	.			trans	-63.9	154.2	170.3	0	0	0	0	0	109.7	S24 E96	S24-G26 PolarHBondContact O-N 2.86Å; G26-E96 VanDerWaalsContact C-CB 3.4Å; G26-E96 WeakPolarHBondContact CA-OE2 3.31Å; G26-E96 WeakPolarHBondContact O-CB 3.45Å; G26-E96 PolarHBondContact O-N 3.02Å
27	V	86.3	Confident	68.8	Low	43 Å²	43	66 Å²	66	26%	0.261	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126	179.4	177.9	0	0	0	0	107.4	F29 L74 A93 F94 F133	V27-F29 HydrophobicContact CB-CE2 4.25Å; V27-F29 HydrophobicContact CB-CZ 4.26Å; V27-F29 HydrophobicContact CG1-CD1 4.45Å; V27-F29 HydrophobicContact CG1-CD2 4.43Å; V27-F29 HydrophobicContact CG1-CE1 3.89Å; V27-F29 HydrophobicContact CG1-CE2 3.85Å; V27-F29 HydrophobicContact CG1-CZ 3.56Å; V27-L74 HydrophobicContact CB-CD1 4.27Å; V27-L74 HydrophobicContact CG1-CD1 3.82Å; V27-L74 HydrophobicContact CG2-CD1 3.58Å; V27-A93 HydrophobicContact CG1-CB 4.07Å; V27-F94 CarbonylContact C-O 3.58Å; V27-F94 VanDerWaalsContact CA-O 3.29Å; V27-F94 WeakPolarHBondContact CA-O 3.44Å; V27-F94 WeakPolarHBondContact CG1-O 3.33Å; V27-F133 VanDerWaalsContact O-CZ 3.24Å; V27-F133 WeakPolarHBondContact O-CZ 3.49Å
28	S	87.3	Confident	71.3	Confident	20 Å²	20	61.9 Å²	61.9	14%	0.14	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	139.1	172.7	-61.1	0	0	0	0	110.1	F94 E96	S28-F94 PolarHBondContact N-O 3.49Å; S28-F94 PolarHBondContact O-N 2.76Å; S28-E96 WeakPolarHBondContact OG-CA 3.46Å
29	F	89.5	Confident	73.9	Confident	71 Å²	71	58.3 Å²	58.3	31%	0.311	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.8	179.6	-62.9	-81.6	0	0	0	111.2	V27 T91 L92 A93 V131 F133	V27-F29 HydrophobicContact CB-CE2 4.25Å; V27-F29 HydrophobicContact CB-CZ 4.26Å; V27-F29 HydrophobicContact CG1-CD1 4.45Å; V27-F29 HydrophobicContact CG1-CD2 4.43Å; V27-F29 HydrophobicContact CG1-CE1 3.89Å; V27-F29 HydrophobicContact CG1-CE2 3.85Å; V27-F29 HydrophobicContact CG1-CZ 3.56Å; F29-T91 HydrophobicContact CB-CG2 4.04Å; F29-T91 HydrophobicContact CD1-CG2 3.98Å; F29-T91 HydrophobicContact CG-CG2 4.43Å; F29-L92 CarbonylContact C-O 3.48Å; F29-L92 VanDerWaalsContact CA-O 3.28Å; F29-L92 WeakPolarHBondContact CA-O 3.38Å; F29-A93 HydrophobicContact CD1-CB 3.86Å; F29-A93 HydrophobicContact CE1-CB 3.7Å; F29-V131 HydrophobicContact CB-CB 4.21Å; F29-V131 HydrophobicContact CB-CG2 4.24Å; F29-V131 PolarHBondContact O-N 2.84Å; F29-V131 VanDerWaalsContact O-N 3.14Å; F29-F133 AromaticContact CD2-CE1 3.82Å; F29-F133 HydrophobicContact CD2-CE1 3.82Å; F29-F133 HydrophobicContact CD2-CZ 4.33Å; F29-F133 HydrophobicContact CE2-CE1 4.2Å
30	F	90.9	Very high	76.2	Confident	5 Å²	5	61.8 Å²	61.8	2%	0.022	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.1	177.8	-57.1	-86.1	0	0	0	109.7	T91 L92 F94 I99 V101 V104 V128 D130	F30-T91 CarbonylContact O-C 3.59Å; F30-T91 WeakPolarHBondContact O-CA 3.42Å; F30-L92 HydrophobicContact CB-CB 4.46Å; F30-L92 PolarHBondContact N-O 3.03Å; F30-L92 PolarHBondContact O-N 3.02Å; F30-F94 AromaticContact CD2-CD2 3.6Å; F30-F94 HydrophobicContact CD2-CD2 3.6Å; F30-F94 AromaticContact CD2-CE2 3.99Å; F30-F94 HydrophobicContact CD2-CE2 3.99Å; F30-F94 HydrophobicContact CE2-CB 4.4Å; F30-F94 AromaticContact CE2-CD2 3.73Å; F30-F94 HydrophobicContact CE2-CD2 3.73Å; F30-F94 HydrophobicContact CE2-CE2 4.39Å; F30-F94 HydrophobicContact CE2-CG 4.39Å; F30-I99 HydrophobicContact CE2-CG2 3.75Å; F30-I99 HydrophobicContact CZ-CG2 4.09Å; F30-I99 WeakPolarHBondContact CZ-O 3.29Å; F30-V101 HydrophobicContact CD1-CG2 3.88Å; F30-V101 HydrophobicContact CE1-CG2 3.81Å; F30-V104 HydrophobicContact CD2-CG2 4.21Å; F30-V104 HydrophobicContact CE2-CG2 4.36Å; F30-V104 HydrophobicContact CG-CG2 4.3Å; F30-V128 HydrophobicContact CB-CG1 4.37Å; F30-D130 WeakPolarHBondContact CD1-OD1 3.35Å; F30-D130 WeakPolarHBondContact CE1-OD1 3.38Å
31	F	91.9	Very high	78.7	Confident	71 Å²	71	59.8 Å²	59.8	31%	0.311	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.3	170.4	-173.8	-102.4	0	0	0	108.6	Q89 V128 S129 V131	F31-Q89 HydrophobicContact CE2-CB 4.09Å; F31-Q89 HydrophobicContact CZ-CB 3.77Å; F31-Q89 HydrophobicContact CZ-CG 3.83Å; F31-V128 WeakPolarHBondContact O-CA 3Å; F31-S129 PolarHBondContact N-O 2.67Å; F31-S129 PolarHBondContact O-N 3.2Å; F31-V131 HydrophobicContact CB-CG2 3.88Å
32	L	93.1	Very high	81.1	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.8	179.6	-176.5	146.5	0	0	0	109.1	F34 F64 L90 L92 V104 F108 S127 V128	L32-F34 HydrophobicContact CD2-CD1 3.35Å; L32-F34 HydrophobicContact CD2-CE1 3.66Å; L32-F64 HydrophobicContact CD1-CE1 4.16Å; L32-F64 HydrophobicContact CD1-CZ 4.37Å; L32-F64 HydrophobicContact CD2-CE1 4.14Å; L32-F64 HydrophobicContact CD2-CZ 3.62Å; L32-L90 HydrophobicContact CB-CD1 3.95Å; L32-L90 HydrophobicContact CB-CG 4.48Å; L32-L90 HydrophobicContact CD2-CD1 4.13Å; L32-L90 HydrophobicContact CD2-CD2 4.38Å; L32-L90 HydrophobicContact CD2-CG 4.16Å; L32-L90 PolarHBondContact N-O 3.1Å; L32-L90 PolarHBondContact O-N 2.87Å; L32-L92 HydrophobicContact CB-CD1 4.38Å; L32-L92 HydrophobicContact CD1-CD1 3.99Å; L32-V104 HydrophobicContact CD1-CG1 4.24Å; L32-F108 HydrophobicContact CD1-CD2 4.49Å; L32-F108 HydrophobicContact CD1-CG 4.37Å; L32-S127 WeakPolarHBondContact CA-O 3.41Å; L32-V128 HydrophobicContact CD1-CG2 3.78Å; L32-V128 HydrophobicContact CG-CG2 4.17Å
33	S	93.1	Very high	83.5	Confident	19 Å²	19	52.9 Å²	52.9	13%	0.133	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134	179.4	-171.3	0	0	0	0	109.5	V88 V126 S127	S33-V88 VanDerWaalsContact CA-O 3.27Å; S33-V88 WeakPolarHBondContact CA-O 3.21Å; S33-V126 WeakPolarHBondContact O-CA 3.45Å; S33-S127 PolarHBondContact N-O 3.25Å; S33-S127 PolarHBondContact O-N 2.83Å
34	F	92.8	Very high	85.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	160.7	175	64.2	-84.1	0	0	0	112.4	L32 I36 I60 M63 F64 V87 V88 L90 F108 I123 D125 V126	L32-F34 HydrophobicContact CD2-CD1 3.35Å; L32-F34 HydrophobicContact CD2-CE1 3.66Å; F34-I36 HydrophobicContact CD2-CG1 4.09Å; F34-I36 HydrophobicContact CE2-CD1 4.04Å; F34-I36 HydrophobicContact CE2-CG1 3.74Å; F34-I60 HydrophobicContact CZ-CG2 4.37Å; F34-M63 HydrophobicContact CZ-CE 4.39Å; F34-F64 AromaticContact CE1-CE2 3.88Å; F34-F64 HydrophobicContact CE1-CE2 3.88Å; F34-F64 AromaticContact CE1-CZ 3.94Å; F34-F64 HydrophobicContact CE1-CZ 3.94Å; F34-F64 HydrophobicContact CZ-CE2 4.09Å; F34-V87 CarbonylContact O-C 3.59Å; F34-V87 WeakPolarHBondContact O-CA 3.35Å; F34-V88 HydrophobicContact CD1-CB 4.06Å; F34-V88 HydrophobicContact CD2-CB 4.27Å; F34-V88 HydrophobicContact CD2-CG2 4.23Å; F34-V88 HydrophobicContact CE1-CB 3.65Å; F34-V88 HydrophobicContact CE1-CG1 3.73Å; F34-V88 HydrophobicContact CE1-CG2 4.32Å; F34-V88 HydrophobicContact CE2-CB 3.87Å; F34-V88 HydrophobicContact CE2-CG1 4.49Å; F34-V88 HydrophobicContact CE2-CG2 3.65Å; F34-V88 HydrophobicContact CG-CB 4.39Å; F34-V88 HydrophobicContact CZ-CB 3.56Å; F34-V88 HydrophobicContact CZ-CG1 3.71Å; F34-V88 HydrophobicContact CZ-CG2 3.71Å; F34-V88 PolarHBondContact N-O 3.15Å; F34-V88 PolarHBondContact O-N 3.27Å; F34-L90 HydrophobicContact CE1-CD2 4.01Å; F34-F108 HydrophobicContact CB-CE1 4.44Å; F34-F108 HydrophobicContact CD1-CE1 4.46Å; F34-F108 HydrophobicContact CD1-CZ 4.03Å; F34-F108 HydrophobicContact CD2-CZ 4.43Å; F34-F108 HydrophobicContact CE1-CZ 4.15Å; F34-F108 HydrophobicContact CG-CE1 4.36Å; F34-F108 HydrophobicContact CG-CZ 4.15Å; F34-F108 HydrophobicContact CZ-CZ 4.4Å; F34-I123 HydrophobicContact CB-CG2 3.91Å; F34-I123 HydrophobicContact CD2-CB 4.39Å; F34-I123 HydrophobicContact CD2-CG1 4.09Å; F34-I123 HydrophobicContact CD2-CG2 3.55Å; F34-I123 HydrophobicContact CE2-CD1 4.39Å; F34-I123 HydrophobicContact CE2-CG1 4.12Å; F34-I123 HydrophobicContact CE2-CG2 4.36Å; F34-I123 HydrophobicContact CG-CG2 3.96Å; F34-D125 WeakPolarHBondContact CA-O 3.45Å; F34-V126 HydrophobicContact CB-CG2 3.98Å
35	H	92.3	Very high	88.1	Confident	44 Å²	44	43.5 Å²	43.5	20%	0.204	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.9	177.5	-76.4	-109	0	0	0	111.7	G84 V87 I123 S124 D125	H35-G84 PolarHBondContact CE1-O 2.84Å; H35-G84 VanDerWaalsContact CE1-O 3.22Å; H35-G84 PolarHBondContact ND1-O 3.41Å; H35-V87 WeakPolarHBondContact CE1-CG2 3.44Å; H35-I123 CarbonylContact O-C 3.49Å; H35-I123 WeakPolarHBondContact O-CA 3.37Å; H35-S124 WeakPolarHBondContact CB-OG 3.29Å; H35-S124 PolarHBondContact N-O 2.83Å; H35-S124 PolarHBondContact O-N 2.84Å; H35-S124 PolarHBondContact O-OG 2.84Å; H35-D125 HydrophobicContact CB-CB 4.5Å; H35-D125 IonicContact CD2-OD2 2.74Å; H35-D125 IonicContact NE2-OD2 3.28Å
36	I	91	Very high	89.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	104.1	169.6	-58.5	171.9	0	0	0	108.3	F34 N38 L39 I60 S85 V86 V88 L121 T122	F34-I36 HydrophobicContact CD2-CG1 4.09Å; F34-I36 HydrophobicContact CE2-CD1 4.04Å; F34-I36 HydrophobicContact CE2-CG1 3.74Å; I36-N38 WeakPolarHBondContact CG2-OD1 3.36Å; I36-L39 HydrophobicContact CG2-CB 3.95Å; I36-L39 HydrophobicContact CG2-CD1 3.91Å; I36-L39 HydrophobicContact CG2-CG 3.8Å; I36-I60 HydrophobicContact CD1-CD1 4.1Å; I36-S85 CarbonylContact C-O 3.25Å; I36-S85 PolarHBondContact N-O 3.19Å; I36-S85 VanDerWaalsContact N-O 3.1Å; I36-S85 CarbonylContact O-C 3.49Å; I36-S85 VanDerWaalsContact O-C 3.25Å; I36-S85 VanDerWaalsContact O-O 3.05Å; I36-V86 HydrophobicContact CB-CB 4.33Å; I36-V86 HydrophobicContact CD1-CG1 4.5Å; I36-V86 PolarHBondContact N-O 2.85Å; I36-V86 VanDerWaalsContact N-O 3.15Å; I36-V88 HydrophobicContact CD1-CG2 3.47Å; I36-V88 VanDerWaalsContact CD1-CG2 3.47Å; I36-V88 HydrophobicContact CG1-CG2 3.93Å; I36-L121 HydrophobicContact CD1-CD2 4.34Å; I36-L121 HydrophobicContact CG2-CD2 4.06Å; I36-T122 WeakPolarHBondContact CA-O 3.4Å
37	S	88	Confident	90.3	Very high	59 Å²	59	49.8 Å²	49.8	41%	0.413	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-22.7	-171.6	58.8	0	0	0	0	114.2	T122	S37-T122 PolarHBondContact N-O 3.48Å; S37-T122 WeakPolarHBondContact OG-CB 3.28Å; S37-T122 WeakPolarHBondContact OG-CG2 3.07Å; S37-T122 PolarHBondContact OG-O 3.03Å
38	N	88.6	Confident	90.5	Very high	58 Å²	58	51.2 Å²	51.2	31%	0.31	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-0.6	-178.8	73.4	-57.3	0	0	0	113.9	I36 N120 T122	I36-N38 WeakPolarHBondContact CG2-OD1 3.36Å; N38-N120 PolarHBondContact ND2-O 2.8Å; N38-T122 PolarHBondContact OD1-N 2.63Å
39	L	87.3	Confident	90.7	Very high	35 Å²	35	54 Å²	54	18%	0.183	30%	0.295	C	S	.	.	S	Bend	trans	-114.8	143.5	174.7	-66.1	-178.2	0	0	0	110.9	I36 L56 V86 L121	I36-L39 HydrophobicContact CG2-CB 3.95Å; I36-L39 HydrophobicContact CG2-CD1 3.91Å; I36-L39 HydrophobicContact CG2-CG 3.8Å; L39-L56 HydrophobicContact CD1-CD1 3.72Å; L39-L56 HydrophobicContact CD1-CD2 4.07Å; L39-V86 HydrophobicContact CB-CB 4.46Å; L39-V86 HydrophobicContact CB-CG2 3.87Å; L39-L121 HydrophobicContact CD1-CD2 3.82Å; L39-L121 HydrophobicContact CG-CD2 4.46Å
40	Q	87.5	Confident	91	Very high	174 Å²	174	52.2 Å²	52.2	81%	0.813	29%	0.289	S	S	*	.			trans	-98.7	138.7	171.9	-67.4	-175.2	19.4	0	0	109.8
41	F	88.4	Confident	91.3	Very high	48 Å²	48	58.4 Å²	58.4	21%	0.211	32%	0.323	C	S	.	.			trans	-69.9	136.1	175.4	-171.6	-92.9	0	0	0	110.3	L45 E46 F81 R82 P83 V86	F41-L45 HydrophobicContact CD2-CB 4.05Å; F41-L45 HydrophobicContact CD2-CD1 4.19Å; F41-L45 HydrophobicContact CE2-CB 3.75Å; F41-L45 HydrophobicContact CZ-CB 4.31Å; F41-E46 HydrophobicContact CE1-CG 3.65Å; F41-E46 HydrophobicContact CZ-CG 3.52Å; F41-F81 HydrophobicContact CD2-CB 4.49Å; F41-F81 HydrophobicContact CE2-CB 3.97Å; F41-R82 VanDerWaalsContact CD2-C 3.46Å; F41-R82 WeakPolarHBondContact CD2-O 3.45Å; F41-P83 HydrophobicContact CB-CB 4.45Å; F41-P83 HydrophobicContact CD1-CB 3.85Å; F41-P83 HydrophobicContact CE1-CB 4.26Å; F41-P83 HydrophobicContact CG-CB 4.08Å; F41-V86 HydrophobicContact CB-CG2 4.15Å; F41-V86 HydrophobicContact CD2-CG2 4.48Å
42	N	90.7	Very high	91.3	Very high	58 Å²	58	58.7 Å²	58.7	31%	0.31	32%	0.322	S	S	.	.			trans	-136.1	170.9	178.7	70.1	18.1	0	0	0	110.7	S44 L45 Y52	N42-S44 PolarHBondContact O-N 2.83Å; N42-S44 WeakPolarHBondContact OD1-CA 3.37Å; N42-S44 VanDerWaalsContact OD1-CB 3.3Å; N42-S44 WeakPolarHBondContact OD1-CB 3.48Å; N42-S44 PolarHBondContact OD1-N 2.87Å; N42-L45 PolarHBondContact O-N 3.39Å; N42-L45 VanDerWaalsContact O-N 3.1Å; N42-L45 WeakPolarHBondContact OD1-CG 3.3Å; N42-L45 PolarHBondContact OD1-N 2.94Å; N42-Y52 WeakPolarHBondContact ND2-CE1 3.43Å
43	S	91	Very high	91.4	Very high	89 Å²	89	59.3 Å²	59.3	62%	0.622	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-63.1	-24.2	179	53.2	0	0	0	0	113.6	L45 E46	S43-L45 VanDerWaalsContact C-N 3.3Å; S43-L45 PolarHBondContact O-N 3.42Å; S43-E46 WeakPolarHBondContact O-CB 3.44Å; S43-E46 PolarHBondContact O-N 2.88Å
44	S	92.2	Very high	91.4	Very high	40 Å²	40	63.2 Å²	63.2	28%	0.28	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-66.9	-34.2	174.9	-52	0	0	0	0	111.6	N42 E46 D47 T50	N42-S44 PolarHBondContact O-N 2.83Å; N42-S44 WeakPolarHBondContact OD1-CA 3.37Å; N42-S44 VanDerWaalsContact OD1-CB 3.3Å; N42-S44 WeakPolarHBondContact OD1-CB 3.48Å; N42-S44 PolarHBondContact OD1-N 2.87Å; S44-E46 PolarHBondContact O-N 2.93Å; S44-D47 PolarHBondContact O-N 2.97Å; S44-D47 VanDerWaalsContact O-O 3.06Å; S44-T50 PolarHBondContact O-OG1 3.21Å
45	L	91.8	Very high	91.5	Very high	1 Å²	1	68 Å²	68	1%	0.005	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-73.8	-6.4	175.8	-64.6	-179.1	0	0	0	113.9	F41 N42 S43 Y52 Y53 L56 F81 V86	F41-L45 HydrophobicContact CD2-CB 4.05Å; F41-L45 HydrophobicContact CD2-CD1 4.19Å; F41-L45 HydrophobicContact CE2-CB 3.75Å; F41-L45 HydrophobicContact CZ-CB 4.31Å; N42-L45 PolarHBondContact O-N 3.39Å; N42-L45 VanDerWaalsContact O-N 3.1Å; N42-L45 WeakPolarHBondContact OD1-CG 3.3Å; N42-L45 PolarHBondContact OD1-N 2.94Å; S43-L45 VanDerWaalsContact C-N 3.3Å; S43-L45 PolarHBondContact O-N 3.42Å; L45-Y52 HydrophobicContact CD1-CE1 3.97Å; L45-Y52 HydrophobicContact CD2-CD1 3.64Å; L45-Y52 HydrophobicContact CD2-CE1 3.7Å; L45-Y52 HydrophobicContact CG-CD1 3.86Å; L45-Y52 HydrophobicContact CG-CE1 3.72Å; L45-Y53 WeakPolarHBondContact O-CD2 3.5Å; L45-Y53 WeakPolarHBondContact O-CE2 3.35Å; L45-L56 HydrophobicContact CD1-CD2 4.21Å; L45-L56 HydrophobicContact CD2-CD2 3.74Å; L45-F81 HydrophobicContact CB-CB 4.11Å; L45-F81 HydrophobicContact CB-CD2 4.34Å; L45-F81 HydrophobicContact CB-CG 4.5Å; L45-F81 HydrophobicContact CD2-CD2 3.86Å; L45-F81 HydrophobicContact CD2-CE2 4.18Å; L45-F81 HydrophobicContact CD2-CG 4.38Å; L45-V86 HydrophobicContact CD1-CB 4.49Å; L45-V86 HydrophobicContact CD1-CG1 3.9Å; L45-V86 HydrophobicContact CD1-CG2 3.68Å
