A0A077ZH53_TRITR Loading...

NAD(+) kinase

AlphaFold DB , UniProt , Accession A0A077ZH53, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 199 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.6	Very low	48.3	Very low	242 Å²	242	159.1 Å²	159.1	100%	1.192	84%	0.837	S	S	*	*				0	99	0	-77.3	156.8	133.7	0	0	108.5
2	N	43.3	Very low	48.7	Very low	171 Å²	171	157.2 Å²	157.2	91%	0.914	83%	0.828	S	S	*	*			trans	-166.6	112.3	146.6	-106.8	-3.5	0	0	0	106.2
3	S	46.5	Very low	49	Very low	101 Å²	101	153.5 Å²	153.5	71%	0.706	82%	0.823	S	S	*	*			trans	-100.9	107.5	-169.7	177.3	0	0	0	0	108.3	R5	S3-R5 PolarHBondContact O-N 3.45Å
4	S	54.3	Low	49	Very low	119 Å²	119	152.4 Å²	152.4	83%	0.832	81%	0.807	S	S	*	*			trans	-84.6	90.2	167.4	-39.9	0	0	0	0	107.8	E6	S4-E6 PolarHBondContact O-N 3.35Å
5	R	49.9	Very low	49.2	Very low	229 Å²	229	148.1 Å²	148.1	86%	0.864	79%	0.791	S	S	*	*			trans	-83.6	104.8	165.7	-83.5	-178.5	174	150.3	-2.3	108.1	S3 H7	S3-R5 PolarHBondContact O-N 3.45Å; R5-H7 PolarHBondContact O-N 3.34Å
6	E	48.3	Very low	50	Low	181 Å²	181	146.9 Å²	146.9	85%	0.846	77%	0.773	S	S	*	*			trans	-64.4	128.9	166.9	-68.3	-170	153.1	0	0	109.9	S4 V8	S4-E6 PolarHBondContact O-N 3.35Å; E6-V8 PolarHBondContact O-N 3.49Å
7	H	48.4	Very low	51	Low	183 Å²	183	140.1 Å²	140.1	85%	0.847	74%	0.736	S	S	*	*			trans	-80	102.9	-178.3	-147.6	-75.3	0	0	0	108.3	R5 S9	R5-H7 PolarHBondContact O-N 3.34Å; H7-S9 PolarHBondContact O-N 3.17Å; H7-S9 VanDerWaalsContact O-N 3.17Å
8	V	50.8	Low	52.4	Low	140 Å²	140	138.7 Å²	138.7	85%	0.848	73%	0.729	S	S	*	*			trans	-72.1	107.4	172.2	-179.2	0	0	0	0	107.8	E6	E6-V8 PolarHBondContact O-N 3.49Å
9	S	45.7	Very low	54.2	Low	81 Å²	81	131.9 Å²	131.9	57%	0.566	69%	0.694	S	S	*	*			trans	-68.8	139.6	-177	51.2	0	0	0	0	113.4	H7 I11	H7-S9 PolarHBondContact O-N 3.17Å; H7-S9 VanDerWaalsContact O-N 3.17Å; S9-I11 PolarHBondContact O-N 3.21Å
10	D	49.1	Very low	56.1	Low	154 Å²	154	129.4 Å²	129.4	82%	0.824	69%	0.688	S	S	*	*			trans	-39.3	109.1	166.4	-97.5	-45.1	0	0	0	113.6
11	I	53.7	Low	58	Low	149 Å²	149	128.2 Å²	128.2	76%	0.764	67%	0.674	S	S	*	*			trans	-109.9	-3.5	174.2	-75.5	173.7	0	0	0	112.7	S9	S9-I11 PolarHBondContact O-N 3.21Å
12	D	52.2	Low	60.6	Low	136 Å²	136	116.9 Å²	116.9	73%	0.727	62%	0.618	S	S	*	*			trans	-121.8	16.6	-162.5	-127.5	-1.3	0	0	0	117.8	K14	D12-K14 VanDerWaalsContact C-N 3.27Å; D12-K14 PolarHBondContact O-N 3.1Å; D12-K14 VanDerWaalsContact O-N 3.1Å
13	S	52.6	Low	63.2	Low	109 Å²	109	108.7 Å²	108.7	76%	0.762	58%	0.575	S	S	*	*			trans	-82.8	28	-177.1	61.3	0	0	0	0	116
14	K	49.8	Very low	65.6	Low	139 Å²	139	103.9 Å²	103.9	60%	0.604	54%	0.541	S	S	*	.			trans	-83.4	130.8	176.5	-76.9	173.7	-174.7	159.6	0	110.6	D12 Y16	D12-K14 VanDerWaalsContact C-N 3.27Å; D12-K14 PolarHBondContact O-N 3.1Å; D12-K14 VanDerWaalsContact O-N 3.1Å; K14-Y16 PolarHBondContact O-N 3.14Å; K14-Y16 VanDerWaalsContact O-N 3.14Å
15	P	52.4	Low	67.6	Low	87 Å²	87	98.3 Å²	98.3	57%	0.565	50%	0.502	S	S	*	.			trans	-59.9	121.7	177.1	24.4	-32.6	0	0	0	109.7
16	Y	60.6	Low	69.9	Low	129 Å²	129	87.5 Å²	87.5	51%	0.506	46%	0.461	S	S	.	.			trans	-92.3	110.3	172.8	-172.5	-73	0	0	0	106.5	K14 N18 R148 V149 R150	K14-Y16 PolarHBondContact O-N 3.14Å; K14-Y16 VanDerWaalsContact O-N 3.14Å; Y16-N18 HydrophobicContact CD1-CB 3.8Å; Y16-N18 HydrophobicContact CE1-CB 3.95Å; Y16-N18 PolarHBondContact O-N 3.07Å; Y16-R148 CarbonylContact C-O 3.54Å; Y16-R148 WeakPolarHBondContact CA-O 3.46Å; Y16-V149 HydrophobicContact CD1-CG1 4.22Å; Y16-V149 HydrophobicContact CE1-CG1 3.65Å; Y16-R150 HydrophobicContact CD2-CB 3.78Å; Y16-R150 HydrophobicContact CE2-CB 3.15Å; Y16-R150 HydrophobicContact CE2-CG 4.18Å; Y16-R150 PolarHBondContact OH-O 3.48Å
17	F	67.1	Low	72.1	Confident	31 Å²	31	80.4 Å²	80.4	14%	0.136	43%	0.428	C	S	.	.			trans	-62.8	128.5	168.4	160	-137.9	0	0	0	105.4	P19 A102 P125 I127 M147 R148 V149	F17-P19 HydrophobicContact CD2-CB 4.44Å; F17-P19 HydrophobicContact CD2-CG 4.34Å; F17-P19 HydrophobicContact CE2-CB 3.59Å; F17-P19 VanDerWaalsContact CE2-CD 3.49Å; F17-P19 HydrophobicContact CE2-CG 3.59Å; F17-P19 HydrophobicContact CZ-CB 4.02Å; F17-P19 HydrophobicContact CZ-CG 3.64Å; F17-A102 HydrophobicContact CE1-CB 4.37Å; F17-A102 HydrophobicContact CE2-CB 3.61Å; F17-A102 HydrophobicContact CZ-CB 3.28Å; F17-P125 HydrophobicContact CD1-CB 4.43Å; F17-P125 HydrophobicContact CD1-CG 4.24Å; F17-P125 HydrophobicContact CD2-CG 4.2Å; F17-P125 HydrophobicContact CE1-CB 4.08Å; F17-P125 HydrophobicContact CE1-CG 4.2Å; F17-P125 HydrophobicContact CE2-CG 3.99Å; F17-P125 HydrophobicContact CG-CG 4.4Å; F17-P125 HydrophobicContact CZ-CB 4.18Å; F17-P125 HydrophobicContact CZ-CG 4.12Å; F17-I127 HydrophobicContact CE1-CD1 4.23Å; F17-M147 HydrophobicContact CB-CB 4.15Å; F17-R148 PolarHBondContact N-O 2.94Å; F17-V149 HydrophobicContact CB-CB 4.02Å; F17-V149 HydrophobicContact CB-CG2 3.55Å; F17-V149 HydrophobicContact CD1-CB 3.83Å; F17-V149 HydrophobicContact CD1-CG2 2.8Å; F17-V149 HydrophobicContact CD2-CG2 3.83Å; F17-V149 HydrophobicContact CE1-CB 4.37Å; F17-V149 HydrophobicContact CE1-CG2 3.09Å; F17-V149 HydrophobicContact CE2-CG2 4.14Å; F17-V149 HydrophobicContact CG-CB 4.07Å; F17-V149 HydrophobicContact CG-CG2 3.09Å; F17-V149 HydrophobicContact CZ-CG2 3.75Å; F17-V149 VanDerWaalsContact O-CA 3.26Å; F17-V149 WeakPolarHBondContact O-CA 3.36Å; F17-V149 WeakPolarHBondContact O-CB 3.37Å; F17-V149 WeakPolarHBondContact O-CG1 3.43Å; F17-V149 WeakPolarHBondContact O-CG2 3.43Å
18	N	76.9	Confident	74.3	Confident	115 Å²	115	73.5 Å²	73.5	62%	0.615	40%	0.396	S	S	*	.			trans	-142.8	73.7	-177	-170.7	35	0	0	0	106.7	Y16 S20	Y16-N18 HydrophobicContact CD1-CB 3.8Å; Y16-N18 HydrophobicContact CE1-CB 3.95Å; Y16-N18 PolarHBondContact O-N 3.07Å; N18-S20 PolarHBondContact O-N 2.83Å
19	P	87.2	Confident	76.2	Confident	10 Å²	10	67.1 Å²	67.1	7%	0.065	36%	0.358	C	S	.	.			trans	-63.2	131.2	-173.3	23.7	-29.5	0	0	0	109.8	F17 V22 I82 D101	F17-P19 HydrophobicContact CD2-CB 4.44Å; F17-P19 HydrophobicContact CD2-CG 4.34Å; F17-P19 HydrophobicContact CE2-CB 3.59Å; F17-P19 VanDerWaalsContact CE2-CD 3.49Å; F17-P19 HydrophobicContact CE2-CG 3.59Å; F17-P19 HydrophobicContact CZ-CB 4.02Å; F17-P19 HydrophobicContact CZ-CG 3.64Å; P19-V22 HydrophobicContact CB-CG2 3.76Å; P19-V22 HydrophobicContact CG-CG2 3.92Å; P19-I82 HydrophobicContact CG-CD1 4.25Å; P19-D101 HydrophobicContact CB-CB 4.01Å
20	S	91.8	Very high	78.2	Confident	81 Å²	81	69.3 Å²	69.3	57%	0.566	35%	0.354	S	S	*	.	S	Bend	trans	-82.6	-32.8	166.1	-60.4	0	0	0	0	110.4	N18 E83 D101	N18-S20 PolarHBondContact O-N 2.83Å; S20-E83 WeakPolarHBondContact O-CB 3.04Å; S20-E83 PolarHBondContact O-N 3.35Å; S20-D101 WeakPolarHBondContact CA-OD2 3.49Å; S20-D101 WeakPolarHBondContact CB-OD2 3.15Å; S20-D101 PolarHBondContact N-OD2 3.22Å
21	R	96.2	Very high	80.2	Confident	105 Å²	105	62.2 Å²	62.2	40%	0.396	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.9	-178.1	-71	172.9	-178.7	158.1	9.1	112.6	E83 W99 D101 A102	R21-E83 CarbonylContact C-O 3.59Å; R21-E83 VanDerWaalsContact CA-O 3.26Å; R21-E83 WeakPolarHBondContact CA-O 3.28Å; R21-E83 HydrophobicContact CG-CB 4.01Å; R21-E83 HydrophobicContact CG-CG 4.39Å; R21-E83 WeakPolarHBondContact CG-OE2 3.26Å; R21-E83 IonicContact CZ-OE2 2.66Å; R21-E83 IonicContact NE-OE2 3.3Å; R21-E83 PolarHBondContact NE-OE2 3.46Å; R21-E83 IonicContact NH2-OE2 2.79Å; R21-W99 HydrophobicContact CB-CH2 3.99Å; R21-W99 HydrophobicContact CB-CZ2 4.2Å; R21-W99 HydrophobicContact CB-CZ3 4.16Å; R21-W99 WeakPolarHBondContact CD-O 3.2Å; R21-W99 HydrophobicContact CG-CH2 4.11Å; R21-W99 HydrophobicContact CG-CZ2 3.86Å; R21-D101 PolarHBondContact N-OD2 3.28Å; R21-D101 PolarHBondContact O-N 3.5Å; R21-A102 PolarHBondContact O-N 3.44Å
22	V	94.8	Very high	81.9	Confident	4 Å²	4	56 Å²	56	2%	0.024	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.1	177.5	172.7	0	0	0	0	111.4	P19 V24 L77 I82 E83 Y84 K85 A102 I104	P19-V22 HydrophobicContact CB-CG2 3.76Å; P19-V22 HydrophobicContact CG-CG2 3.92Å; V22-V24 HydrophobicContact CG1-CG2 4.22Å; V22-L77 HydrophobicContact CB-CD1 4.28Å; V22-L77 HydrophobicContact CB-CD2 4.12Å; V22-L77 HydrophobicContact CG1-CD1 3.99Å; V22-L77 HydrophobicContact CG1-CD2 4.16Å; V22-L77 HydrophobicContact CG2-CD2 4.03Å; V22-I82 HydrophobicContact CB-CG2 4.06Å; V22-I82 HydrophobicContact CG2-CG2 3.57Å; V22-E83 PolarHBondContact N-O 3.45Å; V22-Y84 WeakPolarHBondContact O-CA 3.32Å; V22-Y84 WeakPolarHBondContact O-CB 3.39Å; V22-K85 PolarHBondContact O-N 2.89Å; V22-K85 VanDerWaalsContact O-N 3.12Å; V22-A102 WeakPolarHBondContact CA-O 3.49Å; V22-I104 HydrophobicContact CG1-CB 4.37Å; V22-I104 HydrophobicContact CG1-CD1 3.63Å; V22-I104 HydrophobicContact CG1-CG1 3.67Å
23	L	98	Very high	83.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.4	171.3	-173.8	70.4	0	0	0	110.2	K85 V87 Y92 A96 I97 C100 A102 V103 I104	L23-K85 HydrophobicContact CD1-CB 3.91Å; L23-V87 HydrophobicContact CD1-CB 4.36Å; L23-V87 HydrophobicContact CD1-CG1 3.76Å; L23-V87 HydrophobicContact CD1-CG2 3.67Å; L23-V87 HydrophobicContact CD2-CG2 4.16Å; L23-V87 HydrophobicContact CG-CG2 3.87Å; L23-Y92 HydrophobicContact CD2-CD2 3.82Å; L23-Y92 HydrophobicContact CD2-CE2 3.64Å; L23-A96 HydrophobicContact CD1-CB 4.13Å; L23-A96 HydrophobicContact CD2-CB 3.86Å; L23-I97 HydrophobicContact CD2-CG1 4.24Å; L23-C100 HydrophobicContact CB-CB 3.74Å; L23-C100 VanDerWaalsContact CB-SG 3.52Å; L23-A102 PolarHBondContact N-O 3.25Å; L23-V103 HydrophobicContact CB-CG2 4.45Å; L23-V103 CarbonylContact O-C 3.44Å; L23-V103 VanDerWaalsContact O-CA 3.3Å; L23-V103 WeakPolarHBondContact O-CA 3.4Å; L23-I104 PolarHBondContact O-N 3.47Å
24	V	97.2	Very high	85.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	108.4	176.9	-173.6	0	0	0	0	109.7	V22 S26 L70 I73 L77 K85 V86 V87 I104 A106	V22-V24 HydrophobicContact CG1-CG2 4.22Å; V24-S26 PolarHBondContact O-N 3.05Å; V24-L70 HydrophobicContact CG1-CD1 3.72Å; V24-I73 HydrophobicContact CG1-CG2 4.46Å; V24-I73 HydrophobicContact CG2-CG2 4.3Å; V24-L77 HydrophobicContact CG2-CD1 3.76Å; V24-K85 PolarHBondContact N-O 3.47Å; V24-V86 HydrophobicContact CB-CG2 4.25Å; V24-V86 WeakPolarHBondContact O-CA 2.68Å; V24-V87 PolarHBondContact O-N 2.72Å; V24-I104 CarbonylContact C-O 3.52Å; V24-I104 VanDerWaalsContact CA-O 3.26Å; V24-I104 WeakPolarHBondContact CA-O 3.41Å; V24-I104 HydrophobicContact CG1-CG2 4.49Å; V24-I104 HydrophobicContact CG2-CB 4.35Å; V24-A106 HydrophobicContact CG1-CB 4.05Å
25	L	97.4	Very high	86.9	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	103.7	171.5	177.2	58.7	0	0	0	110.3	V87 Y92 I104 S105 A106 T111 L114 A115	L25-V87 HydrophobicContact CD1-CG2 4.33Å; L25-Y92 HydrophobicContact CB-CD2 4.24Å; L25-Y92 HydrophobicContact CB-CE2 4.31Å; L25-Y92 HydrophobicContact CD1-CD1 4.41Å; L25-Y92 HydrophobicContact CD1-CD2 4Å; L25-Y92 HydrophobicContact CD1-CG 3.82Å; L25-Y92 HydrophobicContact CD2-CD1 3.92Å; L25-Y92 HydrophobicContact CD2-CD2 4.2Å; L25-Y92 HydrophobicContact CD2-CE1 3.99Å; L25-Y92 HydrophobicContact CD2-CE2 4.26Å; L25-Y92 HydrophobicContact CD2-CG 4.05Å; L25-Y92 HydrophobicContact CG-CD2 4.37Å; L25-Y92 HydrophobicContact CG-CG 4.42Å; L25-I104 PolarHBondContact N-O 3.27Å; L25-S105 CarbonylContact O-C 3.52Å; L25-A106 PolarHBondContact O-N 3.02Å; L25-T111 HydrophobicContact CD2-CG2 4.22Å; L25-T111 HydrophobicContact CG-CG2 3.98Å; L25-T111 WeakPolarHBondContact O-CG2 3.45Å; L25-L114 HydrophobicContact CD2-CB 4.42Å; L25-L114 HydrophobicContact CD2-CD2 3.99Å; L25-L114 HydrophobicContact CD2-CG 4.09Å; L25-A115 HydrophobicContact CD2-CB 3.75Å
