A0A3Q0KMU1_SCHMA Loading...

CS domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KMU1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 137 aa.

						>A0A3Q0KMU1_SCHMA|A0A3Q0KMU1
MAYSSRDVNFIIPNYALDTSLATNKLRITIQIQGLKSSTILEFHKKLIPKLYKKASNGEIVFHLNNDGFLFEFRGLNNLADCNYQLHVNKLPGILDNKRSQLIVRDDAVEIILMKTDDSSWSSVMTEGLHIVENEKK
					

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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	36.9	Very low	61.1	Low	235 Å²	235	129.9 Å²	129.9	100%	1.158	69%	0.685	S	S	*	*				0	116.8	0	-69.4	179.8	-178.7	0	0	106.8	Y3	M1-Y3 PolarHBondContact O-N 3.49Å
2	A	39.6	Very low	63.9	Low	105 Å²	105	126.4 Å²	126.4	87%	0.868	67%	0.666	S	S	*	*			trans	-74.3	121.2	176.8	0	0	0	0	0	107.9	S4	A2-S4 PolarHBondContact O-N 3.02Å; A2-S4 VanDerWaalsContact O-N 3.15Å
3	Y	44.4	Very low	66.3	Low	199 Å²	199	117 Å²	117	78%	0.78	62%	0.617	S	S	*	*			trans	-62.7	115.8	169.9	-75.5	-92.1	0	0	0	106.9	M1 S5	M1-Y3 PolarHBondContact O-N 3.49Å; Y3-S5 PolarHBondContact O-N 3.17Å; Y3-S5 VanDerWaalsContact O-N 3.09Å
4	S	46.2	Very low	68.5	Low	89 Å²	89	118.4 Å²	118.4	62%	0.622	62%	0.624	S	S	*	*			trans	-60.7	118.7	167.2	69.6	0	0	0	0	106.2	A2 R6	A2-S4 PolarHBondContact O-N 3.02Å; A2-S4 VanDerWaalsContact O-N 3.15Å; S4-R6 PolarHBondContact O-N 2.98Å
5	S	49.3	Very low	70.4	Confident	111 Å²	111	115.3 Å²	115.3	78%	0.776	60%	0.602	S	S	*	*			trans	-65.4	68.7	163.2	56.7	0	0	0	0	108	Y3 D7	Y3-S5 PolarHBondContact O-N 3.17Å; Y3-S5 VanDerWaalsContact O-N 3.09Å; S5-D7 PolarHBondContact O-N 3.17Å
6	R	52.7	Low	72.1	Confident	205 Å²	205	111.6 Å²	111.6	77%	0.774	59%	0.593	S	S	*	*			trans	-66	124.5	154.5	-76.7	-176.5	-178	-176	0	103.8	S4 V8	S4-R6 PolarHBondContact O-N 2.98Å; R6-V8 VanDerWaalsContact C-N 3.26Å; R6-V8 WeakPolarHBondContact O-CG2 3.37Å; R6-V8 PolarHBondContact O-N 3.17Å
7	D	63.1	Low	73.6	Confident	149 Å²	149	107.5 Å²	107.5	80%	0.797	57%	0.571	S	S	*	*			trans	-55.7	98.4	170.3	-62	-47.8	0	0	0	107.2	S5 N9	S5-D7 PolarHBondContact O-N 3.17Å; D7-N9 PolarHBondContact O-N 3.12Å; D7-N9 VanDerWaalsContact O-N 3.17Å
8	V	68.9	Low	74.9	Confident	50 Å²	50	103.9 Å²	103.9	30%	0.303	55%	0.552	S	S	.	*			trans	-75.8	108.9	-179.6	178.2	0	0	0	0	105.9	R6 F10 N83	R6-V8 VanDerWaalsContact C-N 3.26Å; R6-V8 WeakPolarHBondContact O-CG2 3.37Å; R6-V8 PolarHBondContact O-N 3.17Å; V8-F10 HydrophobicContact CB-CE2 4.15Å; V8-F10 HydrophobicContact CB-CZ 4.31Å; V8-F10 HydrophobicContact CG1-CD1 4.28Å; V8-F10 HydrophobicContact CG1-CD2 4.39Å; V8-F10 HydrophobicContact CG1-CE1 4.02Å; V8-F10 HydrophobicContact CG1-CE2 4.12Å; V8-F10 HydrophobicContact CG1-CG 4.48Å; V8-F10 HydrophobicContact CG1-CZ 3.94Å; V8-F10 WeakPolarHBondContact O-CD2 3.47Å; V8-F10 PolarHBondContact O-N 3.34Å; V8-N83 HydrophobicContact CG1-CB 3.5Å
9	N	85.7	Confident	75.8	Confident	135 Å²	135	101.2 Å²	101.2	72%	0.722	54%	0.54	S	S	*	.			trans	-69.9	102.8	172.1	-75.5	-38.7	0	0	0	109	D7	D7-N9 PolarHBondContact O-N 3.12Å; D7-N9 VanDerWaalsContact O-N 3.17Å
10	F	91.8	Very high	76.7	Confident	48 Å²	48	100.9 Å²	100.9	21%	0.211	55%	0.546	C	S	.	.			trans	-80.9	140.6	174.6	-72.9	-71.4	0	0	0	112	V8 E72 R74 N83 Y84 Q85	V8-F10 HydrophobicContact CB-CE2 4.15Å; V8-F10 HydrophobicContact CB-CZ 4.31Å; V8-F10 HydrophobicContact CG1-CD1 4.28Å; V8-F10 HydrophobicContact CG1-CD2 4.39Å; V8-F10 HydrophobicContact CG1-CE1 4.02Å; V8-F10 HydrophobicContact CG1-CE2 4.12Å; V8-F10 HydrophobicContact CG1-CG 4.48Å; V8-F10 HydrophobicContact CG1-CZ 3.94Å; V8-F10 WeakPolarHBondContact O-CD2 3.47Å; V8-F10 PolarHBondContact O-N 3.34Å; F10-E72 HydrophobicContact CE1-CB 4.21Å; F10-E72 HydrophobicContact CZ-CB 4.38Å; F10-R74 HydrophobicContact CE1-CG 4.17Å; F10-R74 HydrophobicContact CZ-CG 4.28Å; F10-N83 HydrophobicContact CD1-CB 3.98Å; F10-N83 HydrophobicContact CE1-CB 4.23Å; F10-Y84 WeakPolarHBondContact CD1-O 3.43Å; F10-Q85 HydrophobicContact CB-CB 3.64Å; F10-Q85 HydrophobicContact CD1-CB 3.77Å; F10-Q85 HydrophobicContact CD2-CB 4.39Å; F10-Q85 HydrophobicContact CE1-CB 4.49Å; F10-Q85 HydrophobicContact CG-CB 3.69Å
11	I	93.6	Very high	77.2	Confident	103 Å²	103	99.3 Å²	99.3	53%	0.528	54%	0.537	S	S	.	.	B	Isolated β-bridge	trans	-109.7	142.4	173.9	-59	170.7	0	0	0	108.5	P13 N83 Y84 Q85	I11-P13 WeakPolarHBondContact O-CD 3.42Å; I11-N83 PolarHBondContact N-O 2.84Å; I11-Y84 HydrophobicContact CB-CD1 4.16Å; I11-Y84 HydrophobicContact CB-CE1 4.42Å; I11-Y84 CarbonylContact O-C 3.32Å; I11-Y84 WeakPolarHBondContact O-CA 3.32Å; I11-Q85 PolarHBondContact O-N 2.74Å
12	I	94.6	Very high	79.9	Confident	88 Å²	88	89.8 Å²	89.8	45%	0.451	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-68.8	120.3	170.2	-63.2	168.7	0	0	0	107.7	L86 I131	I12-L86 HydrophobicContact CG2-CD1 4.4Å; I12-I131 HydrophobicContact CD1-CD1 4.44Å; I12-I131 HydrophobicContact CD1-CG2 3.87Å; I12-I131 HydrophobicContact CG1-CG2 4.29Å; I12-I131 HydrophobicContact CG2-CD1 3.88Å
13	P	95.5	Very high	82.5	Confident	4 Å²	4	89 Å²	89	3%	0.026	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-73.7	160	-178	31.5	-35	0	0	0	111.3	I11 Y15 I30 Y84 Q85 L86	I11-P13 WeakPolarHBondContact O-CD 3.42Å; P13-Y15 WeakPolarHBondContact O-CD1 3.41Å; P13-Y15 PolarHBondContact O-N 3.17Å; P13-I30 HydrophobicContact CB-CG2 3.45Å; P13-I30 VanDerWaalsContact CB-CG2 3.45Å; P13-I30 HydrophobicContact CG-CG2 3.5Å; P13-I30 VanDerWaalsContact CG-CG2 3.5Å; P13-Y84 HydrophobicContact CB-CD1 3.84Å; P13-Y84 HydrophobicContact CB-CG 3.85Å; P13-Q85 VanDerWaalsContact CD-O 3.27Å; P13-Q85 WeakPolarHBondContact CD-O 3.27Å; P13-L86 HydrophobicContact CG-CB 4.26Å
14	N	96.2	Very high	85	Confident	136 Å²	136	80.3 Å²	80.3	73%	0.727	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-67.6	128	165.7	-70.1	-30.4	0	0	0	109.5	Q31	N14-Q31 PolarHBondContact O-N 3.4Å
15	Y	97.4	Very high	87.5	Confident	73 Å²	73	79.2 Å²	79.2	29%	0.286	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	156	177.3	66.7	-90.6	0	0	0	112.3	P13 L17 I28 T29 L86 L129 I131	P13-Y15 WeakPolarHBondContact O-CD1 3.41Å; P13-Y15 PolarHBondContact O-N 3.17Å; Y15-L17 HydrophobicContact CD2-CD2 3.87Å; Y15-L17 HydrophobicContact CD2-CG 4.25Å; Y15-L17 HydrophobicContact CE2-CD1 4.46Å; Y15-L17 HydrophobicContact CE2-CD2 3.97Å; Y15-L17 HydrophobicContact CE2-CG 4.15Å; Y15-I28 HydrophobicContact CD2-CG2 4.29Å; Y15-I28 HydrophobicContact CG-CG2 4.46Å; Y15-T29 CarbonylContact C-O 3.59Å; Y15-T29 WeakPolarHBondContact CA-O 3.29Å; Y15-L86 HydrophobicContact CD1-CD1 4.23Å; Y15-L86 HydrophobicContact CD1-CD2 4.25Å; Y15-L86 HydrophobicContact CE1-CD1 4.13Å; Y15-L86 HydrophobicContact CG-CD2 4.38Å; Y15-L129 HydrophobicContact CD2-CD1 3.95Å; Y15-L129 HydrophobicContact CE2-CD1 3.55Å; Y15-L129 HydrophobicContact CE2-CG 4.01Å; Y15-I131 HydrophobicContact CE1-CD1 3.83Å
16	A	97.7	Very high	89.8	Confident	56 Å²	56	73.9 Å²	73.9	46%	0.463	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.9	172.3	0	0	0	0	0	110.4	I28 T29	A16-I28 CarbonylContact O-C 3.49Å; A16-I28 WeakPolarHBondContact O-CA 3.46Å; A16-T29 PolarHBondContact N-O 2.91Å; A16-T29 PolarHBondContact O-N 2.94Å
17	L	97.9	Very high	91.9	Very high	41 Å²	41	67 Å²	67	22%	0.215	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	139.6	179.3	-55.2	-179.7	0	0	0	110.1	Y15 L26 R27 I28 V124 M125 L129	Y15-L17 HydrophobicContact CD2-CD2 3.87Å; Y15-L17 HydrophobicContact CD2-CG 4.25Å; Y15-L17 HydrophobicContact CE2-CD1 4.46Å; Y15-L17 HydrophobicContact CE2-CD2 3.97Å; Y15-L17 HydrophobicContact CE2-CG 4.15Å; L17-L26 HydrophobicContact CB-CD1 4.21Å; L17-L26 HydrophobicContact CD2-CD1 4.44Å; L17-R27 CarbonylContact C-O 3.59Å; L17-R27 WeakPolarHBondContact CA-O 3.18Å; L17-I28 HydrophobicContact CD2-CB 4.37Å; L17-I28 HydrophobicContact CD2-CG1 3.8Å; L17-I28 HydrophobicContact CD2-CG2 4.18Å; L17-V124 HydrophobicContact CD1-CG1 3.99Å; L17-M125 HydrophobicContact CB-CE 3.95Å; L17-M125 HydrophobicContact CB-SD 3.62Å; L17-M125 HydrophobicContact CD1-SD 4.34Å; L17-L129 HydrophobicContact CD1-CG 4.34Å; L17-L129 HydrophobicContact CD2-CD1 3.9Å; L17-L129 HydrophobicContact CD2-CD2 4.26Å; L17-L129 HydrophobicContact CD2-CG 4.03Å
18	D	96.5	Very high	93.6	Very high	43 Å²	43	60 Å²	60	23%	0.23	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	124.1	-179.1	169.2	26.1	0	0	0	110.7	S20 R27	D18-S20 VanDerWaalsContact CG-OG 3.29Å; D18-S20 WeakPolarHBondContact OD1-CB 3.48Å; D18-S20 PolarHBondContact OD1-N 2.89Å; D18-S20 PolarHBondContact OD1-OG 3.01Å; D18-S20 PolarHBondContact OD2-OG 2.89Å; D18-R27 HydrophobicContact CB-CB 4.11Å; D18-R27 PolarHBondContact N-O 2.98Å; D18-R27 PolarHBondContact O-N 2.84Å; D18-R27 IonicContact OD2-CZ 3.68Å; D18-R27 IonicContact OD2-NH1 2.66Å; D18-R27 PolarHBondContact OD2-NH1 2.85Å
19	T	93.1	Very high	95	Very high	53 Å²	53	58.7 Å²	58.7	33%	0.325	32%	0.323	S	S	.	.			trans	-112.8	13.6	177.4	58.6	0	0	0	0	112.8	L21 L26 W121 M125	T19-L21 PolarHBondContact O-N 2.82Å; T19-L26 HydrophobicContact CG2-CD1 3.8Å; T19-W121 HydrophobicContact CG2-CB 3.72Å; T19-W121 HydrophobicContact CG2-CG 4.5Å; T19-M125 HydrophobicContact CG2-CG 3.62Å; T19-M125 HydrophobicContact CG2-SD 3.59Å; T19-M125 VanDerWaalsContact CG2-SD 3.59Å
20	S	92.5	Very high	95.6	Very high	94 Å²	94	52.3 Å²	52.3	66%	0.657	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.8	-178.6	64.4	0	0	0	0	113.8	D18	D18-S20 VanDerWaalsContact CG-OG 3.29Å; D18-S20 WeakPolarHBondContact OD1-CB 3.48Å; D18-S20 PolarHBondContact OD1-N 2.89Å; D18-S20 PolarHBondContact OD1-OG 3.01Å; D18-S20 PolarHBondContact OD2-OG 2.89Å
21	L	88.7	Confident	95.9	Very high	68 Å²	68	54.9 Å²	54.9	36%	0.356	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-39.2	-175.5	-64.2	179.9	0	0	0	113.9	T19 K25 R27 I112	T19-L21 PolarHBondContact O-N 2.82Å; L21-K25 HydrophobicContact CB-CB 3.98Å; L21-K25 HydrophobicContact CB-CD 3.96Å; L21-R27 HydrophobicContact CD1-CB 4.06Å; L21-I112 HydrophobicContact CD1-CD1 4.1Å