46	E	90.8	Very high	91.5	Very high	137 Å²	137	66.3 Å²	66.3	64%	0.64	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-83.2	-25.8	170.8	-63.8	176.6	-174	0	0	112.2	F41 S43 S44	F41-E46 HydrophobicContact CE1-CG 3.65Å; F41-E46 HydrophobicContact CZ-CG 3.52Å; S43-E46 WeakPolarHBondContact O-CB 3.44Å; S43-E46 PolarHBondContact O-N 2.88Å; S44-E46 PolarHBondContact O-N 2.93Å
47	D	91	Very high	91.6	Very high	73 Å²	73	69.7 Å²	69.7	39%	0.39	37%	0.372	S	S	.	.			trans	-114.1	110.5	-174.3	-176	-6.8	0	0	0	111.5	S44 S49 T50 Y53	S44-D47 PolarHBondContact O-N 2.97Å; S44-D47 VanDerWaalsContact O-O 3.06Å; D47-S49 PolarHBondContact O-N 3.06Å; D47-S49 VanDerWaalsContact O-N 3.08Å; D47-S49 VanDerWaalsContact OD1-CB 3.31Å; D47-S49 WeakPolarHBondContact OD1-CB 3.27Å; D47-S49 PolarHBondContact OD1-N 2.9Å; D47-S49 PolarHBondContact OD1-OG 2.86Å; D47-S49 PolarHBondContact OD2-OG 3.44Å; D47-T50 HydrophobicContact CB-CG2 3.88Å; D47-T50 WeakPolarHBondContact O-CG2 3.39Å; D47-T50 PolarHBondContact O-N 3.43Å; D47-T50 VanDerWaalsContact O-N 3.11Å; D47-T50 PolarHBondContact O-OG1 3.3Å; D47-Y53 WeakPolarHBondContact O-CB 3.28Å
48	P	91.3	Very high	91.9	Very high	73 Å²	73	73.1 Å²	73.1	47%	0.474	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.1	177.7	-22.7	33.5	0	0	0	115.4	T50 Y53 Q54	P48-T50 VanDerWaalsContact C-N 3.28Å; P48-Y53 HydrophobicContact CB-CD1 4.11Å; P48-Y53 HydrophobicContact CB-CE1 3.92Å; P48-Y53 HydrophobicContact CB-CE2 4.43Å; P48-Y53 HydrophobicContact CB-CG 4.49Å; P48-Y53 HydrophobicContact CG-CE1 4.33Å; P48-Y53 HydrophobicContact CG-CE2 4.12Å; P48-Q54 WeakPolarHBondContact O-CG 3.3Å; P48-Q54 PolarHBondContact O-NE2 2.84Å
49	S	92.7	Very high	92	Very high	80 Å²	80	72.4 Å²	72.4	56%	0.559	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.9	177.9	73.3	0	0	0	0	113.3	D47	D47-S49 PolarHBondContact O-N 3.06Å; D47-S49 VanDerWaalsContact O-N 3.08Å; D47-S49 VanDerWaalsContact OD1-CB 3.31Å; D47-S49 WeakPolarHBondContact OD1-CB 3.27Å; D47-S49 PolarHBondContact OD1-N 2.9Å; D47-S49 PolarHBondContact OD1-OG 2.86Å; D47-S49 PolarHBondContact OD2-OG 3.44Å
50	T	95.5	Very high	92.3	Very high	32 Å²	32	70.8 Å²	70.8	20%	0.196	36%	0.363	C	S	.	.	S	Bend	trans	-79.7	146	-178.8	69.9	0	0	0	0	112.3	S44 D47 P48 Y52 Y53 Q54	S44-T50 PolarHBondContact O-OG1 3.21Å; D47-T50 HydrophobicContact CB-CG2 3.88Å; D47-T50 WeakPolarHBondContact O-CG2 3.39Å; D47-T50 PolarHBondContact O-N 3.43Å; D47-T50 VanDerWaalsContact O-N 3.11Å; D47-T50 PolarHBondContact O-OG1 3.3Å; P48-T50 VanDerWaalsContact C-N 3.28Å; T50-Y52 VanDerWaalsContact C-N 3.25Å; T50-Y52 PolarHBondContact O-N 3.33Å; T50-Y53 PolarHBondContact O-N 3.45Å; T50-Y53 WeakPolarHBondContact OG1-CB 3.48Å; T50-Y53 PolarHBondContact OG1-N 2.89Å; T50-Q54 WeakPolarHBondContact O-CG 3.43Å; T50-Q54 PolarHBondContact O-N 3.22Å; T50-Q54 VanDerWaalsContact O-N 3.12Å
51	D	95.4	Very high	92.5	Very high	135 Å²	135	63.7 Å²	63.7	72%	0.722	33%	0.333	S	S	*	.	H	α-helix	trans	-58	-40.5	178.3	-61.7	-27.9	0	0	0	111.6	Y53 Q54 E55	D51-Y53 PolarHBondContact O-N 2.96Å; D51-Q54 PolarHBondContact O-N 3.27Å; D51-E55 WeakPolarHBondContact O-CB 3.47Å; D51-E55 PolarHBondContact O-N 2.94Å
52	Y	93.4	Very high	92.7	Very high	78 Å²	78	65.7 Å²	65.7	31%	0.306	34%	0.343	S	S	.	.	H	α-helix	trans	-65.1	-40.2	-179.5	-173.2	-117.9	0	0	0	112.8	N42 L45 T50 L56	N42-Y52 WeakPolarHBondContact ND2-CE1 3.43Å; L45-Y52 HydrophobicContact CD1-CE1 3.97Å; L45-Y52 HydrophobicContact CD2-CD1 3.64Å; L45-Y52 HydrophobicContact CD2-CE1 3.7Å; L45-Y52 HydrophobicContact CG-CD1 3.86Å; L45-Y52 HydrophobicContact CG-CE1 3.72Å; T50-Y52 VanDerWaalsContact C-N 3.25Å; T50-Y52 PolarHBondContact O-N 3.33Å; Y52-L56 WeakPolarHBondContact O-CB 3.49Å; Y52-L56 PolarHBondContact O-N 3.44Å; Y52-L56 VanDerWaalsContact O-N 3.1Å
53	Y	94	Very high	92.7	Very high	13 Å²	13	62.9 Å²	62.9	5%	0.051	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-47.2	173.6	-172.4	-71.9	0	0	0	110.8	L45 D47 P48 T50 D51 L56 Q57 I79 F81	L45-Y53 WeakPolarHBondContact O-CD2 3.5Å; L45-Y53 WeakPolarHBondContact O-CE2 3.35Å; D47-Y53 WeakPolarHBondContact O-CB 3.28Å; P48-Y53 HydrophobicContact CB-CD1 4.11Å; P48-Y53 HydrophobicContact CB-CE1 3.92Å; P48-Y53 HydrophobicContact CB-CE2 4.43Å; P48-Y53 HydrophobicContact CB-CG 4.49Å; P48-Y53 HydrophobicContact CG-CE1 4.33Å; P48-Y53 HydrophobicContact CG-CE2 4.12Å; T50-Y53 PolarHBondContact O-N 3.45Å; T50-Y53 WeakPolarHBondContact OG1-CB 3.48Å; T50-Y53 PolarHBondContact OG1-N 2.89Å; D51-Y53 PolarHBondContact O-N 2.96Å; Y53-L56 PolarHBondContact O-N 3.38Å; Y53-Q57 HydrophobicContact CD1-CB 4.4Å; Y53-Q57 HydrophobicContact CE1-CB 4.47Å; Y53-Q57 VanDerWaalsContact CE1-OE1 3.23Å; Y53-Q57 WeakPolarHBondContact O-CB 3.24Å; Y53-Q57 PolarHBondContact O-N 2.97Å; Y53-I79 PolarHBondContact OH-O 3.43Å; Y53-F81 HydrophobicContact CD1-CE2 4.05Å; Y53-F81 AromaticContact CD2-CD2 3.61Å; Y53-F81 HydrophobicContact CD2-CD2 3.61Å; Y53-F81 AromaticContact CD2-CE2 3.89Å; Y53-F81 HydrophobicContact CD2-CE2 3.89Å; Y53-F81 HydrophobicContact CE1-CD2 4.36Å; Y53-F81 AromaticContact CE1-CE2 3.93Å; Y53-F81 HydrophobicContact CE1-CE2 3.93Å; Y53-F81 AromaticContact CE2-CD2 3.35Å; Y53-F81 HydrophobicContact CE2-CD2 3.35Å; Y53-F81 AromaticContact CE2-CE2 3.77Å; Y53-F81 HydrophobicContact CE2-CE2 3.77Å; Y53-F81 HydrophobicContact CE2-CG 4.47Å; Y53-F81 HydrophobicContact CG-CD2 4.2Å; Y53-F81 HydrophobicContact CG-CE2 4Å; Y53-F81 AromaticContact CZ-CD2 3.75Å; Y53-F81 AromaticContact CZ-CE2 3.76Å
54	Q	94.6	Very high	92.7	Very high	100 Å²	100	58.7 Å²	58.7	47%	0.467	30%	0.298	S	S	.	.	H	α-helix	trans	-67.8	-39.2	-176.3	-68.2	177.9	16.3	0	0	112.4	P48 T50 D51 Q57 R58	P48-Q54 WeakPolarHBondContact O-CG 3.3Å; P48-Q54 PolarHBondContact O-NE2 2.84Å; T50-Q54 WeakPolarHBondContact O-CG 3.43Å; T50-Q54 PolarHBondContact O-N 3.22Å; T50-Q54 VanDerWaalsContact O-N 3.12Å; D51-Q54 PolarHBondContact O-N 3.27Å; Q54-Q57 PolarHBondContact O-N 3.32Å; Q54-R58 WeakPolarHBondContact O-CB 3.22Å; Q54-R58 PolarHBondContact O-N 3Å
55	E	93.5	Very high	92.5	Very high	100 Å²	100	61.2 Å²	61.2	47%	0.467	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-51	175.5	-176.2	167.9	-148.5	0	0	110.8	D51 Q57 R58 D59	D51-E55 WeakPolarHBondContact O-CB 3.47Å; D51-E55 PolarHBondContact O-N 2.94Å; E55-Q57 VanDerWaalsContact C-N 3.3Å; E55-Q57 PolarHBondContact O-N 3.37Å; E55-R58 WeakPolarHBondContact O-CB 3.39Å; E55-R58 PolarHBondContact O-N 3.18Å; E55-R58 VanDerWaalsContact O-N 3.1Å; E55-R58 IonicContact OE1-NH2 2.91Å; E55-D59 VanDerWaalsContact O-CG 3.31Å; E55-D59 PolarHBondContact O-N 3.21Å
56	L	92.9	Very high	92.4	Very high	9 Å²	9	64.3 Å²	64.3	5%	0.047	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-39.3	177.6	-175.9	60.7	0	0	0	111.8	L39 L45 Y52 Y53 R58 D59 I60 F81 V86 L121	L39-L56 HydrophobicContact CD1-CD1 3.72Å; L39-L56 HydrophobicContact CD1-CD2 4.07Å; L45-L56 HydrophobicContact CD1-CD2 4.21Å; L45-L56 HydrophobicContact CD2-CD2 3.74Å; Y52-L56 WeakPolarHBondContact O-CB 3.49Å; Y52-L56 PolarHBondContact O-N 3.44Å; Y52-L56 VanDerWaalsContact O-N 3.1Å; Y53-L56 PolarHBondContact O-N 3.38Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 2.79Å; L56-D59 PolarHBondContact O-N 3.49Å; L56-I60 HydrophobicContact CD1-CD1 4.12Å; L56-I60 HydrophobicContact CD1-CG1 4.38Å; L56-I60 HydrophobicContact CG-CD1 3.92Å; L56-I60 WeakPolarHBondContact O-CB 3.36Å; L56-I60 WeakPolarHBondContact O-CD1 3.4Å; L56-I60 VanDerWaalsContact O-CG1 3.26Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 3.16Å; L56-F81 HydrophobicContact CB-CZ 4.3Å; L56-F81 HydrophobicContact CD2-CD1 4.31Å; L56-F81 HydrophobicContact CD2-CE1 3.85Å; L56-F81 HydrophobicContact CD2-CE2 4.3Å; L56-F81 HydrophobicContact CD2-CZ 3.85Å; L56-F81 HydrophobicContact CG-CE1 4.15Å; L56-F81 HydrophobicContact CG-CZ 3.87Å; L56-V86 HydrophobicContact CD2-CG1 4.21Å; L56-L121 HydrophobicContact CD1-CD2 4.19Å
57	Q	93.3	Very high	92.3	Very high	72 Å²	72	58.8 Å²	58.8	34%	0.336	30%	0.297	S	S	.	.	H	α-helix	trans	-60.6	-42.6	174.5	-173.5	-172.2	-41.9	0	0	111.3	Y53 Q54 E55 S61 I79	Y53-Q57 HydrophobicContact CD1-CB 4.4Å; Y53-Q57 HydrophobicContact CE1-CB 4.47Å; Y53-Q57 VanDerWaalsContact CE1-OE1 3.23Å; Y53-Q57 WeakPolarHBondContact O-CB 3.24Å; Y53-Q57 PolarHBondContact O-N 2.97Å; Q54-Q57 PolarHBondContact O-N 3.32Å; E55-Q57 VanDerWaalsContact C-N 3.3Å; E55-Q57 PolarHBondContact O-N 3.37Å; Q57-S61 VanDerWaalsContact O-CB 3.31Å; Q57-S61 WeakPolarHBondContact O-CB 3.48Å; Q57-S61 PolarHBondContact O-N 3.1Å; Q57-S61 PolarHBondContact O-OG 2.9Å; Q57-I79 HydrophobicContact CG-CB 4.16Å; Q57-I79 HydrophobicContact CG-CD1 3.48Å; Q57-I79 VanDerWaalsContact CG-CD1 3.48Å; Q57-I79 HydrophobicContact CG-CG1 4.38Å; Q57-I79 HydrophobicContact CG-CG2 4.26Å
58	R	93.4	Very high	92.2	Very high	131 Å²	131	55.4 Å²	55.4	49%	0.494	28%	0.279	S	S	.	.	H	α-helix	trans	-64.3	-47.8	177.1	179.5	-172.8	62.9	177.8	-5.5	111	Q54 E55 L56 I60 S61 E62	Q54-R58 WeakPolarHBondContact O-CB 3.22Å; Q54-R58 PolarHBondContact O-N 3Å; E55-R58 WeakPolarHBondContact O-CB 3.39Å; E55-R58 PolarHBondContact O-N 3.18Å; E55-R58 VanDerWaalsContact O-N 3.1Å; E55-R58 IonicContact OE1-NH2 2.91Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 2.79Å; R58-I60 VanDerWaalsContact C-N 3.33Å; R58-I60 PolarHBondContact O-N 3.38Å; R58-S61 CarbonylContact O-C 3.51Å; R58-S61 WeakPolarHBondContact O-CA 3.38Å; R58-S61 WeakPolarHBondContact O-CB 3.37Å; R58-S61 PolarHBondContact O-N 3.48Å; R58-E62 HydrophobicContact CG-CG 4.44Å; R58-E62 PolarHBondContact O-N 3.44Å
59	D	92.3	Very high	91.7	Very high	43 Å²	43	58.7 Å²	58.7	23%	0.23	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-43.8	-178.2	-66.6	-6.6	0	0	0	111.3	E55 L56 S61 E62 M63 Y119	E55-D59 VanDerWaalsContact O-CG 3.31Å; E55-D59 PolarHBondContact O-N 3.21Å; L56-D59 PolarHBondContact O-N 3.49Å; D59-S61 VanDerWaalsContact C-N 3.33Å; D59-S61 PolarHBondContact O-N 3.33Å; D59-E62 PolarHBondContact O-N 3.06Å; D59-M63 WeakPolarHBondContact O-CB 3.49Å; D59-M63 PolarHBondContact O-N 3.43Å; D59-Y119 HydrophobicContact CB-CD1 4.39Å
60	I	92.3	Very high	90.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-44	172.3	-68	167.2	0	0	0	109.9	F34 I36 L56 R58 E62 M63 F64 I79 F81 V88 L90 L121	F34-I60 HydrophobicContact CZ-CG2 4.37Å; I36-I60 HydrophobicContact CD1-CD1 4.1Å; L56-I60 HydrophobicContact CD1-CD1 4.12Å; L56-I60 HydrophobicContact CD1-CG1 4.38Å; L56-I60 HydrophobicContact CG-CD1 3.92Å; L56-I60 WeakPolarHBondContact O-CB 3.36Å; L56-I60 WeakPolarHBondContact O-CD1 3.4Å; L56-I60 VanDerWaalsContact O-CG1 3.26Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 3.16Å; R58-I60 VanDerWaalsContact C-N 3.33Å; R58-I60 PolarHBondContact O-N 3.38Å; I60-E62 PolarHBondContact O-N 3.31Å; I60-M63 WeakPolarHBondContact O-CB 3.26Å; I60-M63 PolarHBondContact O-N 3.09Å; I60-F64 HydrophobicContact CG2-CD2 3.77Å; I60-F64 HydrophobicContact CG2-CE2 3.85Å; I60-F64 VanDerWaalsContact O-CD2 3.29Å; I60-F64 WeakPolarHBondContact O-CD2 3.47Å; I60-F64 PolarHBondContact O-N 3.22Å; I60-I79 HydrophobicContact CG2-CD1 4.39Å; I60-F81 HydrophobicContact CD1-CE1 3.54Å; I60-F81 HydrophobicContact CD1-CZ 3.9Å; I60-V88 HydrophobicContact CD1-CG1 4.08Å; I60-V88 HydrophobicContact CD1-CG2 3.91Å; I60-L90 HydrophobicContact CG2-CD2 4.17Å; I60-L121 HydrophobicContact CG1-CD1 4.18Å
61	S	92.6	Very high	89.3	Confident	26 Å²	26	63.5 Å²	63.5	18%	0.182	31%	0.31	C	S	.	.	H	α-helix	trans	-61.8	-44.7	-178.9	-60	0	0	0	0	112.4	Q57 R58 D59 F64 L65	Q57-S61 VanDerWaalsContact O-CB 3.31Å; Q57-S61 WeakPolarHBondContact O-CB 3.48Å; Q57-S61 PolarHBondContact O-N 3.1Å; Q57-S61 PolarHBondContact O-OG 2.9Å; R58-S61 CarbonylContact O-C 3.51Å; R58-S61 WeakPolarHBondContact O-CA 3.38Å; R58-S61 WeakPolarHBondContact O-CB 3.37Å; R58-S61 PolarHBondContact O-N 3.48Å; D59-S61 VanDerWaalsContact C-N 3.33Å; D59-S61 PolarHBondContact O-N 3.33Å; S61-F64 PolarHBondContact O-N 3.48Å; S61-L65 WeakPolarHBondContact O-CG 3.06Å; S61-L65 PolarHBondContact O-N 3.34Å
62	E	91.6	Very high	88.7	Confident	89 Å²	89	58.4 Å²	58.4	42%	0.416	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-42	175.6	-72.1	-171	-174.7	0	0	111.7	R58 D59 I60 F64 L65 Q66 Y119	R58-E62 HydrophobicContact CG-CG 4.44Å; R58-E62 PolarHBondContact O-N 3.44Å; D59-E62 PolarHBondContact O-N 3.06Å; I60-E62 PolarHBondContact O-N 3.31Å; E62-F64 PolarHBondContact O-N 3.44Å; E62-L65 WeakPolarHBondContact O-CB 2.78Å; E62-L65 PolarHBondContact O-N 3.05Å; E62-Q66 WeakPolarHBondContact O-CG 3.48Å; E62-Q66 PolarHBondContact O-N 3.44Å; E62-Y119 HydrophobicContact CB-CE1 4.21Å
63	M	90.9	Very high	88.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.4	-49.3	174.8	-177.6	-170.5	71.7	0	0	111.3	F34 D59 I60 L65 Q66 I67 F108 Y111 A115 Y119 I123	F34-M63 HydrophobicContact CZ-CE 4.39Å; D59-M63 WeakPolarHBondContact O-CB 3.49Å; D59-M63 PolarHBondContact O-N 3.43Å; I60-M63 WeakPolarHBondContact O-CB 3.26Å; I60-M63 PolarHBondContact O-N 3.09Å; M63-L65 VanDerWaalsContact C-N 3.31Å; M63-L65 PolarHBondContact O-N 3.38Å; M63-Q66 WeakPolarHBondContact O-CB 3.49Å; M63-Q66 PolarHBondContact O-N 2.91Å; M63-I67 HydrophobicContact CE-CD1 4.49Å; M63-I67 HydrophobicContact CG-CD1 4.12Å; M63-I67 WeakPolarHBondContact O-CG1 3.44Å; M63-I67 PolarHBondContact O-N 3.11Å; M63-F108 HydrophobicContact CE-CE2 3.97Å; M63-F108 HydrophobicContact CE-CZ 4.36Å; M63-Y111 HydrophobicContact CG-CE1 4.33Å; M63-A115 HydrophobicContact CG-CB 4.28Å; M63-A115 HydrophobicContact SD-CB 3.49Å; M63-A115 WeakPolarHBondContact SD-CB 3.5Å; M63-Y119 HydrophobicContact CB-CD2 3.9Å; M63-Y119 HydrophobicContact CB-CE1 4.42Å; M63-Y119 HydrophobicContact CB-CE2 3.71Å; M63-Y119 HydrophobicContact CB-CG 4.35Å; M63-Y119 HydrophobicContact CG-CD2 3.9Å; M63-Y119 HydrophobicContact CG-CE2 3.9Å; M63-I123 HydrophobicContact CE-CD1 3.99Å; M63-I123 HydrophobicContact SD-CD1 3.8Å