26	S	97.5	Very high	88.4	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	140.1	177.5	-165.6	0	0	0	0	112.1	V24 H66 L70 V87	V24-S26 PolarHBondContact O-N 3.05Å; S26-H66 PolarHBondContact OG-CE1 2.93Å; S26-H66 VanDerWaalsContact OG-CE1 3.31Å; S26-H66 PolarHBondContact OG-NE2 3.2Å; S26-L70 WeakPolarHBondContact OG-CD2 3.48Å; S26-V87 PolarHBondContact N-O 3.47Å
27	K	94.8	Very high	89.2	Confident	32 Å²	32	46.1 Å²	46.1	14%	0.139	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-61.7	153.8	164.6	68.9	167.4	176.9	-178.2	0	110.4	H66 A106 T111 D132	K27-H66 WeakPolarHBondContact CE-ND1 3.22Å; K27-H66 WeakPolarHBondContact CG-CE1 3.42Å; K27-H66 WeakPolarHBondContact CG-ND1 3.32Å; K27-H66 PolarHBondContact O-NE2 3.18Å; K27-A106 PolarHBondContact N-O 3.06Å; K27-T111 WeakPolarHBondContact CB-OG1 3.38Å; K27-D132 IonicContact NZ-OD2 3.21Å
28	I	93.4	Very high	89.6	Confident	37 Å²	37	47 Å²	47	19%	0.19	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-91.7	121.4	163.2	-60.2	172.7	0	0	0	105.8	D32 F33 Q88 R89 W90	I28-D32 HydrophobicContact CG2-CB 3.66Å; I28-F33 HydrophobicContact CG2-CB 4.41Å; I28-Q88 HydrophobicContact CD1-CB 4.42Å; I28-Q88 HydrophobicContact CG1-CB 4.16Å; I28-Q88 HydrophobicContact CG1-CG 4.3Å; I28-R89 HydrophobicContact CD1-CB 4.42Å; I28-W90 HydrophobicContact CD1-CZ2 4.16Å
29	T	91.8	Very high	89.4	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.043	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-72.1	158.1	178.3	68.3	0	0	0	0	110	L31 D32 F33 H63 H66 Y67	T29-L31 PolarHBondContact O-N 2.75Å; T29-D32 WeakPolarHBondContact CB-OD2 3.21Å; T29-D32 WeakPolarHBondContact CG2-OD2 2.99Å; T29-D32 PolarHBondContact N-OD2 2.88Å; T29-D32 WeakPolarHBondContact O-CB 2.99Å; T29-D32 PolarHBondContact O-N 3.35Å; T29-D32 VanDerWaalsContact O-N 3.08Å; T29-D32 PolarHBondContact OG1-N 2.84Å; T29-D32 PolarHBondContact OG1-OD2 2.89Å; T29-F33 PolarHBondContact O-N 2.91Å; T29-H63 HydrophobicContact CG2-CB 4.43Å; T29-H63 PolarHBondContact OG1-ND1 3.33Å; T29-H66 HydrophobicContact CG2-CB 3.95Å; T29-H66 VanDerWaalsContact CG2-CD2 3.4Å; T29-H66 WeakPolarHBondContact CG2-CD2 3.41Å; T29-Y67 HydrophobicContact CG2-CD2 4.38Å; T29-Y67 HydrophobicContact CG2-CE2 3.89Å
30	R	88.5	Confident	88.5	Confident	127 Å²	127	55.1 Å²	55.1	48%	0.479	24%	0.244	S	C	.	.	H	α-helix	trans	-59	-35.2	174.4	179.9	60.2	171.3	171.4	4.8	111.4	F33 E34 L59	R30-F33 VanDerWaalsContact NH1-CD1 3.26Å; R30-F33 WeakPolarHBondContact O-CB 3.45Å; R30-F33 PolarHBondContact O-N 3.07Å; R30-E34 IonicContact CZ-OE1 2.86Å; R30-E34 IonicContact NE-OE1 3.85Å; R30-E34 PolarHBondContact NE-OE1 3.13Å; R30-E34 IonicContact NH1-OE1 3.59Å; R30-E34 PolarHBondContact NH1-OE1 3.2Å; R30-E34 IonicContact NH2-OE1 3.83Å; R30-E34 PolarHBondContact NH2-OE1 3.34Å; R30-E34 WeakPolarHBondContact O-CG 3.38Å; R30-E34 PolarHBondContact O-N 2.83Å; R30-L59 HydrophobicContact CB-CD2 3.66Å; R30-L59 HydrophobicContact CG-CD2 3.47Å; R30-L59 VanDerWaalsContact CG-CD2 3.47Å
31	L	89.5	Confident	87	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-41.3	173.9	-172.3	60.4	0	0	0	112.4	T29 F33 E34 R35 L59 W60 H63	T29-L31 PolarHBondContact O-N 2.75Å; L31-F33 VanDerWaalsContact C-N 3.31Å; L31-F33 PolarHBondContact O-N 3.32Å; L31-E34 PolarHBondContact O-N 2.64Å; L31-R35 WeakPolarHBondContact O-CG 3.46Å; L31-R35 PolarHBondContact O-N 2.72Å; L31-L59 HydrophobicContact CB-CB 4.46Å; L31-W60 HydrophobicContact CD2-CD2 3.65Å; L31-W60 HydrophobicContact CD2-CE3 3.89Å; L31-W60 HydrophobicContact CD2-CG 3.97Å; L31-W60 HydrophobicContact CD2-CZ3 4.48Å; L31-H63 HydrophobicContact CB-CB 3.98Å; L31-H63 HydrophobicContact CD2-CB 3.74Å; L31-H63 HydrophobicContact CG-CB 4.49Å
32	D	90.6	Very high	85.2	Confident	18 Å²	18	55.1 Å²	55.1	10%	0.096	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-41.8	174.3	-64.3	-43.3	0	0	0	111.6	I28 T29 R35 R36 H63 Y67	I28-D32 HydrophobicContact CG2-CB 3.66Å; T29-D32 WeakPolarHBondContact CB-OD2 3.21Å; T29-D32 WeakPolarHBondContact CG2-OD2 2.99Å; T29-D32 PolarHBondContact N-OD2 2.88Å; T29-D32 WeakPolarHBondContact O-CB 2.99Å; T29-D32 PolarHBondContact O-N 3.35Å; T29-D32 VanDerWaalsContact O-N 3.08Å; T29-D32 PolarHBondContact OG1-N 2.84Å; T29-D32 PolarHBondContact OG1-OD2 2.89Å; D32-R35 PolarHBondContact O-N 3.31Å; D32-R36 WeakPolarHBondContact O-CB 3.26Å; D32-R36 WeakPolarHBondContact O-CG 3.5Å; D32-R36 PolarHBondContact O-N 2.74Å; D32-H63 IonicContact OD1-CE1 3.8Å; D32-H63 PolarHBondContact OD1-CE1 2.81Å; D32-H63 IonicContact OD1-ND1 3.76Å; D32-H63 PolarHBondContact OD1-ND1 3.18Å; D32-H63 IonicContact OD2-ND1 3.83Å; D32-Y67 PolarHBondContact OD1-OH 3.05Å; D32-Y67 WeakPolarHBondContact OD2-CE2 3.49Å; D32-Y67 PolarHBondContact OD2-OH 3.21Å
33	F	89	Confident	83.3	Confident	101 Å²	101	61.8 Å²	61.8	44%	0.443	28%	0.276	S	S	.	.	H	α-helix	trans	-61.8	-47	178.5	-179	-92.1	0	0	0	111.6	I28 T29 R30 L31 R36 R37	I28-F33 HydrophobicContact CG2-CB 4.41Å; T29-F33 PolarHBondContact O-N 2.91Å; R30-F33 VanDerWaalsContact NH1-CD1 3.26Å; R30-F33 WeakPolarHBondContact O-CB 3.45Å; R30-F33 PolarHBondContact O-N 3.07Å; L31-F33 VanDerWaalsContact C-N 3.31Å; L31-F33 PolarHBondContact O-N 3.32Å; F33-R36 PolarHBondContact O-N 3.09Å; F33-R37 WeakPolarHBondContact O-CB 3.41Å; F33-R37 PolarHBondContact O-N 2.97Å
34	E	84.8	Confident	81.1	Confident	13 Å²	13	69.5 Å²	69.5	6%	0.061	31%	0.312	C	S	.	.	H	α-helix	trans	-65.8	-41.5	177.8	-65	-56.4	163.1	0	0	112.1	R30 L31 R36 R37 L38	R30-E34 IonicContact CZ-OE1 2.86Å; R30-E34 IonicContact NE-OE1 3.85Å; R30-E34 PolarHBondContact NE-OE1 3.13Å; R30-E34 IonicContact NH1-OE1 3.59Å; R30-E34 PolarHBondContact NH1-OE1 3.2Å; R30-E34 IonicContact NH2-OE1 3.83Å; R30-E34 PolarHBondContact NH2-OE1 3.34Å; R30-E34 WeakPolarHBondContact O-CG 3.38Å; R30-E34 PolarHBondContact O-N 2.83Å; L31-E34 PolarHBondContact O-N 2.64Å; E34-R36 VanDerWaalsContact C-N 3.35Å; E34-R36 PolarHBondContact O-N 3.13Å; E34-R37 WeakPolarHBondContact O-CB 3.42Å; E34-R37 PolarHBondContact O-N 2.66Å; E34-R37 IonicContact OE2-NH1 3.1Å; E34-L38 WeakPolarHBondContact O-CG 3.3Å; E34-L38 PolarHBondContact O-N 2.8Å
35	R	85.7	Confident	78.8	Confident	86 Å²	86	77 Å²	77	33%	0.325	35%	0.352	S	S	.	.	H	α-helix	trans	-59.2	-44.3	175.3	-76	177.7	175.9	159.4	1.7	112.4	L31 D32 R37 L38 Q39	L31-R35 WeakPolarHBondContact O-CG 3.46Å; L31-R35 PolarHBondContact O-N 2.72Å; D32-R35 PolarHBondContact O-N 3.31Å; R35-R37 VanDerWaalsContact C-N 3.33Å; R35-L38 PolarHBondContact O-N 3.47Å; R35-Q39 WeakPolarHBondContact O-CG 3.45Å; R35-Q39 PolarHBondContact O-N 3.3Å
36	R	83.5	Confident	76.5	Confident	92 Å²	92	79 Å²	79	35%	0.347	37%	0.366	S	S	.	.	H	α-helix	trans	-65.8	-36.4	176.2	-75.6	-176.3	177.9	168.7	8.8	112.6	D32 F33 E34 L38 K40 W90	D32-R36 WeakPolarHBondContact O-CB 3.26Å; D32-R36 WeakPolarHBondContact O-CG 3.5Å; D32-R36 PolarHBondContact O-N 2.74Å; F33-R36 PolarHBondContact O-N 3.09Å; E34-R36 VanDerWaalsContact C-N 3.35Å; E34-R36 PolarHBondContact O-N 3.13Å; R36-L38 VanDerWaalsContact C-N 3.34Å; R36-K40 WeakPolarHBondContact O-CG 3.3Å; R36-K40 PolarHBondContact O-N 3.09Å; R36-K40 VanDerWaalsContact O-N 3.12Å; R36-W90 VanDerWaalsContact NH1-CD1 3.32Å
37	R	78.1	Confident	74.1	Confident	100 Å²	100	87.9 Å²	87.9	38%	0.377	41%	0.407	S	S	.	.	H	α-helix	trans	-65.4	-39	175.9	-173.7	-174.6	-179	-175.9	3	111.5	F33 E34 R35 R41	F33-R37 WeakPolarHBondContact O-CB 3.41Å; F33-R37 PolarHBondContact O-N 2.97Å; E34-R37 WeakPolarHBondContact O-CB 3.42Å; E34-R37 PolarHBondContact O-N 2.66Å; E34-R37 IonicContact OE2-NH1 3.1Å; R35-R37 VanDerWaalsContact C-N 3.33Å; R37-R41 WeakPolarHBondContact O-CG 3.38Å; R37-R41 PolarHBondContact O-N 2.79Å
38	L	74	Confident	72.1	Confident	49 Å²	49	87 Å²	87	26%	0.257	41%	0.407	S	S	.	.	H	α-helix	trans	-69.3	-44.5	175.5	-69	170.9	0	0	0	111.7	E34 R35 R36 K40 R41 D42	E34-L38 WeakPolarHBondContact O-CG 3.3Å; E34-L38 PolarHBondContact O-N 2.8Å; R35-L38 PolarHBondContact O-N 3.47Å; R36-L38 VanDerWaalsContact C-N 3.34Å; L38-K40 PolarHBondContact O-N 2.93Å; L38-R41 CarbonylContact O-C 3.6Å; L38-R41 WeakPolarHBondContact O-CA 3.27Å; L38-R41 PolarHBondContact O-N 3.04Å; L38-D42 PolarHBondContact O-N 3.15Å
39	Q	73.3	Confident	70.3	Confident	130 Å²	130	89.5 Å²	89.5	61%	0.607	42%	0.423	S	S	*	.	H	α-helix	trans	-58.1	-33.8	175	-74.3	172.1	-4.8	0	0	113.1	R35 R41	R35-Q39 WeakPolarHBondContact O-CG 3.45Å; R35-Q39 PolarHBondContact O-N 3.3Å; Q39-R41 VanDerWaalsContact C-N 3.33Å
40	K	69.4	Low	68.5	Low	166 Å²	166	92.7 Å²	92.7	72%	0.722	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-16.8	173.6	-73.6	-174.3	176.2	-166.1	0	114.2	R36 L38	R36-K40 WeakPolarHBondContact O-CG 3.3Å; R36-K40 PolarHBondContact O-N 3.09Å; R36-K40 VanDerWaalsContact O-N 3.12Å; L38-K40 PolarHBondContact O-N 2.93Å
41	R	59.6	Low	66.9	Low	72 Å²	72	95.8 Å²	95.8	27%	0.272	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-18.7	-179.8	-81.8	177.5	170.3	-176.3	-13.9	113	R37 L38 Q39 D43 E44 D45 S46 G48	R37-R41 WeakPolarHBondContact O-CG 3.38Å; R37-R41 PolarHBondContact O-N 2.79Å; L38-R41 CarbonylContact O-C 3.6Å; L38-R41 WeakPolarHBondContact O-CA 3.27Å; L38-R41 PolarHBondContact O-N 3.04Å; Q39-R41 VanDerWaalsContact C-N 3.33Å; R41-D43 PolarHBondContact O-N 2.85Å; R41-D43 VanDerWaalsContact O-N 3.08Å; R41-E44 CarbonylContact O-C 2.96Å; R41-E44 WeakPolarHBondContact O-CA 3.42Å; R41-E44 PolarHBondContact O-N 2.91Å; R41-D45 PolarHBondContact O-N 2.8Å; R41-S46 VanDerWaalsContact C-OG 3.29Å; R41-S46 PolarHBondContact O-OG 2.89Å; R41-S46 VanDerWaalsContact O-OG 3.12Å; R41-G48 PolarHBondContact NH1-O 2.92Å
42	D	57.5	Low	65.3	Low	115 Å²	115	102.3 Å²	102.3	62%	0.615	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-11.7	171.3	-66.6	-28.5	0	0	0	111.9	L38 S46	L38-D42 PolarHBondContact O-N 3.15Å; D42-S46 WeakPolarHBondContact CA-OG 3.44Å; D42-S46 PolarHBondContact N-OG 2.82Å; D42-S46 PolarHBondContact OD1-OG 2.8Å
43	D	56.2	Low	63.8	Low	143 Å²	143	104.2 Å²	104.2	77%	0.765	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-19	165.9	-60.6	-34.6	0	0	0	113.8	R41	R41-D43 PolarHBondContact O-N 2.85Å; R41-D43 VanDerWaalsContact O-N 3.08Å
44	E	52.1	Low	62.5	Low	163 Å²	163	103.2 Å²	103.2	76%	0.762	52%	0.521	S	S	*	.	S	Bend	trans	-151	93.6	-178.8	-66.6	-163.8	165.9	0	0	111.7	R41	R41-E44 CarbonylContact O-C 2.96Å; R41-E44 WeakPolarHBondContact O-CA 3.42Å; R41-E44 PolarHBondContact O-N 2.91Å
45	D	49.1	Very low	61.8	Low	157 Å²	157	107.6 Å²	107.6	84%	0.84	54%	0.544	S	S	*	.			trans	47.1	86.3	167.3	-85.4	-24.1	0	0	0	118.2	R41 H47	R41-D45 PolarHBondContact O-N 2.8Å; D45-H47 PolarHBondContact O-N 3.3Å; D45-H47 VanDerWaalsContact O-N 3.12Å