22	A	93	Very high	96.1	Very high	36 Å²	36	50 Å²	50	30%	0.298	28%	0.277	S	S	.	.			trans	179.5	161.2	175.7	0	0	0	0	0	109.3	N24 K25	A22-N24 VanDerWaalsContact C-N 3.26Å; A22-N24 PolarHBondContact O-N 3.41Å; A22-K25 HydrophobicContact CB-CB 4.15Å; A22-K25 HydrophobicContact CB-CD 3.88Å; A22-K25 HydrophobicContact CB-CG 3.92Å; A22-K25 PolarHBondContact O-N 3.5Å
23	T	94.2	Very high	96.2	Very high	89 Å²	89	54.2 Å²	54.2	55%	0.546	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-41.2	178.6	-52.3	0	0	0	0	113.6	D118 S120	T23-D118 WeakPolarHBondContact CG2-O 3.39Å; T23-S120 WeakPolarHBondContact O-CA 3.48Å
24	N	96.6	Very high	96.3	Very high	15 Å²	15	55.1 Å²	55.1	8%	0.08	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	12.3	-178.6	65.7	-12.7	0	0	0	114.5	A22 K115 D117 D118 W121	A22-N24 VanDerWaalsContact C-N 3.26Å; A22-N24 PolarHBondContact O-N 3.41Å; N24-K115 HydrophobicContact CB-CB 4.38Å; N24-K115 PolarHBondContact O-N 2.8Å; N24-K115 VanDerWaalsContact O-N 3.14Å; N24-D117 VanDerWaalsContact CB-O 3.27Å; N24-D117 WeakPolarHBondContact CB-O 3.27Å; N24-D117 PolarHBondContact ND2-O 2.92Å; N24-D117 VanDerWaalsContact ND2-O 3.12Å; N24-D118 PolarHBondContact ND2-OD1 2.66Å; N24-W121 VanDerWaalsContact C-CD1 3.5Å; N24-W121 PolarHBondContact O-NE1 2.94Å
25	K	97.6	Very high	96.3	Very high	66 Å²	66	48.7 Å²	48.7	29%	0.287	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.4	177.7	-69.1	-177.1	-178.6	173.6	0	111.2	L21 A22 L113 M114 W121	L21-K25 HydrophobicContact CB-CB 3.98Å; L21-K25 HydrophobicContact CB-CD 3.96Å; A22-K25 HydrophobicContact CB-CB 4.15Å; A22-K25 HydrophobicContact CB-CD 3.88Å; A22-K25 HydrophobicContact CB-CG 3.92Å; A22-K25 PolarHBondContact O-N 3.5Å; K25-L113 WeakPolarHBondContact CA-O 3.32Å; K25-M114 HydrophobicContact CD-CE 4.19Å; K25-M114 HydrophobicContact CD-SD 4.36Å; K25-M114 VanDerWaalsContact CE-SD 3.54Å; K25-M114 HydrophobicContact CG-CE 3.87Å; K25-M114 HydrophobicContact CG-CG 4.04Å; K25-M114 HydrophobicContact CG-SD 4.25Å; K25-W121 VanDerWaalsContact C-CD1 3.44Å
26	L	98	Very high	96.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.1	169.2	177.8	66	0	0	0	108.5	L17 T19 I28 L113 W121 V124 M125 L129	L17-L26 HydrophobicContact CB-CD1 4.21Å; L17-L26 HydrophobicContact CD2-CD1 4.44Å; T19-L26 HydrophobicContact CG2-CD1 3.8Å; L26-I28 HydrophobicContact CD2-CD1 4.19Å; L26-I28 HydrophobicContact CD2-CG1 4.09Å; L26-I28 HydrophobicContact CG-CG1 4.05Å; L26-L113 HydrophobicContact CB-CB 4.48Å; L26-L113 PolarHBondContact N-O 2.92Å; L26-L113 PolarHBondContact O-N 2.76Å; L26-W121 HydrophobicContact CB-CD2 3.71Å; L26-W121 HydrophobicContact CB-CE3 4.25Å; L26-W121 HydrophobicContact CB-CG 3.86Å; L26-W121 HydrophobicContact CB-CZ2 4.29Å; L26-W121 HydrophobicContact CD2-CD2 4.22Å; L26-W121 HydrophobicContact CD2-CE3 3.91Å; L26-W121 HydrophobicContact CD2-CZ3 4.19Å; L26-V124 HydrophobicContact CD2-CG1 3.88Å; L26-M125 HydrophobicContact CD1-SD 4.05Å; L26-L129 HydrophobicContact CD2-CD2 4.42Å
27	R	98.2	Very high	96.2	Very high	61 Å²	61	49.5 Å²	49.5	23%	0.23	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131	165.6	171.7	-174.9	-74	147.6	-11.7	108.5	L17 D18 L21 E110 I111 I112	L17-R27 CarbonylContact C-O 3.59Å; L17-R27 WeakPolarHBondContact CA-O 3.18Å; D18-R27 HydrophobicContact CB-CB 4.11Å; D18-R27 PolarHBondContact N-O 2.98Å; D18-R27 PolarHBondContact O-N 2.84Å; D18-R27 IonicContact OD2-CZ 3.68Å; D18-R27 IonicContact OD2-NH1 2.66Å; D18-R27 PolarHBondContact OD2-NH1 2.85Å; L21-R27 HydrophobicContact CD1-CB 4.06Å; R27-E110 IonicContact NE-OE2 3.92Å; R27-I111 CarbonylContact C-O 3.55Å; R27-I111 WeakPolarHBondContact CA-O 3.15Å; R27-I112 HydrophobicContact CB-CD1 3.63Å; R27-I112 HydrophobicContact CG-CD1 3.63Å
28	I	98.6	Very high	96	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.3	171.7	-53.2	166.6	0	0	0	106.5	Y15 A16 L17 L26 I30 F69 L86 E110 I111 L113 L129	Y15-I28 HydrophobicContact CD2-CG2 4.29Å; Y15-I28 HydrophobicContact CG-CG2 4.46Å; A16-I28 CarbonylContact O-C 3.49Å; A16-I28 WeakPolarHBondContact O-CA 3.46Å; L17-I28 HydrophobicContact CD2-CB 4.37Å; L17-I28 HydrophobicContact CD2-CG1 3.8Å; L17-I28 HydrophobicContact CD2-CG2 4.18Å; L26-I28 HydrophobicContact CD2-CD1 4.19Å; L26-I28 HydrophobicContact CD2-CG1 4.09Å; L26-I28 HydrophobicContact CG-CG1 4.05Å; I28-I30 HydrophobicContact CG2-CG1 4.24Å; I28-F69 HydrophobicContact CD1-CE1 3.46Å; I28-F69 VanDerWaalsContact CD1-CE1 3.46Å; I28-F69 HydrophobicContact CD1-CZ 3.55Å; I28-L86 HydrophobicContact CG2-CD2 4.29Å; I28-E110 CarbonylContact O-C 3.48Å; I28-E110 WeakPolarHBondContact O-CA 3.11Å; I28-I111 HydrophobicContact CB-CB 4.26Å; I28-I111 PolarHBondContact N-O 2.62Å; I28-I111 PolarHBondContact O-N 2.79Å; I28-L113 HydrophobicContact CD1-CD1 3.88Å; I28-L113 HydrophobicContact CD1-CG 4.36Å; I28-L129 HydrophobicContact CD1-CD1 4.19Å; I28-L129 HydrophobicContact CD1-CD2 4.42Å; I28-L129 HydrophobicContact CG2-CD1 4.44Å
29	T	98.4	Very high	95.8	Very high	24 Å²	24	52 Å²	52	15%	0.147	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.2	177.6	-57.7	0	0	0	0	109	Y15 A16 A108 E110	Y15-T29 CarbonylContact C-O 3.59Å; Y15-T29 WeakPolarHBondContact CA-O 3.29Å; A16-T29 PolarHBondContact N-O 2.91Å; A16-T29 PolarHBondContact O-N 2.94Å; T29-A108 HydrophobicContact CG2-CB 4.17Å; T29-E110 HydrophobicContact CG2-CG 4.47Å
30	I	98.5	Very high	95.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.6	178.7	-54.8	178.8	0	0	0	108.4	P13 I28 I32 F71 L86 A108 V109 I111	P13-I30 HydrophobicContact CB-CG2 3.45Å; P13-I30 VanDerWaalsContact CB-CG2 3.45Å; P13-I30 HydrophobicContact CG-CG2 3.5Å; P13-I30 VanDerWaalsContact CG-CG2 3.5Å; I28-I30 HydrophobicContact CG2-CG1 4.24Å; I30-I32 HydrophobicContact CG2-CD1 4.45Å; I30-I32 HydrophobicContact CG2-CG1 4.24Å; I30-F71 HydrophobicContact CD1-CB 4.44Å; I30-F71 HydrophobicContact CD1-CD1 3.42Å; I30-F71 VanDerWaalsContact CD1-CD1 3.42Å; I30-F71 HydrophobicContact CD1-CD2 4.25Å; I30-F71 HydrophobicContact CD1-CE1 3.58Å; I30-F71 HydrophobicContact CD1-CE2 4.38Å; I30-F71 HydrophobicContact CD1-CG 3.77Å; I30-F71 HydrophobicContact CD1-CZ 4.05Å; I30-F71 HydrophobicContact CG2-CE1 4.08Å; I30-L86 HydrophobicContact CD1-CD2 3.95Å; I30-L86 HydrophobicContact CG1-CD2 4.4Å; I30-A108 CarbonylContact O-C 3.56Å; I30-A108 VanDerWaalsContact O-CA 3.28Å; I30-A108 WeakPolarHBondContact O-CA 3.14Å; I30-V109 HydrophobicContact CB-CB 4.46Å; I30-V109 PolarHBondContact N-O 2.91Å; I30-V109 PolarHBondContact O-N 3.04Å; I30-I111 HydrophobicContact CD1-CD1 3.85Å
31	Q	97.8	Very high	95.1	Very high	103 Å²	103	51.5 Å²	51.5	48%	0.481	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	126.1	-179	-65.5	-63.7	-34.2	0	0	110.4	N14 D107	N14-Q31 PolarHBondContact O-N 3.4Å; Q31-D107 PolarHBondContact OE1-O 3.21Å
32	I	97.4	Very high	94.7	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.274	C	S	.	.			trans	-136.7	83.5	178.2	-55.3	-178.4	0	0	0	107.3	I30 G34 L35 F71 F73 L79 Y84 D107 V109	I30-I32 HydrophobicContact CG2-CD1 4.45Å; I30-I32 HydrophobicContact CG2-CG1 4.24Å; I32-G34 PolarHBondContact O-N 2.77Å; I32-L35 HydrophobicContact CB-CB 4.03Å; I32-L35 HydrophobicContact CB-CD2 4.25Å; I32-L35 HydrophobicContact CD1-CD2 4.46Å; I32-L35 HydrophobicContact CG2-CB 3.9Å; I32-L35 WeakPolarHBondContact O-CB 3.37Å; I32-L35 PolarHBondContact O-N 3.09Å; I32-F71 HydrophobicContact CD1-CZ 4.05Å; I32-F73 HydrophobicContact CD1-CB 4Å; I32-F73 HydrophobicContact CD1-CD1 4.06Å; I32-F73 HydrophobicContact CD1-CD2 3.99Å; I32-F73 HydrophobicContact CD1-CE2 4.49Å; I32-F73 HydrophobicContact CD1-CG 3.75Å; I32-F73 HydrophobicContact CG2-CD1 4.26Å; I32-F73 HydrophobicContact CG2-CE1 3.82Å; I32-F73 HydrophobicContact CG2-CZ 3.99Å; I32-L79 HydrophobicContact CG2-CD1 4.34Å; I32-Y84 HydrophobicContact CD1-CD2 4.17Å; I32-Y84 HydrophobicContact CG1-CD2 4.14Å; I32-Y84 HydrophobicContact CG1-CE2 4.27Å; I32-Y84 HydrophobicContact CG2-CD2 4.49Å; I32-Y84 HydrophobicContact CG2-CE2 4.08Å; I32-D107 CarbonylContact C-O 3.54Å; I32-D107 VanDerWaalsContact C-O 3.32Å; I32-D107 PolarHBondContact N-O 2.9Å; I32-D107 CarbonylContact O-C 3.45Å; I32-D107 VanDerWaalsContact O-CA 3.29Å; I32-D107 WeakPolarHBondContact O-CA 3.33Å; I32-V109 HydrophobicContact CD1-CG2 4.08Å
33	Q	96.4	Very high	93.7	Very high	175 Å²	175	57.6 Å²	57.6	82%	0.818	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	131.2	-177.4	-172.8	177	5.9	0	0	111.3	L35 L79	Q33-L35 VanDerWaalsContact C-N 3.33Å; Q33-L79 WeakPolarHBondContact O-CD2 3.33Å
34	G	97	Very high	92.1	Very high	23 Å²	23	57.5 Å²	57.5	24%	0.237	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	85	-0.1	-176.6	0	0	0	0	0	114.3	I32 K36 N57 D107	I32-G34 PolarHBondContact O-N 2.77Å; G34-K36 PolarHBondContact O-N 3.15Å; G34-N57 PolarHBondContact O-ND2 2.94Å; G34-D107 WeakPolarHBondContact CA-OD1 3.35Å; G34-D107 PolarHBondContact N-OD1 2.74Å
35	L	97.9	Very high	90.5	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.005	33%	0.331	C	S	.	.			trans	-61.7	130.1	171.6	178.7	63.9	0	0	0	109.7	I32 Q33 A55 F73 V104 R105 D106 D107 V109	I32-L35 HydrophobicContact CB-CB 4.03Å; I32-L35 HydrophobicContact CB-CD2 4.25Å; I32-L35 HydrophobicContact CD1-CD2 4.46Å; I32-L35 HydrophobicContact CG2-CB 3.9Å; I32-L35 WeakPolarHBondContact O-CB 3.37Å; I32-L35 PolarHBondContact O-N 3.09Å; Q33-L35 VanDerWaalsContact C-N 3.33Å; L35-A55 HydrophobicContact CD1-CB 3.71Å; L35-F73 HydrophobicContact CD1-CE2 3.67Å; L35-F73 HydrophobicContact CD1-CZ 4.08Å; L35-V104 HydrophobicContact CD2-CG1 4.08Å; L35-R105 WeakPolarHBondContact CD2-O 3.4Å; L35-D106 WeakPolarHBondContact O-CA 2.97Å; L35-D107 PolarHBondContact O-N 2.87Å; L35-V109 HydrophobicContact CD2-CG2 3.71Å