64	F	90.8	Very high	88.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-35.7	178.3	-88.2	-91.3	0	0	0	112.9	L32 F34 I60 S61 E62 Q66 I67 Y68 L76 L90 L92 F108	L32-F64 HydrophobicContact CD1-CE1 4.16Å; L32-F64 HydrophobicContact CD1-CZ 4.37Å; L32-F64 HydrophobicContact CD2-CE1 4.14Å; L32-F64 HydrophobicContact CD2-CZ 3.62Å; F34-F64 AromaticContact CE1-CE2 3.88Å; F34-F64 HydrophobicContact CE1-CE2 3.88Å; F34-F64 AromaticContact CE1-CZ 3.94Å; F34-F64 HydrophobicContact CE1-CZ 3.94Å; F34-F64 HydrophobicContact CZ-CE2 4.09Å; I60-F64 HydrophobicContact CG2-CD2 3.77Å; I60-F64 HydrophobicContact CG2-CE2 3.85Å; I60-F64 VanDerWaalsContact O-CD2 3.29Å; I60-F64 WeakPolarHBondContact O-CD2 3.47Å; I60-F64 PolarHBondContact O-N 3.22Å; S61-F64 PolarHBondContact O-N 3.48Å; E62-F64 PolarHBondContact O-N 3.44Å; F64-Q66 VanDerWaalsContact C-N 3.26Å; F64-Q66 PolarHBondContact O-N 3.43Å; F64-I67 PolarHBondContact O-N 3.14Å; F64-Y68 AromaticContact CD1-CD2 3.85Å; F64-Y68 HydrophobicContact CD1-CD2 3.85Å; F64-Y68 AromaticContact CD1-CE2 3.47Å; F64-Y68 HydrophobicContact CD1-CE2 3.47Å; F64-Y68 VanDerWaalsContact CD1-CE2 3.47Å; F64-Y68 AromaticContact CE1-CE2 3.78Å; F64-Y68 HydrophobicContact CE1-CE2 3.78Å; F64-Y68 WeakPolarHBondContact O-CD2 3.09Å; F64-Y68 PolarHBondContact O-N 2.83Å; F64-L76 HydrophobicContact CB-CD2 3.54Å; F64-L76 HydrophobicContact CG-CD2 4.15Å; F64-L90 HydrophobicContact CD2-CD2 4.14Å; F64-L90 HydrophobicContact CE1-CD1 4.28Å; F64-L90 HydrophobicContact CE1-CD2 4.41Å; F64-L90 HydrophobicContact CE2-CD2 3.58Å; F64-L90 HydrophobicContact CZ-CD1 4.32Å; F64-L90 HydrophobicContact CZ-CD2 3.75Å; F64-L92 HydrophobicContact CD1-CD1 4.31Å; F64-L92 HydrophobicContact CD1-CD2 3.48Å; F64-L92 VanDerWaalsContact CD1-CD2 3.48Å; F64-L92 HydrophobicContact CE1-CD1 4.01Å; F64-L92 HydrophobicContact CE1-CD2 3.77Å; F64-L92 HydrophobicContact CE1-CG 4.41Å; F64-L92 HydrophobicContact CG-CD2 4.35Å; F64-F108 AromaticContact CE1-CD2 3.84Å; F64-F108 HydrophobicContact CE1-CD2 3.84Å; F64-F108 AromaticContact CE1-CE2 3.79Å; F64-F108 HydrophobicContact CE1-CE2 3.79Å; F64-F108 AromaticContact CE2-CE2 3.77Å; F64-F108 HydrophobicContact CE2-CE2 3.77Å; F64-F108 HydrophobicContact CE2-CZ 4.45Å; F64-F108 AromaticContact CZ-CD2 3.75Å; F64-F108 HydrophobicContact CZ-CD2 3.75Å; F64-F108 AromaticContact CZ-CE2 3.2Å; F64-F108 HydrophobicContact CZ-CE2 3.2Å; F64-F108 AromaticContact CZ-CZ 3.96Å; F64-F108 HydrophobicContact CZ-CZ 3.96Å
65	L	89.1	Confident	88.1	Confident	94 Å²	94	56.4 Å²	56.4	49%	0.492	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-32.5	173.1	-73.9	167.2	0	0	0	112.3	S61 E62 M63 K69 F73	S61-L65 WeakPolarHBondContact O-CG 3.06Å; S61-L65 PolarHBondContact O-N 3.34Å; E62-L65 WeakPolarHBondContact O-CB 2.78Å; E62-L65 PolarHBondContact O-N 3.05Å; M63-L65 VanDerWaalsContact C-N 3.31Å; M63-L65 PolarHBondContact O-N 3.38Å; L65-K69 WeakPolarHBondContact O-CG 3.15Å; L65-K69 PolarHBondContact O-N 2.98Å; L65-F73 HydrophobicContact CD2-CD1 4.34Å; L65-F73 HydrophobicContact CD2-CE1 3.85Å
66	Q	88.4	Confident	88.1	Confident	65 Å²	65	53.6 Å²	53.6	30%	0.304	28%	0.278	S	S	.	.	H	α-helix	trans	-72	-40.8	173.7	-61	-58	-35.7	0	0	112.2	E62 M63 F64 Y111 Y119	E62-Q66 WeakPolarHBondContact O-CG 3.48Å; E62-Q66 PolarHBondContact O-N 3.44Å; M63-Q66 WeakPolarHBondContact O-CB 3.49Å; M63-Q66 PolarHBondContact O-N 2.91Å; F64-Q66 VanDerWaalsContact C-N 3.26Å; F64-Q66 PolarHBondContact O-N 3.43Å; Q66-Y111 HydrophobicContact CB-CE1 4.41Å; Q66-Y119 WeakPolarHBondContact CG-OH 3.39Å
67	I	89.1	Confident	87.9	Confident	21 Å²	21	55.5 Å²	55.5	11%	0.108	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-49.3	-179	-63.2	171.2	0	0	0	110.3	M63 F64 Q107 F108 Y111	M63-I67 HydrophobicContact CE-CD1 4.49Å; M63-I67 HydrophobicContact CG-CD1 4.12Å; M63-I67 WeakPolarHBondContact O-CG1 3.44Å; M63-I67 PolarHBondContact O-N 3.11Å; F64-I67 PolarHBondContact O-N 3.14Å; I67-Q107 HydrophobicContact CG2-CB 4.38Å; I67-F108 HydrophobicContact CD1-CD2 3.61Å; I67-F108 HydrophobicContact CD1-CE2 3.82Å; I67-Y111 HydrophobicContact CD1-CD1 3.72Å; I67-Y111 HydrophobicContact CD1-CG 4.1Å; I67-Y111 HydrophobicContact CG1-CD1 3.31Å; I67-Y111 HydrophobicContact CG1-CD2 4.14Å; I67-Y111 HydrophobicContact CG1-CE1 3.89Å; I67-Y111 HydrophobicContact CG1-CG 3.46Å; I67-Y111 VanDerWaalsContact CG1-CG 3.46Å
68	Y	88.6	Confident	87.7	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.008	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	31.4	-170.5	-58.3	-72	0	0	0	113.4	F64 Q70 F73 L92 F94 I99 V104 Q107	F64-Y68 AromaticContact CD1-CD2 3.85Å; F64-Y68 HydrophobicContact CD1-CD2 3.85Å; F64-Y68 AromaticContact CD1-CE2 3.47Å; F64-Y68 HydrophobicContact CD1-CE2 3.47Å; F64-Y68 VanDerWaalsContact CD1-CE2 3.47Å; F64-Y68 AromaticContact CE1-CE2 3.78Å; F64-Y68 HydrophobicContact CE1-CE2 3.78Å; F64-Y68 WeakPolarHBondContact O-CD2 3.09Å; F64-Y68 PolarHBondContact O-N 2.83Å; Y68-Q70 PolarHBondContact O-N 2.93Å; Y68-F73 HydrophobicContact CD2-CE2 4.48Å; Y68-F73 HydrophobicContact CG-CD2 4.4Å; Y68-F73 VanDerWaalsContact O-CB 3.3Å; Y68-F73 WeakPolarHBondContact O-CB 2.99Å; Y68-L92 HydrophobicContact CE2-CD1 4.06Å; Y68-F94 AromaticContact CD1-CE1 3.8Å; Y68-F94 HydrophobicContact CD1-CE1 3.8Å; Y68-F94 AromaticContact CD1-CZ 3.6Å; Y68-F94 HydrophobicContact CD1-CZ 3.6Å; Y68-F94 HydrophobicContact CD2-CZ 4.31Å; Y68-F94 HydrophobicContact CE1-CE1 4.48Å; Y68-F94 AromaticContact CE1-CZ 3.92Å; Y68-F94 HydrophobicContact CE1-CZ 3.92Å; Y68-F94 HydrophobicContact CG-CE1 4.05Å; Y68-F94 AromaticContact CG-CZ 3.82Å; Y68-F94 HydrophobicContact CG-CZ 3.82Å; Y68-I99 HydrophobicContact CE1-CD1 4.39Å; Y68-V104 HydrophobicContact CE1-CG1 4.43Å; Y68-V104 WeakPolarHBondContact OH-CG1 3.42Å; Y68-V104 PolarHBondContact OH-O 3.43Å; Y68-Q107 HydrophobicContact CE1-CB 3.98Å; Y68-Q107 VanDerWaalsContact CE1-OE1 3.24Å
69	K	81.6	Confident	87.6	Confident	142 Å²	142	51.4 Å²	51.4	62%	0.617	28%	0.283	S	S	*	.	S	Bend	trans	-53.4	-28.2	178.2	-80.4	-172.3	160.3	171	0	114.2	L65	L65-K69 WeakPolarHBondContact O-CG 3.15Å; L65-K69 PolarHBondContact O-N 2.98Å
70	Q	70.4	Confident	87.6	Confident	169 Å²	169	55 Å²	55	79%	0.79	30%	0.296	S	S	*	.	S	Bend	trans	-122.9	133.7	-174.2	-51.7	-168.2	41.6	0	0	108.3	Y68	Y68-Q70 PolarHBondContact O-N 2.93Å
71	G	66.9	Low	87.6	Confident	45 Å²	45	55.7 Å²	55.7	46%	0.464	30%	0.299	S	S	.	.	S	Bend	trans	107.1	53.3	170.4	0	0	0	0	0	116.2	F73 T98	G71-F73 PolarHBondContact O-N 3.24Å; G71-T98 PolarHBondContact O-OG1 3.48Å
72	G	83.2	Confident	87.5	Confident	28 Å²	28	60.8 Å²	60.8	29%	0.289	32%	0.315	S	S	.	.	S	Bend	trans	68	12.2	165.6	0	0	0	0	0	115.3	L74 F94 R95	G72-L74 PolarHBondContact O-N 2.98Å; G72-F94 CarbonylContact O-C 3.54Å; G72-F94 WeakPolarHBondContact O-CA 3.5Å; G72-R95 PolarHBondContact O-N 3.01Å
73	F	89.7	Confident	87.1	Confident	35 Å²	35	61 Å²	61	15%	0.154	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	127.8	172.5	-175.8	-119.6	0	0	0	110.3	L65 Y68 G71 G75 L76 L92 A93 F94	L65-F73 HydrophobicContact CD2-CD1 4.34Å; L65-F73 HydrophobicContact CD2-CE1 3.85Å; Y68-F73 HydrophobicContact CD2-CE2 4.48Å; Y68-F73 HydrophobicContact CG-CD2 4.4Å; Y68-F73 VanDerWaalsContact O-CB 3.3Å; Y68-F73 WeakPolarHBondContact O-CB 2.99Å; G71-F73 PolarHBondContact O-N 3.24Å; F73-G75 WeakPolarHBondContact CE2-O 3.42Å; F73-G75 VanDerWaalsContact CZ-CA 3.49Å; F73-G75 WeakPolarHBondContact CZ-O 3.43Å; F73-L76 HydrophobicContact CZ-CB 4.3Å; F73-L76 HydrophobicContact CZ-CD2 4.44Å; F73-L92 HydrophobicContact CE2-CB 4.44Å; F73-L92 HydrophobicContact CE2-CD2 3.99Å; F73-L92 HydrophobicContact CZ-CD2 4.4Å; F73-A93 WeakPolarHBondContact CD2-O 3.48Å; F73-F94 HydrophobicContact CB-CD1 3.92Å; F73-F94 HydrophobicContact CB-CE1 3.77Å; F73-F94 AromaticContact CD2-CD1 3.98Å; F73-F94 HydrophobicContact CD2-CD1 3.98Å; F73-F94 HydrophobicContact CD2-CD2 4.43Å; F73-F94 AromaticContact CD2-CE1 3.54Å; F73-F94 HydrophobicContact CD2-CE1 3.54Å; F73-F94 HydrophobicContact CD2-CE2 4.07Å; F73-F94 HydrophobicContact CD2-CG 4.41Å; F73-F94 AromaticContact CD2-CZ 3.59Å; F73-F94 HydrophobicContact CD2-CZ 3.59Å; F73-F94 HydrophobicContact CE2-CE2 4.46Å; F73-F94 HydrophobicContact CE2-CZ 4.2Å; F73-F94 HydrophobicContact CG-CD1 4.47Å; F73-F94 HydrophobicContact CG-CE1 4.09Å
74	L	90.2	Very high	85.9	Confident	93 Å²	93	63.3 Å²	63.3	49%	0.487	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-26.1	-179	-57.3	-179.3	0	0	0	111.6	V27 G72 A93	V27-L74 HydrophobicContact CB-CD1 4.27Å; V27-L74 HydrophobicContact CG1-CD1 3.82Å; V27-L74 HydrophobicContact CG2-CD1 3.58Å; G72-L74 PolarHBondContact O-N 2.98Å; L74-A93 HydrophobicContact CB-CB 4.19Å; L74-A93 PolarHBondContact N-O 3.36Å
75	G	90.1	Very high	84.8	Confident	21 Å²	21	66.1 Å²	66.1	22%	0.216	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.3	-171.6	177	0	0	0	0	0	112.7	F73 A93	F73-G75 WeakPolarHBondContact CE2-O 3.42Å; F73-G75 VanDerWaalsContact CZ-CA 3.49Å; F73-G75 WeakPolarHBondContact CZ-O 3.43Å; G75-A93 PolarHBondContact N-O 3.46Å; G75-A93 PolarHBondContact O-N 2.86Å
76	L	91.9	Very high	84.6	Confident	40 Å²	40	61.7 Å²	61.7	21%	0.209	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	154.4	177.6	64.4	93.3	0	0	0	109.6	F64 F73 I79 T91 L92	F64-L76 HydrophobicContact CB-CD2 3.54Å; F64-L76 HydrophobicContact CG-CD2 4.15Å; F73-L76 HydrophobicContact CZ-CB 4.3Å; F73-L76 HydrophobicContact CZ-CD2 4.44Å; L76-I79 HydrophobicContact CD1-CD1 3.26Å; L76-I79 HydrophobicContact CD1-CG1 3.69Å; L76-T91 CarbonylContact C-O 3.49Å; L76-T91 VanDerWaalsContact CA-O 3.25Å; L76-T91 WeakPolarHBondContact CA-O 3.31Å; L76-L92 HydrophobicContact CB-CD2 3.88Å
77	S	89.9	Confident	84.6	Confident	50 Å²	50	59.2 Å²	59.2	35%	0.35	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	174.4	-179.4	61.6	0	0	0	0	110.8	I79 T91	S77-I79 PolarHBondContact O-N 3.04Å; S77-T91 PolarHBondContact N-O 3.19Å; S77-T91 PolarHBondContact O-N 3.08Å
78	N	88.3	Confident	84.7	Confident	105 Å²	105	58.2 Å²	58.2	56%	0.561	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.7	32.2	174.6	-57.6	-37.6	0	0	0	114.5	K80 T91	N78-K80 PolarHBondContact O-N 3.22Å; N78-T91 PolarHBondContact ND2-OG1 3.11Å
79	I	91.8	Very high	84.9	Confident	11 Å²	11	60 Å²	60	6%	0.056	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	123.8	172.4	-62.1	173.3	0	0	0	108.4	Y53 Q57 I60 L76 S77 F81 V88 Q89 L90	Y53-I79 PolarHBondContact OH-O 3.43Å; Q57-I79 HydrophobicContact CG-CB 4.16Å; Q57-I79 HydrophobicContact CG-CD1 3.48Å; Q57-I79 VanDerWaalsContact CG-CD1 3.48Å; Q57-I79 HydrophobicContact CG-CG1 4.38Å; Q57-I79 HydrophobicContact CG-CG2 4.26Å; I60-I79 HydrophobicContact CG2-CD1 4.39Å; L76-I79 HydrophobicContact CD1-CD1 3.26Å; L76-I79 HydrophobicContact CD1-CG1 3.69Å; S77-I79 PolarHBondContact O-N 3.04Å; I79-F81 HydrophobicContact CG2-CE1 3.89Å; I79-F81 HydrophobicContact CG2-CE2 4.22Å; I79-F81 HydrophobicContact CG2-CZ 3.63Å; I79-V88 HydrophobicContact CG2-CG1 4.23Å; I79-Q89 CarbonylContact C-O 3.56Å; I79-Q89 VanDerWaalsContact CA-O 3.24Å; I79-Q89 WeakPolarHBondContact CA-O 3.39Å; I79-L90 HydrophobicContact CG1-CB 3.95Å; I79-L90 HydrophobicContact CG1-CD2 4.49Å
80	K	91.7	Very high	85.4	Confident	119 Å²	119	53.3 Å²	53.3	52%	0.517	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143.9	175	-67.6	178.1	-177.2	177.4	0	109.9	N78 V88 Q89	N78-K80 PolarHBondContact O-N 3.22Å; K80-V88 WeakPolarHBondContact O-CA 3.49Å; K80-Q89 PolarHBondContact N-O 2.73Å; K80-Q89 PolarHBondContact O-N 2.84Å
81	F	92.9	Very high	86.4	Confident	15 Å²	15	46 Å²	46	7%	0.066	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	140.3	176.7	-55.2	-61.4	0	0	0	110.8	F41 L45 Y53 L56 I60 I79 V86 V87 V88	F41-F81 HydrophobicContact CD2-CB 4.49Å; F41-F81 HydrophobicContact CE2-CB 3.97Å; L45-F81 HydrophobicContact CB-CB 4.11Å; L45-F81 HydrophobicContact CB-CD2 4.34Å; L45-F81 HydrophobicContact CB-CG 4.5Å; L45-F81 HydrophobicContact CD2-CD2 3.86Å; L45-F81 HydrophobicContact CD2-CE2 4.18Å; L45-F81 HydrophobicContact CD2-CG 4.38Å; Y53-F81 HydrophobicContact CD1-CE2 4.05Å; Y53-F81 AromaticContact CD2-CD2 3.61Å; Y53-F81 HydrophobicContact CD2-CD2 3.61Å; Y53-F81 AromaticContact CD2-CE2 3.89Å; Y53-F81 HydrophobicContact CD2-CE2 3.89Å; Y53-F81 HydrophobicContact CE1-CD2 4.36Å; Y53-F81 AromaticContact CE1-CE2 3.93Å; Y53-F81 HydrophobicContact CE1-CE2 3.93Å; Y53-F81 AromaticContact CE2-CD2 3.35Å; Y53-F81 HydrophobicContact CE2-CD2 3.35Å; Y53-F81 AromaticContact CE2-CE2 3.77Å; Y53-F81 HydrophobicContact CE2-CE2 3.77Å; Y53-F81 HydrophobicContact CE2-CG 4.47Å; Y53-F81 HydrophobicContact CG-CD2 4.2Å; Y53-F81 HydrophobicContact CG-CE2 4Å; Y53-F81 AromaticContact CZ-CD2 3.75Å; Y53-F81 AromaticContact CZ-CE2 3.76Å; L56-F81 HydrophobicContact CB-CZ 4.3Å; L56-F81 HydrophobicContact CD2-CD1 4.31Å; L56-F81 HydrophobicContact CD2-CE1 3.85Å; L56-F81 HydrophobicContact CD2-CE2 4.3Å; L56-F81 HydrophobicContact CD2-CZ 3.85Å; L56-F81 HydrophobicContact CG-CE1 4.15Å; L56-F81 HydrophobicContact CG-CZ 3.87Å; I60-F81 HydrophobicContact CD1-CE1 3.54Å; I60-F81 HydrophobicContact CD1-CZ 3.9Å; I79-F81 HydrophobicContact CG2-CE1 3.89Å; I79-F81 HydrophobicContact CG2-CE2 4.22Å; I79-F81 HydrophobicContact CG2-CZ 3.63Å; F81-V86 HydrophobicContact CB-CG1 4.23Å; F81-V86 HydrophobicContact CD1-CG1 3.7Å; F81-V86 HydrophobicContact CE1-CG1 4.46Å; F81-V86 HydrophobicContact CG-CG1 4.2Å; F81-V87 CarbonylContact C-O 3.56Å; F81-V87 VanDerWaalsContact CA-O 3.29Å; F81-V87 WeakPolarHBondContact CA-O 3.37Å; F81-V88 HydrophobicContact CD1-CB 4.49Å; F81-V88 HydrophobicContact CD1-CG1 4.45Å; F81-V88 HydrophobicContact CD1-CG2 3.93Å; F81-V88 HydrophobicContact CE1-CB 4.46Å; F81-V88 HydrophobicContact CE1-CG1 4.08Å; F81-V88 HydrophobicContact CE1-CG2 3.85Å