46	S	48.5	Very low	61.3	Low	44 Å²	44	105.1 Å²	105.1	31%	0.308	54%	0.54	S	S	.	.			trans	-81.1	74.5	-178.3	-58.5	0	0	0	0	115.5	R41 D42	R41-S46 VanDerWaalsContact C-OG 3.29Å; R41-S46 PolarHBondContact O-OG 2.89Å; R41-S46 VanDerWaalsContact O-OG 3.12Å; D42-S46 WeakPolarHBondContact CA-OG 3.44Å; D42-S46 PolarHBondContact N-OG 2.82Å; D42-S46 PolarHBondContact OD1-OG 2.8Å
47	H	46.8	Very low	61.4	Low	189 Å²	189	103.5 Å²	103.5	88%	0.875	54%	0.543	S	S	*	.			trans	-125.3	58.6	167.1	-70.9	-30.3	0	0	0	113	D45	D45-H47 PolarHBondContact O-N 3.3Å; D45-H47 VanDerWaalsContact O-N 3.12Å
48	G	52.9	Low	61.7	Low	13 Å²	13	104.6 Å²	104.6	13%	0.134	55%	0.55	C	S	.	*			trans	-142.5	69.7	-169.8	0	0	0	0	0	117.2	R41	R41-G48 PolarHBondContact NH1-O 2.92Å
49	V	54.9	Low	62.3	Low	89 Å²	89	103.7 Å²	103.7	54%	0.539	55%	0.546	S	S	.	.			trans	65.8	87.3	136.7	-175.9	0	0	0	0	117.2	R51	V49-R51 HydrophobicContact CB-CG 4.39Å; V49-R51 HydrophobicContact CG1-CB 3.98Å; V49-R51 HydrophobicContact CG1-CG 3.68Å; V49-R51 HydrophobicContact CG2-CG 4.23Å
50	I	55.6	Low	63	Low	74 Å²	74	103.2 Å²	103.2	38%	0.379	54%	0.538	S	S	.	.				-105.6	96.4	125.3	-46	-178.5	0	0	0	105.7	C56	I50-C56 WeakPolarHBondContact CG2-SG 3.26Å
51	R	54.3	Low	63.9	Low	192 Å²	192	102.4 Å²	102.4	73%	0.725	54%	0.535	S	S	*	.			trans	-84.4	136.9	179.2	-85.3	169.1	132.8	-170.2	-6.3	109.3	V49	V49-R51 HydrophobicContact CB-CG 4.39Å; V49-R51 HydrophobicContact CG1-CB 3.98Å; V49-R51 HydrophobicContact CG1-CG 3.68Å; V49-R51 HydrophobicContact CG2-CG 4.23Å
52	D	56.2	Low	65.2	Low	142 Å²	142	100.1 Å²	100.1	76%	0.759	53%	0.527	S	S	*	.	S	Bend	trans	57.2	130.3	172.8	-78.1	-34.6	0	0	0	119.6	A54 D55 C56	D52-A54 VanDerWaalsContact C-N 3.25Å; D52-A54 PolarHBondContact O-N 3.42Å; D52-A54 VanDerWaalsContact O-N 3.08Å; D52-D55 PolarHBondContact O-N 2.85Å; D52-C56 PolarHBondContact O-N 3.2Å
53	G	59	Low	66.9	Low	59 Å²	59	95.6 Å²	95.6	61%	0.608	50%	0.502	S	S	*	.	H	α-helix	trans	-61	-22.7	-169.1	0	0	0	0	0	116.2	C56 S57	G53-C56 WeakPolarHBondContact O-CB 3.37Å; G53-S57 PolarHBondContact O-N 3.4Å; G53-S57 VanDerWaalsContact O-N 3.09Å
54	A	60.5	Low	68.6	Low	80 Å²	80	93 Å²	93	66%	0.661	49%	0.489	S	S	*	.	H	α-helix	trans	-68.9	-42.4	177.5	0	0	0	0	0	112.2	D52 S57 K58	D52-A54 VanDerWaalsContact C-N 3.25Å; D52-A54 PolarHBondContact O-N 3.42Å; D52-A54 VanDerWaalsContact O-N 3.08Å; A54-S57 PolarHBondContact O-N 3.43Å; A54-K58 PolarHBondContact O-N 2.85Å
55	D	71.2	Confident	70.3	Confident	104 Å²	104	86.6 Å²	86.6	56%	0.556	46%	0.463	S	S	*	.	H	α-helix	trans	-69.1	-38.8	177.5	-84.2	-16.8	0	0	0	110.9	D52 S57 K58 L59	D52-D55 PolarHBondContact O-N 2.85Å; D55-S57 PolarHBondContact O-N 2.81Å; D55-K58 PolarHBondContact O-N 2.89Å; D55-L59 WeakPolarHBondContact O-CB 3.44Å; D55-L59 VanDerWaalsContact O-CG 3.23Å; D55-L59 WeakPolarHBondContact O-CG 3.4Å; D55-L59 PolarHBondContact O-N 3.42Å
56	C	75.6	Confident	72.3	Confident	34 Å²	34	79.1 Å²	79.1	23%	0.23	42%	0.424	C	S	.	.	H	α-helix	trans	-52.2	-54.5	170	-69	0	0	0	0	111.2	I50 D52 G53 K58 L59 W60	I50-C56 WeakPolarHBondContact CG2-SG 3.26Å; D52-C56 PolarHBondContact O-N 3.2Å; G53-C56 WeakPolarHBondContact O-CB 3.37Å; C56-K58 VanDerWaalsContact C-N 3.33Å; C56-K58 PolarHBondContact O-N 3.07Å; C56-L59 PolarHBondContact O-N 3.48Å; C56-W60 WeakPolarHBondContact O-CB 3.36Å; C56-W60 PolarHBondContact O-N 3.42Å
57	S	84	Confident	74.5	Confident	58 Å²	58	80.4 Å²	80.4	41%	0.406	42%	0.422	S	S	.	.	H	α-helix	trans	-58.7	-43.3	-176	-172.6	0	0	0	0	112.2	G53 A54 D55 W60 K61	G53-S57 PolarHBondContact O-N 3.4Å; G53-S57 VanDerWaalsContact O-N 3.09Å; A54-S57 PolarHBondContact O-N 3.43Å; D55-S57 PolarHBondContact O-N 2.81Å; S57-W60 PolarHBondContact O-N 2.99Å; S57-K61 WeakPolarHBondContact O-CG 3.43Å; S57-K61 PolarHBondContact O-N 3.39Å
58	K	84.9	Confident	76.5	Confident	123 Å²	123	74.5 Å²	74.5	54%	0.535	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-45.3	177.1	-175.4	177.1	-179.9	177.1	0	112.1	A54 D55 C56 W60 K61 Q62	A54-K58 PolarHBondContact O-N 2.85Å; D55-K58 PolarHBondContact O-N 2.89Å; C56-K58 VanDerWaalsContact C-N 3.33Å; C56-K58 PolarHBondContact O-N 3.07Å; K58-W60 VanDerWaalsContact C-N 3.32Å; K58-W60 PolarHBondContact O-N 3.5Å; K58-K61 PolarHBondContact O-N 3.21Å; K58-Q62 WeakPolarHBondContact O-CG 3.36Å; K58-Q62 PolarHBondContact O-N 2.93Å
59	L	86.2	Confident	78.2	Confident	31 Å²	31	76.2 Å²	76.2	16%	0.162	41%	0.405	C	S	.	.	H	α-helix	trans	-61.2	-42.1	177.2	-70.2	175.4	0	0	0	111.6	R30 L31 D55 C56 H63	R30-L59 HydrophobicContact CB-CD2 3.66Å; R30-L59 HydrophobicContact CG-CD2 3.47Å; R30-L59 VanDerWaalsContact CG-CD2 3.47Å; L31-L59 HydrophobicContact CB-CB 4.46Å; D55-L59 WeakPolarHBondContact O-CB 3.44Å; D55-L59 VanDerWaalsContact O-CG 3.23Å; D55-L59 WeakPolarHBondContact O-CG 3.4Å; D55-L59 PolarHBondContact O-N 3.42Å; C56-L59 PolarHBondContact O-N 3.48Å; L59-H63 WeakPolarHBondContact O-CB 3.5Å; L59-H63 PolarHBondContact O-N 3.09Å
60	W	88.4	Confident	79.9	Confident	119 Å²	119	72.6 Å²	72.6	45%	0.451	38%	0.382	S	S	.	.	H	α-helix	trans	-63.4	-45.9	174.8	-85.6	103.8	0	0	0	112.6	L31 C56 S57 K58 Q62 H63 N64	L31-W60 HydrophobicContact CD2-CD2 3.65Å; L31-W60 HydrophobicContact CD2-CE3 3.89Å; L31-W60 HydrophobicContact CD2-CG 3.97Å; L31-W60 HydrophobicContact CD2-CZ3 4.48Å; C56-W60 WeakPolarHBondContact O-CB 3.36Å; C56-W60 PolarHBondContact O-N 3.42Å; S57-W60 PolarHBondContact O-N 2.99Å; K58-W60 VanDerWaalsContact C-N 3.32Å; K58-W60 PolarHBondContact O-N 3.5Å; W60-Q62 PolarHBondContact O-N 3.1Å; W60-H63 PolarHBondContact O-N 3.25Å; W60-N64 WeakPolarHBondContact O-CB 3.33Å; W60-N64 VanDerWaalsContact O-CG 3.23Å; W60-N64 PolarHBondContact O-N 3.41Å
61	K	89	Confident	81.6	Confident	149 Å²	149	75.5 Å²	75.5	65%	0.648	39%	0.392	S	S	*	.	H	α-helix	trans	-58.7	-47.6	176.3	-74.7	178.2	-177.1	-175.7	0	111.7	S57 K58 H63 N64 A65	S57-K61 WeakPolarHBondContact O-CG 3.43Å; S57-K61 PolarHBondContact O-N 3.39Å; K58-K61 PolarHBondContact O-N 3.21Å; K61-H63 PolarHBondContact O-N 3.06Å; K61-N64 PolarHBondContact O-N 2.9Å; K61-A65 VanDerWaalsContact O-CB 3.27Å; K61-A65 WeakPolarHBondContact O-CB 3.38Å; K61-A65 PolarHBondContact O-N 3.43Å
62	Q	87.2	Confident	83.3	Confident	25 Å²	25	72.8 Å²	72.8	12%	0.117	38%	0.382	C	S	.	.	H	α-helix	trans	-65.8	-37.7	178.4	-71.7	178.8	-14.1	0	0	112.6	K58 W60 H66	K58-Q62 WeakPolarHBondContact O-CG 3.36Å; K58-Q62 PolarHBondContact O-N 2.93Å; W60-Q62 PolarHBondContact O-N 3.1Å; Q62-H66 WeakPolarHBondContact O-CB 3.23Å; Q62-H66 PolarHBondContact O-N 3.41Å
63	H	91.8	Very high	84.7	Confident	19 Å²	19	66.7 Å²	66.7	9%	0.088	35%	0.349	C	S	.	.	H	α-helix	trans	-63.5	-52.4	174.8	175	93.2	0	0	0	111	T29 L31 D32 L59 W60 K61 A65 H66 Y67	T29-H63 HydrophobicContact CG2-CB 4.43Å; T29-H63 PolarHBondContact OG1-ND1 3.33Å; L31-H63 HydrophobicContact CB-CB 3.98Å; L31-H63 HydrophobicContact CD2-CB 3.74Å; L31-H63 HydrophobicContact CG-CB 4.49Å; D32-H63 IonicContact OD1-CE1 3.8Å; D32-H63 PolarHBondContact OD1-CE1 2.81Å; D32-H63 IonicContact OD1-ND1 3.76Å; D32-H63 PolarHBondContact OD1-ND1 3.18Å; D32-H63 IonicContact OD2-ND1 3.83Å; L59-H63 WeakPolarHBondContact O-CB 3.5Å; L59-H63 PolarHBondContact O-N 3.09Å; W60-H63 PolarHBondContact O-N 3.25Å; K61-H63 PolarHBondContact O-N 3.06Å; H63-A65 VanDerWaalsContact C-N 3.35Å; H63-A65 PolarHBondContact O-N 2.91Å; H63-H66 PolarHBondContact O-N 3.45Å; H63-Y67 AromaticContact CE1-CD2 3.55Å; H63-Y67 AromaticContact CE1-CE2 3.22Å; H63-Y67 WeakPolarHBondContact CE1-CE2 3.47Å; H63-Y67 AromaticContact ND1-CD2 3.75Å; H63-Y67 AromaticContact ND1-CE2 3.46Å; H63-Y67 WeakPolarHBondContact ND1-CE2 3.36Å; H63-Y67 AromaticContact NE2-CD2 3.76Å; H63-Y67 AromaticContact NE2-CE2 3.89Å; H63-Y67 WeakPolarHBondContact O-CD2 3.03Å; H63-Y67 PolarHBondContact O-N 3.22Å
64	N	91.7	Very high	86.2	Confident	90 Å²	90	64.6 Å²	64.6	48%	0.481	33%	0.325	S	S	.	.	H	α-helix	trans	-62.1	-42.4	179.5	-70.3	-8.4	0	0	0	111.7	W60 K61 Y67 S68	W60-N64 WeakPolarHBondContact O-CB 3.33Å; W60-N64 VanDerWaalsContact O-CG 3.23Å; W60-N64 PolarHBondContact O-N 3.41Å; K61-N64 PolarHBondContact O-N 2.9Å; N64-Y67 PolarHBondContact O-N 3.44Å; N64-S68 VanDerWaalsContact O-CB 3.31Å; N64-S68 WeakPolarHBondContact O-CB 3.48Å; N64-S68 PolarHBondContact O-N 3.45Å; N64-S68 PolarHBondContact O-OG 3.38Å
65	A	88.2	Confident	87.4	Confident	28 Å²	28	65.1 Å²	65.1	23%	0.231	31%	0.314	C	S	.	.	H	α-helix	trans	-56.1	-57.5	173.8	0	0	0	0	0	109.9	K61 H63 Y67 S68 Y69	K61-A65 VanDerWaalsContact O-CB 3.27Å; K61-A65 WeakPolarHBondContact O-CB 3.38Å; K61-A65 PolarHBondContact O-N 3.43Å; H63-A65 VanDerWaalsContact C-N 3.35Å; H63-A65 PolarHBondContact O-N 2.91Å; A65-Y67 PolarHBondContact O-N 3.49Å; A65-S68 PolarHBondContact O-N 3.09Å; A65-S68 PolarHBondContact O-OG 3.04Å; A65-Y69 VanDerWaalsContact O-CD2 3.29Å; A65-Y69 WeakPolarHBondContact O-CD2 3.2Å; A65-Y69 PolarHBondContact O-N 3.38Å; A65-Y69 VanDerWaalsContact O-N 3.08Å
66	H	91.5	Very high	88.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-51.3	-50.9	179.7	171.3	57.4	0	0	0	113.5	S26 K27 T29 Q62 H63 S68 Y69 L70 A106 T131	S26-H66 PolarHBondContact OG-CE1 2.93Å; S26-H66 VanDerWaalsContact OG-CE1 3.31Å; S26-H66 PolarHBondContact OG-NE2 3.2Å; K27-H66 WeakPolarHBondContact CE-ND1 3.22Å; K27-H66 WeakPolarHBondContact CG-CE1 3.42Å; K27-H66 WeakPolarHBondContact CG-ND1 3.32Å; K27-H66 PolarHBondContact O-NE2 3.18Å; T29-H66 HydrophobicContact CG2-CB 3.95Å; T29-H66 VanDerWaalsContact CG2-CD2 3.4Å; T29-H66 WeakPolarHBondContact CG2-CD2 3.41Å; Q62-H66 WeakPolarHBondContact O-CB 3.23Å; Q62-H66 PolarHBondContact O-N 3.41Å; H63-H66 PolarHBondContact O-N 3.45Å; H66-S68 VanDerWaalsContact C-N 3.33Å; H66-S68 PolarHBondContact O-N 3.36Å; H66-Y69 PolarHBondContact O-N 3.39Å; H66-L70 WeakPolarHBondContact O-CB 3.48Å; H66-L70 PolarHBondContact O-N 2.99Å; H66-A106 PolarHBondContact CE1-O 2.66Å; H66-T131 VanDerWaalsContact ND1-CB 3.32Å; H66-T131 WeakPolarHBondContact ND1-CB 3.49Å; H66-T131 PolarHBondContact ND1-OG1 3.4Å
67	Y	94.5	Very high	88.7	Confident	70 Å²	70	62.1 Å²	62.1	28%	0.275	29%	0.294	S	S	.	.	H	α-helix	trans	-70.7	-26.7	-178.2	-78.8	-77	0	0	0	113.1	T29 D32 H63 N64 A65 L70 K71	T29-Y67 HydrophobicContact CG2-CD2 4.38Å; T29-Y67 HydrophobicContact CG2-CE2 3.89Å; D32-Y67 PolarHBondContact OD1-OH 3.05Å; D32-Y67 WeakPolarHBondContact OD2-CE2 3.49Å; D32-Y67 PolarHBondContact OD2-OH 3.21Å; H63-Y67 AromaticContact CE1-CD2 3.55Å; H63-Y67 AromaticContact CE1-CE2 3.22Å; H63-Y67 WeakPolarHBondContact CE1-CE2 3.47Å; H63-Y67 AromaticContact ND1-CD2 3.75Å; H63-Y67 AromaticContact ND1-CE2 3.46Å; H63-Y67 WeakPolarHBondContact ND1-CE2 3.36Å; H63-Y67 AromaticContact NE2-CD2 3.76Å; H63-Y67 AromaticContact NE2-CE2 3.89Å; H63-Y67 WeakPolarHBondContact O-CD2 3.03Å; H63-Y67 PolarHBondContact O-N 3.22Å; N64-Y67 PolarHBondContact O-N 3.44Å; A65-Y67 PolarHBondContact O-N 3.49Å; Y67-L70 HydrophobicContact CD1-CD2 3.86Å; Y67-L70 HydrophobicContact CE1-CD2 4.01Å; Y67-K71 VanDerWaalsContact O-CB 3.28Å; Y67-K71 WeakPolarHBondContact O-CB 3.48Å; Y67-K71 PolarHBondContact O-N 2.85Å