36	K	96.9	Very high	88.6	Confident	125 Å²	125	72.3 Å²	72.3	54%	0.543	35%	0.35	S	S	.	.			trans	-113.9	130.9	175.7	-68.6	-177.7	179.8	-179.8	0	110	G34 S56 N57	G34-K36 PolarHBondContact O-N 3.15Å; K36-S56 WeakPolarHBondContact CB-OG 3.42Å; K36-S56 PolarHBondContact O-N 2.82Å; K36-S56 PolarHBondContact O-OG 2.89Å; K36-N57 PolarHBondContact N-OD1 2.98Å
37	S	95.1	Very high	87.2	Confident	22 Å²	22	81.1 Å²	81.1	15%	0.154	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	140	173.9	65.7	0	0	0	0	111.7	K53 K54 D106	S37-K53 PolarHBondContact OG-NZ 2.74Å; S37-K54 CarbonylContact C-O 3.54Å; S37-K54 WeakPolarHBondContact CA-O 3.24Å; S37-D106 WeakPolarHBondContact CB-OD1 3.29Å; S37-D106 PolarHBondContact N-OD1 2.83Å; S37-D106 PolarHBondContact OG-OD1 3.02Å
38	S	93.9	Very high	86	Confident	46 Å²	46	84.6 Å²	84.6	32%	0.322	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.4	166.8	60.1	0	0	0	0	109.9	K53 K54	S38-K53 CarbonylContact O-C 3.34Å; S38-K53 VanDerWaalsContact O-CA 3.32Å; S38-K53 WeakPolarHBondContact O-CA 3.33Å; S38-K54 PolarHBondContact N-O 3.42Å; S38-K54 PolarHBondContact O-N 2.91Å
39	T	91.5	Very high	84.9	Confident	89 Å²	89	87 Å²	87	55%	0.546	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	125.8	172.6	-57.2	0	0	0	0	108.7	L51	T39-L51 HydrophobicContact CG2-CB 4.17Å; T39-L51 HydrophobicContact CG2-CD2 3.85Å; T39-L51 HydrophobicContact CG2-CG 4.49Å
40	I	88.3	Confident	84	Confident	52 Å²	52	91.7 Å²	91.7	27%	0.267	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.7	175.4	58	168.6	0	0	0	110.6	L51 Y52 K54	I40-L51 WeakPolarHBondContact O-CA 3.41Å; I40-Y52 HydrophobicContact CD1-CD1 4.27Å; I40-Y52 HydrophobicContact CD1-CD2 4.38Å; I40-Y52 HydrophobicContact CD1-CE1 3.46Å; I40-Y52 VanDerWaalsContact CD1-CE1 3.46Å; I40-Y52 HydrophobicContact CD1-CE2 3.64Å; I40-Y52 VanDerWaalsContact CD1-OH 3.25Å; I40-Y52 WeakPolarHBondContact CD1-OH 3.27Å; I40-Y52 HydrophobicContact CG1-CD1 3.84Å; I40-Y52 HydrophobicContact CG1-CD2 4.25Å; I40-Y52 HydrophobicContact CG1-CE1 3.51Å; I40-Y52 HydrophobicContact CG1-CE2 4Å; I40-Y52 HydrophobicContact CG1-CG 4.23Å; I40-Y52 WeakPolarHBondContact CG1-O 3.2Å; I40-Y52 PolarHBondContact N-O 3Å; I40-Y52 PolarHBondContact O-N 2.88Å; I40-K54 HydrophobicContact CD1-CB 3.72Å; I40-K54 HydrophobicContact CD1-CD 3.76Å; I40-K54 HydrophobicContact CD1-CG 4.34Å; I40-K54 HydrophobicContact CG1-CB 4.11Å
41	L	84	Confident	83.3	Confident	85 Å²	85	97.6 Å²	97.6	45%	0.445	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.8	177.5	-171.1	72.3	0	0	0	108.6	F43 P49 L51	L41-F43 HydrophobicContact CD2-CE1 4.13Å; L41-F43 HydrophobicContact CD2-CE2 3.72Å; L41-F43 HydrophobicContact CD2-CZ 3.38Å; L41-F43 HydrophobicContact CG-CE2 4.1Å; L41-F43 HydrophobicContact CG-CZ 4.12Å; L41-P49 HydrophobicContact CD1-CB 3.63Å; L41-P49 HydrophobicContact CD1-CG 3.95Å; L41-P49 HydrophobicContact CD2-CB 4.28Å; L41-P49 HydrophobicContact CD2-CG 4.45Å; L41-P49 HydrophobicContact CG-CB 3.83Å; L41-P49 HydrophobicContact CG-CG 4.4Å; L41-L51 HydrophobicContact CB-CD2 4.23Å; L41-L51 HydrophobicContact CD1-CD2 3.56Å; L41-L51 HydrophobicContact CD1-CG 4.03Å
42	E	79.1	Confident	82.8	Confident	72 Å²	72	96.7 Å²	96.7	34%	0.336	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.1	174.1	-133.6	168.9	-168.1	0	0	111.7	H44 P49 K50 Y52	E42-H44 PolarHBondContact O-N 3.06Å; E42-H44 IonicContact OE1-NE2 3.92Å; E42-H44 IonicContact OE2-CD2 3.39Å; E42-H44 PolarHBondContact OE2-CD2 2.96Å; E42-H44 IonicContact OE2-CE1 3.09Å; E42-H44 IonicContact OE2-NE2 2.94Å; E42-H44 PolarHBondContact OE2-NE2 2.81Å; E42-P49 CarbonylContact O-C 3.48Å; E42-P49 VanDerWaalsContact O-CA 3.27Å; E42-P49 WeakPolarHBondContact O-CA 3.43Å; E42-K50 PolarHBondContact N-O 3.41Å; E42-K50 PolarHBondContact O-N 2.82Å; E42-Y52 HydrophobicContact CB-CD1 3.92Å; E42-Y52 HydrophobicContact CB-CE1 3.46Å; E42-Y52 VanDerWaalsContact CB-CE1 3.46Å; E42-Y52 VanDerWaalsContact CD-OH 3.29Å; E42-Y52 HydrophobicContact CG-CE1 3.63Å; E42-Y52 PolarHBondContact OE1-OH 2.79Å; E42-Y52 VanDerWaalsContact OE1-OH 3.07Å; E42-Y52 WeakPolarHBondContact OE2-CE1 3.28Å
43	F	71.6	Confident	82.6	Confident	160 Å²	160	100.7 Å²	100.7	70%	0.702	49%	0.493	S	S	*	.			trans	-86.4	86.2	168.5	-61.5	-88.2	0	0	0	108.3	L41 P49	L41-F43 HydrophobicContact CD2-CE1 4.13Å; L41-F43 HydrophobicContact CD2-CE2 3.72Å; L41-F43 HydrophobicContact CD2-CZ 3.38Å; L41-F43 HydrophobicContact CG-CE2 4.1Å; L41-F43 HydrophobicContact CG-CZ 4.12Å; F43-P49 HydrophobicContact CD1-CB 3.88Å; F43-P49 HydrophobicContact CD1-CG 4.49Å; F43-P49 HydrophobicContact CE1-CB 3.97Å; F43-P49 HydrophobicContact CE1-CG 4.22Å; F43-P49 HydrophobicContact CG-CB 4.45Å
44	H	61.9	Low	82.5	Confident	88 Å²	88	97.4 Å²	97.4	41%	0.407	48%	0.476	S	S	.	.			trans	-69.3	163.9	165.3	-75.7	-141.4	0	0	0	108.5	E42 K46	E42-H44 PolarHBondContact O-N 3.06Å; E42-H44 IonicContact OE1-NE2 3.92Å; E42-H44 IonicContact OE2-CD2 3.39Å; E42-H44 PolarHBondContact OE2-CD2 2.96Å; E42-H44 IonicContact OE2-CE1 3.09Å; E42-H44 IonicContact OE2-NE2 2.94Å; E42-H44 PolarHBondContact OE2-NE2 2.81Å; H44-K46 PolarHBondContact O-N 2.86Å; H44-K46 VanDerWaalsContact O-O 3.05Å
45	K	62.5	Low	82.5	Confident	233 Å²	233	96.7 Å²	96.7	100%	1.013	47%	0.468	S	S	*	.	S	Bend	trans	-57	2.1	172.1	-66.6	-176.4	178.6	-179.6	0	114.6
46	K	58	Low	82.3	Confident	159 Å²	159	99.4 Å²	99.4	69%	0.691	49%	0.486	S	S	*	.	S	Bend	trans	-96.9	142.4	176.6	-64.7	-173.5	176.9	-174.8	0	109.1	H44 I48	H44-K46 PolarHBondContact O-N 2.86Å; H44-K46 VanDerWaalsContact O-O 3.05Å; K46-I48 PolarHBondContact O-N 2.88Å
47	L	67.4	Low	82.3	Confident	184 Å²	184	93.6 Å²	93.6	96%	0.963	46%	0.462	S	S	*	.	S	Bend	trans	-55.1	-17.4	-174.7	-81.4	141.3	0	0	0	115.9
48	I	73.5	Confident	82.4	Confident	135 Å²	135	92.7 Å²	92.7	69%	0.692	46%	0.456	S	S	*	.	S	Bend	trans	-111.5	111.6	-178.1	-54.6	173.3	0	0	0	108	K46	K46-I48 PolarHBondContact O-N 2.88Å
49	P	75.9	Confident	82.5	Confident	49 Å²	49	94.2 Å²	94.2	32%	0.318	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-64.5	141	175.3	28.5	-33.8	0	0	0	109.6	L41 E42 F43	L41-P49 HydrophobicContact CD1-CB 3.63Å; L41-P49 HydrophobicContact CD1-CG 3.95Å; L41-P49 HydrophobicContact CD2-CB 4.28Å; L41-P49 HydrophobicContact CD2-CG 4.45Å; L41-P49 HydrophobicContact CG-CB 3.83Å; L41-P49 HydrophobicContact CG-CG 4.4Å; E42-P49 CarbonylContact O-C 3.48Å; E42-P49 VanDerWaalsContact O-CA 3.27Å; E42-P49 WeakPolarHBondContact O-CA 3.43Å; F43-P49 HydrophobicContact CD1-CB 3.88Å; F43-P49 HydrophobicContact CD1-CG 4.49Å; F43-P49 HydrophobicContact CE1-CB 3.97Å; F43-P49 HydrophobicContact CE1-CG 4.22Å; F43-P49 HydrophobicContact CG-CB 4.45Å
50	K	79.3	Confident	82.8	Confident	123 Å²	123	92.1 Å²	92.1	54%	0.535	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.6	-179	-71.4	-174.1	175	-172.7	0	109.6	E42	E42-K50 PolarHBondContact N-O 3.41Å; E42-K50 PolarHBondContact O-N 2.82Å
51	L	84.4	Confident	83.2	Confident	125 Å²	125	91.6 Å²	91.6	65%	0.654	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	126.6	166.7	-68.8	170.9	0	0	0	108.6	T39 I40 L41	T39-L51 HydrophobicContact CG2-CB 4.17Å; T39-L51 HydrophobicContact CG2-CD2 3.85Å; T39-L51 HydrophobicContact CG2-CG 4.49Å; I40-L51 WeakPolarHBondContact O-CA 3.41Å; L41-L51 HydrophobicContact CB-CD2 4.23Å; L41-L51 HydrophobicContact CD1-CD2 3.56Å; L41-L51 HydrophobicContact CD1-CG 4.03Å
52	Y	87.5	Confident	83.8	Confident	83 Å²	83	89.8 Å²	89.8	33%	0.325	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.8	171.8	75.1	-77.4	0	0	0	111	I40 E42 K54	I40-Y52 HydrophobicContact CD1-CD1 4.27Å; I40-Y52 HydrophobicContact CD1-CD2 4.38Å; I40-Y52 HydrophobicContact CD1-CE1 3.46Å; I40-Y52 VanDerWaalsContact CD1-CE1 3.46Å; I40-Y52 HydrophobicContact CD1-CE2 3.64Å; I40-Y52 VanDerWaalsContact CD1-OH 3.25Å; I40-Y52 WeakPolarHBondContact CD1-OH 3.27Å; I40-Y52 HydrophobicContact CG1-CD1 3.84Å; I40-Y52 HydrophobicContact CG1-CD2 4.25Å; I40-Y52 HydrophobicContact CG1-CE1 3.51Å; I40-Y52 HydrophobicContact CG1-CE2 4Å; I40-Y52 HydrophobicContact CG1-CG 4.23Å; I40-Y52 WeakPolarHBondContact CG1-O 3.2Å; I40-Y52 PolarHBondContact N-O 3Å; I40-Y52 PolarHBondContact O-N 2.88Å; E42-Y52 HydrophobicContact CB-CD1 3.92Å; E42-Y52 HydrophobicContact CB-CE1 3.46Å; E42-Y52 VanDerWaalsContact CB-CE1 3.46Å; E42-Y52 VanDerWaalsContact CD-OH 3.29Å; E42-Y52 HydrophobicContact CG-CE1 3.63Å; E42-Y52 PolarHBondContact OE1-OH 2.79Å; E42-Y52 VanDerWaalsContact OE1-OH 3.07Å; E42-Y52 WeakPolarHBondContact OE2-CE1 3.28Å; Y52-K54 HydrophobicContact CE2-CB 4.36Å
53	K	92.7	Very high	84.6	Confident	86 Å²	86	91.7 Å²	91.7	37%	0.374	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	134.5	176.3	-77.1	-171.6	164.1	-146.2	0	110.3	S37 S38 V104	S37-K53 PolarHBondContact OG-NZ 2.74Å; S38-K53 CarbonylContact O-C 3.34Å; S38-K53 VanDerWaalsContact O-CA 3.32Å; S38-K53 WeakPolarHBondContact O-CA 3.33Å; K53-V104 HydrophobicContact CB-CB 4.32Å; K53-V104 WeakPolarHBondContact CB-O 3.31Å; K53-V104 VanDerWaalsContact CD-O 3.31Å; K53-V104 WeakPolarHBondContact CD-O 3.34Å
54	K	94.4	Very high	85.8	Confident	106 Å²	106	86.1 Å²	86.1	46%	0.461	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	153.1	172.4	-171.9	176.7	175.9	179.9	0	110.1	S37 S38 I40 Y52 S56	S37-K54 CarbonylContact C-O 3.54Å; S37-K54 WeakPolarHBondContact CA-O 3.24Å; S38-K54 PolarHBondContact N-O 3.42Å; S38-K54 PolarHBondContact O-N 2.91Å; I40-K54 HydrophobicContact CD1-CB 3.72Å; I40-K54 HydrophobicContact CD1-CD 3.76Å; I40-K54 HydrophobicContact CD1-CG 4.34Å; I40-K54 HydrophobicContact CG1-CB 4.11Å; Y52-K54 HydrophobicContact CE2-CB 4.36Å; K54-S56 PolarHBondContact O-N 2.86Å