82	R	89.4	Confident	87.6	Confident	133 Å²	133	43.9 Å²	43.9	50%	0.502	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.9	175.4	-63.7	179.4	176.6	-99.9	2	111.9	F41 V87	F41-R82 VanDerWaalsContact CD2-C 3.46Å; F41-R82 WeakPolarHBondContact CD2-O 3.45Å; R82-V87 HydrophobicContact CB-CB 4.09Å; R82-V87 HydrophobicContact CB-CG2 4.36Å; R82-V87 PolarHBondContact N-O 2.79Å; R82-V87 PolarHBondContact O-N 3.07Å
83	P	83.4	Confident	87.9	Confident	94 Å²	94	43.1 Å²	43.1	61%	0.61	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	149.7	176.1	26.5	-35.2	0	0	0	112.4	F41	F41-P83 HydrophobicContact CB-CB 4.45Å; F41-P83 HydrophobicContact CD1-CB 3.85Å; F41-P83 HydrophobicContact CE1-CB 4.26Å; F41-P83 HydrophobicContact CG-CB 4.08Å
84	G	66.9	Low	87.9	Confident	47 Å²	47	41.5 Å²	41.5	49%	0.485	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.4	59.4	-176.9	0	0	0	0	0	113.2	H35	H35-G84 PolarHBondContact CE1-O 2.84Å; H35-G84 VanDerWaalsContact CE1-O 3.22Å; H35-G84 PolarHBondContact ND1-O 3.41Å
85	S	67.9	Low	87.8	Confident	60 Å²	60	41.6 Å²	41.6	42%	0.42	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	63.4	-170.4	-67.8	0	0	0	0	112.7	I36 V87	I36-S85 CarbonylContact C-O 3.25Å; I36-S85 PolarHBondContact N-O 3.19Å; I36-S85 VanDerWaalsContact N-O 3.1Å; I36-S85 CarbonylContact O-C 3.49Å; I36-S85 VanDerWaalsContact O-C 3.25Å; I36-S85 VanDerWaalsContact O-O 3.05Å; S85-V87 PolarHBondContact O-N 3.02Å
86	V	85.3	Confident	87.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	25.2	82.8	-178.6	-174.1	0	0	0	0	112.1	I36 L39 F41 L45 L56 F81 V88	I36-V86 HydrophobicContact CB-CB 4.33Å; I36-V86 HydrophobicContact CD1-CG1 4.5Å; I36-V86 PolarHBondContact N-O 2.85Å; I36-V86 VanDerWaalsContact N-O 3.15Å; L39-V86 HydrophobicContact CB-CB 4.46Å; L39-V86 HydrophobicContact CB-CG2 3.87Å; F41-V86 HydrophobicContact CB-CG2 4.15Å; F41-V86 HydrophobicContact CD2-CG2 4.48Å; L45-V86 HydrophobicContact CD1-CB 4.49Å; L45-V86 HydrophobicContact CD1-CG1 3.9Å; L45-V86 HydrophobicContact CD1-CG2 3.68Å; L56-V86 HydrophobicContact CD2-CG1 4.21Å; F81-V86 HydrophobicContact CB-CG1 4.23Å; F81-V86 HydrophobicContact CD1-CG1 3.7Å; F81-V86 HydrophobicContact CE1-CG1 4.46Å; F81-V86 HydrophobicContact CG-CG1 4.2Å; V86-V88 HydrophobicContact CG1-CG2 4.5Å; V86-V88 PolarHBondContact O-N 2.97Å
87	V	88.1	Confident	86.9	Confident	14 Å²	14	47.9 Å²	47.9	9%	0.085	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	119.1	176.1	-164.5	0	0	0	0	107.9	F34 H35 F81 R82 S85	F34-V87 CarbonylContact O-C 3.59Å; F34-V87 WeakPolarHBondContact O-CA 3.35Å; H35-V87 WeakPolarHBondContact CE1-CG2 3.44Å; F81-V87 CarbonylContact C-O 3.56Å; F81-V87 VanDerWaalsContact CA-O 3.29Å; F81-V87 WeakPolarHBondContact CA-O 3.37Å; R82-V87 HydrophobicContact CB-CB 4.09Å; R82-V87 HydrophobicContact CB-CG2 4.36Å; R82-V87 PolarHBondContact N-O 2.79Å; R82-V87 PolarHBondContact O-N 3.07Å; S85-V87 PolarHBondContact O-N 3.02Å
88	V	91.2	Very high	86.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.6	176.7	-172.2	0	0	0	0	108.3	S33 F34 I36 I60 I79 K80 F81 V86 L90	S33-V88 VanDerWaalsContact CA-O 3.27Å; S33-V88 WeakPolarHBondContact CA-O 3.21Å; F34-V88 HydrophobicContact CD1-CB 4.06Å; F34-V88 HydrophobicContact CD2-CB 4.27Å; F34-V88 HydrophobicContact CD2-CG2 4.23Å; F34-V88 HydrophobicContact CE1-CB 3.65Å; F34-V88 HydrophobicContact CE1-CG1 3.73Å; F34-V88 HydrophobicContact CE1-CG2 4.32Å; F34-V88 HydrophobicContact CE2-CB 3.87Å; F34-V88 HydrophobicContact CE2-CG1 4.49Å; F34-V88 HydrophobicContact CE2-CG2 3.65Å; F34-V88 HydrophobicContact CG-CB 4.39Å; F34-V88 HydrophobicContact CZ-CB 3.56Å; F34-V88 HydrophobicContact CZ-CG1 3.71Å; F34-V88 HydrophobicContact CZ-CG2 3.71Å; F34-V88 PolarHBondContact N-O 3.15Å; F34-V88 PolarHBondContact O-N 3.27Å; I36-V88 HydrophobicContact CD1-CG2 3.47Å; I36-V88 VanDerWaalsContact CD1-CG2 3.47Å; I36-V88 HydrophobicContact CG1-CG2 3.93Å; I60-V88 HydrophobicContact CD1-CG1 4.08Å; I60-V88 HydrophobicContact CD1-CG2 3.91Å; I79-V88 HydrophobicContact CG2-CG1 4.23Å; K80-V88 WeakPolarHBondContact O-CA 3.49Å; F81-V88 HydrophobicContact CD1-CB 4.49Å; F81-V88 HydrophobicContact CD1-CG1 4.45Å; F81-V88 HydrophobicContact CD1-CG2 3.93Å; F81-V88 HydrophobicContact CE1-CB 4.46Å; F81-V88 HydrophobicContact CE1-CG1 4.08Å; F81-V88 HydrophobicContact CE1-CG2 3.85Å; V86-V88 HydrophobicContact CG1-CG2 4.5Å; V86-V88 PolarHBondContact O-N 2.97Å; V88-L90 HydrophobicContact CG1-CD2 4.12Å
89	Q	91.9	Very high	86.5	Confident	40 Å²	40	44.3 Å²	44.3	19%	0.187	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.1	171.3	-66.9	-174.1	-27.2	0	0	108.6	F31 I79 K80	F31-Q89 HydrophobicContact CE2-CB 4.09Å; F31-Q89 HydrophobicContact CZ-CB 3.77Å; F31-Q89 HydrophobicContact CZ-CG 3.83Å; I79-Q89 CarbonylContact C-O 3.56Å; I79-Q89 VanDerWaalsContact CA-O 3.24Å; I79-Q89 WeakPolarHBondContact CA-O 3.39Å; K80-Q89 PolarHBondContact N-O 2.73Å; K80-Q89 PolarHBondContact O-N 2.84Å
90	L	92.1	Very high	86.2	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	163.5	179.2	62.4	83.8	0	0	0	111.9	L32 F34 I60 F64 I79 V88 L92	L32-L90 HydrophobicContact CB-CD1 3.95Å; L32-L90 HydrophobicContact CB-CG 4.48Å; L32-L90 HydrophobicContact CD2-CD1 4.13Å; L32-L90 HydrophobicContact CD2-CD2 4.38Å; L32-L90 HydrophobicContact CD2-CG 4.16Å; L32-L90 PolarHBondContact N-O 3.1Å; L32-L90 PolarHBondContact O-N 2.87Å; F34-L90 HydrophobicContact CE1-CD2 4.01Å; I60-L90 HydrophobicContact CG2-CD2 4.17Å; F64-L90 HydrophobicContact CD2-CD2 4.14Å; F64-L90 HydrophobicContact CE1-CD1 4.28Å; F64-L90 HydrophobicContact CE1-CD2 4.41Å; F64-L90 HydrophobicContact CE2-CD2 3.58Å; F64-L90 HydrophobicContact CZ-CD1 4.32Å; F64-L90 HydrophobicContact CZ-CD2 3.75Å; I79-L90 HydrophobicContact CG1-CB 3.95Å; I79-L90 HydrophobicContact CG1-CD2 4.49Å; V88-L90 HydrophobicContact CG1-CD2 4.12Å; L90-L92 HydrophobicContact CD1-CD1 4.42Å; L90-L92 HydrophobicContact CD1-CD2 3.35Å; L90-L92 HydrophobicContact CD1-CG 3.56Å
91	T	91.3	Very high	86	Confident	16 Å²	16	44.9 Å²	44.9	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.1	174.8	-51.3	0	0	0	0	109.4	F29 F30 L76 S77 N78	F29-T91 HydrophobicContact CB-CG2 4.04Å; F29-T91 HydrophobicContact CD1-CG2 3.98Å; F29-T91 HydrophobicContact CG-CG2 4.43Å; F30-T91 CarbonylContact O-C 3.59Å; F30-T91 WeakPolarHBondContact O-CA 3.42Å; L76-T91 CarbonylContact C-O 3.49Å; L76-T91 VanDerWaalsContact CA-O 3.25Å; L76-T91 WeakPolarHBondContact CA-O 3.31Å; S77-T91 PolarHBondContact N-O 3.19Å; S77-T91 PolarHBondContact O-N 3.08Å; N78-T91 PolarHBondContact ND2-OG1 3.11Å
92	L	91.4	Very high	85.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	140.4	173.2	-56.9	175	0	0	0	110.1	F29 F30 L32 F64 Y68 F73 L76 L90 F94 V104	F29-L92 CarbonylContact C-O 3.48Å; F29-L92 VanDerWaalsContact CA-O 3.28Å; F29-L92 WeakPolarHBondContact CA-O 3.38Å; F30-L92 HydrophobicContact CB-CB 4.46Å; F30-L92 PolarHBondContact N-O 3.03Å; F30-L92 PolarHBondContact O-N 3.02Å; L32-L92 HydrophobicContact CB-CD1 4.38Å; L32-L92 HydrophobicContact CD1-CD1 3.99Å; F64-L92 HydrophobicContact CD1-CD1 4.31Å; F64-L92 HydrophobicContact CD1-CD2 3.48Å; F64-L92 VanDerWaalsContact CD1-CD2 3.48Å; F64-L92 HydrophobicContact CE1-CD1 4.01Å; F64-L92 HydrophobicContact CE1-CD2 3.77Å; F64-L92 HydrophobicContact CE1-CG 4.41Å; F64-L92 HydrophobicContact CG-CD2 4.35Å; Y68-L92 HydrophobicContact CE2-CD1 4.06Å; F73-L92 HydrophobicContact CE2-CB 4.44Å; F73-L92 HydrophobicContact CE2-CD2 3.99Å; F73-L92 HydrophobicContact CZ-CD2 4.4Å; L76-L92 HydrophobicContact CB-CD2 3.88Å; L90-L92 HydrophobicContact CD1-CD1 4.42Å; L90-L92 HydrophobicContact CD1-CD2 3.35Å; L90-L92 HydrophobicContact CD1-CG 3.56Å; L92-F94 HydrophobicContact CB-CD2 4.21Å; L92-F94 HydrophobicContact CB-CE2 3.6Å; L92-F94 HydrophobicContact CD1-CE2 4.06Å; L92-F94 HydrophobicContact CD1-CZ 4.45Å; L92-F94 HydrophobicContact CG-CE2 4.44Å; L92-V104 HydrophobicContact CD1-CG1 3.75Å
93	A	90.1	Very high	85.8	Confident	12 Å²	12	47 Å²	47	10%	0.099	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.7	176.4	0	0	0	0	0	110	V27 F29 F73 L74 G75	V27-A93 HydrophobicContact CG1-CB 4.07Å; F29-A93 HydrophobicContact CD1-CB 3.86Å; F29-A93 HydrophobicContact CE1-CB 3.7Å; F73-A93 WeakPolarHBondContact CD2-O 3.48Å; L74-A93 HydrophobicContact CB-CB 4.19Å; L74-A93 PolarHBondContact N-O 3.36Å; G75-A93 PolarHBondContact N-O 3.46Å; G75-A93 PolarHBondContact O-N 2.86Å
94	F	90.3	Very high	86.1	Confident	1 Å²	1	42.5 Å²	42.5	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	156.7	175.5	-65.6	-97.2	0	0	0	109.9	V27 S28 F30 Y68 G72 F73 L92 E96 I99 V104	V27-F94 CarbonylContact C-O 3.58Å; V27-F94 VanDerWaalsContact CA-O 3.29Å; V27-F94 WeakPolarHBondContact CA-O 3.44Å; V27-F94 WeakPolarHBondContact CG1-O 3.33Å; S28-F94 PolarHBondContact N-O 3.49Å; S28-F94 PolarHBondContact O-N 2.76Å; F30-F94 AromaticContact CD2-CD2 3.6Å; F30-F94 HydrophobicContact CD2-CD2 3.6Å; F30-F94 AromaticContact CD2-CE2 3.99Å; F30-F94 HydrophobicContact CD2-CE2 3.99Å; F30-F94 HydrophobicContact CE2-CB 4.4Å; F30-F94 AromaticContact CE2-CD2 3.73Å; F30-F94 HydrophobicContact CE2-CD2 3.73Å; F30-F94 HydrophobicContact CE2-CE2 4.39Å; F30-F94 HydrophobicContact CE2-CG 4.39Å; Y68-F94 AromaticContact CD1-CE1 3.8Å; Y68-F94 HydrophobicContact CD1-CE1 3.8Å; Y68-F94 AromaticContact CD1-CZ 3.6Å; Y68-F94 HydrophobicContact CD1-CZ 3.6Å; Y68-F94 HydrophobicContact CD2-CZ 4.31Å; Y68-F94 HydrophobicContact CE1-CE1 4.48Å; Y68-F94 AromaticContact CE1-CZ 3.92Å; Y68-F94 HydrophobicContact CE1-CZ 3.92Å; Y68-F94 HydrophobicContact CG-CE1 4.05Å; Y68-F94 AromaticContact CG-CZ 3.82Å; Y68-F94 HydrophobicContact CG-CZ 3.82Å; G72-F94 CarbonylContact O-C 3.54Å; G72-F94 WeakPolarHBondContact O-CA 3.5Å; F73-F94 HydrophobicContact CB-CD1 3.92Å; F73-F94 HydrophobicContact CB-CE1 3.77Å; F73-F94 AromaticContact CD2-CD1 3.98Å; F73-F94 HydrophobicContact CD2-CD1 3.98Å; F73-F94 HydrophobicContact CD2-CD2 4.43Å; F73-F94 AromaticContact CD2-CE1 3.54Å; F73-F94 HydrophobicContact CD2-CE1 3.54Å; F73-F94 HydrophobicContact CD2-CE2 4.07Å; F73-F94 HydrophobicContact CD2-CG 4.41Å; F73-F94 AromaticContact CD2-CZ 3.59Å; F73-F94 HydrophobicContact CD2-CZ 3.59Å; F73-F94 HydrophobicContact CE2-CE2 4.46Å; F73-F94 HydrophobicContact CE2-CZ 4.2Å; F73-F94 HydrophobicContact CG-CD1 4.47Å; F73-F94 HydrophobicContact CG-CE1 4.09Å; L92-F94 HydrophobicContact CB-CD2 4.21Å; L92-F94 HydrophobicContact CB-CE2 3.6Å; L92-F94 HydrophobicContact CD1-CE2 4.06Å; L92-F94 HydrophobicContact CD1-CZ 4.45Å; L92-F94 HydrophobicContact CG-CE2 4.44Å; F94-E96 PolarHBondContact O-N 2.9Å; F94-I99 HydrophobicContact CB-CG2 3.82Å; F94-I99 HydrophobicContact CD1-CB 4.49Å; F94-I99 HydrophobicContact CD1-CG2 3.64Å; F94-I99 HydrophobicContact CD2-CG2 3.8Å; F94-I99 HydrophobicContact CE1-CD1 4.1Å; F94-I99 HydrophobicContact CE1-CG2 4.07Å; F94-I99 HydrophobicContact CE2-CG2 4.19Å; F94-I99 HydrophobicContact CG-CG2 3.48Å; F94-I99 VanDerWaalsContact CG-CG2 3.48Å; F94-I99 HydrophobicContact CZ-CD1 4.32Å; F94-I99 HydrophobicContact CZ-CG2 4.33Å; F94-V104 HydrophobicContact CE2-CG2 4.04Å; F94-V104 HydrophobicContact CZ-CG2 4.28Å
95	R	87.8	Confident	87.2	Confident	96 Å²	96	43.3 Å²	43.3	36%	0.362	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	137	167.4	179.6	-179.8	-69.5	-93.3	-2.5	109	T25 G72 G97 T98	T25-R95 PolarHBondContact OG1-NH1 3.42Å; G72-R95 PolarHBondContact O-N 3.01Å; R95-G97 PolarHBondContact O-N 3.42Å; R95-T98 HydrophobicContact CB-CG2 3.75Å; R95-T98 HydrophobicContact CG-CG2 4.02Å; R95-T98 WeakPolarHBondContact O-CG2 3.19Å; R95-T98 PolarHBondContact O-N 3.49Å; R95-T98 PolarHBondContact O-OG1 3.01Å
96	E	84.8	Confident	88.3	Confident	116 Å²	116	43.2 Å²	43.2	54%	0.542	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	135.1	-178.1	-177.2	172.1	-153.6	0	0	111.2	G26 S28 F94 T98	G26-E96 VanDerWaalsContact C-CB 3.4Å; G26-E96 WeakPolarHBondContact CA-OE2 3.31Å; G26-E96 WeakPolarHBondContact O-CB 3.45Å; G26-E96 PolarHBondContact O-N 3.02Å; S28-E96 WeakPolarHBondContact OG-CA 3.46Å; F94-E96 PolarHBondContact O-N 2.9Å; E96-T98 VanDerWaalsContact C-N 3.33Å; E96-T98 PolarHBondContact O-N 2.66Å
97	G	78.1	Confident	88.5	Confident	77 Å²	77	46.6 Å²	46.6	79%	0.794	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	5.4	179.6	0	0	0	0	0	115.8	R95	R95-G97 PolarHBondContact O-N 3.42Å
98	T	83.9	Confident	88.6	Confident	61 Å²	61	46 Å²	46	37%	0.374	25%	0.251	S	S	.	.	S	Bend	trans	-88.4	-27.4	178.8	64.1	0	0	0	0	114.5	G71 R95 E96	G71-T98 PolarHBondContact O-OG1 3.48Å; R95-T98 HydrophobicContact CB-CG2 3.75Å; R95-T98 HydrophobicContact CG-CG2 4.02Å; R95-T98 WeakPolarHBondContact O-CG2 3.19Å; R95-T98 PolarHBondContact O-N 3.49Å; R95-T98 PolarHBondContact O-OG1 3.01Å; E96-T98 VanDerWaalsContact C-N 3.33Å; E96-T98 PolarHBondContact O-N 2.66Å
99	I	85.4	Confident	88.5	Confident	19 Å²	19	48.7 Å²	48.7	10%	0.097	27%	0.265	C	S	.	.			trans	-151.3	149.1	-174.5	-159.3	165.2	0	0	0	110.7	F30 Y68 F94 D103 V104	F30-I99 HydrophobicContact CE2-CG2 3.75Å; F30-I99 HydrophobicContact CZ-CG2 4.09Å; F30-I99 WeakPolarHBondContact CZ-O 3.29Å; Y68-I99 HydrophobicContact CE1-CD1 4.39Å; F94-I99 HydrophobicContact CB-CG2 3.82Å; F94-I99 HydrophobicContact CD1-CB 4.49Å; F94-I99 HydrophobicContact CD1-CG2 3.64Å; F94-I99 HydrophobicContact CD2-CG2 3.8Å; F94-I99 HydrophobicContact CE1-CD1 4.1Å; F94-I99 HydrophobicContact CE1-CG2 4.07Å; F94-I99 HydrophobicContact CE2-CG2 4.19Å; F94-I99 HydrophobicContact CG-CG2 3.48Å; F94-I99 VanDerWaalsContact CG-CG2 3.48Å; F94-I99 HydrophobicContact CZ-CD1 4.32Å; F94-I99 HydrophobicContact CZ-CG2 4.33Å; I99-D103 HydrophobicContact CD1-CB 4.16Å; I99-D103 HydrophobicContact CG1-CB 3.51Å; I99-V104 HydrophobicContact CD1-CG2 3.7Å; I99-V104 HydrophobicContact CG1-CG2 3.85Å; I99-V104 HydrophobicContact CG2-CG2 3.91Å