68	S	89.8	Confident	88.8	Confident	65 Å²	65	62.5 Å²	62.5	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-67	-42.9	171.8	73.5	0	0	0	0	112.1	N64 A65 H66 K71 R72	N64-S68 VanDerWaalsContact O-CB 3.31Å; N64-S68 WeakPolarHBondContact O-CB 3.48Å; N64-S68 PolarHBondContact O-N 3.45Å; N64-S68 PolarHBondContact O-OG 3.38Å; A65-S68 PolarHBondContact O-N 3.09Å; A65-S68 PolarHBondContact O-OG 3.04Å; H66-S68 VanDerWaalsContact C-N 3.33Å; H66-S68 PolarHBondContact O-N 3.36Å; S68-K71 PolarHBondContact O-N 2.96Å; S68-R72 PolarHBondContact O-N 3.28Å
69	Y	88.4	Confident	88.7	Confident	49 Å²	49	60.3 Å²	60.3	19%	0.192	30%	0.301	C	S	.	.	H	α-helix	trans	-66.9	-42.9	174.3	-81.6	-100.8	0	0	0	111.2	A65 H66 K71 R72 I73 F186	A65-Y69 VanDerWaalsContact O-CD2 3.29Å; A65-Y69 WeakPolarHBondContact O-CD2 3.2Å; A65-Y69 PolarHBondContact O-N 3.38Å; A65-Y69 VanDerWaalsContact O-N 3.08Å; H66-Y69 PolarHBondContact O-N 3.39Å; Y69-K71 VanDerWaalsContact C-N 3.34Å; Y69-K71 PolarHBondContact O-N 3.33Å; Y69-R72 WeakPolarHBondContact O-CA 3.32Å; Y69-R72 WeakPolarHBondContact O-CB 3.26Å; Y69-R72 PolarHBondContact O-N 3.2Å; Y69-R72 VanDerWaalsContact O-N 3.09Å; Y69-I73 WeakPolarHBondContact O-CG1 3.43Å; Y69-I73 PolarHBondContact O-N 2.94Å; Y69-F186 HydrophobicContact CD1-CE1 4.38Å; Y69-F186 HydrophobicContact CD1-CE2 4.29Å; Y69-F186 AromaticContact CD1-CZ 3.64Å; Y69-F186 HydrophobicContact CD1-CZ 3.64Å; Y69-F186 HydrophobicContact CE1-CD2 4.36Å; Y69-F186 AromaticContact CE1-CE1 3.72Å; Y69-F186 HydrophobicContact CE1-CE1 3.72Å; Y69-F186 AromaticContact CE1-CE2 3.34Å; Y69-F186 HydrophobicContact CE1-CE2 3.34Å; Y69-F186 AromaticContact CE1-CZ 2.98Å; Y69-F186 HydrophobicContact CE1-CZ 2.98Å; Y69-F186 AromaticContact CZ-CE1 3.85Å; Y69-F186 AromaticContact CZ-CE2 3.89Å; Y69-F186 AromaticContact CZ-CZ 3.56Å
70	L	91	Very high	88.8	Confident	13 Å²	13	63.8 Å²	63.8	7%	0.068	31%	0.312	C	S	.	.	H	α-helix	trans	-58.9	-46	175.6	-177.4	65.9	0	0	0	111.5	V24 S26 H66 Y67 R72 I73 C74 V86 A106	V24-L70 HydrophobicContact CG1-CD1 3.72Å; S26-L70 WeakPolarHBondContact OG-CD2 3.48Å; H66-L70 WeakPolarHBondContact O-CB 3.48Å; H66-L70 PolarHBondContact O-N 2.99Å; Y67-L70 HydrophobicContact CD1-CD2 3.86Å; Y67-L70 HydrophobicContact CE1-CD2 4.01Å; L70-R72 PolarHBondContact O-N 3.17Å; L70-I73 WeakPolarHBondContact O-CB 3.29Å; L70-I73 PolarHBondContact O-N 3.49Å; L70-C74 PolarHBondContact O-N 3.2Å; L70-C74 PolarHBondContact O-SG 3.08Å; L70-C74 VanDerWaalsContact O-SG 3.32Å; L70-V86 HydrophobicContact CD1-CG1 4.22Å; L70-V86 HydrophobicContact CD2-CG1 4.19Å; L70-A106 HydrophobicContact CD1-CB 3.92Å
71	K	91.5	Very high	88.8	Confident	136 Å²	136	65.5 Å²	65.5	59%	0.591	33%	0.33	S	S	*	.	H	α-helix	trans	-56.6	-41.8	174.2	-177.6	178.3	-179.7	179.9	0	111	Y67 S68 Y69 C74 Q75	Y67-K71 VanDerWaalsContact O-CB 3.28Å; Y67-K71 WeakPolarHBondContact O-CB 3.48Å; Y67-K71 PolarHBondContact O-N 2.85Å; S68-K71 PolarHBondContact O-N 2.96Å; Y69-K71 VanDerWaalsContact C-N 3.34Å; Y69-K71 PolarHBondContact O-N 3.33Å; K71-C74 PolarHBondContact O-N 3.06Å; K71-Q75 VanDerWaalsContact O-CG 3.28Å; K71-Q75 WeakPolarHBondContact O-CG 3.5Å; K71-Q75 PolarHBondContact O-N 2.81Å
72	R	88.3	Confident	88.9	Confident	134 Å²	134	59.2 Å²	59.2	51%	0.506	30%	0.303	S	S	.	.	H	α-helix	trans	-63.9	-44.5	177	-175.6	59.6	-179.1	-159.3	0.4	112.3	S68 Y69 L70 C74 Q75 E76	S68-R72 PolarHBondContact O-N 3.28Å; Y69-R72 WeakPolarHBondContact O-CA 3.32Å; Y69-R72 WeakPolarHBondContact O-CB 3.26Å; Y69-R72 PolarHBondContact O-N 3.2Å; Y69-R72 VanDerWaalsContact O-N 3.09Å; L70-R72 PolarHBondContact O-N 3.17Å; R72-C74 VanDerWaalsContact C-N 3.31Å; R72-C74 PolarHBondContact O-N 3.4Å; R72-Q75 WeakPolarHBondContact O-CB 3.41Å; R72-Q75 PolarHBondContact O-N 3.04Å; R72-E76 IonicContact CZ-OE1 3.49Å; R72-E76 IonicContact NE-OE1 2.63Å; R72-E76 PolarHBondContact NE-OE1 3.32Å; R72-E76 IonicContact NH2-OE1 2.81Å; R72-E76 PolarHBondContact NH2-OE1 3.33Å; R72-E76 WeakPolarHBondContact O-CG 3.4Å; R72-E76 PolarHBondContact O-N 2.78Å
73	I	86.3	Confident	89.3	Confident	15 Å²	15	62.5 Å²	62.5	8%	0.077	32%	0.319	C	S	.	.	H	α-helix	trans	-54.5	-50.1	175.3	-65.3	165.8	0	0	0	110.1	V24 Y69 L70 Q75 E76 L77 I104 A106 I129 T131	V24-I73 HydrophobicContact CG1-CG2 4.46Å; V24-I73 HydrophobicContact CG2-CG2 4.3Å; Y69-I73 WeakPolarHBondContact O-CG1 3.43Å; Y69-I73 PolarHBondContact O-N 2.94Å; L70-I73 WeakPolarHBondContact O-CB 3.29Å; L70-I73 PolarHBondContact O-N 3.49Å; I73-Q75 VanDerWaalsContact C-N 3.35Å; I73-Q75 PolarHBondContact O-N 2.76Å; I73-E76 PolarHBondContact O-N 3.41Å; I73-L77 HydrophobicContact CG2-CD1 4.14Å; I73-L77 WeakPolarHBondContact O-CG 3.31Å; I73-L77 PolarHBondContact O-N 3.18Å; I73-I104 HydrophobicContact CG2-CD1 4.23Å; I73-I104 HydrophobicContact CG2-CG2 4.36Å; I73-A106 HydrophobicContact CD1-CB 3.8Å; I73-I129 HydrophobicContact CD1-CB 4.11Å; I73-I129 HydrophobicContact CD1-CD1 3.78Å; I73-I129 HydrophobicContact CD1-CG2 3.91Å; I73-I129 HydrophobicContact CG1-CD1 3.81Å; I73-I129 HydrophobicContact CG1-CG2 4.49Å; I73-T131 HydrophobicContact CD1-CG2 4.44Å
74	C	90.7	Very high	89.6	Confident	14 Å²	14	65.8 Å²	65.8	10%	0.095	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-40.6	179.4	-63.4	0	0	0	0	112.7	L70 K71 R72 E76 L77 S78 Y84	L70-C74 PolarHBondContact O-N 3.2Å; L70-C74 PolarHBondContact O-SG 3.08Å; L70-C74 VanDerWaalsContact O-SG 3.32Å; K71-C74 PolarHBondContact O-N 3.06Å; R72-C74 VanDerWaalsContact C-N 3.31Å; R72-C74 PolarHBondContact O-N 3.4Å; C74-E76 PolarHBondContact O-N 3.17Å; C74-L77 PolarHBondContact O-N 3.32Å; C74-S78 WeakPolarHBondContact O-CB 3.18Å; C74-S78 PolarHBondContact O-N 2.78Å; C74-Y84 HydrophobicContact CB-CD2 4.44Å; C74-Y84 HydrophobicContact CB-CE1 4.44Å; C74-Y84 HydrophobicContact CB-CE2 3.7Å
75	Q	85.5	Confident	89.9	Confident	92 Å²	92	66 Å²	66	43%	0.43	33%	0.327	S	S	.	.	H	α-helix	trans	-62	-41.4	175.5	-74.6	173.2	-25	0	0	112.1	K71 R72 I73 S78 A79	K71-Q75 VanDerWaalsContact O-CG 3.28Å; K71-Q75 WeakPolarHBondContact O-CG 3.5Å; K71-Q75 PolarHBondContact O-N 2.81Å; R72-Q75 WeakPolarHBondContact O-CB 3.41Å; R72-Q75 PolarHBondContact O-N 3.04Å; I73-Q75 VanDerWaalsContact C-N 3.35Å; I73-Q75 PolarHBondContact O-N 2.76Å; Q75-S78 PolarHBondContact O-N 3.46Å; Q75-A79 VanDerWaalsContact O-CB 3.26Å; Q75-A79 WeakPolarHBondContact O-CB 3.28Å; Q75-A79 PolarHBondContact O-N 3.47Å
76	E	86.7	Confident	90.4	Very high	62 Å²	62	67.8 Å²	67.8	29%	0.29	34%	0.336	S	S	.	.	H	α-helix	trans	-67.4	-37.4	178.2	-66.5	-67.2	164.8	0	0	112.5	R72 I73 C74 R80	R72-E76 IonicContact CZ-OE1 3.49Å; R72-E76 IonicContact NE-OE1 2.63Å; R72-E76 PolarHBondContact NE-OE1 3.32Å; R72-E76 IonicContact NH2-OE1 2.81Å; R72-E76 PolarHBondContact NH2-OE1 3.33Å; R72-E76 WeakPolarHBondContact O-CG 3.4Å; R72-E76 PolarHBondContact O-N 2.78Å; I73-E76 PolarHBondContact O-N 3.41Å; C74-E76 PolarHBondContact O-N 3.17Å; E76-R80 PolarHBondContact O-N 3.08Å; E76-R80 PolarHBondContact O-NH1 3.36Å; E76-R80 IonicContact OE2-CZ 2.99Å; E76-R80 IonicContact OE2-NH1 2.64Å; E76-R80 PolarHBondContact OE2-NH1 3.06Å; E76-R80 IonicContact OE2-NH2 2.83Å; E76-R80 PolarHBondContact OE2-NH2 2.97Å; E76-R80 VanDerWaalsContact OE2-NH2 3.13Å
77	L	88.1	Confident	90.7	Very high	13 Å²	13	68.6 Å²	68.6	7%	0.068	34%	0.34	C	S	.	.	H	α-helix	trans	-65.7	-49	174.2	-67.9	171.2	0	0	0	110.8	V22 V24 I73 C74 A79 R80 N81 I82 Y84 I104	V22-L77 HydrophobicContact CB-CD1 4.28Å; V22-L77 HydrophobicContact CB-CD2 4.12Å; V22-L77 HydrophobicContact CG1-CD1 3.99Å; V22-L77 HydrophobicContact CG1-CD2 4.16Å; V22-L77 HydrophobicContact CG2-CD2 4.03Å; V24-L77 HydrophobicContact CG2-CD1 3.76Å; I73-L77 HydrophobicContact CG2-CD1 4.14Å; I73-L77 WeakPolarHBondContact O-CG 3.31Å; I73-L77 PolarHBondContact O-N 3.18Å; C74-L77 PolarHBondContact O-N 3.32Å; L77-A79 PolarHBondContact O-N 3.06Å; L77-R80 PolarHBondContact O-N 2.94Å; L77-R80 VanDerWaalsContact O-N 3.09Å; L77-N81 PolarHBondContact O-N 2.91Å; L77-I82 HydrophobicContact CB-CB 4.35Å; L77-I82 HydrophobicContact CD2-CB 4.29Å; L77-I82 HydrophobicContact CD2-CD1 4.03Å; L77-I82 HydrophobicContact CD2-CG2 4.06Å; L77-I82 PolarHBondContact O-N 3.09Å; L77-Y84 HydrophobicContact CB-CD1 3.82Å; L77-Y84 HydrophobicContact CB-CE1 4.48Å; L77-Y84 HydrophobicContact CB-CG 4.31Å; L77-Y84 HydrophobicContact CD1-CD1 4.38Å; L77-Y84 HydrophobicContact CD1-CG 4.02Å; L77-I104 HydrophobicContact CD1-CD1 4.28Å; L77-I104 HydrophobicContact CD2-CD1 4.18Å
78	S	85.9	Confident	90.8	Very high	66 Å²	66	66.5 Å²	66.5	46%	0.462	33%	0.333	S	S	.	.	H	α-helix	trans	-59.4	-44.4	178	-175.9	0	0	0	0	112.2	C74 Q75 R80 N81	C74-S78 WeakPolarHBondContact O-CB 3.18Å; C74-S78 PolarHBondContact O-N 2.78Å; Q75-S78 PolarHBondContact O-N 3.46Å; S78-R80 PolarHBondContact O-N 3.12Å; S78-R80 VanDerWaalsContact O-N 3.09Å; S78-N81 PolarHBondContact O-N 3.39Å
79	A	82.5	Confident	91.1	Very high	77 Å²	77	68.9 Å²	68.9	64%	0.636	33%	0.332	S	S	*	.	H	α-helix	trans	-62.4	-17.9	178.7	0	0	0	0	0	113.7	Q75 L77	Q75-A79 VanDerWaalsContact O-CB 3.26Å; Q75-A79 WeakPolarHBondContact O-CB 3.28Å; Q75-A79 PolarHBondContact O-N 3.47Å; L77-A79 PolarHBondContact O-N 3.06Å
80	R	86.8	Confident	91.3	Very high	104 Å²	104	74.6 Å²	74.6	39%	0.392	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	10.9	176.7	-71.5	168.7	-175.5	71.8	-4.7	112.9	E76 L77 S78 I82	E76-R80 PolarHBondContact O-N 3.08Å; E76-R80 PolarHBondContact O-NH1 3.36Å; E76-R80 IonicContact OE2-CZ 2.99Å; E76-R80 IonicContact OE2-NH1 2.64Å; E76-R80 PolarHBondContact OE2-NH1 3.06Å; E76-R80 IonicContact OE2-NH2 2.83Å; E76-R80 PolarHBondContact OE2-NH2 2.97Å; E76-R80 VanDerWaalsContact OE2-NH2 3.13Å; L77-R80 PolarHBondContact O-N 2.94Å; L77-R80 VanDerWaalsContact O-N 3.09Å; S78-R80 PolarHBondContact O-N 3.12Å; S78-R80 VanDerWaalsContact O-N 3.09Å; R80-I82 HydrophobicContact CB-CD1 3.87Å; R80-I82 HydrophobicContact CB-CG1 3.99Å; R80-I82 PolarHBondContact O-N 2.86Å
81	N	88.9	Confident	91.6	Very high	155 Å²	155	78.4 Å²	78.4	83%	0.829	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	33.2	-175.9	-56.7	-52.6	0	0	0	113.3	L77 S78	L77-N81 PolarHBondContact O-N 2.91Å; S78-N81 PolarHBondContact O-N 3.39Å
82	I	90.4	Very high	91.9	Very high	17 Å²	17	72 Å²	72	9%	0.087	35%	0.346	C	S	.	.			trans	-91.6	122.3	175.2	-58.9	170.8	0	0	0	107.8	P19 V22 L77 R80	P19-I82 HydrophobicContact CG-CD1 4.25Å; V22-I82 HydrophobicContact CB-CG2 4.06Å; V22-I82 HydrophobicContact CG2-CG2 3.57Å; L77-I82 HydrophobicContact CB-CB 4.35Å; L77-I82 HydrophobicContact CD2-CB 4.29Å; L77-I82 HydrophobicContact CD2-CD1 4.03Å; L77-I82 HydrophobicContact CD2-CG2 4.06Å; L77-I82 PolarHBondContact O-N 3.09Å; R80-I82 HydrophobicContact CB-CD1 3.87Å; R80-I82 HydrophobicContact CB-CG1 3.99Å; R80-I82 PolarHBondContact O-N 2.86Å
83	E	97.5	Very high	92.3	Very high	94 Å²	94	68.5 Å²	68.5	44%	0.439	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	134	172.5	-173.3	-175.3	178.1	0	0	108.7	S20 R21 V22 W99	S20-E83 WeakPolarHBondContact O-CB 3.04Å; S20-E83 PolarHBondContact O-N 3.35Å; R21-E83 CarbonylContact C-O 3.59Å; R21-E83 VanDerWaalsContact CA-O 3.26Å; R21-E83 WeakPolarHBondContact CA-O 3.28Å; R21-E83 HydrophobicContact CG-CB 4.01Å; R21-E83 HydrophobicContact CG-CG 4.39Å; R21-E83 WeakPolarHBondContact CG-OE2 3.26Å; R21-E83 IonicContact CZ-OE2 2.66Å; R21-E83 IonicContact NE-OE2 3.3Å; R21-E83 PolarHBondContact NE-OE2 3.46Å; R21-E83 IonicContact NH2-OE2 2.79Å; V22-E83 PolarHBondContact N-O 3.45Å; E83-W99 HydrophobicContact CG-CH2 4.14Å; E83-W99 HydrophobicContact CG-CZ2 3.82Å; E83-W99 WeakPolarHBondContact OE1-CZ2 3.3Å