55	A	95.9	Very high	87.3	Confident	8 Å²	8	84.8 Å²	84.8	7%	0.066	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	127.5	169	0	0	0	0	0	110.1	L35 G58 I60 F73 V104	L35-A55 HydrophobicContact CD1-CB 3.71Å; A55-G58 VanDerWaalsContact CB-O 3.32Å; A55-G58 WeakPolarHBondContact CB-O 3.34Å; A55-I60 HydrophobicContact CB-CD1 3.95Å; A55-I60 HydrophobicContact CB-CG1 4.32Å; A55-F73 HydrophobicContact CB-CE2 4.47Å; A55-V104 HydrophobicContact CB-CG1 4.34Å
56	S	95.7	Very high	88.8	Confident	57 Å²	57	78.7 Å²	78.7	40%	0.399	39%	0.391	S	S	.	.	S	Bend	trans	-95.2	-20.1	-178.9	62.4	0	0	0	0	113.2	K36 K54	K36-S56 WeakPolarHBondContact CB-OG 3.42Å; K36-S56 PolarHBondContact O-N 2.82Å; K36-S56 PolarHBondContact O-OG 2.89Å; K54-S56 PolarHBondContact O-N 2.86Å
57	N	96.8	Very high	90.6	Very high	4 Å²	4	74.3 Å²	74.3	2%	0.021	38%	0.375	C	S	.	.	S	Bend	trans	-125	35.6	177.4	61.5	-21.1	0	0	0	111.5	G34 K36 L76 N78 L79	G34-N57 PolarHBondContact O-ND2 2.94Å; K36-N57 PolarHBondContact N-OD1 2.98Å; N57-L76 PolarHBondContact O-N 3.03Å; N57-N78 PolarHBondContact ND2-OD1 2.81Å; N57-N78 VanDerWaalsContact ND2-OD1 3.12Å; N57-L79 WeakPolarHBondContact ND2-CD1 3.35Å
58	G	96.5	Very high	92	Very high	3 Å²	3	65.5 Å²	65.5	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.9	165.9	174	0	0	0	0	0	112.2	A55 R74	A55-G58 VanDerWaalsContact CB-O 3.32Å; A55-G58 WeakPolarHBondContact CB-O 3.34Å; G58-R74 CarbonylContact C-O 3.56Å; G58-R74 VanDerWaalsContact CA-O 3.24Å; G58-R74 WeakPolarHBondContact CA-O 3.16Å
59	E	96.2	Very high	93.2	Very high	77 Å²	77	59.1 Å²	59.1	36%	0.36	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.6	174.6	-62.1	-173.8	158.8	0	0	109.6	F73 R74 L76	E59-F73 CarbonylContact O-C 3.58Å; E59-F73 WeakPolarHBondContact O-CA 3.46Å; E59-R74 PolarHBondContact N-O 2.88Å; E59-R74 PolarHBondContact O-N 2.87Å; E59-L76 HydrophobicContact CG-CD1 4.11Å
60	I	97	Very high	94.2	Very high	45 Å²	45	58.5 Å²	58.5	23%	0.231	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.8	177.4	-67	169	0	0	0	108.7	A55 F71 E72 F73 L102 V104 V109	A55-I60 HydrophobicContact CB-CD1 3.95Å; A55-I60 HydrophobicContact CB-CG1 4.32Å; I60-F71 HydrophobicContact CG1-CE2 4.34Å; I60-F71 HydrophobicContact CG2-CD2 4.08Å; I60-F71 HydrophobicContact CG2-CE2 3.76Å; I60-E72 CarbonylContact C-O 3.51Å; I60-E72 VanDerWaalsContact CA-O 3.28Å; I60-E72 WeakPolarHBondContact CA-O 3.39Å; I60-F73 HydrophobicContact CD1-CD2 4.43Å; I60-F73 HydrophobicContact CG1-CD2 3.79Å; I60-L102 HydrophobicContact CD1-CD2 4.48Å; I60-L102 HydrophobicContact CG2-CD1 3.67Å; I60-L102 HydrophobicContact CG2-CD2 4.23Å; I60-V104 HydrophobicContact CD1-CG1 4.42Å; I60-V104 HydrophobicContact CD1-CG2 3.68Å; I60-V109 HydrophobicContact CD1-CG2 3.69Å
61	V	96.3	Very high	95.1	Very high	41 Å²	41	52.7 Å²	52.7	25%	0.248	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.6	165.7	-180	0	0	0	0	107.6	H63 F71 E72	V61-H63 VanDerWaalsContact CG1-CD2 3.41Å; V61-H63 WeakPolarHBondContact CG1-CD2 3.32Å; V61-H63 WeakPolarHBondContact CG1-NE2 3.16Å; V61-F71 WeakPolarHBondContact O-CA 3.5Å; V61-E72 HydrophobicContact CB-CB 4.08Å; V61-E72 HydrophobicContact CB-CG 4.32Å; V61-E72 PolarHBondContact N-O 2.85Å; V61-E72 PolarHBondContact O-N 2.9Å
62	F	96.7	Very high	95.7	Very high	48 Å²	48	47.8 Å²	47.8	21%	0.211	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	121.5	176.9	178.7	-118.1	0	0	0	110.9	L64 F69 L70 F71 L102 I111	F62-L64 HydrophobicContact CE1-CD1 3.84Å; F62-L64 HydrophobicContact CE1-CD2 4.34Å; F62-L64 HydrophobicContact CE1-CG 3.8Å; F62-L64 HydrophobicContact CE2-CD2 4.38Å; F62-L64 HydrophobicContact CE2-CG 4.42Å; F62-L64 HydrophobicContact CZ-CD1 4.03Å; F62-L64 HydrophobicContact CZ-CD2 3.69Å; F62-L64 HydrophobicContact CZ-CG 3.62Å; F62-F69 HydrophobicContact CE2-CB 3.92Å; F62-F69 HydrophobicContact CE2-CD2 4.03Å; F62-F69 HydrophobicContact CE2-CG 4.18Å; F62-L70 VanDerWaalsContact CA-O 3.31Å; F62-L70 WeakPolarHBondContact CA-O 3.46Å; F62-F71 HydrophobicContact CD2-CB 4.49Å; F62-L102 HydrophobicContact CB-CD1 3.6Å; F62-L102 HydrophobicContact CD1-CB 3.73Å; F62-L102 HydrophobicContact CD1-CD1 4.19Å; F62-L102 HydrophobicContact CD2-CD1 4.01Å; F62-L102 HydrophobicContact CE1-CB 4.04Å; F62-L102 HydrophobicContact CG-CB 4.11Å; F62-L102 HydrophobicContact CG-CD1 3.68Å; F62-I111 HydrophobicContact CD2-CD1 4.32Å; F62-I111 HydrophobicContact CE2-CD1 3.96Å; F62-I111 HydrophobicContact CE2-CG1 4.2Å; F62-I111 HydrophobicContact CE2-CG2 3.78Å; F62-I111 HydrophobicContact CZ-CG2 3.67Å
63	H	96.7	Very high	96.2	Very high	112 Å²	112	43.9 Å²	43.9	52%	0.519	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.5	178.2	-64.7	-65.6	0	0	0	109.9	V61 F69 L70	V61-H63 VanDerWaalsContact CG1-CD2 3.41Å; V61-H63 WeakPolarHBondContact CG1-CD2 3.32Å; V61-H63 WeakPolarHBondContact CG1-NE2 3.16Å; H63-F69 CarbonylContact O-C 3.5Å; H63-F69 WeakPolarHBondContact O-CA 3.49Å; H63-F69 WeakPolarHBondContact O-CB 3.33Å; H63-L70 HydrophobicContact CB-CB 4.42Å; H63-L70 PolarHBondContact N-O 3.1Å; H63-L70 PolarHBondContact O-N 2.83Å
64	L	96.3	Very high	96.4	Very high	42 Å²	42	43.3 Å²	43.3	22%	0.22	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	140.8	172.3	-74.3	162	0	0	0	109.4	F62 F69 L95 L113	F62-L64 HydrophobicContact CE1-CD1 3.84Å; F62-L64 HydrophobicContact CE1-CD2 4.34Å; F62-L64 HydrophobicContact CE1-CG 3.8Å; F62-L64 HydrophobicContact CE2-CD2 4.38Å; F62-L64 HydrophobicContact CE2-CG 4.42Å; F62-L64 HydrophobicContact CZ-CD1 4.03Å; F62-L64 HydrophobicContact CZ-CD2 3.69Å; F62-L64 HydrophobicContact CZ-CG 3.62Å; L64-F69 HydrophobicContact CD2-CB 4Å; L64-L95 HydrophobicContact CD2-CD1 3.81Å; L64-L113 HydrophobicContact CD2-CD2 3.64Å
65	N	94.1	Very high	96.5	Very high	60 Å²	60	38.6 Å²	38.6	32%	0.321	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-174.9	164	64.4	36.8	0	0	0	108.6	D67 G68	N65-D67 VanDerWaalsContact C-N 3.28Å; N65-D67 PolarHBondContact O-N 2.83Å; N65-D67 PolarHBondContact OD1-N 3.48Å; N65-D67 PolarHBondContact OD1-OD1 2.77Å; N65-G68 PolarHBondContact N-O 3.01Å; N65-G68 WeakPolarHBondContact OD1-CA 3.28Å; N65-G68 PolarHBondContact OD1-N 3.38Å; N65-G68 PolarHBondContact OD1-O 3.42Å
66	N	94.4	Very high	96.5	Very high	105 Å²	105	41.8 Å²	41.8	56%	0.561	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.2	-172.8	-72.1	-12.8	0	0	0	113.3	I94 L95	N66-I94 CarbonylContact O-C 3.59Å; N66-I94 WeakPolarHBondContact O-CA 3.17Å; N66-L95 PolarHBondContact O-N 3.11Å
67	D	95.1	Very high	96.5	Very high	67 Å²	67	45.2 Å²	45.2	36%	0.358	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.3	33.9	-169.1	67.3	-39.4	0	0	0	111.3	N65 N89 K90 L91	N65-D67 VanDerWaalsContact C-N 3.28Å; N65-D67 PolarHBondContact O-N 2.83Å; N65-D67 PolarHBondContact OD1-N 3.48Å; N65-D67 PolarHBondContact OD1-OD1 2.77Å; D67-N89 CarbonylContact O-C 3.54Å; D67-K90 PolarHBondContact O-N 3.15Å; D67-K90 PolarHBondContact OD2-N 2.69Å; D67-L91 VanDerWaalsContact O-CB 3.31Å; D67-L91 WeakPolarHBondContact O-CB 3.41Å; D67-L91 PolarHBondContact O-N 3.18Å
68	G	97	Very high	96.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.1	-179.5	-166.8	0	0	0	0	0	113.9	N65 V88 L95	N65-G68 PolarHBondContact N-O 3.01Å; N65-G68 WeakPolarHBondContact OD1-CA 3.28Å; N65-G68 PolarHBondContact OD1-N 3.38Å; N65-G68 PolarHBondContact OD1-O 3.42Å; G68-V88 CarbonylContact C-O 3.56Å; G68-V88 WeakPolarHBondContact CA-O 3.24Å; G68-L95 WeakPolarHBondContact O-CD1 3.31Å
69	F	97.7	Very high	96.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	159.1	178.6	66.4	-89	0	0	0	111.2	I28 F62 H63 L64 F71 L86 V88 L91 I111 L113	I28-F69 HydrophobicContact CD1-CE1 3.46Å; I28-F69 VanDerWaalsContact CD1-CE1 3.46Å; I28-F69 HydrophobicContact CD1-CZ 3.55Å; F62-F69 HydrophobicContact CE2-CB 3.92Å; F62-F69 HydrophobicContact CE2-CD2 4.03Å; F62-F69 HydrophobicContact CE2-CG 4.18Å; H63-F69 CarbonylContact O-C 3.5Å; H63-F69 WeakPolarHBondContact O-CA 3.49Å; H63-F69 WeakPolarHBondContact O-CB 3.33Å; L64-F69 HydrophobicContact CD2-CB 4Å; F69-F71 HydrophobicContact CD2-CB 4.23Å; F69-F71 HydrophobicContact CE2-CB 4.18Å; F69-L86 HydrophobicContact CE2-CB 4.41Å; F69-L86 HydrophobicContact CE2-CD2 3.95Å; F69-L86 HydrophobicContact CE2-CG 3.99Å; F69-L86 HydrophobicContact CZ-CD2 3.85Å; F69-L86 HydrophobicContact CZ-CG 4.11Å; F69-V88 HydrophobicContact CD1-CB 4.06Å; F69-V88 HydrophobicContact CE1-CB 3.7Å; F69-V88 HydrophobicContact CE1-CG1 4.18Å; F69-V88 HydrophobicContact CE1-CG2 3.76Å; F69-V88 HydrophobicContact CE2-CG2 4.16Å; F69-V88 HydrophobicContact CZ-CB 3.98Å; F69-V88 HydrophobicContact CZ-CG2 3.54Å; F69-V88 PolarHBondContact N-O 2.78Å; F69-V88 PolarHBondContact O-N 3.39Å; F69-L91 HydrophobicContact CD1-CD1 4.11Å; F69-L91 HydrophobicContact CE1-CD1 4.37Å; F69-I111 HydrophobicContact CD2-CD1 3.98Å; F69-I111 HydrophobicContact CE2-CD1 3.61Å; F69-I111 HydrophobicContact CZ-CD1 4.24Å; F69-L113 HydrophobicContact CD1-CD1 3.74Å; F69-L113 HydrophobicContact CD1-CD2 4.42Å; F69-L113 HydrophobicContact CE1-CD1 3.84Å
70	L	97.3	Very high	96.1	Very high	37 Å²	37	49.5 Å²	49.5	19%	0.194	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.1	165.5	174.2	64.5	0	0	0	108.1	F62 H63 E72 Q85 H87	F62-L70 VanDerWaalsContact CA-O 3.31Å; F62-L70 WeakPolarHBondContact CA-O 3.46Å; H63-L70 HydrophobicContact CB-CB 4.42Å; H63-L70 PolarHBondContact N-O 3.1Å; H63-L70 PolarHBondContact O-N 2.83Å; L70-E72 HydrophobicContact CD1-CG 4.05Å; L70-E72 HydrophobicContact CD2-CG 4.39Å; L70-E72 HydrophobicContact CG-CG 4.12Å; L70-Q85 HydrophobicContact CD1-CG 3.7Å; L70-H87 HydrophobicContact CD1-CB 3.78Å