100	N	86.5	Confident	88.4	Confident	110 Å²	110	54.7 Å²	54.7	59%	0.588	29%	0.293	S	S	*	.			trans	-108.2	166.3	173.4	-55	-73.1	0	0	0	111.4	H102 D103 V104	N100-H102 VanDerWaalsContact C-N 3.26Å; N100-H102 PolarHBondContact O-N 3.06Å; N100-D103 WeakPolarHBondContact CB-OD2 3.37Å; N100-D103 PolarHBondContact N-OD2 3.24Å; N100-D103 PolarHBondContact ND2-OD2 2.94Å; N100-D103 WeakPolarHBondContact O-CB 3.42Å; N100-D103 PolarHBondContact O-N 2.98Å; N100-V104 WeakPolarHBondContact O-CG2 3.34Å; N100-V104 PolarHBondContact O-N 3.45Å
101	V	87.9	Confident	88.1	Confident	32 Å²	32	56.1 Å²	56.1	19%	0.194	30%	0.299	C	S	.	.	H	α-helix	trans	-48.9	-47.4	176.1	-180	0	0	0	0	112.4	F30 D103 V104 E105 V128 D130	F30-V101 HydrophobicContact CD1-CG2 3.88Å; F30-V101 HydrophobicContact CE1-CG2 3.81Å; V101-D103 VanDerWaalsContact C-N 3.32Å; V101-D103 PolarHBondContact O-N 3.36Å; V101-V104 WeakPolarHBondContact O-CB 3.41Å; V101-V104 PolarHBondContact O-N 3.4Å; V101-E105 WeakPolarHBondContact O-CB 3.37Å; V101-E105 PolarHBondContact O-N 3.12Å; V101-V128 HydrophobicContact CG1-CB 3.98Å; V101-V128 HydrophobicContact CG1-CG1 3.88Å; V101-D130 HydrophobicContact CG2-CB 4.17Å; V101-D130 WeakPolarHBondContact CG2-OD1 3.43Å; V101-D130 WeakPolarHBondContact CG2-OD2 3.29Å
102	H	88.3	Confident	87.9	Confident	126 Å²	126	57.8 Å²	57.8	58%	0.583	31%	0.305	S	S	*	.	H	α-helix	trans	-65.7	-37	-177.6	-170.4	60.3	0	0	0	112.2	N100 E105 T106	N100-H102 VanDerWaalsContact C-N 3.26Å; N100-H102 PolarHBondContact O-N 3.06Å; H102-E105 PolarHBondContact O-N 3.48Å; H102-T106 WeakPolarHBondContact O-CB 3.29Å; H102-T106 VanDerWaalsContact O-CG2 3.22Å; H102-T106 WeakPolarHBondContact O-CG2 3.28Å; H102-T106 PolarHBondContact O-N 3.23Å; H102-T106 PolarHBondContact O-OG1 3.3Å
103	D	88.5	Confident	87.5	Confident	65 Å²	65	63.4 Å²	63.4	35%	0.348	34%	0.339	S	S	.	.	H	α-helix	trans	-69.4	-39.3	177.8	-57.6	-40.9	0	0	0	110.9	I99 N100 V101 T106 Q107	I99-D103 HydrophobicContact CD1-CB 4.16Å; I99-D103 HydrophobicContact CG1-CB 3.51Å; N100-D103 WeakPolarHBondContact CB-OD2 3.37Å; N100-D103 PolarHBondContact N-OD2 3.24Å; N100-D103 PolarHBondContact ND2-OD2 2.94Å; N100-D103 WeakPolarHBondContact O-CB 3.42Å; N100-D103 PolarHBondContact O-N 2.98Å; V101-D103 VanDerWaalsContact C-N 3.32Å; V101-D103 PolarHBondContact O-N 3.36Å; D103-T106 WeakPolarHBondContact CA-OG1 3.47Å; D103-T106 PolarHBondContact O-OG1 2.85Å; D103-T106 VanDerWaalsContact O-OG1 3.06Å; D103-Q107 WeakPolarHBondContact O-CB 3.36Å; D103-Q107 PolarHBondContact O-N 3.06Å
104	V	89.4	Confident	87.2	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.3	-48.6	173.6	174.1	0	0	0	0	110.3	F30 L32 Y68 L92 F94 I99 N100 V101 F108 V128	F30-V104 HydrophobicContact CD2-CG2 4.21Å; F30-V104 HydrophobicContact CE2-CG2 4.36Å; F30-V104 HydrophobicContact CG-CG2 4.3Å; L32-V104 HydrophobicContact CD1-CG1 4.24Å; Y68-V104 HydrophobicContact CE1-CG1 4.43Å; Y68-V104 WeakPolarHBondContact OH-CG1 3.42Å; Y68-V104 PolarHBondContact OH-O 3.43Å; L92-V104 HydrophobicContact CD1-CG1 3.75Å; F94-V104 HydrophobicContact CE2-CG2 4.04Å; F94-V104 HydrophobicContact CZ-CG2 4.28Å; I99-V104 HydrophobicContact CD1-CG2 3.7Å; I99-V104 HydrophobicContact CG1-CG2 3.85Å; I99-V104 HydrophobicContact CG2-CG2 3.91Å; N100-V104 WeakPolarHBondContact O-CG2 3.34Å; N100-V104 PolarHBondContact O-N 3.45Å; V101-V104 WeakPolarHBondContact O-CB 3.41Å; V101-V104 PolarHBondContact O-N 3.4Å; V104-F108 WeakPolarHBondContact O-CB 3.44Å; V104-F108 PolarHBondContact O-N 3.25Å; V104-F108 VanDerWaalsContact O-N 3.07Å; V104-V128 HydrophobicContact CB-CG1 4.26Å; V104-V128 HydrophobicContact CG1-CG1 3.89Å; V104-V128 HydrophobicContact CG1-CG2 4.45Å
105	E	90.8	Very high	86.7	Confident	64 Å²	64	66 Å²	66	30%	0.299	35%	0.349	S	S	.	.	H	α-helix	trans	-65	-43.7	-178.8	-175.3	178.5	-174.4	0	0	112.2	V101 H102 F108 N109 V128	V101-E105 WeakPolarHBondContact O-CB 3.37Å; V101-E105 PolarHBondContact O-N 3.12Å; H102-E105 PolarHBondContact O-N 3.48Å; E105-F108 PolarHBondContact O-N 2.88Å; E105-N109 WeakPolarHBondContact CG-ND2 3.05Å; E105-N109 WeakPolarHBondContact O-CB 3.48Å; E105-N109 PolarHBondContact O-N 3.07Å; E105-N109 PolarHBondContact O-ND2 2.89Å; E105-V128 HydrophobicContact CB-CB 4.29Å; E105-V128 HydrophobicContact CB-CG2 3.75Å; E105-V128 HydrophobicContact CG-CG2 4.1Å
106	T	90.4	Very high	86.5	Confident	59 Å²	59	63.1 Å²	63.1	36%	0.362	35%	0.347	S	S	.	.	H	α-helix	trans	-67.6	-44.4	-179.9	50.7	0	0	0	0	112	H102 D103 F108 N109 Q110	H102-T106 WeakPolarHBondContact O-CB 3.29Å; H102-T106 VanDerWaalsContact O-CG2 3.22Å; H102-T106 WeakPolarHBondContact O-CG2 3.28Å; H102-T106 PolarHBondContact O-N 3.23Å; H102-T106 PolarHBondContact O-OG1 3.3Å; D103-T106 WeakPolarHBondContact CA-OG1 3.47Å; D103-T106 PolarHBondContact O-OG1 2.85Å; D103-T106 VanDerWaalsContact O-OG1 3.06Å; T106-F108 VanDerWaalsContact C-N 3.34Å; T106-F108 PolarHBondContact O-N 2.91Å; T106-N109 PolarHBondContact O-N 2.74Å; T106-Q110 WeakPolarHBondContact O-CB 3.24Å; T106-Q110 PolarHBondContact O-N 2.93Å
107	Q	89.9	Confident	86.4	Confident	71 Å²	71	62.1 Å²	62.1	33%	0.332	35%	0.352	S	S	.	.	H	α-helix	trans	-59.9	-43.8	174.3	-82.1	-173	5.1	0	0	112	I67 Y68 D103 Q110 Y111	I67-Q107 HydrophobicContact CG2-CB 4.38Å; Y68-Q107 HydrophobicContact CE1-CB 3.98Å; Y68-Q107 VanDerWaalsContact CE1-OE1 3.24Å; D103-Q107 WeakPolarHBondContact O-CB 3.36Å; D103-Q107 PolarHBondContact O-N 3.06Å; Q107-Q110 PolarHBondContact O-N 2.83Å; Q107-Y111 PolarHBondContact O-N 3.1Å
108	F	90.3	Very high	86.8	Confident	1 Å²	1	66.1 Å²	66.1	0%	0.004	34%	0.343	C	S	.	.	H	α-helix	trans	-63.1	-45.4	178.3	-171.1	-103.7	0	0	0	111.8	L32 F34 M63 F64 I67 V104 E105 T106 Q110 Y111 K112 I123 V126	L32-F108 HydrophobicContact CD1-CD2 4.49Å; L32-F108 HydrophobicContact CD1-CG 4.37Å; F34-F108 HydrophobicContact CB-CE1 4.44Å; F34-F108 HydrophobicContact CD1-CE1 4.46Å; F34-F108 HydrophobicContact CD1-CZ 4.03Å; F34-F108 HydrophobicContact CD2-CZ 4.43Å; F34-F108 HydrophobicContact CE1-CZ 4.15Å; F34-F108 HydrophobicContact CG-CE1 4.36Å; F34-F108 HydrophobicContact CG-CZ 4.15Å; F34-F108 HydrophobicContact CZ-CZ 4.4Å; M63-F108 HydrophobicContact CE-CE2 3.97Å; M63-F108 HydrophobicContact CE-CZ 4.36Å; F64-F108 AromaticContact CE1-CD2 3.84Å; F64-F108 HydrophobicContact CE1-CD2 3.84Å; F64-F108 AromaticContact CE1-CE2 3.79Å; F64-F108 HydrophobicContact CE1-CE2 3.79Å; F64-F108 AromaticContact CE2-CE2 3.77Å; F64-F108 HydrophobicContact CE2-CE2 3.77Å; F64-F108 HydrophobicContact CE2-CZ 4.45Å; F64-F108 AromaticContact CZ-CD2 3.75Å; F64-F108 HydrophobicContact CZ-CD2 3.75Å; F64-F108 AromaticContact CZ-CE2 3.2Å; F64-F108 HydrophobicContact CZ-CE2 3.2Å; F64-F108 AromaticContact CZ-CZ 3.96Å; F64-F108 HydrophobicContact CZ-CZ 3.96Å; I67-F108 HydrophobicContact CD1-CD2 3.61Å; I67-F108 HydrophobicContact CD1-CE2 3.82Å; V104-F108 WeakPolarHBondContact O-CB 3.44Å; V104-F108 PolarHBondContact O-N 3.25Å; V104-F108 VanDerWaalsContact O-N 3.07Å; E105-F108 PolarHBondContact O-N 2.88Å; T106-F108 VanDerWaalsContact C-N 3.34Å; T106-F108 PolarHBondContact O-N 2.91Å; F108-Q110 VanDerWaalsContact C-N 3.33Å; F108-Q110 PolarHBondContact O-N 2.84Å; F108-Y111 PolarHBondContact O-N 2.79Å; F108-Y111 VanDerWaalsContact O-N 3.16Å; F108-K112 PolarHBondContact O-N 3.03Å; F108-I123 HydrophobicContact CE1-CG2 3.73Å; F108-I123 HydrophobicContact CZ-CD1 3.91Å; F108-I123 HydrophobicContact CZ-CG2 4.01Å; F108-V126 HydrophobicContact CD1-CB 4.38Å; F108-V126 HydrophobicContact CD1-CG1 3.69Å; F108-V126 HydrophobicContact CD1-CG2 3.77Å; F108-V126 HydrophobicContact CE1-CB 4.45Å; F108-V126 HydrophobicContact CE1-CG1 4.02Å; F108-V126 HydrophobicContact CE1-CG2 3.52Å
109	N	90.2	Very high	86.8	Confident	56 Å²	56	65.2 Å²	65.2	30%	0.299	33%	0.333	S	S	.	.	H	α-helix	trans	-63.9	-36.8	178.9	-81.8	-46.8	0	0	0	112.7	E105 T106 Y111 K112	E105-N109 WeakPolarHBondContact CG-ND2 3.05Å; E105-N109 WeakPolarHBondContact O-CB 3.48Å; E105-N109 PolarHBondContact O-N 3.07Å; E105-N109 PolarHBondContact O-ND2 2.89Å; T106-N109 PolarHBondContact O-N 2.74Å; N109-Y111 PolarHBondContact O-N 3.05Å; N109-K112 WeakPolarHBondContact O-CB 3.25Å; N109-K112 PolarHBondContact O-N 3.03Å; N109-K112 VanDerWaalsContact OD1-CE 3.28Å; N109-K112 WeakPolarHBondContact OD1-CE 3.38Å; N109-K112 PolarHBondContact OD1-NZ 3.43Å
110	Q	89.2	Confident	86.9	Confident	166 Å²	166	70 Å²	70	78%	0.776	36%	0.359	S	S	*	.	H	α-helix	trans	-61.9	-34.9	175.2	-175.5	177.7	-11.2	0	0	112	T106 Q107 F108	T106-Q110 WeakPolarHBondContact O-CB 3.24Å; T106-Q110 PolarHBondContact O-N 2.93Å; Q107-Q110 PolarHBondContact O-N 2.83Å; F108-Q110 VanDerWaalsContact C-N 3.33Å; F108-Q110 PolarHBondContact O-N 2.84Å
111	Y	86.4	Confident	86.9	Confident	30 Å²	30	65.1 Å²	65.1	12%	0.118	33%	0.333	C	S	.	.	H	α-helix	trans	-85.9	-6.3	-176.7	-155.2	-98	0	0	0	114.3	M63 Q66 I67 Q107 F108 N109 T113 E114 A115	M63-Y111 HydrophobicContact CG-CE1 4.33Å; Q66-Y111 HydrophobicContact CB-CE1 4.41Å; I67-Y111 HydrophobicContact CD1-CD1 3.72Å; I67-Y111 HydrophobicContact CD1-CG 4.1Å; I67-Y111 HydrophobicContact CG1-CD1 3.31Å; I67-Y111 HydrophobicContact CG1-CD2 4.14Å; I67-Y111 HydrophobicContact CG1-CE1 3.89Å; I67-Y111 HydrophobicContact CG1-CG 3.46Å; I67-Y111 VanDerWaalsContact CG1-CG 3.46Å; Q107-Y111 PolarHBondContact O-N 3.1Å; F108-Y111 PolarHBondContact O-N 2.79Å; F108-Y111 VanDerWaalsContact O-N 3.16Å; N109-Y111 PolarHBondContact O-N 3.05Å; Y111-T113 VanDerWaalsContact C-N 3.29Å; Y111-T113 PolarHBondContact O-N 3Å; Y111-E114 HydrophobicContact CD1-CB 4.17Å; Y111-E114 HydrophobicContact CD2-CB 4.14Å; Y111-E114 HydrophobicContact CE1-CB 4.01Å; Y111-E114 HydrophobicContact CE1-CG 4.08Å; Y111-E114 HydrophobicContact CE2-CB 3.95Å; Y111-E114 HydrophobicContact CE2-CG 3.87Å; Y111-E114 WeakPolarHBondContact CE2-OE2 3.43Å; Y111-E114 HydrophobicContact CG-CB 4.23Å; Y111-E114 PolarHBondContact O-N 2.82Å; Y111-E114 PolarHBondContact OH-OE1 3.21Å; Y111-A115 HydrophobicContact CD1-CB 4.38Å; Y111-A115 PolarHBondContact O-N 3.47Å
112	K	86.9	Confident	86.9	Confident	52 Å²	52	66.6 Å²	66.6	23%	0.226	34%	0.342	C	S	.	.	H	α-helix	trans	-50.9	-43.8	-178.7	-86.3	179.8	165.5	161.7	0	113.9	F108 N109 E114 A115 A116 I123 V126	F108-K112 PolarHBondContact O-N 3.03Å; N109-K112 WeakPolarHBondContact O-CB 3.25Å; N109-K112 PolarHBondContact O-N 3.03Å; N109-K112 VanDerWaalsContact OD1-CE 3.28Å; N109-K112 WeakPolarHBondContact OD1-CE 3.38Å; N109-K112 PolarHBondContact OD1-NZ 3.43Å; K112-E114 VanDerWaalsContact C-N 3.32Å; K112-E114 PolarHBondContact O-N 2.81Å; K112-A115 WeakPolarHBondContact O-CB 3.43Å; K112-A115 PolarHBondContact O-N 3.46Å; K112-A116 PolarHBondContact O-N 3.42Å; K112-A116 VanDerWaalsContact O-N 3.09Å; K112-I123 HydrophobicContact CG-CB 4.31Å; K112-I123 HydrophobicContact CG-CG2 4.47Å; K112-V126 VanDerWaalsContact NZ-CG2 3.34Å
113	T	82.8	Confident	87.1	Confident	117 Å²	117	61.4 Å²	61.4	72%	0.718	32%	0.319	S	S	*	.	H	α-helix	trans	-69	-32.6	-178.8	-49.3	0	0	0	0	112	Y111 S117	Y111-T113 VanDerWaalsContact C-N 3.29Å; Y111-T113 PolarHBondContact O-N 3Å; T113-S117 PolarHBondContact O-N 3.27Å; T113-S117 PolarHBondContact O-OG 3.4Å
114	E	82.8	Confident	87	Confident	66 Å²	66	60.5 Å²	60.5	31%	0.308	32%	0.317	S	S	.	.	H	α-helix	trans	-76.2	-35.8	175.9	-168.1	171	163.3	0	0	111.5	Y111 K112 A116 S117 R118	Y111-E114 HydrophobicContact CD1-CB 4.17Å; Y111-E114 HydrophobicContact CD2-CB 4.14Å; Y111-E114 HydrophobicContact CE1-CB 4.01Å; Y111-E114 HydrophobicContact CE1-CG 4.08Å; Y111-E114 HydrophobicContact CE2-CB 3.95Å; Y111-E114 HydrophobicContact CE2-CG 3.87Å; Y111-E114 WeakPolarHBondContact CE2-OE2 3.43Å; Y111-E114 HydrophobicContact CG-CB 4.23Å; Y111-E114 PolarHBondContact O-N 2.82Å; Y111-E114 PolarHBondContact OH-OE1 3.21Å; K112-E114 VanDerWaalsContact C-N 3.32Å; K112-E114 PolarHBondContact O-N 2.81Å; E114-A116 VanDerWaalsContact C-N 3.31Å; E114-A116 PolarHBondContact O-N 3.38Å; E114-S117 PolarHBondContact O-N 2.91Å; E114-S117 PolarHBondContact O-OG 2.79Å; E114-S117 VanDerWaalsContact O-OG 3.11Å; E114-R118 HydrophobicContact CG-CG 4.14Å; E114-R118 WeakPolarHBondContact O-CB 3.08Å; E114-R118 PolarHBondContact O-N 3.48Å; E114-R118 IonicContact OE1-CZ 3.35Å; E114-R118 VanDerWaalsContact OE1-CZ 3.28Å; E114-R118 IonicContact OE1-NE 2.89Å; E114-R118 PolarHBondContact OE1-NE 2.83Å; E114-R118 IonicContact OE1-NH2 3.81Å; E114-R118 PolarHBondContact OE1-NH2 3.4Å
115	A	79.9	Confident	86.9	Confident	1 Å²	1	66 Å²	66	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-59.2	-42.3	171.9	0	0	0	0	0	112.1	M63 Y111 K112 S117 Y119 N120 L121 I123	M63-A115 HydrophobicContact CG-CB 4.28Å; M63-A115 HydrophobicContact SD-CB 3.49Å; M63-A115 WeakPolarHBondContact SD-CB 3.5Å; Y111-A115 HydrophobicContact CD1-CB 4.38Å; Y111-A115 PolarHBondContact O-N 3.47Å; K112-A115 WeakPolarHBondContact O-CB 3.43Å; K112-A115 PolarHBondContact O-N 3.46Å; A115-S117 VanDerWaalsContact C-N 3.33Å; A115-S117 PolarHBondContact O-N 2.88Å; A115-Y119 PolarHBondContact O-N 3.24Å; A115-N120 PolarHBondContact O-N 2.83Å; A115-L121 PolarHBondContact O-N 3.05Å; A115-I123 HydrophobicContact CB-CD1 3.7Å
116	A	83.8	Confident	86.8	Confident	37 Å²	37	64 Å²	64	31%	0.306	34%	0.338	S	S	.	.	H	α-helix	trans	-64	-36.4	176.8	0	0	0	0	0	112.8	K112 E114 N120 L121	K112-A116 PolarHBondContact O-N 3.42Å; K112-A116 VanDerWaalsContact O-N 3.09Å; E114-A116 VanDerWaalsContact C-N 3.31Å; E114-A116 PolarHBondContact O-N 3.38Å; A116-N120 VanDerWaalsContact O-CA 3.3Å; A116-N120 WeakPolarHBondContact O-CA 3.3Å; A116-N120 PolarHBondContact O-N 3.34Å; A116-L121 VanDerWaalsContact CA-O 3.28Å; A116-L121 WeakPolarHBondContact CA-O 3.45Å; A116-L121 PolarHBondContact N-O 2.78Å