84	Y	96.8	Very high	92.7	Very high	88 Å²	88	70.4 Å²	70.4	35%	0.345	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	148.3	-179.4	69.1	-90.4	0	0	0	113.4	V22 C74 L77 V86	V22-Y84 WeakPolarHBondContact O-CA 3.32Å; V22-Y84 WeakPolarHBondContact O-CB 3.39Å; C74-Y84 HydrophobicContact CB-CD2 4.44Å; C74-Y84 HydrophobicContact CB-CE1 4.44Å; C74-Y84 HydrophobicContact CB-CE2 3.7Å; L77-Y84 HydrophobicContact CB-CD1 3.82Å; L77-Y84 HydrophobicContact CB-CE1 4.48Å; L77-Y84 HydrophobicContact CB-CG 4.31Å; L77-Y84 HydrophobicContact CD1-CD1 4.38Å; L77-Y84 HydrophobicContact CD1-CG 4.02Å; Y84-V86 HydrophobicContact CD2-CG2 4.08Å; Y84-V86 HydrophobicContact CE2-CG2 4.19Å
85	K	98.4	Very high	93	Very high	93 Å²	93	75.9 Å²	75.9	40%	0.404	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.5	168.7	-74.6	176	-176.5	169.5	0	108.9	V22 L23 V24 W99	V22-K85 PolarHBondContact O-N 2.89Å; V22-K85 VanDerWaalsContact O-N 3.12Å; L23-K85 HydrophobicContact CD1-CB 3.91Å; V24-K85 PolarHBondContact N-O 3.47Å; K85-W99 HydrophobicContact CB-CE3 4.45Å; K85-W99 HydrophobicContact CB-CH2 4.05Å; K85-W99 HydrophobicContact CB-CZ3 3.83Å; K85-W99 HydrophobicContact CD-CD2 3.83Å; K85-W99 HydrophobicContact CD-CE3 3.78Å; K85-W99 HydrophobicContact CD-CH2 3.84Å; K85-W99 HydrophobicContact CD-CZ2 3.83Å; K85-W99 HydrophobicContact CD-CZ3 3.8Å; K85-W99 VanDerWaalsContact CE-CE2 3.44Å; K85-W99 HydrophobicContact CG-CE3 4.29Å; K85-W99 HydrophobicContact CG-CH2 3.59Å; K85-W99 HydrophobicContact CG-CZ2 3.92Å; K85-W99 HydrophobicContact CG-CZ3 3.78Å
86	V	98.3	Very high	93.6	Very high	67 Å²	67	72.1 Å²	72.1	41%	0.406	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.5	171.3	-174.8	0	0	0	0	107.9	V24 L70 Y84	V24-V86 HydrophobicContact CB-CG2 4.25Å; V24-V86 WeakPolarHBondContact O-CA 2.68Å; L70-V86 HydrophobicContact CD1-CG1 4.22Å; L70-V86 HydrophobicContact CD2-CG1 4.19Å; Y84-V86 HydrophobicContact CD2-CG2 4.08Å; Y84-V86 HydrophobicContact CE2-CG2 4.19Å
87	V	98.1	Very high	94	Very high	16 Å²	16	69.5 Å²	69.5	10%	0.097	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	156.5	178.1	-65.2	0	0	0	0	110.3	L23 V24 L25 S26 D91 Y92	L23-V87 HydrophobicContact CD1-CB 4.36Å; L23-V87 HydrophobicContact CD1-CG1 3.76Å; L23-V87 HydrophobicContact CD1-CG2 3.67Å; L23-V87 HydrophobicContact CD2-CG2 4.16Å; L23-V87 HydrophobicContact CG-CG2 3.87Å; V24-V87 PolarHBondContact O-N 2.72Å; L25-V87 HydrophobicContact CD1-CG2 4.33Å; S26-V87 PolarHBondContact N-O 3.47Å; V87-D91 HydrophobicContact CB-CB 4.06Å; V87-D91 HydrophobicContact CG1-CB 4.1Å; V87-Y92 HydrophobicContact CG2-CD2 3.9Å
88	Q	96.8	Very high	94.4	Very high	27 Å²	27	73.9 Å²	73.9	13%	0.126	37%	0.371	C	S	.	.			trans	-107.1	179.5	168.4	-66.9	-176.9	-6.2	0	0	110	I28 W90 D91 Y92	I28-Q88 HydrophobicContact CD1-CB 4.42Å; I28-Q88 HydrophobicContact CG1-CB 4.16Å; I28-Q88 HydrophobicContact CG1-CG 4.3Å; Q88-W90 PolarHBondContact O-N 2.93Å; Q88-D91 PolarHBondContact O-N 2.86Å; Q88-Y92 WeakPolarHBondContact O-CB 3.48Å; Q88-Y92 PolarHBondContact O-N 3.25Å
89	R	95.3	Very high	94.9	Very high	114 Å²	114	72.8 Å²	72.8	43%	0.43	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-36.4	-179	172.3	174.9	-77.8	121.5	-1.2	114	I28 L114	I28-R89 HydrophobicContact CD1-CB 4.42Å; R89-L114 HydrophobicContact CB-CD2 3.85Å; R89-L114 HydrophobicContact CG-CD2 3.85Å
90	W	93.5	Very high	95.5	Very high	170 Å²	170	69.3 Å²	69.3	64%	0.644	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-36.5	-176	-41.8	109.1	0	0	0	112.6	I28 R36 Q88	I28-W90 HydrophobicContact CD1-CZ2 4.16Å; R36-W90 VanDerWaalsContact NH1-CD1 3.32Å; Q88-W90 PolarHBondContact O-N 2.93Å
91	D	96.7	Very high	95.7	Very high	93 Å²	93	67.9 Å²	67.9	50%	0.497	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	1.1	-178.3	-44.1	-66	0	0	0	112.2	V87 Q88 N93	V87-D91 HydrophobicContact CB-CB 4.06Å; V87-D91 HydrophobicContact CG1-CB 4.1Å; Q88-D91 PolarHBondContact O-N 2.86Å; D91-N93 PolarHBondContact O-N 3.34Å; D91-N93 VanDerWaalsContact O-N 3.11Å
92	Y	97.5	Very high	95.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.289	C	S	.	.			trans	-83.3	79.8	176.1	-169.6	-115.1	0	0	0	110	L23 L25 V87 Q88 I97 V103 L114 A115 K118	L23-Y92 HydrophobicContact CD2-CD2 3.82Å; L23-Y92 HydrophobicContact CD2-CE2 3.64Å; L25-Y92 HydrophobicContact CB-CD2 4.24Å; L25-Y92 HydrophobicContact CB-CE2 4.31Å; L25-Y92 HydrophobicContact CD1-CD1 4.41Å; L25-Y92 HydrophobicContact CD1-CD2 4Å; L25-Y92 HydrophobicContact CD1-CG 3.82Å; L25-Y92 HydrophobicContact CD2-CD1 3.92Å; L25-Y92 HydrophobicContact CD2-CD2 4.2Å; L25-Y92 HydrophobicContact CD2-CE1 3.99Å; L25-Y92 HydrophobicContact CD2-CE2 4.26Å; L25-Y92 HydrophobicContact CD2-CG 4.05Å; L25-Y92 HydrophobicContact CG-CD2 4.37Å; L25-Y92 HydrophobicContact CG-CG 4.42Å; V87-Y92 HydrophobicContact CG2-CD2 3.9Å; Q88-Y92 WeakPolarHBondContact O-CB 3.48Å; Q88-Y92 PolarHBondContact O-N 3.25Å; Y92-I97 HydrophobicContact CD2-CG1 4.41Å; Y92-I97 HydrophobicContact CE1-CD1 3.97Å; Y92-I97 HydrophobicContact CE2-CD1 4.04Å; Y92-I97 HydrophobicContact CE2-CG1 3.75Å; Y92-V103 HydrophobicContact CE2-CG1 4.17Å; Y92-L114 HydrophobicContact CD1-CG 4.44Å; Y92-A115 HydrophobicContact CE1-CB 4.49Å; Y92-A115 WeakPolarHBondContact OH-CA 3.36Å; Y92-A115 PolarHBondContact OH-O 2.61Å; Y92-A115 VanDerWaalsContact OH-O 3.05Å; Y92-K118 HydrophobicContact CD1-CB 4.39Å; Y92-K118 HydrophobicContact CD1-CD 3.64Å; Y92-K118 HydrophobicContact CD1-CG 4.18Å; Y92-K118 HydrophobicContact CE1-CB 3.73Å; Y92-K118 HydrophobicContact CE1-CD 3.85Å; Y92-K118 HydrophobicContact CE1-CG 3.91Å; Y92-K118 WeakPolarHBondContact O-CD 3.18Å; Y92-K118 PolarHBondContact O-NZ 3.47Å
93	N	97	Very high	95.9	Very high	61 Å²	61	59.7 Å²	59.7	33%	0.326	28%	0.284	S	S	.	.			trans	-114.9	170	-176.9	60.6	18.2	0	0	0	111.5	D91 E95 A96 I97	D91-N93 PolarHBondContact O-N 3.34Å; D91-N93 VanDerWaalsContact O-N 3.11Å; N93-E95 VanDerWaalsContact C-N 3.25Å; N93-E95 WeakPolarHBondContact CB-OE2 3.42Å; N93-E95 PolarHBondContact O-N 3.38Å; N93-E95 PolarHBondContact OD1-OE2 3.33Å; N93-A96 PolarHBondContact O-N 3.11Å; N93-A96 VanDerWaalsContact OD1-CB 3.22Å; N93-A96 WeakPolarHBondContact OD1-CB 3.49Å; N93-A96 PolarHBondContact OD1-N 3.42Å; N93-I97 WeakPolarHBondContact O-CG1 3.42Å; N93-I97 PolarHBondContact O-N 3.35Å
94	P	95.8	Very high	95.7	Very high	56 Å²	56	55.9 Å²	55.9	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-54.1	-40.6	177.7	-27.5	37.3	0	0	0	113.1	A96 I97 D98	P94-A96 VanDerWaalsContact C-N 3.32Å; P94-A96 PolarHBondContact O-N 2.86Å; P94-I97 PolarHBondContact O-N 3.31Å; P94-I97 VanDerWaalsContact O-N 3.08Å; P94-D98 WeakPolarHBondContact O-CB 3.22Å; P94-D98 VanDerWaalsContact O-CG 3.23Å; P94-D98 PolarHBondContact O-N 2.87Å
95	E	97	Very high	95.5	Very high	129 Å²	129	51.8 Å²	51.8	60%	0.603	25%	0.251	S	S	*	.	H	α-helix	trans	-61.8	-39.1	-179	-60	75.9	-166.8	0	0	112.1	N93 W99	N93-E95 VanDerWaalsContact C-N 3.25Å; N93-E95 WeakPolarHBondContact CB-OE2 3.42Å; N93-E95 PolarHBondContact O-N 3.38Å; N93-E95 PolarHBondContact OD1-OE2 3.33Å; E95-W99 WeakPolarHBondContact O-CB 3.42Å; E95-W99 PolarHBondContact O-N 2.87Å; E95-W99 VanDerWaalsContact O-N 3.17Å
96	A	97.5	Very high	95.2	Very high	13 Å²	13	47.3 Å²	47.3	11%	0.107	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-39.8	175	0	0	0	0	0	111.9	L23 N93 P94 W99	L23-A96 HydrophobicContact CD1-CB 4.13Å; L23-A96 HydrophobicContact CD2-CB 3.86Å; N93-A96 PolarHBondContact O-N 3.11Å; N93-A96 VanDerWaalsContact OD1-CB 3.22Å; N93-A96 WeakPolarHBondContact OD1-CB 3.49Å; N93-A96 PolarHBondContact OD1-N 3.42Å; P94-A96 VanDerWaalsContact C-N 3.32Å; P94-A96 PolarHBondContact O-N 2.86Å; A96-W99 PolarHBondContact O-N 2.93Å
97	I	95.2	Very high	94.9	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-69.1	-37.8	179.4	-64.8	169	0	0	0	110.7	L23 Y92 N93 P94 W99 C100 K118 I119 K124	L23-I97 HydrophobicContact CD2-CG1 4.24Å; Y92-I97 HydrophobicContact CD2-CG1 4.41Å; Y92-I97 HydrophobicContact CE1-CD1 3.97Å; Y92-I97 HydrophobicContact CE2-CD1 4.04Å; Y92-I97 HydrophobicContact CE2-CG1 3.75Å; N93-I97 WeakPolarHBondContact O-CG1 3.42Å; N93-I97 PolarHBondContact O-N 3.35Å; P94-I97 PolarHBondContact O-N 3.31Å; P94-I97 VanDerWaalsContact O-N 3.08Å; I97-W99 VanDerWaalsContact C-N 3.32Å; I97-C100 PolarHBondContact O-N 2.82Å; I97-C100 PolarHBondContact O-SG 3.39Å; I97-K118 HydrophobicContact CD1-CB 3.52Å; I97-I119 HydrophobicContact CG2-CG1 4.28Å; I97-K124 HydrophobicContact CG2-CD 3.57Å; I97-K124 WeakPolarHBondContact O-CE 3.46Å; I97-K124 PolarHBondContact O-NZ 3.41Å
98	D	95.7	Very high	94.3	Very high	105 Å²	105	45 Å²	45	56%	0.561	23%	0.225	S	C	*	.	H	α-helix	trans	-71.1	-28.8	178.6	-67.5	-11.4	0	0	0	112.1	P94 C100 K124	P94-D98 WeakPolarHBondContact O-CB 3.22Å; P94-D98 VanDerWaalsContact O-CG 3.23Å; P94-D98 PolarHBondContact O-N 2.87Å; D98-C100 VanDerWaalsContact C-N 3.3Å; D98-C100 PolarHBondContact O-N 3.43Å; D98-K124 IonicContact OD1-NZ 3.13Å
99	W	97.6	Very high	93.6	Very high	44 Å²	44	47.3 Å²	47.3	17%	0.167	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-26.3	177.3	170.2	84.5	0	0	0	114	R21 E83 K85 E95 A96 I97	R21-W99 HydrophobicContact CB-CH2 3.99Å; R21-W99 HydrophobicContact CB-CZ2 4.2Å; R21-W99 HydrophobicContact CB-CZ3 4.16Å; R21-W99 WeakPolarHBondContact CD-O 3.2Å; R21-W99 HydrophobicContact CG-CH2 4.11Å; R21-W99 HydrophobicContact CG-CZ2 3.86Å; E83-W99 HydrophobicContact CG-CH2 4.14Å; E83-W99 HydrophobicContact CG-CZ2 3.82Å; E83-W99 WeakPolarHBondContact OE1-CZ2 3.3Å; K85-W99 HydrophobicContact CB-CE3 4.45Å; K85-W99 HydrophobicContact CB-CH2 4.05Å; K85-W99 HydrophobicContact CB-CZ3 3.83Å; K85-W99 HydrophobicContact CD-CD2 3.83Å; K85-W99 HydrophobicContact CD-CE3 3.78Å; K85-W99 HydrophobicContact CD-CH2 3.84Å; K85-W99 HydrophobicContact CD-CZ2 3.83Å; K85-W99 HydrophobicContact CD-CZ3 3.8Å; K85-W99 VanDerWaalsContact CE-CE2 3.44Å; K85-W99 HydrophobicContact CG-CE3 4.29Å; K85-W99 HydrophobicContact CG-CH2 3.59Å; K85-W99 HydrophobicContact CG-CZ2 3.92Å; K85-W99 HydrophobicContact CG-CZ3 3.78Å; E95-W99 WeakPolarHBondContact O-CB 3.42Å; E95-W99 PolarHBondContact O-N 2.87Å; E95-W99 VanDerWaalsContact O-N 3.17Å; A96-W99 PolarHBondContact O-N 2.93Å; I97-W99 VanDerWaalsContact C-N 3.32Å
100	C	95.5	Very high	93.2	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.027	24%	0.24	C	C	.	.			trans	-104.2	153.1	-173	68.3	0	0	0	0	114.3	L23 I97 D98 A102	L23-C100 HydrophobicContact CB-CB 3.74Å; L23-C100 VanDerWaalsContact CB-SG 3.52Å; I97-C100 PolarHBondContact O-N 2.82Å; I97-C100 PolarHBondContact O-SG 3.39Å; D98-C100 VanDerWaalsContact C-N 3.3Å; D98-C100 PolarHBondContact O-N 3.43Å; C100-A102 PolarHBondContact SG-O 3.04Å