71	F	97.9	Very high	95.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131	165.8	166	-96.8	0	0	0	109.1	I30 I32 I60 V61 F62 F69 F73 Q85 L86 L102 V109 I111	I30-F71 HydrophobicContact CD1-CB 4.44Å; I30-F71 HydrophobicContact CD1-CD1 3.42Å; I30-F71 VanDerWaalsContact CD1-CD1 3.42Å; I30-F71 HydrophobicContact CD1-CD2 4.25Å; I30-F71 HydrophobicContact CD1-CE1 3.58Å; I30-F71 HydrophobicContact CD1-CE2 4.38Å; I30-F71 HydrophobicContact CD1-CG 3.77Å; I30-F71 HydrophobicContact CD1-CZ 4.05Å; I30-F71 HydrophobicContact CG2-CE1 4.08Å; I32-F71 HydrophobicContact CD1-CZ 4.05Å; I60-F71 HydrophobicContact CG1-CE2 4.34Å; I60-F71 HydrophobicContact CG2-CD2 4.08Å; I60-F71 HydrophobicContact CG2-CE2 3.76Å; V61-F71 WeakPolarHBondContact O-CA 3.5Å; F62-F71 HydrophobicContact CD2-CB 4.49Å; F69-F71 HydrophobicContact CD2-CB 4.23Å; F69-F71 HydrophobicContact CE2-CB 4.18Å; F71-F73 HydrophobicContact CE1-CB 4.08Å; F71-F73 HydrophobicContact CZ-CB 3.75Å; F71-Q85 CarbonylContact O-C 3.56Å; F71-Q85 VanDerWaalsContact O-CA 3.28Å; F71-Q85 WeakPolarHBondContact O-CA 3.14Å; F71-Q85 WeakPolarHBondContact O-CG 3.16Å; F71-L86 HydrophobicContact CB-CB 4.33Å; F71-L86 HydrophobicContact CD1-CB 4.16Å; F71-L86 PolarHBondContact N-O 3.09Å; F71-L86 PolarHBondContact O-N 2.84Å; F71-L102 HydrophobicContact CD2-CD1 3.85Å; F71-L102 HydrophobicContact CE2-CD1 4.13Å; F71-V109 HydrophobicContact CE2-CB 4.27Å; F71-V109 HydrophobicContact CE2-CG1 3.87Å; F71-V109 HydrophobicContact CE2-CG2 4.27Å; F71-V109 HydrophobicContact CZ-CB 4.39Å; F71-V109 HydrophobicContact CZ-CG1 4.46Å; F71-V109 HydrophobicContact CZ-CG2 4.29Å; F71-I111 HydrophobicContact CB-CD1 3.92Å; F71-I111 HydrophobicContact CD2-CD1 4.32Å; F71-I111 HydrophobicContact CG-CD1 4.23Å
72	E	97.4	Very high	95.8	Very high	23 Å²	23	54.1 Å²	54.1	11%	0.107	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.7	167.8	-47.3	-171.5	145.2	0	0	109.7	F10 I60 V61 L70 R74 Y84 Q85	F10-E72 HydrophobicContact CE1-CB 4.21Å; F10-E72 HydrophobicContact CZ-CB 4.38Å; I60-E72 CarbonylContact C-O 3.51Å; I60-E72 VanDerWaalsContact CA-O 3.28Å; I60-E72 WeakPolarHBondContact CA-O 3.39Å; V61-E72 HydrophobicContact CB-CB 4.08Å; V61-E72 HydrophobicContact CB-CG 4.32Å; V61-E72 PolarHBondContact N-O 2.85Å; V61-E72 PolarHBondContact O-N 2.9Å; L70-E72 HydrophobicContact CD1-CG 4.05Å; L70-E72 HydrophobicContact CD2-CG 4.39Å; L70-E72 HydrophobicContact CG-CG 4.12Å; E72-R74 IonicContact OE2-CZ 3.25Å; E72-R74 VanDerWaalsContact OE2-CZ 3.25Å; E72-R74 IonicContact OE2-NH1 3.01Å; E72-R74 PolarHBondContact OE2-NH1 2.9Å; E72-R74 IonicContact OE2-NH2 2.77Å; E72-R74 PolarHBondContact OE2-NH2 2.81Å; E72-Y84 CarbonylContact C-O 3.34Å; E72-Y84 WeakPolarHBondContact CA-O 3.46Å; E72-Q85 HydrophobicContact CG-CG 4.12Å; E72-Q85 PolarHBondContact OE1-NE2 2.94Å
73	F	97.5	Very high	95.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.3	166.1	174.9	-97.9	0	0	0	109	I32 L35 A55 E59 I60 F71 G75 L79 C82 N83 Y84	I32-F73 HydrophobicContact CD1-CB 4Å; I32-F73 HydrophobicContact CD1-CD1 4.06Å; I32-F73 HydrophobicContact CD1-CD2 3.99Å; I32-F73 HydrophobicContact CD1-CE2 4.49Å; I32-F73 HydrophobicContact CD1-CG 3.75Å; I32-F73 HydrophobicContact CG2-CD1 4.26Å; I32-F73 HydrophobicContact CG2-CE1 3.82Å; I32-F73 HydrophobicContact CG2-CZ 3.99Å; L35-F73 HydrophobicContact CD1-CE2 3.67Å; L35-F73 HydrophobicContact CD1-CZ 4.08Å; A55-F73 HydrophobicContact CB-CE2 4.47Å; E59-F73 CarbonylContact O-C 3.58Å; E59-F73 WeakPolarHBondContact O-CA 3.46Å; I60-F73 HydrophobicContact CD1-CD2 4.43Å; I60-F73 HydrophobicContact CG1-CD2 3.79Å; F71-F73 HydrophobicContact CE1-CB 4.08Å; F71-F73 HydrophobicContact CZ-CB 3.75Å; F73-G75 VanDerWaalsContact CE1-CA 3.47Å; F73-L79 HydrophobicContact CE1-CD1 4.27Å; F73-L79 HydrophobicContact CZ-CD1 3.82Å; F73-C82 WeakPolarHBondContact CD1-O 3.45Å; F73-C82 HydrophobicContact CE1-CB 4.25Å; F73-C82 WeakPolarHBondContact CE1-O 3.31Å; F73-N83 CarbonylContact O-C 3.58Å; F73-N83 WeakPolarHBondContact O-CA 3.34Å; F73-Y84 HydrophobicContact CB-CD2 4.41Å; F73-Y84 AromaticContact CD1-CD2 3.7Å; F73-Y84 HydrophobicContact CD1-CD2 3.7Å; F73-Y84 HydrophobicContact CD1-CE2 4.24Å; F73-Y84 HydrophobicContact CE1-CD2 4.45Å; F73-Y84 HydrophobicContact CG-CD2 4.42Å; F73-Y84 PolarHBondContact N-O 2.63Å; F73-Y84 PolarHBondContact O-N 3.21Å
74	R	97.4	Very high	95.8	Very high	75 Å²	75	50.2 Å²	50.2	28%	0.283	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	109.4	169.9	-63.9	-178.5	-179.8	85.3	6.2	108.1	F10 G58 E59 E72 N83	F10-R74 HydrophobicContact CE1-CG 4.17Å; F10-R74 HydrophobicContact CZ-CG 4.28Å; G58-R74 CarbonylContact C-O 3.56Å; G58-R74 VanDerWaalsContact CA-O 3.24Å; G58-R74 WeakPolarHBondContact CA-O 3.16Å; E59-R74 PolarHBondContact N-O 2.88Å; E59-R74 PolarHBondContact O-N 2.87Å; E72-R74 IonicContact OE2-CZ 3.25Å; E72-R74 VanDerWaalsContact OE2-CZ 3.25Å; E72-R74 IonicContact OE2-NH1 3.01Å; E72-R74 PolarHBondContact OE2-NH1 2.9Å; E72-R74 IonicContact OE2-NH2 2.77Å; E72-R74 PolarHBondContact OE2-NH2 2.81Å; R74-N83 WeakPolarHBondContact CA-OD1 3.32Å
75	G	97	Very high	95.8	Very high	7 Å²	7	49 Å²	49	7%	0.072	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	153.3	-177.1	0	0	0	0	0	112.9	F73 L79 C82	F73-G75 VanDerWaalsContact CE1-CA 3.47Å; G75-L79 CarbonylContact C-O 3.54Å; G75-L79 WeakPolarHBondContact CA-O 3.44Å; G75-C82 PolarHBondContact N-O 2.87Å
76	L	95.9	Very high	95.9	Very high	74 Å²	74	46.2 Å²	46.2	39%	0.387	25%	0.247	S	C	.	.			trans	-126.9	162.2	177.3	-62	173.5	0	0	0	109.4	N57 E59 N78 L79	N57-L76 PolarHBondContact O-N 3.03Å; E59-L76 HydrophobicContact CG-CD1 4.11Å; L76-N78 PolarHBondContact O-N 3.42Å; L76-N78 VanDerWaalsContact O-N 3.17Å; L76-L79 PolarHBondContact O-N 2.86Å
77	N	94.4	Very high	96	Very high	130 Å²	130	43.8 Å²	43.8	70%	0.695	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	54.6	-118.7	178.3	-53.1	-44.3	0	0	0	111.8	L79 A80	N77-L79 PolarHBondContact O-N 3.13Å; N77-L79 VanDerWaalsContact O-N 3.17Å; N77-A80 WeakPolarHBondContact O-CB 3.25Å; N77-A80 PolarHBondContact O-N 2.87Å
78	N	93.9	Very high	96.1	Very high	111 Å²	111	40.6 Å²	40.6	59%	0.594	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-68.6	-7.7	179.4	69.1	-53.5	0	0	0	114.2	N57 L76	N57-N78 PolarHBondContact ND2-OD1 2.81Å; N57-N78 VanDerWaalsContact ND2-OD1 3.12Å; L76-N78 PolarHBondContact O-N 3.42Å; L76-N78 VanDerWaalsContact O-N 3.17Å
79	L	95.5	Very high	96	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.052	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-111.6	15	175.2	-61.9	-179.2	0	0	0	112.4	I32 Q33 N57 F73 G75 L76 N77 D81 C82	I32-L79 HydrophobicContact CG2-CD1 4.34Å; Q33-L79 WeakPolarHBondContact O-CD2 3.33Å; N57-L79 WeakPolarHBondContact ND2-CD1 3.35Å; F73-L79 HydrophobicContact CE1-CD1 4.27Å; F73-L79 HydrophobicContact CZ-CD1 3.82Å; G75-L79 CarbonylContact C-O 3.54Å; G75-L79 WeakPolarHBondContact CA-O 3.44Å; L76-L79 PolarHBondContact O-N 2.86Å; N77-L79 PolarHBondContact O-N 3.13Å; N77-L79 VanDerWaalsContact O-N 3.17Å; L79-D81 PolarHBondContact O-N 2.81Å; L79-C82 HydrophobicContact CB-CB 4.21Å; L79-C82 VanDerWaalsContact O-CB 3.32Å; L79-C82 WeakPolarHBondContact O-CB 3.28Å; L79-C82 PolarHBondContact O-N 2.85Å
80	A	93	Very high	95.9	Very high	52 Å²	52	49 Å²	49	43%	0.43	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-28	-173.4	0	0	0	0	0	114.8	N77	N77-A80 WeakPolarHBondContact O-CB 3.25Å; N77-A80 PolarHBondContact O-N 2.87Å
81	D	92	Very high	95.8	Very high	153 Å²	153	47.7 Å²	47.7	82%	0.818	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-0.7	177.9	-58.9	-45	0	0	0	113.5	L79 N83	L79-D81 PolarHBondContact O-N 2.81Å; D81-N83 PolarHBondContact O-N 2.78Å
82	C	94.4	Very high	95.7	Very high	30 Å²	30	49.4 Å²	49.4	20%	0.203	26%	0.258	C	S	.	.			trans	-95.8	94.7	179.9	-60.3	0	0	0	0	110.4	F73 G75 L79 Y84	F73-C82 WeakPolarHBondContact CD1-O 3.45Å; F73-C82 HydrophobicContact CE1-CB 4.25Å; F73-C82 WeakPolarHBondContact CE1-O 3.31Å; G75-C82 PolarHBondContact N-O 2.87Å; L79-C82 HydrophobicContact CB-CB 4.21Å; L79-C82 VanDerWaalsContact O-CB 3.32Å; L79-C82 WeakPolarHBondContact O-CB 3.28Å; L79-C82 PolarHBondContact O-N 2.85Å; C82-Y84 HydrophobicContact CB-CE2 3.81Å
83	N	96.2	Very high	95.5	Very high	30 Å²	30	49.9 Å²	49.9	16%	0.16	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.9	174.7	-60.9	-68.1	0	0	0	109.9	V8 F10 I11 F73 R74 D81	V8-N83 HydrophobicContact CG1-CB 3.5Å; F10-N83 HydrophobicContact CD1-CB 3.98Å; F10-N83 HydrophobicContact CE1-CB 4.23Å; I11-N83 PolarHBondContact N-O 2.84Å; F73-N83 CarbonylContact O-C 3.58Å; F73-N83 WeakPolarHBondContact O-CA 3.34Å; R74-N83 WeakPolarHBondContact CA-OD1 3.32Å; D81-N83 PolarHBondContact O-N 2.78Å
84	Y	96.8	Very high	95.5	Very high	48 Å²	48	54.4 Å²	54.4	19%	0.188	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.6	-177.6	-56.7	-64.3	0	0	0	111.7	F10 I11 P13 I32 E72 F73 C82	F10-Y84 WeakPolarHBondContact CD1-O 3.43Å; I11-Y84 HydrophobicContact CB-CD1 4.16Å; I11-Y84 HydrophobicContact CB-CE1 4.42Å; I11-Y84 CarbonylContact O-C 3.32Å; I11-Y84 WeakPolarHBondContact O-CA 3.32Å; P13-Y84 HydrophobicContact CB-CD1 3.84Å; P13-Y84 HydrophobicContact CB-CG 3.85Å; I32-Y84 HydrophobicContact CD1-CD2 4.17Å; I32-Y84 HydrophobicContact CG1-CD2 4.14Å; I32-Y84 HydrophobicContact CG1-CE2 4.27Å; I32-Y84 HydrophobicContact CG2-CD2 4.49Å; I32-Y84 HydrophobicContact CG2-CE2 4.08Å; E72-Y84 CarbonylContact C-O 3.34Å; E72-Y84 WeakPolarHBondContact CA-O 3.46Å; F73-Y84 HydrophobicContact CB-CD2 4.41Å; F73-Y84 AromaticContact CD1-CD2 3.7Å; F73-Y84 HydrophobicContact CD1-CD2 3.7Å; F73-Y84 HydrophobicContact CD1-CE2 4.24Å; F73-Y84 HydrophobicContact CE1-CD2 4.45Å; F73-Y84 HydrophobicContact CG-CD2 4.42Å; F73-Y84 PolarHBondContact N-O 2.63Å; F73-Y84 PolarHBondContact O-N 3.21Å; C82-Y84 HydrophobicContact CB-CE2 3.81Å