117	S	82.9	Confident	86.7	Confident	94 Å²	94	64 Å²	64	66%	0.657	34%	0.341	S	S	*	.	H	α-helix	trans	-84.4	-37.8	-177.7	62	0	0	0	0	114	T113 E114 A115	T113-S117 PolarHBondContact O-N 3.27Å; T113-S117 PolarHBondContact O-OG 3.4Å; E114-S117 PolarHBondContact O-N 2.91Å; E114-S117 PolarHBondContact O-OG 2.79Å; E114-S117 VanDerWaalsContact O-OG 3.11Å; A115-S117 VanDerWaalsContact C-N 3.33Å; A115-S117 PolarHBondContact O-N 2.88Å
118	R	85.6	Confident	86.7	Confident	162 Å²	162	61.3 Å²	61.3	61%	0.611	33%	0.329	S	S	*	.	H	α-helix	trans	-85.8	-41.9	-177.3	-71.5	-167.1	-174.1	-118.9	5.7	114.1	E114	E114-R118 HydrophobicContact CG-CG 4.14Å; E114-R118 WeakPolarHBondContact O-CB 3.08Å; E114-R118 PolarHBondContact O-N 3.48Å; E114-R118 IonicContact OE1-CZ 3.35Å; E114-R118 VanDerWaalsContact OE1-CZ 3.28Å; E114-R118 IonicContact OE1-NE 2.89Å; E114-R118 PolarHBondContact OE1-NE 2.83Å; E114-R118 IonicContact OE1-NH2 3.81Å; E114-R118 PolarHBondContact OE1-NH2 3.4Å
119	Y	84.4	Confident	86.6	Confident	42 Å²	42	63.8 Å²	63.8	17%	0.165	35%	0.347	C	S	.	.	S	Bend	trans	-106.8	-2.6	-173.4	-60.7	-81.3	0	0	0	112.2	D59 E62 M63 Q66 A115 L121	D59-Y119 HydrophobicContact CB-CD1 4.39Å; E62-Y119 HydrophobicContact CB-CE1 4.21Å; M63-Y119 HydrophobicContact CB-CD2 3.9Å; M63-Y119 HydrophobicContact CB-CE1 4.42Å; M63-Y119 HydrophobicContact CB-CE2 3.71Å; M63-Y119 HydrophobicContact CB-CG 4.35Å; M63-Y119 HydrophobicContact CG-CD2 3.9Å; M63-Y119 HydrophobicContact CG-CE2 3.9Å; Q66-Y119 WeakPolarHBondContact CG-OH 3.39Å; A115-Y119 PolarHBondContact O-N 3.24Å; Y119-L121 PolarHBondContact O-N 3.41Å
120	N	87.4	Confident	86.4	Confident	119 Å²	119	65.6 Å²	65.6	64%	0.636	36%	0.357	S	S	*	.			trans	51.6	45.8	-173.2	-168.9	38.6	0	0	0	110.6	N38 A115 A116	N38-N120 PolarHBondContact ND2-O 2.8Å; A115-N120 PolarHBondContact O-N 2.83Å; A116-N120 VanDerWaalsContact O-CA 3.3Å; A116-N120 WeakPolarHBondContact O-CA 3.3Å; A116-N120 PolarHBondContact O-N 3.34Å
121	L	86.6	Confident	85.8	Confident	7 Å²	7	59.6 Å²	59.6	4%	0.037	33%	0.331	C	S	.	.			trans	-119.1	115.8	177.7	-61.9	179.2	0	0	0	109.5	I36 L39 L56 I60 A115 A116 Y119 I123	I36-L121 HydrophobicContact CD1-CD2 4.34Å; I36-L121 HydrophobicContact CG2-CD2 4.06Å; L39-L121 HydrophobicContact CD1-CD2 3.82Å; L39-L121 HydrophobicContact CG-CD2 4.46Å; L56-L121 HydrophobicContact CD1-CD2 4.19Å; I60-L121 HydrophobicContact CG1-CD1 4.18Å; A115-L121 PolarHBondContact O-N 3.05Å; A116-L121 VanDerWaalsContact CA-O 3.28Å; A116-L121 WeakPolarHBondContact CA-O 3.45Å; A116-L121 PolarHBondContact N-O 2.78Å; Y119-L121 PolarHBondContact O-N 3.41Å; L121-I123 PolarHBondContact O-N 2.66Å
122	T	89.4	Confident	84.4	Confident	64 Å²	64	63.2 Å²	63.2	39%	0.393	36%	0.358	S	S	.	.			trans	-92.1	104.1	177.3	-55.9	0	0	0	0	109.1	I36 S37 N38	I36-T122 WeakPolarHBondContact CA-O 3.4Å; S37-T122 PolarHBondContact N-O 3.48Å; S37-T122 WeakPolarHBondContact OG-CB 3.28Å; S37-T122 WeakPolarHBondContact OG-CG2 3.07Å; S37-T122 PolarHBondContact OG-O 3.03Å; N38-T122 PolarHBondContact OD1-N 2.63Å
123	I	90.8	Very high	82.6	Confident	17 Å²	17	65.7 Å²	65.7	9%	0.087	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.9	-172.6	-60.2	161.9	0	0	0	110.7	F34 H35 M63 F108 K112 A115 L121 V126	F34-I123 HydrophobicContact CB-CG2 3.91Å; F34-I123 HydrophobicContact CD2-CB 4.39Å; F34-I123 HydrophobicContact CD2-CG1 4.09Å; F34-I123 HydrophobicContact CD2-CG2 3.55Å; F34-I123 HydrophobicContact CE2-CD1 4.39Å; F34-I123 HydrophobicContact CE2-CG1 4.12Å; F34-I123 HydrophobicContact CE2-CG2 4.36Å; F34-I123 HydrophobicContact CG-CG2 3.96Å; H35-I123 CarbonylContact O-C 3.49Å; H35-I123 WeakPolarHBondContact O-CA 3.37Å; M63-I123 HydrophobicContact CE-CD1 3.99Å; M63-I123 HydrophobicContact SD-CD1 3.8Å; F108-I123 HydrophobicContact CE1-CG2 3.73Å; F108-I123 HydrophobicContact CZ-CD1 3.91Å; F108-I123 HydrophobicContact CZ-CG2 4.01Å; K112-I123 HydrophobicContact CG-CB 4.31Å; K112-I123 HydrophobicContact CG-CG2 4.47Å; A115-I123 HydrophobicContact CB-CD1 3.7Å; L121-I123 PolarHBondContact O-N 2.66Å; I123-V126 HydrophobicContact CG2-CG2 4Å
124	S	88	Confident	80.7	Confident	45 Å²	45	65.1 Å²	65.1	32%	0.315	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	165.7	179.2	54.4	0	0	0	0	110.6	H35	H35-S124 WeakPolarHBondContact CB-OG 3.29Å; H35-S124 PolarHBondContact N-O 2.83Å; H35-S124 PolarHBondContact O-N 2.84Å; H35-S124 PolarHBondContact O-OG 2.84Å
125	D	85.6	Confident	78.6	Confident	117 Å²	117	68.8 Å²	68.8	63%	0.626	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	46.3	71.4	173.8	-165.5	33.7	0	0	0	114.5	F34 H35	F34-D125 WeakPolarHBondContact CA-O 3.45Å; H35-D125 HydrophobicContact CB-CB 4.5Å; H35-D125 IonicContact CD2-OD2 2.74Å; H35-D125 IonicContact NE2-OD2 3.28Å
126	V	88.8	Confident	76.6	Confident	20 Å²	20	73.6 Å²	73.6	12%	0.121	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.9	-177	179.6	0	0	0	0	109	S33 F34 F108 K112 I123 V128	S33-V126 WeakPolarHBondContact O-CA 3.45Å; F34-V126 HydrophobicContact CB-CG2 3.98Å; F108-V126 HydrophobicContact CD1-CB 4.38Å; F108-V126 HydrophobicContact CD1-CG1 3.69Å; F108-V126 HydrophobicContact CD1-CG2 3.77Å; F108-V126 HydrophobicContact CE1-CB 4.45Å; F108-V126 HydrophobicContact CE1-CG1 4.02Å; F108-V126 HydrophobicContact CE1-CG2 3.52Å; K112-V126 VanDerWaalsContact NZ-CG2 3.34Å; I123-V126 HydrophobicContact CG2-CG2 4Å; V126-V128 HydrophobicContact CG1-CG2 4.19Å
127	S	89.8	Confident	74.6	Confident	60 Å²	60	75.3 Å²	75.3	42%	0.42	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.6	172.6	176.3	0	0	0	0	109	L32 S33	L32-S127 WeakPolarHBondContact CA-O 3.41Å; S33-S127 PolarHBondContact N-O 3.25Å; S33-S127 PolarHBondContact O-N 2.83Å
128	V	89.9	Confident	72.6	Confident	14 Å²	14	77.1 Å²	77.1	9%	0.085	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.7	172.6	-167.6	0	0	0	0	108.3	F30 F31 L32 V101 V104 E105 V126	F30-V128 HydrophobicContact CB-CG1 4.37Å; F31-V128 WeakPolarHBondContact O-CA 3Å; L32-V128 HydrophobicContact CD1-CG2 3.78Å; L32-V128 HydrophobicContact CG-CG2 4.17Å; V101-V128 HydrophobicContact CG1-CB 3.98Å; V101-V128 HydrophobicContact CG1-CG1 3.88Å; V104-V128 HydrophobicContact CB-CG1 4.26Å; V104-V128 HydrophobicContact CG1-CG1 3.89Å; V104-V128 HydrophobicContact CG1-CG2 4.45Å; E105-V128 HydrophobicContact CB-CB 4.29Å; E105-V128 HydrophobicContact CB-CG2 3.75Å; E105-V128 HydrophobicContact CG-CG2 4.1Å; V126-V128 HydrophobicContact CG1-CG2 4.19Å
129	S	88.2	Confident	70.6	Confident	54 Å²	54	76.1 Å²	76.1	38%	0.378	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140.5	176.2	-56.1	0	0	0	0	109.1	F31 V131	F31-S129 PolarHBondContact N-O 2.67Å; F31-S129 PolarHBondContact O-N 3.2Å; S129-V131 PolarHBondContact O-N 3.14Å
130	D	85.2	Confident	68.7	Low	93 Å²	93	76.6 Å²	76.6	50%	0.497	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	138.7	163.6	-74.4	-50.3	0	0	0	108.3	F30 V101 P132	F30-D130 WeakPolarHBondContact CD1-OD1 3.35Å; F30-D130 WeakPolarHBondContact CE1-OD1 3.38Å; V101-D130 HydrophobicContact CG2-CB 4.17Å; V101-D130 WeakPolarHBondContact CG2-OD1 3.43Å; V101-D130 WeakPolarHBondContact CG2-OD2 3.29Å; D130-P132 WeakPolarHBondContact O-CD 3.49Å
131	V	75.8	Confident	66.9	Low	40 Å²	40	74.4 Å²	74.4	24%	0.242	46%	0.463	C	S	.	.			trans	-82.8	103	161.7	-176.3	0	0	0	0	104.8	F29 F31 S129 F133	F29-V131 HydrophobicContact CB-CB 4.21Å; F29-V131 HydrophobicContact CB-CG2 4.24Å; F29-V131 PolarHBondContact O-N 2.84Å; F29-V131 VanDerWaalsContact O-N 3.14Å; F31-V131 HydrophobicContact CB-CG2 3.88Å; S129-V131 PolarHBondContact O-N 3.14Å; V131-F133 PolarHBondContact O-N 3.12Å
132	P	58.3	Low	65.5	Low	106 Å²	106	76.7 Å²	76.7	69%	0.688	49%	0.488	S	S	*	.			trans	-60.9	122	171.7	-7.6	24.8	0	0	0	104.4	D130 P134	D130-P132 WeakPolarHBondContact O-CD 3.49Å; P132-P134 WeakPolarHBondContact O-CD 3.49Å; P132-P134 VanDerWaalsContact O-N 3.14Å
133	F	48.7	Very low	64	Low	104 Å²	104	78 Å²	78	46%	0.456	50%	0.495	S	S	.	.			trans	-60.8	116.6	178.1	-64.8	-94.2	0	0	0	109.5	V27 F29 V131 F135	V27-F133 VanDerWaalsContact O-CZ 3.24Å; V27-F133 WeakPolarHBondContact O-CZ 3.49Å; F29-F133 AromaticContact CD2-CE1 3.82Å; F29-F133 HydrophobicContact CD2-CE1 3.82Å; F29-F133 HydrophobicContact CD2-CZ 4.33Å; F29-F133 HydrophobicContact CE2-CE1 4.2Å; V131-F133 PolarHBondContact O-N 3.12Å; F133-F135 HydrophobicContact CD1-CB 4.07Å; F133-F135 VanDerWaalsContact CD1-O 3.29Å; F133-F135 WeakPolarHBondContact CD1-O 3.36Å
134	P	41.9	Very low	63	Low	106 Å²	106	81.8 Å²	81.8	69%	0.688	52%	0.521	S	S	*	.			trans	-81.4	-10.9	131.1	34.1	-33.7	0	0	0	109.5	P132 S136	P132-P134 WeakPolarHBondContact O-CD 3.49Å; P132-P134 VanDerWaalsContact O-N 3.14Å; P134-S136 PolarHBondContact O-N 2.79Å
135	F	40.6	Very low	62	Low	143 Å²	143	82.7 Å²	82.7	63%	0.627	54%	0.537	S	S	*	.			trans	-78	53.8	173.7	-61.3	-78.9	0	0	0	111.9	F133 A137	F133-F135 HydrophobicContact CD1-CB 4.07Å; F133-F135 VanDerWaalsContact CD1-O 3.29Å; F133-F135 WeakPolarHBondContact CD1-O 3.36Å; F135-A137 VanDerWaalsContact CA-N 3.27Å; F135-A137 PolarHBondContact O-N 2.75Å
136	S	38	Very low	61.7	Low	102 Å²	102	86.9 Å²	86.9	71%	0.713	55%	0.545	S	S	*	.				-63.6	70.1	122	-93.8	0	0	0	0	106.9	P134 Q138	P134-S136 PolarHBondContact O-N 2.79Å; S136-Q138 PolarHBondContact O-N 3.5Å
137	A	40	Very low	61.2	Low	72 Å²	72	86.9 Å²	86.9	60%	0.595	55%	0.549	S	S	*	.			trans	-63.7	82.6	134	0	0	0	0	0	102.1	F135 S139	F135-A137 VanDerWaalsContact CA-N 3.27Å; F135-A137 PolarHBondContact O-N 2.75Å; A137-S139 PolarHBondContact O-N 2.98Å
138	Q	42.3	Very low	60.8	Low	132 Å²	132	89.2 Å²	89.2	62%	0.617	56%	0.555	S	S	*	*			trans	-34.8	108.5	171.4	-155.6	167.8	-10.7	0	0	103.9	S136 G140 A141	S136-Q138 PolarHBondContact O-N 3.5Å; Q138-G140 CarbonylContact O-C 3.46Å; Q138-G140 PolarHBondContact O-N 2.69Å; Q138-A141 HydrophobicContact CB-CB 4.05Å; Q138-A141 PolarHBondContact O-N 3.37Å
139	S	42.7	Very low	60.6	Low	141 Å²	141	91 Å²	91	99%	0.986	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	62.7	166.6	-87.1	0	0	0	0	106.9	A137	A137-S139 PolarHBondContact O-N 2.98Å
140	G	45.7	Very low	60.5	Low	52 Å²	52	93.7 Å²	93.7	54%	0.536	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	165.6	-8.8	-146.4	0	0	0	0	0	113.8	Q138	Q138-G140 CarbonylContact O-C 3.46Å; Q138-G140 PolarHBondContact O-N 2.69Å
141	A	48.3	Very low	60.7	Low	74 Å²	74	95.1 Å²	95.1	61%	0.612	59%	0.588	S	S	*	*			trans	-91.7	30.9	156.6	0	0	0	0	0	110.4	Q138 V143	Q138-A141 HydrophobicContact CB-CB 4.05Å; Q138-A141 PolarHBondContact O-N 3.37Å; A141-V143 PolarHBondContact O-N 2.66Å
142	G	58.5	Low	61.5	Low	54 Å²	54	96.9 Å²	96.9	56%	0.557	60%	0.599	S	S	*	*	S	Bend	trans	-54.3	133.3	144.9	0	0	0	0	0	106.4
143	V	57.9	Low	63.1	Low	92 Å²	92	96.5 Å²	96.5	56%	0.558	59%	0.59	S	S	*	*			trans	-31.6	117.6	177	-169.7	0	0	0	0	108.3	A141 G145	A141-V143 PolarHBondContact O-N 2.66Å; V143-G145 PolarHBondContact O-N 3.19Å
144	P	69.1	Low	65.3	Low	97 Å²	97	95.7 Å²	95.7	63%	0.63	59%	0.594	S	S	*	*			trans	-47	133.7	-177.3	16.1	-29.3	0	0	0	107.3	W146 G147	P144-W146 CarbonylContact O-C 3.47Å; P144-W146 WeakPolarHBondContact O-CA 3.45Å; P144-W146 PolarHBondContact O-N 3.38Å; P144-G147 PolarHBondContact O-N 3.06Å
145	G	67.8	Low	67.8	Low	63 Å²	63	94.5 Å²	94.5	65%	0.649	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.1	-16	-161.6	0	0	0	0	0	116.5	V143	V143-G145 PolarHBondContact O-N 3.19Å
146	W	77.7	Confident	70.4	Confident	206 Å²	206	91.2 Å²	91.2	78%	0.78	58%	0.578	S	S	*	*	H	α-helix	trans	-69.1	-30.9	167.2	-55.5	109.1	0	0	0	116.3	P144 I148 A149 L150	P144-W146 CarbonylContact O-C 3.47Å; P144-W146 WeakPolarHBondContact O-CA 3.45Å; P144-W146 PolarHBondContact O-N 3.38Å; W146-I148 VanDerWaalsContact C-N 3.27Å; W146-I148 PolarHBondContact O-N 3.36Å; W146-A149 CarbonylContact O-C 3.57Å; W146-A149 WeakPolarHBondContact O-CA 3.31Å; W146-A149 VanDerWaalsContact O-CB 3.31Å; W146-A149 WeakPolarHBondContact O-CB 3.36Å; W146-A149 PolarHBondContact O-N 2.76Å; W146-L150 WeakPolarHBondContact O-CG 3.47Å; W146-L150 PolarHBondContact O-N 2.94Å
147	G	78.8	Confident	73.1	Confident	20 Å²	20	91.4 Å²	91.4	21%	0.206	57%	0.571	C	S	.	*	H	α-helix	trans	-68.7	-28.2	-177	0	0	0	0	0	112.7	P144 L151	P144-G147 PolarHBondContact O-N 3.06Å; G147-L151 VanDerWaalsContact O-CB 3.31Å; G147-L151 WeakPolarHBondContact O-CB 3.32Å; G147-L151 PolarHBondContact O-N 2.64Å
148	I	80.6	Confident	75.8	Confident	109 Å²	109	91.7 Å²	91.7	56%	0.559	57%	0.565	S	S	*	*	H	α-helix	trans	-66.3	-43.2	167.2	-59.9	155.9	0	0	0	109.4	W146 L150 L151 V152	W146-I148 VanDerWaalsContact C-N 3.27Å; W146-I148 PolarHBondContact O-N 3.36Å; I148-L150 PolarHBondContact O-N 3.34Å; I148-L151 PolarHBondContact O-N 2.86Å; I148-V152 HydrophobicContact CG2-CG2 4.5Å; I148-V152 WeakPolarHBondContact O-CB 3.42Å; I148-V152 VanDerWaalsContact O-CG2 3.22Å; I148-V152 WeakPolarHBondContact O-CG2 3.49Å; I148-V152 PolarHBondContact O-N 2.92Å
149	A	86	Confident	78.3	Confident	51 Å²	51	87.7 Å²	87.7	42%	0.421	56%	0.555	S	S	.	*	H	α-helix	trans	-64.3	-39.2	175.9	0	0	0	0	0	112.9	W146 V152 L153	W146-A149 CarbonylContact O-C 3.57Å; W146-A149 WeakPolarHBondContact O-CA 3.31Å; W146-A149 VanDerWaalsContact O-CB 3.31Å; W146-A149 WeakPolarHBondContact O-CB 3.36Å; W146-A149 PolarHBondContact O-N 2.76Å; A149-V152 PolarHBondContact O-N 3.48Å; A149-L153 VanDerWaalsContact O-CB 3.28Å; A149-L153 WeakPolarHBondContact O-CB 3.3Å; A149-L153 PolarHBondContact O-N 3.32Å
150	L	87.7	Confident	80.9	Confident	110 Å²	110	86.2 Å²	86.2	58%	0.576	54%	0.535	S	S	*	.	H	α-helix	trans	-67	-41.6	175.6	-69.9	176.3	0	0	0	111.3	W146 I148 L153 V154	W146-L150 WeakPolarHBondContact O-CG 3.47Å; W146-L150 PolarHBondContact O-N 2.94Å; I148-L150 PolarHBondContact O-N 3.34Å; L150-L153 PolarHBondContact O-N 2.93Å; L150-V154 WeakPolarHBondContact O-CG2 3.24Å; L150-V154 PolarHBondContact O-N 3.36Å