101	D	90.7	Very high	93	Very high	73 Å²	73	36.7 Å²	36.7	39%	0.39	21%	0.214	S	C	.	.	S	Bend	trans	-81.7	-23.5	171.6	-52.9	-47.8	0	0	0	111.6	P19 S20 R21 P125	P19-D101 HydrophobicContact CB-CB 4.01Å; S20-D101 WeakPolarHBondContact CA-OD2 3.49Å; S20-D101 WeakPolarHBondContact CB-OD2 3.15Å; S20-D101 PolarHBondContact N-OD2 3.22Å; R21-D101 PolarHBondContact N-OD2 3.28Å; R21-D101 PolarHBondContact O-N 3.5Å; D101-P125 WeakPolarHBondContact O-CD 3.23Å
102	A	90.9	Very high	92.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	157.7	177.5	0	0	0	0	0	113.2	F17 R21 V22 L23 C100 P125	F17-A102 HydrophobicContact CE1-CB 4.37Å; F17-A102 HydrophobicContact CE2-CB 3.61Å; F17-A102 HydrophobicContact CZ-CB 3.28Å; R21-A102 PolarHBondContact O-N 3.44Å; V22-A102 WeakPolarHBondContact CA-O 3.49Å; L23-A102 PolarHBondContact N-O 3.25Å; C100-A102 PolarHBondContact SG-O 3.04Å; A102-P125 HydrophobicContact CB-CB 4.18Å; A102-P125 HydrophobicContact CB-CG 4.39Å
103	V	92.2	Very high	92.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.1	178.1	-176.9	0	0	0	0	110.4	L23 Y92 A115 I119 P125 L126 I127	L23-V103 HydrophobicContact CB-CG2 4.45Å; L23-V103 CarbonylContact O-C 3.44Å; L23-V103 VanDerWaalsContact O-CA 3.3Å; L23-V103 WeakPolarHBondContact O-CA 3.4Å; Y92-V103 HydrophobicContact CE2-CG1 4.17Å; V103-A115 HydrophobicContact CG1-CB 4.32Å; V103-I119 HydrophobicContact CB-CD1 3.98Å; V103-I119 HydrophobicContact CG1-CD1 4.47Å; V103-I119 HydrophobicContact CG2-CD1 3.81Å; V103-I119 HydrophobicContact CG2-CG1 4.32Å; V103-P125 PolarHBondContact N-O 3.33Å; V103-L126 HydrophobicContact CB-CD1 3.89Å; V103-L126 HydrophobicContact CG1-CD1 3.73Å; V103-L126 CarbonylContact O-C 3.59Å; V103-L126 WeakPolarHBondContact O-CA 3.39Å; V103-I127 PolarHBondContact O-N 3.21Å
104	I	93.9	Very high	91.8	Very high	13 Å²	13	37.6 Å²	37.6	7%	0.067	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.6	167.4	-62.4	179.4	0	0	0	108.5	V22 L23 V24 L25 I73 L77 I127 I129	V22-I104 HydrophobicContact CG1-CB 4.37Å; V22-I104 HydrophobicContact CG1-CD1 3.63Å; V22-I104 HydrophobicContact CG1-CG1 3.67Å; L23-I104 PolarHBondContact O-N 3.47Å; V24-I104 CarbonylContact C-O 3.52Å; V24-I104 VanDerWaalsContact CA-O 3.26Å; V24-I104 WeakPolarHBondContact CA-O 3.41Å; V24-I104 HydrophobicContact CG1-CG2 4.49Å; V24-I104 HydrophobicContact CG2-CB 4.35Å; L25-I104 PolarHBondContact N-O 3.27Å; I73-I104 HydrophobicContact CG2-CD1 4.23Å; I73-I104 HydrophobicContact CG2-CG2 4.36Å; L77-I104 HydrophobicContact CD1-CD1 4.28Å; L77-I104 HydrophobicContact CD2-CD1 4.18Å; I104-I127 CarbonylContact C-O 3.48Å; I104-I127 VanDerWaalsContact CA-O 3.3Å; I104-I127 WeakPolarHBondContact CA-O 3.49Å; I104-I127 HydrophobicContact CG1-CB 4.22Å; I104-I127 HydrophobicContact CG1-CD1 4.32Å; I104-I129 HydrophobicContact CG2-CD1 3.72Å; I104-I129 HydrophobicContact CG2-CG1 4.04Å
105	S	91.9	Very high	91.6	Very high	2 Å²	2	35 Å²	35	1%	0.014	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.8	168.5	75.2	0	0	0	0	110.3	L25 Y112 I127 G128 I129	L25-S105 CarbonylContact O-C 3.52Å; S105-Y112 WeakPolarHBondContact OG-CA 3.45Å; S105-Y112 WeakPolarHBondContact OG-CD2 3.34Å; S105-I127 PolarHBondContact N-O 3.08Å; S105-G128 WeakPolarHBondContact OG-CA 3.4Å; S105-I129 PolarHBondContact O-N 3.48Å
106	A	92.8	Very high	91.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	94.9	179	0	0	0	0	0	109.8	V24 L25 K27 H66 L70 I73 T131	V24-A106 HydrophobicContact CG1-CB 4.05Å; L25-A106 PolarHBondContact O-N 3.02Å; K27-A106 PolarHBondContact N-O 3.06Å; H66-A106 PolarHBondContact CE1-O 2.66Å; L70-A106 HydrophobicContact CD1-CB 3.92Å; I73-A106 HydrophobicContact CD1-CB 3.8Å; A106-T131 HydrophobicContact CB-CG2 3.9Å
107	G	90.7	Very high	90.9	Very high	2 Å²	2	34.5 Å²	34.5	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	-140.2	-168.4	0	0	0	0	0	113.5	I129 N130 T131	G107-I129 PolarHBondContact N-O 3.44Å; G107-N130 CarbonylContact O-C 3.51Å; G107-N130 VanDerWaalsContact O-CA 3.23Å; G107-N130 WeakPolarHBondContact O-CA 3.27Å; G107-N130 PolarHBondContact O-OD1 3.19Å; G107-T131 VanDerWaalsContact CA-OG1 3.32Å; G107-T131 WeakPolarHBondContact CA-OG1 3.41Å; G107-T131 PolarHBondContact N-OG1 3.04Å; G107-T131 PolarHBondContact O-N 3.44Å
108	G	85.6	Confident	90.8	Very high	33 Å²	33	38.1 Å²	38.1	34%	0.34	23%	0.227	S	C	.	.	S	Bend	trans	-120.9	-160.5	164.6	0	0	0	0	0	109.8	G110 T111 Y112	G108-G110 VanDerWaalsContact C-N 3.31Å; G108-G110 PolarHBondContact O-N 3.01Å; G108-T111 WeakPolarHBondContact O-CB 3.4Å; G108-T111 PolarHBondContact O-N 3.07Å; G108-Y112 PolarHBondContact O-N 3.01Å; G108-Y112 VanDerWaalsContact O-N 3.09Å
109	D	82.1	Confident	90.4	Very high	74 Å²	74	34.3 Å²	34.3	40%	0.396	21%	0.207	S	C	.	.	H	α-helix	trans	-56.5	-42.3	-176.5	-55.4	-45.3	0	0	0	112.9	T111 Y112 L113	D109-T111 PolarHBondContact O-N 2.89Å; D109-Y112 PolarHBondContact O-N 2.99Å; D109-Y112 VanDerWaalsContact O-N 3.1Å; D109-L113 WeakPolarHBondContact O-CB 3.36Å; D109-L113 WeakPolarHBondContact O-CG 3.35Å; D109-L113 PolarHBondContact O-N 2.69Å
110	G	87.5	Confident	89.9	Confident	47 Å²	47	42.6 Å²	42.6	49%	0.485	24%	0.238	S	C	.	.	H	α-helix	trans	-62.5	-24.4	177.5	0	0	0	0	0	114.2	G108 L114	G108-G110 VanDerWaalsContact C-N 3.31Å; G108-G110 PolarHBondContact O-N 3.01Å; G110-L114 VanDerWaalsContact O-CB 3.32Å; G110-L114 WeakPolarHBondContact O-CB 3.32Å; G110-L114 PolarHBondContact O-N 3Å
111	T	88.6	Confident	89.2	Confident	14 Å²	14	46.4 Å²	46.4	9%	0.086	26%	0.255	C	S	.	.	H	α-helix	trans	-81.7	-41.2	173.3	-52.5	0	0	0	0	110.7	L25 K27 G108 D109 L114 A115	L25-T111 HydrophobicContact CD2-CG2 4.22Å; L25-T111 HydrophobicContact CG-CG2 3.98Å; L25-T111 WeakPolarHBondContact O-CG2 3.45Å; K27-T111 WeakPolarHBondContact CB-OG1 3.38Å; G108-T111 WeakPolarHBondContact O-CB 3.4Å; G108-T111 PolarHBondContact O-N 3.07Å; D109-T111 PolarHBondContact O-N 2.89Å; T111-L114 PolarHBondContact O-N 3.33Å; T111-A115 PolarHBondContact O-N 3.06Å
112	Y	88.5	Confident	88.7	Confident	32 Å²	32	49.9 Å²	49.9	13%	0.125	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-49	176.5	-178.1	-93.6	0	0	0	111.8	S105 G108 D109 L114 A115 A116 L126 V143	S105-Y112 WeakPolarHBondContact OG-CA 3.45Å; S105-Y112 WeakPolarHBondContact OG-CD2 3.34Å; G108-Y112 PolarHBondContact O-N 3.01Å; G108-Y112 VanDerWaalsContact O-N 3.09Å; D109-Y112 PolarHBondContact O-N 2.99Å; D109-Y112 VanDerWaalsContact O-N 3.1Å; Y112-L114 VanDerWaalsContact C-N 3.32Å; Y112-L114 PolarHBondContact O-N 3.47Å; Y112-A115 WeakPolarHBondContact O-CB 3.42Å; Y112-A115 PolarHBondContact O-N 2.9Å; Y112-A115 VanDerWaalsContact O-N 3.09Å; Y112-A116 PolarHBondContact O-N 3.27Å; Y112-L126 HydrophobicContact CD2-CD2 4.26Å; Y112-L126 HydrophobicContact CD2-CG 4.34Å; Y112-L126 HydrophobicContact CE1-CD2 4.45Å; Y112-L126 HydrophobicContact CE2-CD2 3.81Å; Y112-L126 HydrophobicContact CE2-CG 3.78Å; Y112-V143 WeakPolarHBondContact OH-CB 3.19Å; Y112-V143 PolarHBondContact OH-O 3.42Å; Y112-V143 VanDerWaalsContact OH-O 3.07Å
113	L	88.8	Confident	88.1	Confident	114 Å²	114	53.2 Å²	53.2	60%	0.597	29%	0.292	S	S	*	.	H	α-helix	trans	-64.1	-36.3	178.4	-66	176.6	0	0	0	112.1	D109 A115 A116 S117	D109-L113 WeakPolarHBondContact O-CB 3.36Å; D109-L113 WeakPolarHBondContact O-CG 3.35Å; D109-L113 PolarHBondContact O-N 2.69Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-A116 PolarHBondContact O-N 2.98Å; L113-S117 WeakPolarHBondContact O-CB 3.49Å; L113-S117 PolarHBondContact O-N 3.19Å; L113-S117 PolarHBondContact O-OG 2.91Å
114	L	90.3	Very high	87.8	Confident	28 Å²	28	53.8 Å²	53.8	15%	0.147	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-44.6	171.6	174.4	67.4	0	0	0	111.1	L25 R89 Y92 G110 T111 Y112 S117	L25-L114 HydrophobicContact CD2-CB 4.42Å; L25-L114 HydrophobicContact CD2-CD2 3.99Å; L25-L114 HydrophobicContact CD2-CG 4.09Å; R89-L114 HydrophobicContact CB-CD2 3.85Å; R89-L114 HydrophobicContact CG-CD2 3.85Å; Y92-L114 HydrophobicContact CD1-CG 4.44Å; G110-L114 VanDerWaalsContact O-CB 3.32Å; G110-L114 WeakPolarHBondContact O-CB 3.32Å; G110-L114 PolarHBondContact O-N 3Å; T111-L114 PolarHBondContact O-N 3.33Å; Y112-L114 VanDerWaalsContact C-N 3.32Å; Y112-L114 PolarHBondContact O-N 3.47Å; L114-S117 PolarHBondContact O-N 2.81Å; L114-S117 PolarHBondContact O-OG 3.39Å
115	A	90.1	Very high	87.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-52.8	176.2	0	0	0	0	0	110.8	L25 Y92 V103 T111 Y112 L113 S117 K118 I119 L126	L25-A115 HydrophobicContact CD2-CB 3.75Å; Y92-A115 HydrophobicContact CE1-CB 4.49Å; Y92-A115 WeakPolarHBondContact OH-CA 3.36Å; Y92-A115 PolarHBondContact OH-O 2.61Å; Y92-A115 VanDerWaalsContact OH-O 3.05Å; V103-A115 HydrophobicContact CG1-CB 4.32Å; T111-A115 PolarHBondContact O-N 3.06Å; Y112-A115 WeakPolarHBondContact O-CB 3.42Å; Y112-A115 PolarHBondContact O-N 2.9Å; Y112-A115 VanDerWaalsContact O-N 3.09Å; L113-A115 VanDerWaalsContact C-N 3.34Å; A115-S117 VanDerWaalsContact C-N 3.26Å; A115-S117 PolarHBondContact O-N 3.34Å; A115-K118 PolarHBondContact O-N 3.3Å; A115-I119 PolarHBondContact O-N 3.08Å; A115-L126 HydrophobicContact CB-CD1 3.53Å; A115-L126 HydrophobicContact CB-CD2 3.94Å; A115-L126 HydrophobicContact CB-CG 4.41Å
116	A	89.3	Confident	87.4	Confident	44 Å²	44	54.1 Å²	54.1	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-56.6	-38.6	-179.5	0	0	0	0	0	112.7	Y112 L113 K118 I119 L126	Y112-A116 PolarHBondContact O-N 3.27Å; L113-A116 PolarHBondContact O-N 2.98Å; A116-K118 PolarHBondContact O-N 2.9Å; A116-I119 PolarHBondContact O-N 2.97Å; A116-L126 HydrophobicContact CB-CD2 3.71Å
117	S	91.3	Very high	87.2	Confident	89 Å²	89	57.1 Å²	57.1	62%	0.622	31%	0.313	S	S	*	.	H	α-helix	trans	-64.9	-19.4	-177.7	70.7	0	0	0	0	115.4	L113 L114 A115	L113-S117 WeakPolarHBondContact O-CB 3.49Å; L113-S117 PolarHBondContact O-N 3.19Å; L113-S117 PolarHBondContact O-OG 2.91Å; L114-S117 PolarHBondContact O-N 2.81Å; L114-S117 PolarHBondContact O-OG 3.39Å; A115-S117 VanDerWaalsContact C-N 3.26Å; A115-S117 PolarHBondContact O-N 3.34Å
118	K	92.2	Very high	87.1	Confident	81 Å²	81	57.6 Å²	57.6	35%	0.352	32%	0.318	S	S	.	.	H	α-helix	trans	-108.8	-14	-177.6	-58.1	-159.3	-174.2	-175.6	0	114	Y92 I97 A115 A116 R120	Y92-K118 HydrophobicContact CD1-CB 4.39Å; Y92-K118 HydrophobicContact CD1-CD 3.64Å; Y92-K118 HydrophobicContact CD1-CG 4.18Å; Y92-K118 HydrophobicContact CE1-CB 3.73Å; Y92-K118 HydrophobicContact CE1-CD 3.85Å; Y92-K118 HydrophobicContact CE1-CG 3.91Å; Y92-K118 WeakPolarHBondContact O-CD 3.18Å; Y92-K118 PolarHBondContact O-NZ 3.47Å; I97-K118 HydrophobicContact CD1-CB 3.52Å; A115-K118 PolarHBondContact O-N 3.3Å; A116-K118 PolarHBondContact O-N 2.9Å; K118-R120 PolarHBondContact O-N 2.84Å
119	I	88	Confident	87.3	Confident	26 Å²	26	58.9 Å²	58.9	13%	0.133	32%	0.316	C	S	.	.			trans	-78.5	114.2	176.1	-63.4	170.2	0	0	0	108.4	I97 V103 A115 A116 K124 L126	I97-I119 HydrophobicContact CG2-CG1 4.28Å; V103-I119 HydrophobicContact CB-CD1 3.98Å; V103-I119 HydrophobicContact CG1-CD1 4.47Å; V103-I119 HydrophobicContact CG2-CD1 3.81Å; V103-I119 HydrophobicContact CG2-CG1 4.32Å; A115-I119 PolarHBondContact O-N 3.08Å; A116-I119 PolarHBondContact O-N 2.97Å; I119-K124 HydrophobicContact CG2-CB 3.85Å; I119-K124 HydrophobicContact CG2-CD 4.39Å; I119-K124 HydrophobicContact CG2-CG 4.16Å; I119-L126 HydrophobicContact CD1-CB 3.85Å; I119-L126 HydrophobicContact CD1-CD1 4.13Å; I119-L126 HydrophobicContact CD1-CD2 4.17Å; I119-L126 HydrophobicContact CD1-CG 4.26Å