85	Q	96.5	Very high	95.5	Very high	18 Å²	18	51.1 Å²	51.1	8%	0.084	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.3	169	-174.3	-176.2	87.4	0	0	110	F10 I11 P13 L70 F71 E72 N134	F10-Q85 HydrophobicContact CB-CB 3.64Å; F10-Q85 HydrophobicContact CD1-CB 3.77Å; F10-Q85 HydrophobicContact CD2-CB 4.39Å; F10-Q85 HydrophobicContact CE1-CB 4.49Å; F10-Q85 HydrophobicContact CG-CB 3.69Å; I11-Q85 PolarHBondContact O-N 2.74Å; P13-Q85 VanDerWaalsContact CD-O 3.27Å; P13-Q85 WeakPolarHBondContact CD-O 3.27Å; L70-Q85 HydrophobicContact CD1-CG 3.7Å; F71-Q85 CarbonylContact O-C 3.56Å; F71-Q85 VanDerWaalsContact O-CA 3.28Å; F71-Q85 WeakPolarHBondContact O-CA 3.14Å; F71-Q85 WeakPolarHBondContact O-CG 3.16Å; E72-Q85 HydrophobicContact CG-CG 4.12Å; E72-Q85 PolarHBondContact OE1-NE2 2.94Å; Q85-N134 VanDerWaalsContact OE1-CG 3.31Å; Q85-N134 PolarHBondContact OE1-ND2 2.68Å; Q85-N134 PolarHBondContact OE1-OD1 2.94Å; Q85-N134 VanDerWaalsContact OE1-OD1 3.11Å
86	L	96.9	Very high	95.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	98	169.2	-174.7	62.4	0	0	0	107.4	I12 P13 Y15 I28 I30 F69 F71 V88 L129 I131	I12-L86 HydrophobicContact CG2-CD1 4.4Å; P13-L86 HydrophobicContact CG-CB 4.26Å; Y15-L86 HydrophobicContact CD1-CD1 4.23Å; Y15-L86 HydrophobicContact CD1-CD2 4.25Å; Y15-L86 HydrophobicContact CE1-CD1 4.13Å; Y15-L86 HydrophobicContact CG-CD2 4.38Å; I28-L86 HydrophobicContact CG2-CD2 4.29Å; I30-L86 HydrophobicContact CD1-CD2 3.95Å; I30-L86 HydrophobicContact CG1-CD2 4.4Å; F69-L86 HydrophobicContact CE2-CB 4.41Å; F69-L86 HydrophobicContact CE2-CD2 3.95Å; F69-L86 HydrophobicContact CE2-CG 3.99Å; F69-L86 HydrophobicContact CZ-CD2 3.85Å; F69-L86 HydrophobicContact CZ-CG 4.11Å; F71-L86 HydrophobicContact CB-CB 4.33Å; F71-L86 HydrophobicContact CD1-CB 4.16Å; F71-L86 PolarHBondContact N-O 3.09Å; F71-L86 PolarHBondContact O-N 2.84Å; L86-V88 HydrophobicContact CD1-CG2 4.05Å; L86-V88 HydrophobicContact CG-CG2 3.91Å; L86-L129 HydrophobicContact CD2-CD1 4.22Å; L86-I131 HydrophobicContact CD1-CD1 3.76Å; L86-I131 HydrophobicContact CD1-CG1 3.88Å; L86-I131 HydrophobicContact CD1-CG2 4.46Å
87	H	96.9	Very high	95.4	Very high	55 Å²	55	52.4 Å²	52.4	26%	0.255	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.2	175	-173.3	-171.8	0	0	0	108.6	L70 I131 V132	L70-H87 HydrophobicContact CD1-CB 3.78Å; H87-I131 CarbonylContact O-C 3.57Å; H87-I131 WeakPolarHBondContact O-CA 3.5Å; H87-V132 HydrophobicContact CB-CB 4.18Å; H87-V132 PolarHBondContact O-N 2.92Å
88	V	97.2	Very high	95.3	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.3	-176.4	-179.5	0	0	0	0	109.2	G68 F69 L86 L91 L129	G68-V88 CarbonylContact C-O 3.56Å; G68-V88 WeakPolarHBondContact CA-O 3.24Å; F69-V88 HydrophobicContact CD1-CB 4.06Å; F69-V88 HydrophobicContact CE1-CB 3.7Å; F69-V88 HydrophobicContact CE1-CG1 4.18Å; F69-V88 HydrophobicContact CE1-CG2 3.76Å; F69-V88 HydrophobicContact CE2-CG2 4.16Å; F69-V88 HydrophobicContact CZ-CB 3.98Å; F69-V88 HydrophobicContact CZ-CG2 3.54Å; F69-V88 PolarHBondContact N-O 2.78Å; F69-V88 PolarHBondContact O-N 3.39Å; L86-V88 HydrophobicContact CD1-CG2 4.05Å; L86-V88 HydrophobicContact CG-CG2 3.91Å; V88-L91 HydrophobicContact CG1-CD1 4.36Å; V88-L91 HydrophobicContact CG1-CD2 3.73Å; V88-L91 HydrophobicContact CG1-CG 3.9Å; V88-L129 HydrophobicContact CG1-CB 4.22Å; V88-L129 HydrophobicContact CG1-CD2 4.24Å; V88-L129 HydrophobicContact CG2-CB 4.11Å; V88-L129 HydrophobicContact CG2-CD1 4.09Å
89	N	94.5	Very high	95.4	Very high	43 Å²	43	55.8 Å²	55.8	23%	0.23	29%	0.286	C	S	.	.			trans	-130.4	177.5	171.5	63.9	5.7	0	0	0	110.3	D67 L91 H130 V132	D67-N89 CarbonylContact O-C 3.54Å; N89-L91 PolarHBondContact O-N 3.29Å; N89-H130 PolarHBondContact N-O 3.18Å; N89-H130 PolarHBondContact OD1-CE1 3.24Å; N89-H130 VanDerWaalsContact OD1-CE1 3.29Å; N89-H130 PolarHBondContact OD1-ND1 3.07Å; N89-V132 HydrophobicContact CB-CG2 4.15Å; N89-V132 VanDerWaalsContact CG-CG2 3.44Å; N89-V132 VanDerWaalsContact ND2-CG2 3.27Å; N89-V132 WeakPolarHBondContact ND2-CG2 3.27Å
90	K	94.3	Very high	95.5	Very high	134 Å²	134	55.8 Å²	55.8	58%	0.583	29%	0.287	S	S	*	.			trans	56.9	31.1	177	-52.7	176	-174.8	168.5	0	114.1	D67 H130	D67-K90 PolarHBondContact O-N 3.15Å; D67-K90 PolarHBondContact OD2-N 2.69Å; K90-H130 PolarHBondContact NZ-NE2 3.34Å; K90-H130 VanDerWaalsContact NZ-NE2 3.15Å
91	L	96.6	Very high	95.6	Very high	9 Å²	9	58.2 Å²	58.2	5%	0.047	29%	0.29	C	S	.	.			trans	-62.7	141.6	168.9	-69	177.8	0	0	0	109.7	D67 F69 V88 N89 G93 L95 L113 W121 V124 L129	D67-L91 VanDerWaalsContact O-CB 3.31Å; D67-L91 WeakPolarHBondContact O-CB 3.41Å; D67-L91 PolarHBondContact O-N 3.18Å; F69-L91 HydrophobicContact CD1-CD1 4.11Å; F69-L91 HydrophobicContact CE1-CD1 4.37Å; V88-L91 HydrophobicContact CG1-CD1 4.36Å; V88-L91 HydrophobicContact CG1-CD2 3.73Å; V88-L91 HydrophobicContact CG1-CG 3.9Å; N89-L91 PolarHBondContact O-N 3.29Å; L91-G93 PolarHBondContact O-N 2.91Å; L91-L95 HydrophobicContact CD1-CD1 4.18Å; L91-L113 HydrophobicContact CD1-CD1 3.54Å; L91-W121 HydrophobicContact CB-CH2 4.34Å; L91-W121 HydrophobicContact CB-CZ3 4.06Å; L91-W121 HydrophobicContact CD1-CH2 4.36Å; L91-W121 HydrophobicContact CD1-CZ3 4.41Å; L91-W121 HydrophobicContact CD2-CZ3 4.1Å; L91-W121 HydrophobicContact CG-CZ3 4.43Å; L91-V124 HydrophobicContact CD2-CG2 4.15Å; L91-L129 HydrophobicContact CD2-CD2 3.9Å
92	P	94.9	Very high	95.8	Very high	36 Å²	36	53.1 Å²	53.1	23%	0.234	26%	0.262	C	S	.	.	S	Bend	trans	-69.5	124.6	179.4	28.4	-36.7	0	0	0	111.3	K115 W121 V124	P92-K115 WeakPolarHBondContact O-CD 3.37Å; P92-K115 WeakPolarHBondContact O-CE 3.38Å; P92-K115 PolarHBondContact O-NZ 2.96Å; P92-W121 HydrophobicContact CG-CE3 3.94Å; P92-W121 HydrophobicContact CG-CZ3 3.99Å; P92-V124 HydrophobicContact CG-CG2 3.7Å
93	G	94.7	Very high	95.9	Very high	33 Å²	33	53.7 Å²	53.7	34%	0.34	26%	0.263	S	S	.	.	S	Bend	trans	85.6	175.8	177.9	0	0	0	0	0	113.2	L91	L91-G93 PolarHBondContact O-N 2.91Å
94	I	96.6	Very high	96	Very high	95 Å²	95	52.6 Å²	52.6	49%	0.487	26%	0.257	S	S	.	.			trans	-94.2	131	-177.9	-58.4	173.5	0	0	0	109.4	N66 K115 T116	N66-I94 CarbonylContact O-C 3.59Å; N66-I94 WeakPolarHBondContact O-CA 3.17Å; I94-K115 CarbonylContact O-C 3.49Å; I94-K115 VanDerWaalsContact O-CA 3.28Å; I94-K115 WeakPolarHBondContact O-CA 3.41Å; I94-T116 HydrophobicContact CB-CG2 4.4Å; I94-T116 HydrophobicContact CG2-CG2 4.06Å; I94-T116 PolarHBondContact O-N 2.8Å; I94-T116 PolarHBondContact O-OG1 2.85Å
95	L	97.5	Very high	96	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.026	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-75.1	136.2	176.3	-65.3	-175.6	0	0	0	112	L64 N66 G68 L91 N97 L113 M114 W121	L64-L95 HydrophobicContact CD2-CD1 3.81Å; N66-L95 PolarHBondContact O-N 3.11Å; G68-L95 WeakPolarHBondContact O-CD1 3.31Å; L91-L95 HydrophobicContact CD1-CD1 4.18Å; L95-N97 PolarHBondContact O-N 2.82Å; L95-L113 HydrophobicContact CD1-CD2 4.34Å; L95-L113 HydrophobicContact CD2-CB 4.05Å; L95-L113 HydrophobicContact CD2-CD1 4.43Å; L95-M114 WeakPolarHBondContact CA-O 3.49Å; L95-W121 HydrophobicContact CD2-CH2 3.74Å; L95-W121 HydrophobicContact CD2-CZ2 4.03Å
96	D	97	Very high	96	Very high	32 Å²	32	58.5 Å²	58.5	17%	0.171	29%	0.285	C	S	.	.			trans	-83.3	96.7	166.3	-170.8	-37.8	0	0	0	109.5	K98 R99 S100 M114 T116	D96-K98 PolarHBondContact O-N 3.16Å; D96-K98 WeakPolarHBondContact OD1-CB 3.41Å; D96-K98 PolarHBondContact OD1-N 3.29Å; D96-R99 HydrophobicContact CB-CB 4.34Å; D96-R99 PolarHBondContact O-N 2.9Å; D96-R99 PolarHBondContact OD1-N 3.31Å; D96-R99 IonicContact OD2-CZ 3.7Å; D96-R99 IonicContact OD2-NE 2.78Å; D96-R99 PolarHBondContact OD2-NE 3.15Å; D96-R99 IonicContact OD2-NH2 3.7Å; D96-R99 PolarHBondContact OD2-NH2 3.05Å; D96-S100 VanDerWaalsContact O-CB 3.29Å; D96-S100 WeakPolarHBondContact O-CB 3.44Å; D96-S100 PolarHBondContact O-N 2.91Å; D96-S100 PolarHBondContact O-OG 2.84Å; D96-M114 HydrophobicContact CB-CB 4.38Å; D96-M114 PolarHBondContact N-O 3.04Å; D96-T116 HydrophobicContact CB-CG2 4.05Å
97	N	94	Very high	96	Very high	77 Å²	77	62.2 Å²	62.2	41%	0.412	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.8	-178	-67.3	-7.4	0	0	0	113.9	L95	L95-N97 PolarHBondContact O-N 2.82Å
98	K	92.8	Very high	96	Very high	204 Å²	204	60 Å²	60	89%	0.887	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-31.1	178.7	-67.6	179.4	-178.9	172	0	112	D96	D96-K98 PolarHBondContact O-N 3.16Å; D96-K98 WeakPolarHBondContact OD1-CB 3.41Å; D96-K98 PolarHBondContact OD1-N 3.29Å
99	R	95	Very high	96.1	Very high	108 Å²	108	60 Å²	60	41%	0.408	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-20.6	-179	-66.8	-171.4	-70.3	155.2	10.1	113.6	D96 M114 K115	D96-R99 HydrophobicContact CB-CB 4.34Å; D96-R99 PolarHBondContact O-N 2.9Å; D96-R99 PolarHBondContact OD1-N 3.31Å; D96-R99 IonicContact OD2-CZ 3.7Å; D96-R99 IonicContact OD2-NE 2.78Å; D96-R99 PolarHBondContact OD2-NE 3.15Å; D96-R99 IonicContact OD2-NH2 3.7Å; D96-R99 PolarHBondContact OD2-NH2 3.05Å; R99-M114 HydrophobicContact CB-CB 4.24Å; R99-M114 HydrophobicContact CB-CG 4.21Å; R99-M114 HydrophobicContact CB-SD 3.65Å; R99-M114 VanDerWaalsContact NH1-CE 3.33Å; R99-K115 PolarHBondContact NH2-O 2.91Å
100	S	97	Very high	96.3	Very high	10 Å²	10	59 Å²	59	7%	0.07	29%	0.29	C	S	.	.			trans	-74.2	141.5	172.6	-56.5	0	0	0	0	110.5	D96 I112 M114	D96-S100 VanDerWaalsContact O-CB 3.29Å; D96-S100 WeakPolarHBondContact O-CB 3.44Å; D96-S100 PolarHBondContact O-N 2.91Å; D96-S100 PolarHBondContact O-OG 2.84Å; S100-I112 CarbonylContact C-O 3.51Å; S100-I112 WeakPolarHBondContact CA-O 3.09Å; S100-I112 WeakPolarHBondContact CB-O 3.44Å; S100-M114 PolarHBondContact OG-N 3.07Å
101	Q	95.8	Very high	96.5	Very high	103 Å²	103	52.7 Å²	52.7	48%	0.481	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	157.5	-171.3	60.6	-179	-18.2	0	0	112.8	I103 I112	Q101-I103 HydrophobicContact CG-CG1 4.4Å; Q101-I112 HydrophobicContact CG-CB 4.06Å; Q101-I112 HydrophobicContact CG-CG1 4.34Å; Q101-I112 PolarHBondContact N-O 3.18Å; Q101-I112 PolarHBondContact O-N 2.98Å