151	L	88.9	Confident	83.2	Confident	123 Å²	123	86 Å²	86	64%	0.644	53%	0.529	S	S	*	.	H	α-helix	trans	-62.8	-43.5	174.9	-176.2	142.6	0	0	0	111.2	G147 I148 V154 C155	G147-L151 VanDerWaalsContact O-CB 3.31Å; G147-L151 WeakPolarHBondContact O-CB 3.32Å; G147-L151 PolarHBondContact O-N 2.64Å; I148-L151 PolarHBondContact O-N 2.86Å; L151-V154 PolarHBondContact O-N 2.9Å; L151-C155 VanDerWaalsContact O-CB 3.24Å; L151-C155 WeakPolarHBondContact O-CB 3.31Å; L151-C155 PolarHBondContact O-N 2.95Å
152	V	92.6	Very high	85.5	Confident	78 Å²	78	86.8 Å²	86.8	47%	0.473	52%	0.522	S	S	.	.	H	α-helix	trans	-64.8	-43.2	175.5	173.3	0	0	0	0	111	I148 A149 V154 C155 V156	I148-V152 HydrophobicContact CG2-CG2 4.5Å; I148-V152 WeakPolarHBondContact O-CB 3.42Å; I148-V152 VanDerWaalsContact O-CG2 3.22Å; I148-V152 WeakPolarHBondContact O-CG2 3.49Å; I148-V152 PolarHBondContact O-N 2.92Å; A149-V152 PolarHBondContact O-N 3.48Å; V152-V154 PolarHBondContact O-N 3.48Å; V152-C155 WeakPolarHBondContact O-CB 3.28Å; V152-C155 PolarHBondContact O-N 2.82Å; V152-V156 HydrophobicContact CG1-CG2 4.24Å; V152-V156 VanDerWaalsContact O-CG2 3.3Å; V152-V156 WeakPolarHBondContact O-CG2 3.27Å; V152-V156 PolarHBondContact O-N 3.38Å
153	L	92.1	Very high	87.3	Confident	97 Å²	97	88.7 Å²	88.7	51%	0.508	52%	0.522	S	S	.	.	H	α-helix	trans	-59.9	-47.1	177.6	-179.5	68.1	0	0	0	111.7	A149 L150 C155 V156 L157	A149-L153 VanDerWaalsContact O-CB 3.28Å; A149-L153 WeakPolarHBondContact O-CB 3.3Å; A149-L153 PolarHBondContact O-N 3.32Å; L150-L153 PolarHBondContact O-N 2.93Å; L153-C155 VanDerWaalsContact C-N 3.32Å; L153-V156 PolarHBondContact O-N 3.48Å; L153-L157 HydrophobicContact CG-CD1 4.35Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 3.19Å
154	V	95.2	Very high	89	Confident	88 Å²	88	91.5 Å²	91.5	53%	0.533	52%	0.524	S	S	.	.	H	α-helix	trans	-62.4	-42.6	175.3	172.6	0	0	0	0	110.4	L150 L151 V152 V156 L157 V158	L150-V154 WeakPolarHBondContact O-CG2 3.24Å; L150-V154 PolarHBondContact O-N 3.36Å; L151-V154 PolarHBondContact O-N 2.9Å; V152-V154 PolarHBondContact O-N 3.48Å; V154-V156 PolarHBondContact O-N 3.5Å; V154-L157 PolarHBondContact O-N 3.36Å; V154-V158 HydrophobicContact CG1-CG2 4.36Å; V154-V158 WeakPolarHBondContact O-CB 3.41Å; V154-V158 VanDerWaalsContact O-CG2 3.27Å; V154-V158 WeakPolarHBondContact O-CG2 3.27Å; V154-V158 PolarHBondContact O-N 3.43Å
155	C	93.7	Very high	90.1	Very high	80 Å²	80	92.2 Å²	92.2	54%	0.541	52%	0.522	S	S	.	.	H	α-helix	trans	-60.5	-44.5	176.7	-171.5	0	0	0	0	112.1	L151 V152 L153 V158 A159	L151-C155 VanDerWaalsContact O-CB 3.24Å; L151-C155 WeakPolarHBondContact O-CB 3.31Å; L151-C155 PolarHBondContact O-N 2.95Å; V152-C155 WeakPolarHBondContact O-CB 3.28Å; V152-C155 PolarHBondContact O-N 2.82Å; L153-C155 VanDerWaalsContact C-N 3.32Å; C155-V158 PolarHBondContact O-N 2.91Å; C155-A159 WeakPolarHBondContact O-CB 3.47Å; C155-A159 PolarHBondContact O-N 2.86Å
156	V	95.6	Very high	91.4	Very high	75 Å²	75	93.9 Å²	93.9	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-64.1	-44	176.6	171.6	0	0	0	0	111.1	V152 L153 V154 V158 A159 L160	V152-V156 HydrophobicContact CG1-CG2 4.24Å; V152-V156 VanDerWaalsContact O-CG2 3.3Å; V152-V156 WeakPolarHBondContact O-CG2 3.27Å; V152-V156 PolarHBondContact O-N 3.38Å; L153-V156 PolarHBondContact O-N 3.48Å; V154-V156 PolarHBondContact O-N 3.5Å; V156-V158 PolarHBondContact O-N 3.33Å; V156-A159 PolarHBondContact O-N 2.81Å; V156-L160 HydrophobicContact CG1-CD1 4.06Å; V156-L160 HydrophobicContact CG1-CG 4.4Å; V156-L160 WeakPolarHBondContact O-CB 3.46Å; V156-L160 WeakPolarHBondContact O-CG 3.22Å; V156-L160 PolarHBondContact O-N 3.48Å
157	L	94.6	Very high	92.1	Very high	105 Å²	105	86.3 Å²	86.3	55%	0.55	50%	0.496	S	S	.	.	H	α-helix	trans	-61.2	-43.3	176.4	-77.3	169	0	0	0	111.9	L153 V154 L160 A161	L153-L157 HydrophobicContact CG-CD1 4.35Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 3.19Å; V154-L157 PolarHBondContact O-N 3.36Å; L157-L160 PolarHBondContact O-N 2.92Å; L157-A161 WeakPolarHBondContact O-CB 3.33Å; L157-A161 PolarHBondContact O-N 3.49Å
158	V	96.2	Very high	92.7	Very high	78 Å²	78	88.6 Å²	88.6	47%	0.473	50%	0.503	S	S	.	.	H	α-helix	trans	-64.9	-43.9	176.5	171.6	0	0	0	0	110.9	V154 C155 V156 L160 A161 I162	V154-V158 HydrophobicContact CG1-CG2 4.36Å; V154-V158 WeakPolarHBondContact O-CB 3.41Å; V154-V158 VanDerWaalsContact O-CG2 3.27Å; V154-V158 WeakPolarHBondContact O-CG2 3.27Å; V154-V158 PolarHBondContact O-N 3.43Å; C155-V158 PolarHBondContact O-N 2.91Å; V156-V158 PolarHBondContact O-N 3.33Å; V158-L160 PolarHBondContact O-N 3.45Å; V158-A161 PolarHBondContact O-N 3.32Å; V158-I162 HydrophobicContact CG1-CD1 3.82Å; V158-I162 HydrophobicContact CG1-CG1 4.45Å; V158-I162 VanDerWaalsContact O-CG1 3.29Å; V158-I162 WeakPolarHBondContact O-CG1 3.41Å; V158-I162 PolarHBondContact O-N 2.88Å
159	A	95.6	Very high	93.1	Very high	49 Å²	49	85.9 Å²	85.9	41%	0.405	50%	0.497	S	S	.	.	H	α-helix	trans	-61	-45.2	176.7	0	0	0	0	0	111.8	C155 V156 A161 I162 V163	C155-A159 WeakPolarHBondContact O-CB 3.47Å; C155-A159 PolarHBondContact O-N 2.86Å; V156-A159 PolarHBondContact O-N 2.81Å; A159-A161 PolarHBondContact O-N 2.92Å; A159-I162 PolarHBondContact O-N 2.8Å; A159-V163 VanDerWaalsContact O-CG2 3.31Å; A159-V163 WeakPolarHBondContact O-CG2 3.39Å; A159-V163 PolarHBondContact O-N 3.26Å
160	L	95.6	Very high	93.2	Very high	109 Å²	109	87.1 Å²	87.1	57%	0.571	50%	0.499	S	S	*	.	H	α-helix	trans	-62.5	-40.8	175.4	-72.4	175.4	0	0	0	112	V156 L157 V158 V163 Y164	V156-L160 HydrophobicContact CG1-CD1 4.06Å; V156-L160 HydrophobicContact CG1-CG 4.4Å; V156-L160 WeakPolarHBondContact O-CB 3.46Å; V156-L160 WeakPolarHBondContact O-CG 3.22Å; V156-L160 PolarHBondContact O-N 3.48Å; L157-L160 PolarHBondContact O-N 2.92Å; V158-L160 PolarHBondContact O-N 3.45Å; L160-V163 PolarHBondContact O-N 2.89Å; L160-Y164 VanDerWaalsContact O-CB 3.29Å; L160-Y164 WeakPolarHBondContact O-CB 3.29Å; L160-Y164 PolarHBondContact O-N 3.3Å
161	A	95.4	Very high	93	Very high	49 Å²	49	85.3 Å²	85.3	41%	0.405	50%	0.495	S	S	.	.	H	α-helix	trans	-62.4	-43.9	175.7	0	0	0	0	0	111.7	L157 V158 A159 Y164 L165	L157-A161 WeakPolarHBondContact O-CB 3.33Å; L157-A161 PolarHBondContact O-N 3.49Å; V158-A161 PolarHBondContact O-N 3.32Å; A159-A161 PolarHBondContact O-N 2.92Å; A161-Y164 PolarHBondContact O-N 3.31Å; A161-L165 WeakPolarHBondContact O-CB 3.29Å; A161-L165 VanDerWaalsContact O-CG 3.27Å; A161-L165 WeakPolarHBondContact O-CG 3.31Å; A161-L165 PolarHBondContact O-N 2.93Å
162	I	95.8	Very high	92.6	Very high	90 Å²	90	84.8 Å²	84.8	46%	0.462	49%	0.489	S	S	.	.	H	α-helix	trans	-62.8	-46.9	176.5	-67	165.2	0	0	0	110.6	V158 A159 Y164 L165 I166	V158-I162 HydrophobicContact CG1-CD1 3.82Å; V158-I162 HydrophobicContact CG1-CG1 4.45Å; V158-I162 VanDerWaalsContact O-CG1 3.29Å; V158-I162 WeakPolarHBondContact O-CG1 3.41Å; V158-I162 PolarHBondContact O-N 2.88Å; A159-I162 PolarHBondContact O-N 2.8Å; I162-Y164 VanDerWaalsContact C-N 3.3Å; I162-Y164 PolarHBondContact O-N 2.86Å; I162-L165 PolarHBondContact O-N 3.21Å; I162-I166 HydrophobicContact CG2-CD1 3.82Å; I162-I166 HydrophobicContact CG2-CG1 4.43Å; I162-I166 VanDerWaalsContact O-CG1 3.29Å; I162-I166 WeakPolarHBondContact O-CG1 3.37Å; I162-I166 PolarHBondContact O-N 2.81Å
163	V	95.7	Very high	91.7	Very high	94 Å²	94	84.6 Å²	84.6	57%	0.57	49%	0.49	S	S	*	.	H	α-helix	trans	-60.2	-42.2	176.9	171.5	0	0	0	0	111	A159 L160 I166 A167	A159-V163 VanDerWaalsContact O-CG2 3.31Å; A159-V163 WeakPolarHBondContact O-CG2 3.39Å; A159-V163 PolarHBondContact O-N 3.26Å; L160-V163 PolarHBondContact O-N 2.89Å; V163-I166 PolarHBondContact O-N 2.73Å; V163-A167 WeakPolarHBondContact O-CB 3.43Å; V163-A167 PolarHBondContact O-N 3.47Å
164	Y	94.7	Very high	90.8	Very high	151 Å²	151	86.3 Å²	86.3	59%	0.592	49%	0.49	S	S	*	.	H	α-helix	trans	-64.5	-42.1	176.3	-178	-103.4	0	0	0	112.2	L160 A161 I162 A167 L168	L160-Y164 VanDerWaalsContact O-CB 3.29Å; L160-Y164 WeakPolarHBondContact O-CB 3.29Å; L160-Y164 PolarHBondContact O-N 3.3Å; A161-Y164 PolarHBondContact O-N 3.31Å; I162-Y164 VanDerWaalsContact C-N 3.3Å; I162-Y164 PolarHBondContact O-N 2.86Å; Y164-A167 PolarHBondContact O-N 3.41Å; Y164-L168 HydrophobicContact CD1-CD1 3.82Å; Y164-L168 HydrophobicContact CD1-CG 4.22Å; Y164-L168 HydrophobicContact CE1-CD1 3.23Å; Y164-L168 HydrophobicContact CE1-CD2 4.5Å; Y164-L168 HydrophobicContact CE1-CG 3.82Å; Y164-L168 HydrophobicContact CE2-CG 4.34Å; Y164-L168 WeakPolarHBondContact O-CB 3.22Å; Y164-L168 WeakPolarHBondContact O-CG 3.3Å; Y164-L168 PolarHBondContact O-N 3.41Å
165	L	92.9	Very high	89.5	Confident	111 Å²	111	90.8 Å²	90.8	58%	0.581	50%	0.497	S	S	*	.	H	α-helix	trans	-64.3	-40.1	175.2	-72	175.3	0	0	0	112	A161 I162 L168 A169	A161-L165 WeakPolarHBondContact O-CB 3.29Å; A161-L165 VanDerWaalsContact O-CG 3.27Å; A161-L165 WeakPolarHBondContact O-CG 3.31Å; A161-L165 PolarHBondContact O-N 2.93Å; I162-L165 PolarHBondContact O-N 3.21Å; L165-L168 PolarHBondContact O-N 3.45Å; L165-A169 VanDerWaalsContact O-CB 3.31Å; L165-A169 WeakPolarHBondContact O-CB 3.35Å; L165-A169 PolarHBondContact O-N 2.88Å
166	I	94.1	Very high	88.1	Confident	99 Å²	99	94.9 Å²	94.9	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-64.2	-45.8	173.7	-67.1	167.1	0	0	0	110	I162 V163 L168 A169 V170	I162-I166 HydrophobicContact CG2-CD1 3.82Å; I162-I166 HydrophobicContact CG2-CG1 4.43Å; I162-I166 VanDerWaalsContact O-CG1 3.29Å; I162-I166 WeakPolarHBondContact O-CG1 3.37Å; I162-I166 PolarHBondContact O-N 2.81Å; V163-I166 PolarHBondContact O-N 2.73Å; I166-L168 VanDerWaalsContact C-N 3.34Å; I166-L168 PolarHBondContact O-N 3.43Å; I166-A169 PolarHBondContact O-N 3.23Å; I166-V170 HydrophobicContact CG2-CG2 4.33Å; I166-V170 WeakPolarHBondContact O-CB 3.06Å; I166-V170 VanDerWaalsContact O-CG2 3.3Å; I166-V170 WeakPolarHBondContact O-CG2 3.31Å; I166-V170 PolarHBondContact O-N 3.31Å
167	A	92.7	Very high	86.4	Confident	46 Å²	46	96 Å²	96	38%	0.38	51%	0.51	S	S	.	.	H	α-helix	trans	-61.3	-42.2	177.1	0	0	0	0	0	111.5	V163 Y164 V170 C171	V163-A167 WeakPolarHBondContact O-CB 3.43Å; V163-A167 PolarHBondContact O-N 3.47Å; Y164-A167 PolarHBondContact O-N 3.41Å; A167-V170 PolarHBondContact O-N 2.76Å; A167-C171 WeakPolarHBondContact O-CB 3.14Å; A167-C171 PolarHBondContact O-N 3.4Å; A167-C171 PolarHBondContact O-SG 3.44Å
168	L	90.3	Very high	84.5	Confident	68 Å²	68	97.2 Å²	97.2	36%	0.356	51%	0.508	S	S	.	.	H	α-helix	trans	-64.2	-44.1	173.1	-76.7	-176.2	0	0	0	111.7	Y164 L165 I166 V170 C171 Q172	Y164-L168 HydrophobicContact CD1-CD1 3.82Å; Y164-L168 HydrophobicContact CD1-CG 4.22Å; Y164-L168 HydrophobicContact CE1-CD1 3.23Å; Y164-L168 HydrophobicContact CE1-CD2 4.5Å; Y164-L168 HydrophobicContact CE1-CG 3.82Å; Y164-L168 HydrophobicContact CE2-CG 4.34Å; Y164-L168 WeakPolarHBondContact O-CB 3.22Å; Y164-L168 WeakPolarHBondContact O-CG 3.3Å; Y164-L168 PolarHBondContact O-N 3.41Å; L165-L168 PolarHBondContact O-N 3.45Å; I166-L168 VanDerWaalsContact C-N 3.34Å; I166-L168 PolarHBondContact O-N 3.43Å; L168-V170 VanDerWaalsContact C-N 3.34Å; L168-V170 PolarHBondContact O-N 2.84Å; L168-C171 PolarHBondContact O-N 2.81Å; L168-Q172 VanDerWaalsContact O-CB 3.22Å; L168-Q172 WeakPolarHBondContact O-CB 3.47Å; L168-Q172 WeakPolarHBondContact O-CG 3.2Å; L168-Q172 PolarHBondContact O-N 3.37Å
169	A	89.6	Confident	82.4	Confident	53 Å²	53	96.1 Å²	96.1	44%	0.438	51%	0.512	S	S	.	.	H	α-helix	trans	-61	-44.1	176.5	0	0	0	0	0	111.2	L165 I166 Q172 C173	L165-A169 VanDerWaalsContact O-CB 3.31Å; L165-A169 WeakPolarHBondContact O-CB 3.35Å; L165-A169 PolarHBondContact O-N 2.88Å; I166-A169 PolarHBondContact O-N 3.23Å; A169-Q172 PolarHBondContact O-N 2.78Å; A169-C173 WeakPolarHBondContact O-CB 3.29Å; A169-C173 PolarHBondContact O-N 2.75Å; A169-C173 PolarHBondContact O-SG 3.27Å
170	V	88.8	Confident	80.2	Confident	77 Å²	77	100.3 Å²	100.3	47%	0.467	52%	0.523	S	S	.	.	H	α-helix	trans	-66	-43.8	175.4	173.6	0	0	0	0	111	I166 A167 L168 C173 R174	I166-V170 HydrophobicContact CG2-CG2 4.33Å; I166-V170 WeakPolarHBondContact O-CB 3.06Å; I166-V170 VanDerWaalsContact O-CG2 3.3Å; I166-V170 WeakPolarHBondContact O-CG2 3.31Å; I166-V170 PolarHBondContact O-N 3.31Å; A167-V170 PolarHBondContact O-N 2.76Å; L168-V170 VanDerWaalsContact C-N 3.34Å; L168-V170 PolarHBondContact O-N 2.84Å; V170-C173 PolarHBondContact O-N 3.42Å; V170-R174 HydrophobicContact CG1-CG 4.29Å; V170-R174 WeakPolarHBondContact O-CB 3.13Å; V170-R174 WeakPolarHBondContact O-CG 3.2Å; V170-R174 PolarHBondContact O-N 2.77Å
171	C	83.8	Confident	78	Confident	72 Å²	72	101.3 Å²	101.3	49%	0.486	53%	0.528	S	S	.	.	H	α-helix	trans	-64.1	-38.6	176.1	-78.8	0	0	0	0	112.1	A167 L168 R175	A167-C171 WeakPolarHBondContact O-CB 3.14Å; A167-C171 PolarHBondContact O-N 3.4Å; A167-C171 PolarHBondContact O-SG 3.44Å; L168-C171 PolarHBondContact O-N 2.81Å; C171-R175 WeakPolarHBondContact O-CB 3.34Å; C171-R175 PolarHBondContact O-N 3.4Å
172	Q	79.9	Confident	76	Confident	112 Å²	112	105.3 Å²	105.3	52%	0.523	54%	0.543	S	S	.	.	H	α-helix	trans	-73.5	-40.4	176.9	-66.9	-75.3	41.5	0	0	111.1	L168 A169 R175 K176	L168-Q172 VanDerWaalsContact O-CB 3.22Å; L168-Q172 WeakPolarHBondContact O-CB 3.47Å; L168-Q172 WeakPolarHBondContact O-CG 3.2Å; L168-Q172 PolarHBondContact O-N 3.37Å; A169-Q172 PolarHBondContact O-N 2.78Å; Q172-R175 PolarHBondContact O-N 3.37Å; Q172-K176 WeakPolarHBondContact O-CB 2.94Å; Q172-K176 PolarHBondContact O-N 3.44Å
173	C	74.6	Confident	74	Confident	73 Å²	73	107.3 Å²	107.3	49%	0.493	55%	0.553	S	S	.	*	H	α-helix	trans	-62	-45.3	171.3	-74.4	0	0	0	0	110.7	A169 V170 K176 N177	A169-C173 WeakPolarHBondContact O-CB 3.29Å; A169-C173 PolarHBondContact O-N 2.75Å; A169-C173 PolarHBondContact O-SG 3.27Å; V170-C173 PolarHBondContact O-N 3.42Å; C173-K176 PolarHBondContact O-N 3.17Å; C173-N177 WeakPolarHBondContact O-CB 3.18Å; C173-N177 PolarHBondContact O-N 3.46Å; C173-N177 PolarHBondContact O-ND2 2.74Å