120	R	86.5	Confident	87.4	Confident	218 Å²	218	57.5 Å²	57.5	82%	0.823	31%	0.309	S	S	*	.			trans	-94.6	-28.8	-179.9	-63.1	-175.8	177.9	126.2	-3.7	113.1	K118	K118-R120 PolarHBondContact O-N 2.84Å
121	E	82.1	Confident	87.3	Confident	84 Å²	84	55.3 Å²	55.3	39%	0.393	29%	0.286	S	S	.	.			trans	-80	118.4	179.9	-69.6	164.7	-126.9	0	0	110.8	S123 K124	E121-S123 PolarHBondContact O-N 3.1Å; E121-K124 HydrophobicContact CB-CB 3.92Å; E121-K124 VanDerWaalsContact CD-NZ 3.35Å; E121-K124 WeakPolarHBondContact O-CB 3.22Å; E121-K124 PolarHBondContact O-N 3.49Å; E121-K124 VanDerWaalsContact O-N 3.13Å; E121-K124 IonicContact OE1-NZ 3.33Å; E121-K124 PolarHBondContact OE1-NZ 2.91Å; E121-K124 VanDerWaalsContact OE2-CE 3.27Å; E121-K124 WeakPolarHBondContact OE2-CE 3.5Å; E121-K124 IonicContact OE2-NZ 3.36Å; E121-K124 PolarHBondContact OE2-NZ 2.63Å
122	Q	78.7	Confident	86.6	Confident	146 Å²	146	55.2 Å²	55.2	68%	0.682	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.9	178.3	-169.4	175.1	33.4	0	0	113.1
123	S	80.1	Confident	85.3	Confident	71 Å²	71	55.3 Å²	55.3	50%	0.497	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.7	178.2	51	0	0	0	0	114.1	E121 P125	E121-S123 PolarHBondContact O-N 3.1Å; S123-P125 WeakPolarHBondContact O-CD 3.46Å
124	K	84.6	Confident	83.9	Confident	12 Å²	12	55.4 Å²	55.4	5%	0.052	30%	0.295	C	S	.	.	S	Bend	trans	-84.3	109	-175.8	-174.3	159.1	-72.5	168.7	0	110	I97 D98 I119 E121	I97-K124 HydrophobicContact CG2-CD 3.57Å; I97-K124 WeakPolarHBondContact O-CE 3.46Å; I97-K124 PolarHBondContact O-NZ 3.41Å; D98-K124 IonicContact OD1-NZ 3.13Å; I119-K124 HydrophobicContact CG2-CB 3.85Å; I119-K124 HydrophobicContact CG2-CD 4.39Å; I119-K124 HydrophobicContact CG2-CG 4.16Å; E121-K124 HydrophobicContact CB-CB 3.92Å; E121-K124 VanDerWaalsContact CD-NZ 3.35Å; E121-K124 WeakPolarHBondContact O-CB 3.22Å; E121-K124 PolarHBondContact O-N 3.49Å; E121-K124 VanDerWaalsContact O-N 3.13Å; E121-K124 IonicContact OE1-NZ 3.33Å; E121-K124 PolarHBondContact OE1-NZ 2.91Å; E121-K124 VanDerWaalsContact OE2-CE 3.27Å; E121-K124 WeakPolarHBondContact OE2-CE 3.5Å; E121-K124 IonicContact OE2-NZ 3.36Å; E121-K124 PolarHBondContact OE2-NZ 2.63Å
125	P	89.1	Confident	82.2	Confident	11 Å²	11	62.4 Å²	62.4	7%	0.071	32%	0.319	C	S	.	.			trans	-67.8	140.2	-174	-20.2	35	0	0	0	111.9	F17 D101 A102 V103 S123	F17-P125 HydrophobicContact CD1-CB 4.43Å; F17-P125 HydrophobicContact CD1-CG 4.24Å; F17-P125 HydrophobicContact CD2-CG 4.2Å; F17-P125 HydrophobicContact CE1-CB 4.08Å; F17-P125 HydrophobicContact CE1-CG 4.2Å; F17-P125 HydrophobicContact CE2-CG 3.99Å; F17-P125 HydrophobicContact CG-CG 4.4Å; F17-P125 HydrophobicContact CZ-CB 4.18Å; F17-P125 HydrophobicContact CZ-CG 4.12Å; D101-P125 WeakPolarHBondContact O-CD 3.23Å; A102-P125 HydrophobicContact CB-CB 4.18Å; A102-P125 HydrophobicContact CB-CG 4.39Å; V103-P125 PolarHBondContact N-O 3.33Å; S123-P125 WeakPolarHBondContact O-CD 3.46Å
126	L	88.7	Confident	80	Confident	11 Å²	11	63.9 Å²	63.9	6%	0.058	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.4	172.5	174.5	60.5	0	0	0	110.5	V103 Y112 A115 A116 I119	V103-L126 HydrophobicContact CB-CD1 3.89Å; V103-L126 HydrophobicContact CG1-CD1 3.73Å; V103-L126 CarbonylContact O-C 3.59Å; V103-L126 WeakPolarHBondContact O-CA 3.39Å; Y112-L126 HydrophobicContact CD2-CD2 4.26Å; Y112-L126 HydrophobicContact CD2-CG 4.34Å; Y112-L126 HydrophobicContact CE1-CD2 4.45Å; Y112-L126 HydrophobicContact CE2-CD2 3.81Å; Y112-L126 HydrophobicContact CE2-CG 3.78Å; A115-L126 HydrophobicContact CB-CD1 3.53Å; A115-L126 HydrophobicContact CB-CD2 3.94Å; A115-L126 HydrophobicContact CB-CG 4.41Å; A116-L126 HydrophobicContact CB-CD2 3.71Å; I119-L126 HydrophobicContact CD1-CB 3.85Å; I119-L126 HydrophobicContact CD1-CD1 4.13Å; I119-L126 HydrophobicContact CD1-CD2 4.17Å; I119-L126 HydrophobicContact CD1-CG 4.26Å
127	I	88.7	Confident	77.7	Confident	63 Å²	63	66 Å²	66	32%	0.323	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.2	-180	-58.8	162.4	0	0	0	109.5	F17 V103 I104 S105 I129	F17-I127 HydrophobicContact CE1-CD1 4.23Å; V103-I127 PolarHBondContact O-N 3.21Å; I104-I127 CarbonylContact C-O 3.48Å; I104-I127 VanDerWaalsContact CA-O 3.3Å; I104-I127 WeakPolarHBondContact CA-O 3.49Å; I104-I127 HydrophobicContact CG1-CB 4.22Å; I104-I127 HydrophobicContact CG1-CD1 4.32Å; S105-I127 PolarHBondContact N-O 3.08Å; I127-I129 HydrophobicContact CG2-CG1 4.36Å
128	G	89.3	Confident	75.1	Confident	12 Å²	12	64.6 Å²	64.6	12%	0.124	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.4	175.1	0	0	0	0	0	112.9	S105	S105-G128 WeakPolarHBondContact OG-CA 3.4Å
129	I	88.1	Confident	72.5	Confident	59 Å²	59	65.1 Å²	65.1	30%	0.303	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.2	171.4	-58.3	-179.6	0	0	0	109.2	I73 I104 S105 G107 I127 T131	I73-I129 HydrophobicContact CD1-CB 4.11Å; I73-I129 HydrophobicContact CD1-CD1 3.78Å; I73-I129 HydrophobicContact CD1-CG2 3.91Å; I73-I129 HydrophobicContact CG1-CD1 3.81Å; I73-I129 HydrophobicContact CG1-CG2 4.49Å; I104-I129 HydrophobicContact CG2-CD1 3.72Å; I104-I129 HydrophobicContact CG2-CG1 4.04Å; S105-I129 PolarHBondContact O-N 3.48Å; G107-I129 PolarHBondContact N-O 3.44Å; I127-I129 HydrophobicContact CG2-CG1 4.36Å; I129-T131 PolarHBondContact O-N 3.2Å
130	N	86.1	Confident	70.1	Confident	46 Å²	46	67.2 Å²	67.2	25%	0.246	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	122	173.3	-170	-7.4	0	0	0	110	G107 D132 S136	G107-N130 CarbonylContact O-C 3.51Å; G107-N130 VanDerWaalsContact O-CA 3.23Å; G107-N130 WeakPolarHBondContact O-CA 3.27Å; G107-N130 PolarHBondContact O-OD1 3.19Å; N130-D132 PolarHBondContact OD1-N 3.33Å; N130-S136 PolarHBondContact ND2-OG 3.38Å
131	T	85.1	Confident	67.7	Low	0 Å²	0	61.2 Å²	61.2	0%	0	35%	0.352	C	S	.	.	S	Bend	trans	-108.9	12.9	-179.1	56.2	0	0	0	0	113.1	H66 I73 A106 G107 I129	H66-T131 VanDerWaalsContact ND1-CB 3.32Å; H66-T131 WeakPolarHBondContact ND1-CB 3.49Å; H66-T131 PolarHBondContact ND1-OG1 3.4Å; I73-T131 HydrophobicContact CD1-CG2 4.44Å; A106-T131 HydrophobicContact CB-CG2 3.9Å; G107-T131 VanDerWaalsContact CA-OG1 3.32Å; G107-T131 WeakPolarHBondContact CA-OG1 3.41Å; G107-T131 PolarHBondContact N-OG1 3.04Å; G107-T131 PolarHBondContact O-N 3.44Å; I129-T131 PolarHBondContact O-N 3.2Å
132	D	73.2	Confident	65.7	Low	13 Å²	13	59.9 Å²	59.9	7%	0.07	35%	0.35	C	S	.	.			trans	-141.9	67.5	173.4	-165.7	-11.2	0	0	0	110.8	K27 N130 T134 R135 S136	K27-D132 IonicContact NZ-OD2 3.21Å; N130-D132 PolarHBondContact OD1-N 3.33Å; D132-T134 PolarHBondContact O-N 2.99Å; D132-T134 PolarHBondContact OD1-OG1 3.46Å; D132-R135 PolarHBondContact O-N 3.34Å; D132-R135 WeakPolarHBondContact OD1-CB 3.46Å; D132-R135 PolarHBondContact OD1-N 2.97Å; D132-S136 PolarHBondContact O-OG 3.44Å
133	P	61	Low	63.7	Low	34 Å²	34	56.4 Å²	56.4	22%	0.221	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.8	-176.3	27.6	-34.7	0	0	0	112.8	M191	P133-M191 HydrophobicContact CB-SD 4.23Å
134	T	59.6	Low	61.7	Low	116 Å²	116	56.8 Å²	56.8	71%	0.712	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-21	-176.7	63	0	0	0	0	114.5	D132	D132-T134 PolarHBondContact O-N 2.99Å; D132-T134 PolarHBondContact OD1-OG1 3.46Å
135	R	53.8	Low	59.5	Low	175 Å²	175	60 Å²	60	66%	0.66	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-19.8	-174.9	-172.7	174.1	176.3	152.5	-1.3	113.2	D132	D132-R135 PolarHBondContact O-N 3.34Å; D132-R135 WeakPolarHBondContact OD1-CB 3.46Å; D132-R135 PolarHBondContact OD1-N 2.97Å
136	S	44.8	Very low	56.9	Low	31 Å²	31	63.4 Å²	63.4	22%	0.217	37%	0.374	C	S	.	.			trans	-105	108.3	-177	46.1	0	0	0	0	110.6	N130 D132 S138	N130-S136 PolarHBondContact ND2-OG 3.38Å; D132-S136 PolarHBondContact O-OG 3.44Å; S136-S138 WeakPolarHBondContact CB-O 3.42Å; S136-S138 WeakPolarHBondContact CB-OG 3.46Å; S136-S138 PolarHBondContact O-N 3.09Å; S136-S138 VanDerWaalsContact O-N 3.15Å
137	G	41.5	Very low	54.3	Low	87 Å²	87	67.4 Å²	67.4	90%	0.897	39%	0.393	S	S	*	.	S	Bend	trans	-62	2.2	145.9	0	0	0	0	0	112.6
138	S	36.4	Very low	51.4	Low	60 Å²	60	69.5 Å²	69.5	42%	0.42	40%	0.397	S	S	.	.	S	Bend	trans	-89.6	128.2	173.7	44.6	0	0	0	0	112.2	S136	S136-S138 WeakPolarHBondContact CB-O 3.42Å; S136-S138 WeakPolarHBondContact CB-OG 3.46Å; S136-S138 PolarHBondContact O-N 3.09Å; S136-S138 VanDerWaalsContact O-N 3.15Å
139	F	37.9	Very low	48.7	Very low	93 Å²	93	70.5 Å²	70.5	41%	0.408	40%	0.401	S	S	.	.			trans	-45.9	144	176.9	-90.2	-122	0	0	0	113.3	I141 V179	F139-I141 PolarHBondContact O-N 2.92Å; F139-V179 HydrophobicContact CD1-CG1 4.24Å; F139-V179 HydrophobicContact CE1-CG1 4.21Å
140	A	37.2	Very low	45.8	Very low	70 Å²	70	75.7 Å²	75.7	58%	0.579	42%	0.417	S	S	*	.			trans	-62.2	97.8	163.3	0	0	0	0	0	109	V142	A140-V142 PolarHBondContact O-N 3.17Å
141	I	36.6	Very low	43.2	Very low	91 Å²	91	76.8 Å²	76.8	47%	0.467	42%	0.424	S	S	.	.			trans	-83.4	105.9	173.1	-62.2	177.5	0	0	0	108	F139 V143	F139-I141 PolarHBondContact O-N 2.92Å; I141-V143 HydrophobicContact CG2-CG2 3.42Å; I141-V143 VanDerWaalsContact CG2-CG2 3.42Å
142	V	40	Very low	40.4	Very low	57 Å²	57	82 Å²	82	35%	0.345	45%	0.452	S	S	.	.			trans	-99.7	98.9	158.2	179.1	0	0	0	0	105.9	A140 P144 I182	A140-V142 PolarHBondContact O-N 3.17Å; V142-P144 WeakPolarHBondContact O-CD 3.39Å; V142-I182 HydrophobicContact CG2-CD1 4.02Å
143	V	35.4	Very low	38.4	Very low	73 Å²	73	90 Å²	90	44%	0.442	49%	0.487	S	S	.	.			trans	-92.4	114.5	162.9	-172.5	0	0	0	0	107.4	Y112 I141 L145	Y112-V143 WeakPolarHBondContact OH-CB 3.19Å; Y112-V143 PolarHBondContact OH-O 3.42Å; Y112-V143 VanDerWaalsContact OH-O 3.07Å; I141-V143 HydrophobicContact CG2-CG2 3.42Å; I141-V143 VanDerWaalsContact CG2-CG2 3.42Å; V143-L145 PolarHBondContact O-N 3.12Å
144	P	39.3	Very low	36.7	Very low	79 Å²	79	96.2 Å²	96.2	51%	0.513	51%	0.513	S	S	.	.			trans	-82.2	103.6	173	3.2	14.8	0	0	0	109	V142 L146	V142-P144 WeakPolarHBondContact O-CD 3.39Å; P144-L146 PolarHBondContact O-N 2.97Å
145	L	38.1	Very low	35.3	Very low	78 Å²	78	94 Å²	94	41%	0.408	50%	0.499	S	S	.	.			trans	-78.3	100	155.6	-164.8	77	0	0	0	106.7	V143	V143-L145 PolarHBondContact O-N 3.12Å
146	L	34.8	Very low	34	Very low	84 Å²	84	88.9 Å²	88.9	44%	0.44	49%	0.494	S	S	.	.	S	Bend	trans	45.3	131.8	166	-112.4	78.8	0	0	0	119.8	P144	P144-L146 PolarHBondContact O-N 2.97Å
147	M	33	Very low	33.2	Very low	94 Å²	94	90.6 Å²	90.6	46%	0.463	50%	0.5	S	S	.	.			trans	99.3	117.5	165	-52.5	-89.6	-154.1	0	0	116.6	F17 V149	F17-M147 HydrophobicContact CB-CB 4.15Å; M147-V149 PolarHBondContact O-N 3.41Å
148	R	28.1	Very low	32.6	Very low	108 Å²	108	91.6 Å²	91.6	41%	0.408	49%	0.492	S	S	.	.			trans	-74	104.9	177.9	-80.5	166.4	159.1	134.7	1.9	110.8	Y16 F17 L157	Y16-R148 CarbonylContact C-O 3.54Å; Y16-R148 WeakPolarHBondContact CA-O 3.46Å; F17-R148 PolarHBondContact N-O 2.94Å; R148-L157 HydrophobicContact CG-CD1 3.52Å; R148-L157 HydrophobicContact CG-CG 4.14Å