102	L	97	Very high	96.5	Very high	45 Å²	45	52.7 Å²	52.7	24%	0.236	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.8	170.6	-176.9	150.2	0	0	0	109.5	I60 F62 F71 V104 V109 E110 I111	I60-L102 HydrophobicContact CD1-CD2 4.48Å; I60-L102 HydrophobicContact CG2-CD1 3.67Å; I60-L102 HydrophobicContact CG2-CD2 4.23Å; F62-L102 HydrophobicContact CB-CD1 3.6Å; F62-L102 HydrophobicContact CD1-CB 3.73Å; F62-L102 HydrophobicContact CD1-CD1 4.19Å; F62-L102 HydrophobicContact CD2-CD1 4.01Å; F62-L102 HydrophobicContact CE1-CB 4.04Å; F62-L102 HydrophobicContact CG-CB 4.11Å; F62-L102 HydrophobicContact CG-CD1 3.68Å; F71-L102 HydrophobicContact CD2-CD1 3.85Å; F71-L102 HydrophobicContact CE2-CD1 4.13Å; L102-V104 HydrophobicContact CD2-CG2 3.63Å; L102-V109 HydrophobicContact CD1-CG1 3.77Å; L102-V109 HydrophobicContact CD2-CG1 3.85Å; L102-V109 HydrophobicContact CG-CG1 3.63Å; L102-E110 CarbonylContact C-O 3.58Å; L102-E110 WeakPolarHBondContact CA-O 2.96Å; L102-I111 HydrophobicContact CD1-CG1 4.33Å
103	I	96.4	Very high	96.7	Very high	42 Å²	42	51 Å²	51	22%	0.215	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.9	179.8	-54.6	171	0	0	0	108	Q101 R105 E110 I112	Q101-I103 HydrophobicContact CG-CG1 4.4Å; I103-R105 HydrophobicContact CG2-CG 4.39Å; I103-E110 HydrophobicContact CB-CB 4.25Å; I103-E110 PolarHBondContact N-O 3.2Å; I103-E110 PolarHBondContact O-N 3.47Å; I103-I112 HydrophobicContact CD1-CG1 4.11Å
104	V	97.3	Very high	96.8	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.6	175.2	-171.7	0	0	0	0	109.7	L35 K53 A55 I60 L102	L35-V104 HydrophobicContact CD2-CG1 4.08Å; K53-V104 HydrophobicContact CB-CB 4.32Å; K53-V104 WeakPolarHBondContact CB-O 3.31Å; K53-V104 VanDerWaalsContact CD-O 3.31Å; K53-V104 WeakPolarHBondContact CD-O 3.34Å; A55-V104 HydrophobicContact CB-CG1 4.34Å; I60-V104 HydrophobicContact CD1-CG1 4.42Å; I60-V104 HydrophobicContact CD1-CG2 3.68Å; L102-V104 HydrophobicContact CD2-CG2 3.63Å
105	R	96.2	Very high	96.9	Very high	102 Å²	102	45.8 Å²	45.8	39%	0.385	22%	0.216	S	C	.	.			trans	-122.1	172.9	171.4	-59.2	-166.4	-174.6	-70.5	-9.8	109.8	L35 I103 A108 E110	L35-R105 WeakPolarHBondContact CD2-O 3.4Å; I103-R105 HydrophobicContact CG2-CG 4.39Å; R105-A108 CarbonylContact C-O 3.58Å; R105-A108 WeakPolarHBondContact CA-O 3.42Å; R105-A108 PolarHBondContact N-O 3.33Å; R105-E110 WeakPolarHBondContact CD-OE1 3.43Å; R105-E110 IonicContact CZ-OE1 2.68Å; R105-E110 IonicContact CZ-OE2 3.45Å; R105-E110 IonicContact NE-OE1 2.88Å; R105-E110 PolarHBondContact NE-OE1 2.98Å; R105-E110 IonicContact NE-OE2 3.75Å; R105-E110 PolarHBondContact NE-OE2 2.76Å; R105-E110 IonicContact NH2-OE1 3.21Å; R105-E110 IonicContact NH2-OE2 3.87Å; R105-E110 PolarHBondContact NH2-OE2 3.35Å; R105-E110 VanDerWaalsContact NH2-OE2 3.09Å
106	D	96.7	Very high	96.9	Very high	89 Å²	89	49.2 Å²	49.2	48%	0.476	24%	0.238	S	C	.	.	S	Bend	trans	-68.7	138.4	165.2	-59.7	-17.7	0	0	0	107.7	L35 S37 A108	L35-D106 WeakPolarHBondContact O-CA 2.97Å; S37-D106 WeakPolarHBondContact CB-OD1 3.29Å; S37-D106 PolarHBondContact N-OD1 2.83Å; S37-D106 PolarHBondContact OG-OD1 3.02Å; D106-A108 PolarHBondContact O-N 2.79Å
107	D	97.7	Very high	96.8	Very high	77 Å²	77	50.8 Å²	50.8	41%	0.412	25%	0.246	S	C	.	.	S	Bend	trans	61.3	-2	-177.9	-58.8	-51.3	0	0	0	117.5	Q31 I32 G34 L35	Q31-D107 PolarHBondContact OE1-O 3.21Å; I32-D107 CarbonylContact C-O 3.54Å; I32-D107 VanDerWaalsContact C-O 3.32Å; I32-D107 PolarHBondContact N-O 2.9Å; I32-D107 CarbonylContact O-C 3.45Å; I32-D107 VanDerWaalsContact O-CA 3.29Å; I32-D107 WeakPolarHBondContact O-CA 3.33Å; G34-D107 WeakPolarHBondContact CA-OD1 3.35Å; G34-D107 PolarHBondContact N-OD1 2.74Å; L35-D107 PolarHBondContact O-N 2.87Å
108	A	97.8	Very high	96.9	Very high	9 Å²	9	53.4 Å²	53.4	7%	0.074	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	157.4	-177.8	0	0	0	0	0	114.7	T29 I30 R105 D106	T29-A108 HydrophobicContact CG2-CB 4.17Å; I30-A108 CarbonylContact O-C 3.56Å; I30-A108 VanDerWaalsContact O-CA 3.28Å; I30-A108 WeakPolarHBondContact O-CA 3.14Å; R105-A108 CarbonylContact C-O 3.58Å; R105-A108 WeakPolarHBondContact CA-O 3.42Å; R105-A108 PolarHBondContact N-O 3.33Å; D106-A108 PolarHBondContact O-N 2.79Å
109	V	98.2	Very high	97	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.5	165.7	178.1	0	0	0	0	108.8	I30 I32 L35 I60 F71 L102	I30-V109 HydrophobicContact CB-CB 4.46Å; I30-V109 PolarHBondContact N-O 2.91Å; I30-V109 PolarHBondContact O-N 3.04Å; I32-V109 HydrophobicContact CD1-CG2 4.08Å; L35-V109 HydrophobicContact CD2-CG2 3.71Å; I60-V109 HydrophobicContact CD1-CG2 3.69Å; F71-V109 HydrophobicContact CE2-CB 4.27Å; F71-V109 HydrophobicContact CE2-CG1 3.87Å; F71-V109 HydrophobicContact CE2-CG2 4.27Å; F71-V109 HydrophobicContact CZ-CB 4.39Å; F71-V109 HydrophobicContact CZ-CG1 4.46Å; F71-V109 HydrophobicContact CZ-CG2 4.29Å; L102-V109 HydrophobicContact CD1-CG1 3.77Å; L102-V109 HydrophobicContact CD2-CG1 3.85Å; L102-V109 HydrophobicContact CG-CG1 3.63Å
110	E	98.1	Very high	97	Very high	23 Å²	23	43.6 Å²	43.6	11%	0.107	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.2	172.3	-64.8	172.7	-172.6	0	0	109.7	R27 I28 T29 L102 I103 R105	R27-E110 IonicContact NE-OE2 3.92Å; I28-E110 CarbonylContact O-C 3.48Å; I28-E110 WeakPolarHBondContact O-CA 3.11Å; T29-E110 HydrophobicContact CG2-CG 4.47Å; L102-E110 CarbonylContact C-O 3.58Å; L102-E110 WeakPolarHBondContact CA-O 2.96Å; I103-E110 HydrophobicContact CB-CB 4.25Å; I103-E110 PolarHBondContact N-O 3.2Å; I103-E110 PolarHBondContact O-N 3.47Å; R105-E110 WeakPolarHBondContact CD-OE1 3.43Å; R105-E110 IonicContact CZ-OE1 2.68Å; R105-E110 IonicContact CZ-OE2 3.45Å; R105-E110 IonicContact NE-OE1 2.88Å; R105-E110 PolarHBondContact NE-OE1 2.98Å; R105-E110 IonicContact NE-OE2 3.75Å; R105-E110 PolarHBondContact NE-OE2 2.76Å; R105-E110 IonicContact NH2-OE1 3.21Å; R105-E110 IonicContact NH2-OE2 3.87Å; R105-E110 PolarHBondContact NH2-OE2 3.35Å; R105-E110 VanDerWaalsContact NH2-OE2 3.09Å
111	I	98.4	Very high	97	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.8	166.9	-57.9	170.4	0	0	0	106.9	R27 I28 I30 F62 F69 F71 L102 L113	R27-I111 CarbonylContact C-O 3.55Å; R27-I111 WeakPolarHBondContact CA-O 3.15Å; I28-I111 HydrophobicContact CB-CB 4.26Å; I28-I111 PolarHBondContact N-O 2.62Å; I28-I111 PolarHBondContact O-N 2.79Å; I30-I111 HydrophobicContact CD1-CD1 3.85Å; F62-I111 HydrophobicContact CD2-CD1 4.32Å; F62-I111 HydrophobicContact CE2-CD1 3.96Å; F62-I111 HydrophobicContact CE2-CG1 4.2Å; F62-I111 HydrophobicContact CE2-CG2 3.78Å; F62-I111 HydrophobicContact CZ-CG2 3.67Å; F69-I111 HydrophobicContact CD2-CD1 3.98Å; F69-I111 HydrophobicContact CE2-CD1 3.61Å; F69-I111 HydrophobicContact CZ-CD1 4.24Å; F71-I111 HydrophobicContact CB-CD1 3.92Å; F71-I111 HydrophobicContact CD2-CD1 4.32Å; F71-I111 HydrophobicContact CG-CD1 4.23Å; L102-I111 HydrophobicContact CD1-CG1 4.33Å; I111-L113 HydrophobicContact CG2-CD2 3.52Å; I111-L113 HydrophobicContact CG2-CG 3.97Å
112	I	98	Very high	96.9	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.046	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	111.8	174.2	-50.7	-58.7	0	0	0	107.5	L21 R27 S100 Q101 I103	L21-I112 HydrophobicContact CD1-CD1 4.1Å; R27-I112 HydrophobicContact CB-CD1 3.63Å; R27-I112 HydrophobicContact CG-CD1 3.63Å; S100-I112 CarbonylContact C-O 3.51Å; S100-I112 WeakPolarHBondContact CA-O 3.09Å; S100-I112 WeakPolarHBondContact CB-O 3.44Å; Q101-I112 HydrophobicContact CG-CB 4.06Å; Q101-I112 HydrophobicContact CG-CG1 4.34Å; Q101-I112 PolarHBondContact N-O 3.18Å; Q101-I112 PolarHBondContact O-N 2.98Å; I103-I112 HydrophobicContact CD1-CG1 4.11Å
113	L	98.2	Very high	96.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	136.2	175.1	-55.7	-175.8	0	0	0	109.8	K25 L26 I28 L64 F69 L91 L95 I111 W121	K25-L113 WeakPolarHBondContact CA-O 3.32Å; L26-L113 HydrophobicContact CB-CB 4.48Å; L26-L113 PolarHBondContact N-O 2.92Å; L26-L113 PolarHBondContact O-N 2.76Å; I28-L113 HydrophobicContact CD1-CD1 3.88Å; I28-L113 HydrophobicContact CD1-CG 4.36Å; L64-L113 HydrophobicContact CD2-CD2 3.64Å; F69-L113 HydrophobicContact CD1-CD1 3.74Å; F69-L113 HydrophobicContact CD1-CD2 4.42Å; F69-L113 HydrophobicContact CE1-CD1 3.84Å; L91-L113 HydrophobicContact CD1-CD1 3.54Å; L95-L113 HydrophobicContact CD1-CD2 4.34Å; L95-L113 HydrophobicContact CD2-CB 4.05Å; L95-L113 HydrophobicContact CD2-CD1 4.43Å; I111-L113 HydrophobicContact CG2-CD2 3.52Å; I111-L113 HydrophobicContact CG2-CG 3.97Å; L113-W121 HydrophobicContact CB-CH2 4.48Å; L113-W121 HydrophobicContact CB-CZ2 4.2Å
114	M	97.8	Very high	96.8	Very high	17 Å²	17	39.7 Å²	39.7	8%	0.084	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.5	173.8	-64.1	-155.6	57.9	0	0	109.6	K25 L95 D96 R99 S100	K25-M114 HydrophobicContact CD-CE 4.19Å; K25-M114 HydrophobicContact CD-SD 4.36Å; K25-M114 VanDerWaalsContact CE-SD 3.54Å; K25-M114 HydrophobicContact CG-CE 3.87Å; K25-M114 HydrophobicContact CG-CG 4.04Å; K25-M114 HydrophobicContact CG-SD 4.25Å; L95-M114 WeakPolarHBondContact CA-O 3.49Å; D96-M114 HydrophobicContact CB-CB 4.38Å; D96-M114 PolarHBondContact N-O 3.04Å; R99-M114 HydrophobicContact CB-CB 4.24Å; R99-M114 HydrophobicContact CB-CG 4.21Å; R99-M114 HydrophobicContact CB-SD 3.65Å; R99-M114 VanDerWaalsContact NH1-CE 3.33Å; S100-M114 PolarHBondContact OG-N 3.07Å