174	R	72.3	Confident	71.9	Confident	134 Å²	134	111.5 Å²	111.5	51%	0.506	56%	0.564	S	S	.	*	H	α-helix	trans	-60.8	-49.6	173.1	-77.7	-177.6	72.3	-162.4	-0.6	110.9	V170 K176 N177 Y178	V170-R174 HydrophobicContact CG1-CG 4.29Å; V170-R174 WeakPolarHBondContact O-CB 3.13Å; V170-R174 WeakPolarHBondContact O-CG 3.2Å; V170-R174 PolarHBondContact O-N 2.77Å; R174-K176 VanDerWaalsContact C-N 3.32Å; R174-K176 PolarHBondContact O-N 2.96Å; R174-N177 CarbonylContact O-C 3.45Å; R174-N177 WeakPolarHBondContact O-CA 3.21Å; R174-N177 PolarHBondContact O-N 3.34Å; R174-N177 VanDerWaalsContact O-N 3.08Å; R174-Y178 VanDerWaalsContact C-CD2 3.45Å; R174-Y178 HydrophobicContact CB-CD2 4.06Å; R174-Y178 HydrophobicContact CB-CE2 3.85Å; R174-Y178 HydrophobicContact CG-CE2 4.46Å; R174-Y178 PolarHBondContact NH2-OH 2.71Å; R174-Y178 WeakPolarHBondContact O-CB 3.47Å; R174-Y178 WeakPolarHBondContact O-CD2 3.47Å; R174-Y178 PolarHBondContact O-N 2.86Å
175	R	66.9	Low	69.6	Low	181 Å²	181	108.6 Å²	108.6	68%	0.683	56%	0.564	S	S	*	*	H	α-helix	trans	-62.2	-37.2	178.6	-170.4	178.3	-177.3	-176.3	1.4	112.1	C171 Q172 Y178 G179	C171-R175 WeakPolarHBondContact O-CB 3.34Å; C171-R175 PolarHBondContact O-N 3.4Å; Q172-R175 PolarHBondContact O-N 3.37Å; R175-Y178 PolarHBondContact O-N 3.39Å; R175-G179 PolarHBondContact O-N 3.08Å
176	K	64.4	Low	67.5	Low	167 Å²	167	107.9 Å²	107.9	73%	0.726	57%	0.574	S	S	*	*	H	α-helix	trans	-66.6	-36.7	173	-170.8	175.1	179.1	-179.8	0	111.6	Q172 C173 R174 Q180	Q172-K176 WeakPolarHBondContact O-CB 2.94Å; Q172-K176 PolarHBondContact O-N 3.44Å; C173-K176 PolarHBondContact O-N 3.17Å; R174-K176 VanDerWaalsContact C-N 3.32Å; R174-K176 PolarHBondContact O-N 2.96Å; K176-Q180 PolarHBondContact O-N 2.88Å
177	N	60.2	Low	65.7	Low	99 Å²	99	113.2 Å²	113.2	53%	0.529	59%	0.588	S	S	.	*	H	α-helix	trans	-77.2	-28.7	173.9	-67.4	-34.9	0	0	0	113.2	C173 R174	C173-N177 WeakPolarHBondContact O-CB 3.18Å; C173-N177 PolarHBondContact O-N 3.46Å; C173-N177 PolarHBondContact O-ND2 2.74Å; R174-N177 CarbonylContact O-C 3.45Å; R174-N177 WeakPolarHBondContact O-CA 3.21Å; R174-N177 PolarHBondContact O-N 3.34Å; R174-N177 VanDerWaalsContact O-N 3.08Å
178	Y	54.3	Low	63.6	Low	130 Å²	130	117 Å²	117	51%	0.51	60%	0.602	S	S	.	*	H	α-helix	trans	-75.4	-33.9	172.7	-75	-65.3	0	0	0	111.4	R174 R175 Q180 L181	R174-Y178 VanDerWaalsContact C-CD2 3.45Å; R174-Y178 HydrophobicContact CB-CD2 4.06Å; R174-Y178 HydrophobicContact CB-CE2 3.85Å; R174-Y178 HydrophobicContact CG-CE2 4.46Å; R174-Y178 PolarHBondContact NH2-OH 2.71Å; R174-Y178 WeakPolarHBondContact O-CB 3.47Å; R174-Y178 WeakPolarHBondContact O-CD2 3.47Å; R174-Y178 PolarHBondContact O-N 2.86Å; R175-Y178 PolarHBondContact O-N 3.39Å; Y178-Q180 PolarHBondContact O-N 3.02Å; Y178-L181 PolarHBondContact O-N 3.17Å
179	G	53.5	Low	61.5	Low	55 Å²	55	119.6 Å²	119.6	57%	0.567	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-12.8	172.7	0	0	0	0	0	114.6	R175	R175-G179 PolarHBondContact O-N 3.08Å
180	Q	48.1	Very low	59.7	Low	137 Å²	137	126.4 Å²	126.4	64%	0.64	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-10.4	171.6	-169.5	172.3	-23.7	0	0	112.6	K176 Y178	K176-Q180 PolarHBondContact O-N 2.88Å; Y178-Q180 PolarHBondContact O-N 3.02Å
181	L	51.2	Low	57.9	Low	129 Å²	129	130.4 Å²	130.4	68%	0.675	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-9.9	172.9	-73.4	167.1	0	0	0	113.2	Y178 I183	Y178-L181 PolarHBondContact O-N 3.17Å; L181-I183 PolarHBondContact O-N 2.94Å
182	D	51.8	Low	56.6	Low	134 Å²	134	132.3 Å²	132.3	72%	0.717	66%	0.661	S	S	*	*			trans	-82.5	50.8	166.7	-75.8	-24.7	0	0	0	111.4	F184	D182-F184 VanDerWaalsContact C-N 3.26Å
183	I	54.3	Low	55.5	Low	131 Å²	131	133.8 Å²	133.8	67%	0.672	67%	0.669	S	S	*	*			trans	-94.6	18	164.3	-96	148.4	0	0	0	111.2	L181 P185	L181-I183 PolarHBondContact O-N 2.94Å; I183-P185 WeakPolarHBondContact O-CD 3.49Å
184	F	51	Low	54.6	Low	182 Å²	182	135.1 Å²	135.1	80%	0.798	68%	0.68	S	S	*	*	S	Bend	trans	-103.6	101.1	151.3	-67.6	-73.9	0	0	0	107.4	D182 A186	D182-F184 VanDerWaalsContact C-N 3.26Å; F184-A186 PolarHBondContact O-N 2.73Å
185	P	47.5	Very low	53.8	Low	90 Å²	90	137.6 Å²	137.6	58%	0.584	70%	0.697	S	S	*	*			trans	-57.8	130.9	167.1	26.2	-29.7	0	0	0	105.9	I183 R187	I183-P185 WeakPolarHBondContact O-CD 3.49Å; P185-R187 PolarHBondContact O-N 3.23Å
186	A	48	Very low	53.1	Low	96 Å²	96	135.8 Å²	135.8	79%	0.793	69%	0.691	S	S	*	*			trans	-68.4	59.1	163.4	0	0	0	0	0	110	F184	F184-A186 PolarHBondContact O-N 2.73Å
187	R	56.3	Low	52.7	Low	211 Å²	211	133.2 Å²	133.2	80%	0.796	69%	0.692	S	S	*	*			trans	-78	96.4	137.4	-67.8	-177.7	170.7	164.4	-2.6	102.2	P185	P185-R187 PolarHBondContact O-N 3.23Å
188	D	48.8	Very low	52.6	Low	127 Å²	127	134.5 Å²	134.5	68%	0.679	70%	0.703	S	S	*	*				-153.3	106.3	61	-63.3	-50.5	0	0	0	108.8	Y190	D188-Y190 HydrophobicContact CB-CD2 4.31Å; D188-Y190 PolarHBondContact O-N 3.16Å
189	T	47.2	Very low	52.3	Low	121 Å²	121	136.7 Å²	136.7	74%	0.742	71%	0.712	S	S	*	*			trans	-64.1	89.8	142.7	-62	0	0	0	0	105.3	H191	T189-H191 PolarHBondContact O-N 2.99Å
190	Y	51	Low	52.1	Low	196 Å²	196	143.3 Å²	143.3	77%	0.769	73%	0.727	S	S	*	*			trans	-35.3	110.6	157.4	-103.2	-103.1	0	0	0	107.7	D188 P192	D188-Y190 HydrophobicContact CB-CD2 4.31Å; D188-Y190 PolarHBondContact O-N 3.16Å; Y190-P192 WeakPolarHBondContact O-CD 3.14Å
191	H	50.8	Low	52.7	Low	162 Å²	162	141.2 Å²	141.2	75%	0.75	72%	0.724	S	S	*	*			trans	-70.8	109.2	162.3	-98.3	-87.6	0	0	0	106.4	T189 M193	T189-H191 PolarHBondContact O-N 2.99Å; H191-M193 PolarHBondContact O-N 2.86Å; H191-M193 VanDerWaalsContact O-N 3.16Å
192	P	56.8	Low	52.8	Low	112 Å²	112	143 Å²	143	73%	0.727	73%	0.729	S	S	*	*			trans	-74.1	113.3	173.2	0.3	19.7	0	0	0	106.4	Y190	Y190-P192 WeakPolarHBondContact O-CD 3.14Å
193	M	56.9	Low	52.8	Low	142 Å²	142	140.6 Å²	140.6	70%	0.7	74%	0.735	S	S	*	*	S	Bend	trans	70.6	56.3	144.6	-148.2	114.9	172.5	0	0	117.4	H191 Y196	H191-M193 PolarHBondContact O-N 2.86Å; H191-M193 VanDerWaalsContact O-N 3.16Å; M193-Y196 HydrophobicContact CE-CD2 4.32Å; M193-Y196 HydrophobicContact CE-CE2 3.43Å; M193-Y196 VanDerWaalsContact CE-CE2 3.43Å; M193-Y196 HydrophobicContact CG-CD2 4.2Å; M193-Y196 HydrophobicContact CG-CE2 3.81Å; M193-Y196 HydrophobicContact SD-CE2 3.7Å
194	S	54.6	Low	52.7	Low	101 Å²	101	145.1 Å²	145.1	71%	0.706	74%	0.744	S	S	*	*			trans	-130.3	1	165.3	66.6	0	0	0	0	116.8
195	E	56.8	Low	52.9	Low	186 Å²	186	145.7 Å²	145.7	87%	0.869	74%	0.742	S	S	*	*			trans	-123.6	63.8	171.4	-100.7	171.4	178	0	0	110.3	P197	E195-P197 WeakPolarHBondContact O-CD 3.4Å
196	Y	51.3	Low	53.5	Low	143 Å²	143	147.2 Å²	147.2	56%	0.561	75%	0.749	S	S	*	*			trans	-80.2	115.9	149.8	-84	-93.5	0	0	0	106.6	M193 T198	M193-Y196 HydrophobicContact CE-CD2 4.32Å; M193-Y196 HydrophobicContact CE-CE2 3.43Å; M193-Y196 VanDerWaalsContact CE-CE2 3.43Å; M193-Y196 HydrophobicContact CG-CD2 4.2Å; M193-Y196 HydrophobicContact CG-CE2 3.81Å; M193-Y196 HydrophobicContact SD-CE2 3.7Å; Y196-T198 PolarHBondContact O-N 3.15Å; Y196-T198 VanDerWaalsContact O-N 3.15Å
197	P	56.4	Low	54	Low	114 Å²	114	146.4 Å²	146.4	74%	0.74	74%	0.736	S	S	*	*			trans	-54.9	125.2	158.2	-13.8	27.3	0	0	0	106.3	E195 Y199	E195-P197 WeakPolarHBondContact O-CD 3.4Å; P197-Y199 PolarHBondContact O-N 2.91Å; P197-Y199 VanDerWaalsContact O-N 3.08Å
198	T	57.1	Low	54	Low	125 Å²	125	141.9 Å²	141.9	77%	0.767	73%	0.734	S	S	*	*			trans	-42.8	121.9	172.3	-57	0	0	0	0	108.7	Y196 H200	Y196-T198 PolarHBondContact O-N 3.15Å; Y196-T198 VanDerWaalsContact O-N 3.15Å; T198-H200 PolarHBondContact O-N 3.08Å
199	Y	49.4	Very low	53.8	Low	177 Å²	177	140.7 Å²	140.7	69%	0.694	74%	0.736	S	S	*	*			trans	-42.1	109.8	172.1	-75.9	-97.9	0	0	0	109.4	P197 T201	P197-Y199 PolarHBondContact O-N 2.91Å; P197-Y199 VanDerWaalsContact O-N 3.08Å; Y199-T201 PolarHBondContact O-N 3.4Å
200	H	49.4	Very low	54.2	Low	193 Å²	193	140.7 Å²	140.7	89%	0.894	74%	0.74	S	S	*	*			trans	-72.9	83.7	154.8	-94.8	-80.1	0	0	0	106.5	T198 H202	T198-H200 PolarHBondContact O-N 3.08Å; H200-H202 PolarHBondContact O-N 2.91Å
201	T	61.2	Low	54.5	Low	94 Å²	94	137.2 Å²	137.2	58%	0.577	74%	0.74	S	S	*	*			trans	-59.7	126.2	168.1	55	0	0	0	0	108.5	Y199	Y199-T201 PolarHBondContact O-N 3.4Å
202	H	52	Low	54.5	Low	167 Å²	167	136.6 Å²	136.6	77%	0.773	74%	0.742	S	S	*	*			trans	78.6	75.3	164.9	-45.7	-68.2	0	0	0	117.4	H200 R204	H200-H202 PolarHBondContact O-N 2.91Å; H202-R204 VanDerWaalsContact C-N 3.27Å; H202-R204 PolarHBondContact O-N 3.07Å; H202-R204 VanDerWaalsContact O-N 3.07Å
203	G	52.3	Low	54.5	Low	82 Å²	82	138.5 Å²	138.5	85%	0.845	74%	0.735	S	S	*	*			trans	-65.8	95.5	137.7	0	0	0	0	0	108	Y205	G203-Y205 PolarHBondContact O-N 3.02Å; G203-Y205 VanDerWaalsContact O-N 3.16Å
204	R	52.5	Low	54.3	Low	226 Å²	226	135.6 Å²	135.6	85%	0.853	73%	0.728	S	S	*	*			trans	-52.1	122.7	169.1	-83.3	-173.2	176.4	-175.2	-0.2	107.9	H202 V206	H202-R204 VanDerWaalsContact C-N 3.27Å; H202-R204 PolarHBondContact O-N 3.07Å; H202-R204 VanDerWaalsContact O-N 3.07Å; R204-V206 PolarHBondContact O-N 3.16Å
205	Y	54.4	Low	54.3	Low	194 Å²	194	136.2 Å²	136.2	76%	0.761	73%	0.73	S	S	*	*			trans	-60.8	108.4	164.5	-175.1	-97.9	0	0	0	107.4	G203 P207	G203-Y205 PolarHBondContact O-N 3.02Å; G203-Y205 VanDerWaalsContact O-N 3.16Å; Y205-P207 HydrophobicContact CD1-CB 4.35Å; Y205-P207 HydrophobicContact CE1-CB 3.88Å; Y205-P207 VanDerWaalsContact O-CD 3.3Å; Y205-P207 WeakPolarHBondContact O-CD 3.3Å
206	V	60.4	Low	54.2	Low	122 Å²	122	137.1 Å²	137.1	74%	0.739	73%	0.727	S	S	*	*			trans	-92.1	105	168.4	-176.7	0	0	0	0	105.6	R204	R204-V206 PolarHBondContact O-N 3.16Å
207	P	58.8	Low	54.4	Low	79 Å²	79	135.3 Å²	135.3	51%	0.513	72%	0.724	S	S	.	*			trans	-62.5	137.9	173.4	24.3	-30.6	0	0	0	108.9	Y205 S209	Y205-P207 HydrophobicContact CD1-CB 4.35Å; Y205-P207 HydrophobicContact CE1-CB 3.88Å; Y205-P207 VanDerWaalsContact O-CD 3.3Å; Y205-P207 WeakPolarHBondContact O-CD 3.3Å; P207-S209 PolarHBondContact O-N 3.01Å
208	P	55	Low	54.2	Low	116 Å²	116	137.6 Å²	137.6	75%	0.753	72%	0.722	S	S	*	*			trans	-59.7	115.2	173.6	22.9	-30.1	0	0	0	108.4	S210	P208-S210 PolarHBondContact O-N 2.79Å
209	S	44.5	Very low	53.8	Low	103 Å²	103	139.2 Å²	139.2	72%	0.72	72%	0.721	S	S	*	*			trans	-53.6	122.1	170.6	52.9	0	0	0	0	108.4	P207 T211	P207-S209 PolarHBondContact O-N 3.01Å; S209-T211 VanDerWaalsContact C-N 3.3Å; S209-T211 PolarHBondContact O-N 3.18Å
210	S	56.2	Low	53.7	Low	120 Å²	120	141.5 Å²	141.5	84%	0.839	73%	0.728	S	S	*	*	S	Bend	trans	-56.9	80.6	-178.4	53.4	0	0	0	0	112.9	P208	P208-S210 PolarHBondContact O-N 2.79Å
211	T	57.8	Low	53.7	Low	123 Å²	123	141.4 Å²	141.4	76%	0.755	72%	0.72	S	S	*	*			trans	-156.7	76.3	162.9	-9.5	0	0	0	0	108.1	S209	S209-T211 VanDerWaalsContact C-N 3.3Å; S209-T211 PolarHBondContact O-N 3.18Å
212	D	51.6	Low	53.4	Low	149 Å²	149	142.5 Å²	142.5	80%	0.797	73%	0.727	S	S	*	*	S	Bend		176.2	117.5	112.9	-122.4	-36.3	0	0	0	111.2
213	R	56.2	Low	53.4	Low	152 Å²	152	142.1 Å²	142.1	57%	0.574	73%	0.73	S	S	*	*			trans	49.5	101.3	143.6	-152.9	161	-132.2	169.5	1.6	119.8	E217	R213-E217 IonicContact CZ-OE2 3.74Å; R213-E217 IonicContact NE-OE2 3.07Å; R213-E217 PolarHBondContact NE-OE2 2.89Å; R213-E217 IonicContact NH2-OE2 3.62Å; R213-E217 PolarHBondContact NH2-OE2 2.91Å
214	S	53.1	Low	53.4	Low	81 Å²	81	148.8 Å²	148.8	57%	0.566	73%	0.73	S	S	*	*			trans	-66	152.6	162.7	65.1	0	0	0	0	111.7	Y216	S214-Y216 PolarHBondContact O-N 3.1Å; S214-Y216 VanDerWaalsContact O-N 3.1Å
215	P	53.8	Low	53.5	Low	115 Å²	115	146.1 Å²	146.1	75%	0.747	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-3	-167.6	-3.7	17.8	0	0	0	115
216	Y	54.8	Low	53.6	Low	205 Å²	205	147.6 Å²	147.6	80%	0.804	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	6.8	-174.7	-65.4	-77.3	0	0	0	113.9	S214	S214-Y216 PolarHBondContact O-N 3.1Å; S214-Y216 VanDerWaalsContact O-N 3.1Å
217	E	55.4	Low	53.2	Low	105 Å²	105	150 Å²	150	49%	0.491	74%	0.739	S	S	.	*	S	Bend	trans	-94.3	-3.8	-175.6	-138	-159.7	-159.9	0	0	114.7	R213	R213-E217 IonicContact CZ-OE2 3.74Å; R213-E217 IonicContact NE-OE2 3.07Å; R213-E217 PolarHBondContact NE-OE2 2.89Å; R213-E217 IonicContact NH2-OE2 3.62Å; R213-E217 PolarHBondContact NH2-OE2 2.91Å
218	K	51.3	Low	52.6	Low	162 Å²	162	154.6 Å²	154.6	70%	0.704	78%	0.784	S	S	*	*	S	Bend	trans	-98.8	5.2	-172.5	-65.7	-170.4	-178	175.5	0	115.8
219	E	50.2	Low	52.5	Low	159 Å²	159	156.6 Å²	156.6	74%	0.743	79%	0.786	S	S	*	*	S	Bend	trans	-104.5	-6.6	-171.1	-165.6	145.4	-175	0	0	115.8
220	W	46.1	Very low	53	Low	224 Å²	224	159.4 Å²	159.4	85%	0.848	79%	0.789	S	S	*	*	S	Bend	trans	-119.6	8.2	-174.6	-62.3	113.1	0	0	0	116.6
221	R	50.1	Low	52.8	Low	191 Å²	191	161.6 Å²	161.6	72%	0.721	79%	0.786	S	S	*	*	S	Bend	trans	-135.8	14.8	-171.8	-137.7	-163.5	-62.7	-165.8	1.8	117.7
222	V	55.9	Low	52.5	Low	118 Å²	118	163.8 Å²	163.8	72%	0.715	79%	0.788	S	S	*	*	S	Bend	trans	-109.1	-25.2	173.9	-179.2	0	0	0	0	112.9
223	D	50.7	Low	52.5	Low	158 Å²	158	164.8 Å²	164.8	85%	0.845	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-4.5	-179.7	-71.5	-19.7	0	0	0	114.9
224	R	52.7	Low	52.3	Low	222 Å²	222	165.6 Å²	165.6	84%	0.838	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-11.2	180	-164.4	175.7	-71	-156.6	0.1	114.5
225	E	55.5	Low	52.2	Low	171 Å²	171	171.6 Å²	171.6	80%	0.799	82%	0.819	S	S	*	*	S	Bend	trans	-110.9	15.3	-175.3	-69.9	-171.7	173.1	0	0	114.4
226	R	56.2	Low	52.1	Low	224 Å²	224	176 Å²	176	85%	0.845	82%	0.824	S	S	*	*	S	Bend	trans	-138.2	20.2	179.1	-127.4	-169.7	-135.3	-142.2	6.2	118
227	L	51.2	Low	51.9	Low	173 Å²	173	173.6 Å²	173.6	91%	0.906	83%	0.826	S	S	*	*			trans	-147.5	71.5	160.5	-70.7	178.7	0	0	0	110.2
228	A	47.3	Very low	51.6	Low	176 Å²	176	179.8 Å²	179.8	100%	1.455	86%	0.856	S	S	*	*			trans	-102.9	0	139.8	0	0	0	0	0	106.8

Retrieved 228 of 228 residues in 235.5 ms (Link to these results)

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