149	V	32.3	Very low	32.3	Very low	33 Å²	33	93 Å²	93	20%	0.2	50%	0.502	C	S	.	.			trans	-88.9	138.8	152.8	-171.1	0	0	0	0	103.2	Y16 F17 M147 V151	Y16-V149 HydrophobicContact CD1-CG1 4.22Å; Y16-V149 HydrophobicContact CE1-CG1 3.65Å; F17-V149 HydrophobicContact CB-CB 4.02Å; F17-V149 HydrophobicContact CB-CG2 3.55Å; F17-V149 HydrophobicContact CD1-CB 3.83Å; F17-V149 HydrophobicContact CD1-CG2 2.8Å; F17-V149 HydrophobicContact CD2-CG2 3.83Å; F17-V149 HydrophobicContact CE1-CB 4.37Å; F17-V149 HydrophobicContact CE1-CG2 3.09Å; F17-V149 HydrophobicContact CE2-CG2 4.14Å; F17-V149 HydrophobicContact CG-CB 4.07Å; F17-V149 HydrophobicContact CG-CG2 3.09Å; F17-V149 HydrophobicContact CZ-CG2 3.75Å; F17-V149 VanDerWaalsContact O-CA 3.26Å; F17-V149 WeakPolarHBondContact O-CA 3.36Å; F17-V149 WeakPolarHBondContact O-CB 3.37Å; F17-V149 WeakPolarHBondContact O-CG1 3.43Å; F17-V149 WeakPolarHBondContact O-CG2 3.43Å; M147-V149 PolarHBondContact O-N 3.41Å; V149-V151 HydrophobicContact CB-CG2 3.95Å; V149-V151 HydrophobicContact CG1-CG2 3.67Å; V149-V151 VanDerWaalsContact CG1-N 3.26Å; V149-V151 HydrophobicContact CG2-CG2 4.07Å; V149-V151 PolarHBondContact O-N 3.33Å
150	R	26.7	Very low	32.1	Very low	168 Å²	168	99 Å²	99	63%	0.634	52%	0.521	S	S	*	.			trans	-72.4	78.4	147.6	-108.1	169.6	161.3	156.2	-5.7	109.5	Y16	Y16-R150 HydrophobicContact CD2-CB 3.78Å; Y16-R150 HydrophobicContact CE2-CB 3.15Å; Y16-R150 HydrophobicContact CE2-CG 4.18Å; Y16-R150 PolarHBondContact OH-O 3.48Å
151	V	32	Very low	32	Very low	68 Å²	68	103.4 Å²	103.4	41%	0.412	53%	0.53	S	S	.	.			trans	-88.3	105.3	146.2	-173.1	0	0	0	0	101.9	V149 F153	V149-V151 HydrophobicContact CB-CG2 3.95Å; V149-V151 HydrophobicContact CG1-CG2 3.67Å; V149-V151 VanDerWaalsContact CG1-N 3.26Å; V149-V151 HydrophobicContact CG2-CG2 4.07Å; V149-V151 PolarHBondContact O-N 3.33Å; V151-F153 PolarHBondContact O-N 2.87Å
152	N	27.3	Very low	31.8	Very low	109 Å²	109	108 Å²	108	58%	0.583	55%	0.55	S	S	*	.	S	Bend	trans	-51.3	111.2	167.1	-74.1	-31.1	0	0	0	105.5
153	F	31.2	Very low	31.6	Very low	182 Å²	182	114.2 Å²	114.2	80%	0.798	57%	0.572	S	S	*	*	S	Bend		-125.1	123.1	52.3	-79.5	-106.8	0	0	0	114.8	V151	V151-F153 PolarHBondContact O-N 2.87Å
154	H	24.5	Very low	31.6	Very low	164 Å²	164	119 Å²	119	76%	0.759	59%	0.589	S	S	*	*			trans	7.9	113.9	164.9	-60.9	84	0	0	0	120.7
155	V	30.6	Very low	31.4	Very low	69 Å²	69	124.1 Å²	124.1	42%	0.418	61%	0.607	S	S	.	*			trans	-144	134.1	155.9	-177.8	0	0	0	0	111.2	I180 I182	V155-I180 HydrophobicContact CG1-CD1 4.12Å; V155-I182 HydrophobicContact CG2-CD1 3.65Å; V155-I182 HydrophobicContact CG2-CG1 4.08Å
156	A	26.7	Very low	31.2	Very low	69 Å²	69	125.3 Å²	125.3	57%	0.57	62%	0.619	S	S	*	*			trans	-99.2	149.1	-176.7	0	0	0	0	0	113.3	I180	A156-I180 HydrophobicContact CB-CD1 4.09Å
157	L	27.5	Very low	31	Very low	66 Å²	66	131 Å²	131	35%	0.346	64%	0.641	S	S	.	*			trans	-90.7	152.8	-177.2	-93.4	171.4	0	0	0	113	R148	R148-L157 HydrophobicContact CG-CD1 3.52Å; R148-L157 HydrophobicContact CG-CG 4.14Å
158	C	29	Very low	31.1	Very low	108 Å²	108	131.9 Å²	131.9	73%	0.73	66%	0.656	S	S	*	*			trans	-145.9	135.6	148.9	-155.1	0	0	0	0	112.9
159	C	29.5	Very low	31.6	Very low	91 Å²	91	135.7 Å²	135.7	62%	0.615	68%	0.679	S	S	*	*			trans	-117.2	151.3	174.6	-59.1	0	0	0	0	109.3
160	R	34.6	Very low	31.7	Very low	217 Å²	217	139.7 Å²	139.7	82%	0.819	71%	0.705	S	S	*	*				166.1	129.8	119.8	-101.1	-174.1	164	159.4	2.3	115.6
161	E	35.5	Very low	32.2	Very low	163 Å²	163	136.3 Å²	136.3	76%	0.762	71%	0.713	S	S	*	*			trans	49.2	122.4	131.5	-68.8	169	155.5	0	0	122.9
162	E	31.3	Very low	32.4	Very low	189 Å²	189	137.9 Å²	137.9	88%	0.883	73%	0.733	S	S	*	*			trans	-64.9	143.1	161.2	-65.2	178.5	137.8	0	0	112.6
163	K	35.5	Very low	32.9	Very low	186 Å²	186	143.5 Å²	143.5	81%	0.809	75%	0.746	S	S	*	*				-158.4	120.1	127.3	-75.6	-148.7	-179.9	178.2	0	112.1
164	Q	35.4	Very low	33.1	Very low	173 Å²	173	141.9 Å²	141.9	81%	0.808	75%	0.745	S	S	*	*			trans	64.9	95.1	135.7	-60.6	179.1	-8.8	0	0	121.3
165	Q	34.8	Very low	33.7	Very low	187 Å²	187	138 Å²	138	87%	0.874	74%	0.737	S	S	*	*				32.8	164.5	122.5	-79.5	-167.4	-7.6	0	0	122.8
166	P	34.7	Very low	33.8	Very low	103 Å²	103	146.2 Å²	146.2	67%	0.669	76%	0.76	S	S	*	*			cis	-143.1	147.4	-34.2	36.9	-18.7	0	0	0	115.1
167	F	30.1	Very low	33.9	Very low	205 Å²	205	148.5 Å²	148.5	90%	0.899	77%	0.771	S	S	*	*	S	Bend	trans	-166.9	134.4	140.4	-145.3	-104.1	0	0	0	111.7
168	S	35.3	Very low	34	Very low	112 Å²	112	149.7 Å²	149.7	78%	0.783	78%	0.782	S	S	*	*	S	Bend	trans	64.9	106.6	172.1	59.9	0	0	0	0	119.4
169	Q	40.3	Very low	34.1	Very low	188 Å²	188	149.8 Å²	149.8	88%	0.879	78%	0.779	S	S	*	*			trans	-80.9	174.4	178.3	-66	-179.4	-8.7	0	0	113.5
170	P	33.6	Very low	33.9	Very low	116 Å²	116	149 Å²	149	75%	0.753	77%	0.768	S	S	*	*			cis	-138.4	130.8	-49.4	36.9	-19.7	0	0	0	112.3
171	A	37.1	Very low	33.6	Very low	97 Å²	97	146.2 Å²	146.2	80%	0.802	76%	0.762	S	S	*	*			trans	-128.8	111.4	145.7	0	0	0	0	0	105.3	R173	A171-R173 PolarHBondContact O-N 3.26Å
172	A	36.9	Very low	33.3	Very low	101 Å²	101	142 Å²	142	84%	0.835	74%	0.744	S	S	*	*			trans	-53.5	106.5	-175.2	0	0	0	0	0	109.6	L174	A172-L174 PolarHBondContact O-N 2.92Å
173	R	36.3	Very low	33.1	Very low	228 Å²	228	140.4 Å²	140.4	86%	0.86	74%	0.736	S	S	*	*			trans	-75.1	96.3	-179.8	-150.5	179.3	-158.1	-177.6	6.3	106.8	A171 S175	A171-R173 PolarHBondContact O-N 3.26Å; R173-S175 PolarHBondContact O-N 3.21Å
174	L	35.9	Very low	33	Very low	148 Å²	148	135.7 Å²	135.7	78%	0.775	72%	0.723	S	S	*	*			trans	-67	77.1	162.9	-81.3	161.6	0	0	0	107.8	A172	A172-L174 PolarHBondContact O-N 2.92Å
175	S	37.2	Very low	32.7	Very low	83 Å²	83	131.7 Å²	131.7	58%	0.58	73%	0.729	S	S	*	*			trans	-89.7	118.5	178.9	66.1	0	0	0	0	110.7	R173	R173-S175 PolarHBondContact O-N 3.21Å
176	R	33	Very low	32.8	Very low	240 Å²	240	127 Å²	127	91%	0.906	71%	0.706	S	S	*	*			trans	76.6	68.9	154.5	-56.7	-179.9	178.6	-172	-0.4	117.3
177	C	29.5	Very low	32.8	Very low	118 Å²	118	127.5 Å²	127.5	80%	0.797	71%	0.709	S	S	*	*			trans	-100.2	120.7	149.2	-73.4	0	0	0	0	109.2	V179	C177-V179 PolarHBondContact O-N 3.12Å
178	P	29.7	Very low	33.1	Very low	91 Å²	91	127.5 Å²	127.5	59%	0.591	71%	0.708	S	S	*	*			trans	-67.2	117	169.7	25.4	-29	0	0	0	109.5	I180	P178-I180 PolarHBondContact O-N 2.64Å
179	V	29.7	Very low	33	Very low	110 Å²	110	130.5 Å²	130.5	67%	0.667	71%	0.71	S	S	*	*			trans	-71.8	114	173.1	178.1	0	0	0	0	108.2	F139 C177	F139-V179 HydrophobicContact CD1-CG1 4.24Å; F139-V179 HydrophobicContact CE1-CG1 4.21Å; C177-V179 PolarHBondContact O-N 3.12Å
180	I	26.3	Very low	32.6	Very low	74 Å²	74	129.1 Å²	129.1	38%	0.379	71%	0.709	S	S	.	*			trans	-103.3	113.4	170.4	-62.2	175.3	0	0	0	108.1	V155 A156 P178 I182	V155-I180 HydrophobicContact CG1-CD1 4.12Å; A156-I180 HydrophobicContact CB-CD1 4.09Å; P178-I180 PolarHBondContact O-N 2.64Å; I180-I182 PolarHBondContact O-N 3.38Å
181	K	27.4	Very low	32.4	Very low	158 Å²	158	130.6 Å²	130.6	69%	0.687	71%	0.707	S	S	*	*			trans	-73.6	116.8	174.5	-167.7	179	-177.5	-173.9	0	108.6
182	I	29.3	Very low	32	Very low	75 Å²	75	133.8 Å²	133.8	39%	0.385	71%	0.71	S	S	.	*			trans	-92.7	105.3	172.6	-56.4	179.3	0	0	0	107.9	V142 V155 I180 T184	V142-I182 HydrophobicContact CG2-CD1 4.02Å; V155-I182 HydrophobicContact CG2-CD1 3.65Å; V155-I182 HydrophobicContact CG2-CG1 4.08Å; I180-I182 PolarHBondContact O-N 3.38Å; I182-T184 PolarHBondContact O-N 3.12Å
183	E	27.6	Very low	31.4	Very low	155 Å²	155	136.5 Å²	136.5	72%	0.724	71%	0.71	S	S	*	*			trans	-75.7	109.1	166	-70.3	-172.7	172.7	0	0	108.3
184	T	33.4	Very low	30.9	Very low	87 Å²	87	131 Å²	131	53%	0.534	71%	0.707	S	S	.	*			trans	-75.2	134.2	168.1	36.1	0	0	0	0	107.5	I182 F186	I182-T184 PolarHBondContact O-N 3.12Å; T184-F186 HydrophobicContact CG2-CE2 3.9Å; T184-F186 PolarHBondContact O-N 2.78Å; T184-F186 WeakPolarHBondContact OG1-CD2 3.44Å; T184-F186 WeakPolarHBondContact OG1-CE2 3.42Å
185	G	29	Very low	30.3	Very low	90 Å²	90	129.2 Å²	129.2	93%	0.928	70%	0.702	S	S	*	*			trans	-68.9	50.4	-178.6	0	0	0	0	0	113.9
186	F	36.3	Very low	29.6	Very low	89 Å²	89	128 Å²	128	39%	0.39	70%	0.696	S	S	.	*			trans	-74.6	143.4	170.3	-69	-66.9	0	0	0	109.8	Y69 T184 K188	Y69-F186 HydrophobicContact CD1-CE1 4.38Å; Y69-F186 HydrophobicContact CD1-CE2 4.29Å; Y69-F186 AromaticContact CD1-CZ 3.64Å; Y69-F186 HydrophobicContact CD1-CZ 3.64Å; Y69-F186 HydrophobicContact CE1-CD2 4.36Å; Y69-F186 AromaticContact CE1-CE1 3.72Å; Y69-F186 HydrophobicContact CE1-CE1 3.72Å; Y69-F186 AromaticContact CE1-CE2 3.34Å; Y69-F186 HydrophobicContact CE1-CE2 3.34Å; Y69-F186 AromaticContact CE1-CZ 2.98Å; Y69-F186 HydrophobicContact CE1-CZ 2.98Å; Y69-F186 AromaticContact CZ-CE1 3.85Å; Y69-F186 AromaticContact CZ-CE2 3.89Å; Y69-F186 AromaticContact CZ-CZ 3.56Å; T184-F186 HydrophobicContact CG2-CE2 3.9Å; T184-F186 PolarHBondContact O-N 2.78Å; T184-F186 WeakPolarHBondContact OG1-CD2 3.44Å; T184-F186 WeakPolarHBondContact OG1-CE2 3.42Å; F186-K188 PolarHBondContact O-N 3.08Å
187	P	34.6	Very low	29.2	Very low	113 Å²	113	122 Å²	122	73%	0.734	69%	0.686	S	S	*	*			trans	-54.7	126	172.8	21.3	-30.4	0	0	0	110	Q189	P187-Q189 PolarHBondContact O-N 3.43Å
188	K	36.5	Very low	28.7	Very low	204 Å²	204	123.8 Å²	123.8	89%	0.887	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	14.3	-168.5	-77.2	-175.1	172.9	-179.3	0	116.4	F186	F186-K188 PolarHBondContact O-N 3.08Å
189	Q	33.3	Very low	28.6	Very low	175 Å²	175	129.4 Å²	129.4	82%	0.818	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-14.5	-165.9	-86.9	176.6	-23.6	0	0	116.4	P187	P187-Q189 PolarHBondContact O-N 3.43Å
190	D	31.3	Very low	28.5	Very low	159 Å²	159	130.4 Å²	130.4	85%	0.85	71%	0.712	S	S	*	*	S	Bend	trans	-135.4	18.7	-169.4	-73.8	-39.6	0	0	0	117.6
191	M	30.3	Very low	28.6	Very low	147 Å²	147	133.4 Å²	133.4	72%	0.724	73%	0.73	S	S	*	*			trans	-127.9	91.6	177.3	-115.2	178.4	105.1	0	0	113.2	P133	P133-M191 HydrophobicContact CB-SD 4.23Å
192	L	28.7	Very low	28.7	Very low	164 Å²	164	132 Å²	132	86%	0.859	73%	0.732	S	S	*	*			trans	-54.1	138	160.6	-90.9	158.9	0	0	0	110.7
193	L	24.4	Very low	28.6	Very low	158 Å²	158	135.4 Å²	135.4	83%	0.827	75%	0.753	S	S	*	*			trans	-46.1	134.7	175.6	-71.2	80.7	0	0	0	112.4
194	S	25.8	Very low	28.7	Very low	114 Å²	114	134.1 Å²	134.1	80%	0.797	75%	0.754	S	S	*	*			trans	-149.2	118.9	139.5	-168.3	0	0	0	0	110.9
195	T	23.2	Very low	28.4	Very low	110 Å²	110	137.3 Å²	137.3	68%	0.675	77%	0.769	S	S	*	*			trans	-88.7	146.8	167.1	-56.8	0	0	0	0	107.4
196	A	22.8	Very low	28.4	Very low	56 Å²	56	140.6 Å²	140.6	46%	0.463	76%	0.758	S	S	.	*			trans	116.8	148.3	146.6	0	0	0	0	0	118.9
197	V	23.5	Very low	27.7	Very low	114 Å²	114	144.6 Å²	144.6	69%	0.691	79%	0.786	S	S	*	*			trans	96.3	97.6	152.6	-164.5	0	0	0	0	115.6
198	L	20.6	Very low	27.2	Very low	157 Å²	157	147.3 Å²	147.3	82%	0.822	79%	0.79	S	S	*	*				72.5	97.5	83.8	-108.7	130.4	0	0	0	113.7
199	I	25.7	Very low	26.3	Very low	209 Å²	209	142.1 Å²	142.1	100%	1.072	78%	0.782	S	S	*	*				-142.4	0	113.2	-49.4	-175.5	0	0	0	107

Retrieved 199 of 199 residues in 380 ms (Link to these results)

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