115	K	97.7	Very high	96.6	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.009	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-77.8	155.6	168.2	-55.7	-172.1	-168	-169.8	0	111.1	N24 P92 I94 R99 S119 S120 W121	N24-K115 HydrophobicContact CB-CB 4.38Å; N24-K115 PolarHBondContact O-N 2.8Å; N24-K115 VanDerWaalsContact O-N 3.14Å; P92-K115 WeakPolarHBondContact O-CD 3.37Å; P92-K115 WeakPolarHBondContact O-CE 3.38Å; P92-K115 PolarHBondContact O-NZ 2.96Å; I94-K115 CarbonylContact O-C 3.49Å; I94-K115 VanDerWaalsContact O-CA 3.28Å; I94-K115 WeakPolarHBondContact O-CA 3.41Å; R99-K115 PolarHBondContact NH2-O 2.91Å; K115-S119 WeakPolarHBondContact CD-OG 3.28Å; K115-S119 PolarHBondContact NZ-OG 2.81Å; K115-S120 PolarHBondContact NZ-O 3.01Å; K115-W121 HydrophobicContact CD-CZ2 4.04Å; K115-W121 VanDerWaalsContact CE-CD2 3.42Å; K115-W121 HydrophobicContact CG-CH2 4.04Å; K115-W121 HydrophobicContact CG-CZ2 3.32Å
116	T	97	Very high	96.5	Very high	77 Å²	77	44.1 Å²	44.1	47%	0.472	26%	0.259	S	S	.	.	S	Bend	trans	-70.5	-25.9	169.7	56.2	0	0	0	0	112	I94 D96	I94-T116 HydrophobicContact CB-CG2 4.4Å; I94-T116 HydrophobicContact CG2-CG2 4.06Å; I94-T116 PolarHBondContact O-N 2.8Å; I94-T116 PolarHBondContact O-OG1 2.85Å; D96-T116 HydrophobicContact CB-CG2 4.05Å
117	D	95.9	Very high	96.4	Very high	66 Å²	66	47.7 Å²	47.7	35%	0.353	27%	0.273	S	S	.	.	S	Bend	trans	-102.3	-179.1	173.4	62.7	43	0	0	0	112.2	N24 S119	N24-D117 VanDerWaalsContact CB-O 3.27Å; N24-D117 WeakPolarHBondContact CB-O 3.27Å; N24-D117 PolarHBondContact ND2-O 2.92Å; N24-D117 VanDerWaalsContact ND2-O 3.12Å; D117-S119 WeakPolarHBondContact OD1-CB 3.16Å; D117-S119 PolarHBondContact OD1-N 3.45Å; D117-S119 PolarHBondContact OD1-OG 3.21Å
118	D	95.4	Very high	96.2	Very high	131 Å²	131	45.2 Å²	45.2	70%	0.701	27%	0.266	S	S	*	.			trans	-97.4	15.8	178.8	-67.9	-38.7	0	0	0	113.2	T23 N24	T23-D118 WeakPolarHBondContact CG2-O 3.39Å; N24-D118 PolarHBondContact ND2-OD1 2.66Å
119	S	96	Very high	96.2	Very high	47 Å²	47	45.6 Å²	45.6	33%	0.329	27%	0.266	S	S	.	.			trans	-69.3	148.3	-177.9	71.1	0	0	0	0	112.4	K115 D117	K115-S119 WeakPolarHBondContact CD-OG 3.28Å; K115-S119 PolarHBondContact NZ-OG 2.81Å; D117-S119 WeakPolarHBondContact OD1-CB 3.16Å; D117-S119 PolarHBondContact OD1-N 3.45Å; D117-S119 PolarHBondContact OD1-OG 3.21Å
120	S	95.5	Very high	96	Very high	59 Å²	59	49.9 Å²	49.9	41%	0.413	29%	0.286	S	S	.	.			trans	-71.4	154.1	-177.2	-172.9	0	0	0	0	113.3	T23 K115 S122	T23-S120 WeakPolarHBondContact O-CA 3.48Å; K115-S120 PolarHBondContact NZ-O 3.01Å; S120-S122 VanDerWaalsContact C-N 3.35Å; S120-S122 PolarHBondContact OG-N 3.01Å
121	W	96.4	Very high	95.8	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	29%	0.291	C	S	.	.			trans	-91.2	10.4	169.4	-70.6	102.2	0	0	0	113.5	T19 N24 K25 L26 L91 P92 L95 L113 K115 S123 V124 M125	T19-W121 HydrophobicContact CG2-CB 3.72Å; T19-W121 HydrophobicContact CG2-CG 4.5Å; N24-W121 VanDerWaalsContact C-CD1 3.5Å; N24-W121 PolarHBondContact O-NE1 2.94Å; K25-W121 VanDerWaalsContact C-CD1 3.44Å; L26-W121 HydrophobicContact CB-CD2 3.71Å; L26-W121 HydrophobicContact CB-CE3 4.25Å; L26-W121 HydrophobicContact CB-CG 3.86Å; L26-W121 HydrophobicContact CB-CZ2 4.29Å; L26-W121 HydrophobicContact CD2-CD2 4.22Å; L26-W121 HydrophobicContact CD2-CE3 3.91Å; L26-W121 HydrophobicContact CD2-CZ3 4.19Å; L91-W121 HydrophobicContact CB-CH2 4.34Å; L91-W121 HydrophobicContact CB-CZ3 4.06Å; L91-W121 HydrophobicContact CD1-CH2 4.36Å; L91-W121 HydrophobicContact CD1-CZ3 4.41Å; L91-W121 HydrophobicContact CD2-CZ3 4.1Å; L91-W121 HydrophobicContact CG-CZ3 4.43Å; P92-W121 HydrophobicContact CG-CE3 3.94Å; P92-W121 HydrophobicContact CG-CZ3 3.99Å; L95-W121 HydrophobicContact CD2-CH2 3.74Å; L95-W121 HydrophobicContact CD2-CZ2 4.03Å; L113-W121 HydrophobicContact CB-CH2 4.48Å; L113-W121 HydrophobicContact CB-CZ2 4.2Å; K115-W121 HydrophobicContact CD-CZ2 4.04Å; K115-W121 VanDerWaalsContact CE-CD2 3.42Å; K115-W121 HydrophobicContact CG-CH2 4.04Å; K115-W121 HydrophobicContact CG-CZ2 3.32Å; W121-S123 VanDerWaalsContact C-N 3.27Å; W121-S123 PolarHBondContact O-N 2.96Å; W121-S123 VanDerWaalsContact O-N 3.16Å; W121-V124 HydrophobicContact CE3-CB 4.29Å; W121-V124 HydrophobicContact CE3-CG2 3.9Å; W121-V124 HydrophobicContact CZ3-CG2 4.24Å; W121-V124 PolarHBondContact O-N 3.34Å; W121-M125 PolarHBondContact O-N 2.8Å; W121-M125 VanDerWaalsContact O-N 3.15Å
122	S	93.7	Very high	95.5	Very high	72 Å²	72	52.7 Å²	52.7	50%	0.503	30%	0.303	S	S	.	.	H	α-helix	trans	-54.4	-35.6	-173.6	54.5	0	0	0	0	115	S120 M125 T126	S120-S122 VanDerWaalsContact C-N 3.35Å; S120-S122 PolarHBondContact OG-N 3.01Å; S122-M125 PolarHBondContact O-N 3.14Å; S122-T126 PolarHBondContact O-N 2.59Å; S122-T126 VanDerWaalsContact O-N 3.13Å; S122-T126 PolarHBondContact O-OG1 2.78Å
123	S	94.2	Very high	94.6	Very high	39 Å²	39	60.1 Å²	60.1	27%	0.273	34%	0.337	S	S	.	.	H	α-helix	trans	-63.4	-45.9	176.3	57.3	0	0	0	0	111.6	W121 M125 T126 E127	W121-S123 VanDerWaalsContact C-N 3.27Å; W121-S123 PolarHBondContact O-N 2.96Å; W121-S123 VanDerWaalsContact O-N 3.16Å; S123-M125 VanDerWaalsContact C-N 3.26Å; S123-M125 PolarHBondContact O-N 3.17Å; S123-T126 PolarHBondContact O-N 2.84Å; S123-E127 WeakPolarHBondContact O-CB 3.46Å; S123-E127 PolarHBondContact O-N 3.3Å
124	V	95.9	Very high	93	Very high	7 Å²	7	64.2 Å²	64.2	4%	0.042	36%	0.36	C	S	.	.	H	α-helix	trans	-61.8	-34.9	175.7	170.7	0	0	0	0	111.8	L17 L26 L91 P92 W121 T126 G128 L129	L17-V124 HydrophobicContact CD1-CG1 3.99Å; L26-V124 HydrophobicContact CD2-CG1 3.88Å; L91-V124 HydrophobicContact CD2-CG2 4.15Å; P92-V124 HydrophobicContact CG-CG2 3.7Å; W121-V124 HydrophobicContact CE3-CB 4.29Å; W121-V124 HydrophobicContact CE3-CG2 3.9Å; W121-V124 HydrophobicContact CZ3-CG2 4.24Å; W121-V124 PolarHBondContact O-N 3.34Å; V124-T126 VanDerWaalsContact C-N 3.26Å; V124-T126 PolarHBondContact O-N 3.36Å; V124-G128 CarbonylContact O-C 3.51Å; V124-G128 WeakPolarHBondContact O-CA 3.17Å; V124-G128 PolarHBondContact O-N 2.96Å; V124-L129 HydrophobicContact CG1-CD2 3.66Å
125	M	94.2	Very high	90.5	Very high	78 Å²	78	71.2 Å²	71.2	38%	0.384	39%	0.392	S	S	.	.	H	α-helix	trans	-69.5	-25.5	176.2	-64	-55.1	-64.8	0	0	113.2	L17 T19 L26 W121 S122 S123	L17-M125 HydrophobicContact CB-CE 3.95Å; L17-M125 HydrophobicContact CB-SD 3.62Å; L17-M125 HydrophobicContact CD1-SD 4.34Å; T19-M125 HydrophobicContact CG2-CG 3.62Å; T19-M125 HydrophobicContact CG2-SD 3.59Å; T19-M125 VanDerWaalsContact CG2-SD 3.59Å; L26-M125 HydrophobicContact CD1-SD 4.05Å; W121-M125 PolarHBondContact O-N 2.8Å; W121-M125 VanDerWaalsContact O-N 3.15Å; S122-M125 PolarHBondContact O-N 3.14Å; S123-M125 VanDerWaalsContact C-N 3.26Å; S123-M125 PolarHBondContact O-N 3.17Å
126	T	93.8	Very high	88	Confident	123 Å²	123	80.7 Å²	80.7	76%	0.755	43%	0.433	S	S	*	.	H	α-helix	trans	-92	-43	-178.8	-52.5	0	0	0	0	111.5	S122 S123 V124	S122-T126 PolarHBondContact O-N 2.59Å; S122-T126 VanDerWaalsContact O-N 3.13Å; S122-T126 PolarHBondContact O-OG1 2.78Å; S123-T126 PolarHBondContact O-N 2.84Å; V124-T126 VanDerWaalsContact C-N 3.26Å; V124-T126 PolarHBondContact O-N 3.36Å
127	E	94.4	Very high	85	Confident	164 Å²	164	89.2 Å²	89.2	77%	0.766	46%	0.464	S	S	*	.	H	α-helix	trans	-93.7	-19.7	-173.2	-63.3	168.9	-152.3	0	0	112.6	S123	S123-E127 WeakPolarHBondContact O-CB 3.46Å; S123-E127 PolarHBondContact O-N 3.3Å
128	G	94.8	Very high	84.5	Confident	26 Å²	26	90.4 Å²	90.4	27%	0.268	47%	0.469	S	S	.	.			trans	83.7	-170.5	-169.5	0	0	0	0	0	112.8	V124	V124-G128 CarbonylContact O-C 3.51Å; V124-G128 WeakPolarHBondContact O-CA 3.17Å; V124-G128 PolarHBondContact O-N 2.96Å
129	L	96.3	Very high	83.9	Confident	16 Å²	16	88.3 Å²	88.3	8%	0.084	46%	0.457	C	S	.	.			trans	-86.7	136.5	174.8	-62.7	174.3	0	0	0	109.4	Y15 L17 L26 I28 L86 V88 L91 V124 I131	Y15-L129 HydrophobicContact CD2-CD1 3.95Å; Y15-L129 HydrophobicContact CE2-CD1 3.55Å; Y15-L129 HydrophobicContact CE2-CG 4.01Å; L17-L129 HydrophobicContact CD1-CG 4.34Å; L17-L129 HydrophobicContact CD2-CD1 3.9Å; L17-L129 HydrophobicContact CD2-CD2 4.26Å; L17-L129 HydrophobicContact CD2-CG 4.03Å; L26-L129 HydrophobicContact CD2-CD2 4.42Å; I28-L129 HydrophobicContact CD1-CD1 4.19Å; I28-L129 HydrophobicContact CD1-CD2 4.42Å; I28-L129 HydrophobicContact CG2-CD1 4.44Å; L86-L129 HydrophobicContact CD2-CD1 4.22Å; V88-L129 HydrophobicContact CG1-CB 4.22Å; V88-L129 HydrophobicContact CG1-CD2 4.24Å; V88-L129 HydrophobicContact CG2-CB 4.11Å; V88-L129 HydrophobicContact CG2-CD1 4.09Å; L91-L129 HydrophobicContact CD2-CD2 3.9Å; V124-L129 HydrophobicContact CG1-CD2 3.66Å; L129-I131 HydrophobicContact CB-CG1 4.28Å; L129-I131 PolarHBondContact O-N 2.88Å; L129-I131 VanDerWaalsContact O-N 3.1Å
130	H	94.9	Very high	83.2	Confident	91 Å²	91	90.6 Å²	90.6	42%	0.421	46%	0.464	S	S	.	.			trans	-78.9	93.5	170.3	-176.4	-73.8	0	0	0	109.3	N89 K90	N89-H130 PolarHBondContact N-O 3.18Å; N89-H130 PolarHBondContact OD1-CE1 3.24Å; N89-H130 VanDerWaalsContact OD1-CE1 3.29Å; N89-H130 PolarHBondContact OD1-ND1 3.07Å; K90-H130 PolarHBondContact NZ-NE2 3.34Å; K90-H130 VanDerWaalsContact NZ-NE2 3.15Å
131	I	94.5	Very high	82.5	Confident	41 Å²	41	92.4 Å²	92.4	21%	0.21	47%	0.467	C	S	.	.	B	Isolated β-bridge	trans	-81.6	129.5	-178	-57.3	173.7	0	0	0	109.5	I12 Y15 L86 H87 L129 E133	I12-I131 HydrophobicContact CD1-CD1 4.44Å; I12-I131 HydrophobicContact CD1-CG2 3.87Å; I12-I131 HydrophobicContact CG1-CG2 4.29Å; I12-I131 HydrophobicContact CG2-CD1 3.88Å; Y15-I131 HydrophobicContact CE1-CD1 3.83Å; L86-I131 HydrophobicContact CD1-CD1 3.76Å; L86-I131 HydrophobicContact CD1-CG1 3.88Å; L86-I131 HydrophobicContact CD1-CG2 4.46Å; H87-I131 CarbonylContact O-C 3.57Å; H87-I131 WeakPolarHBondContact O-CA 3.5Å; L129-I131 HydrophobicContact CB-CG1 4.28Å; L129-I131 PolarHBondContact O-N 2.88Å; L129-I131 VanDerWaalsContact O-N 3.1Å; I131-E133 PolarHBondContact O-N 3.05Å
132	V	90.7	Very high	81.6	Confident	41 Å²	41	98.1 Å²	98.1	25%	0.248	50%	0.496	C	S	.	.			trans	-77.1	113.3	172.3	-175	0	0	0	0	108	H87 N89 N134	H87-V132 HydrophobicContact CB-CB 4.18Å; H87-V132 PolarHBondContact O-N 2.92Å; N89-V132 HydrophobicContact CB-CG2 4.15Å; N89-V132 VanDerWaalsContact CG-CG2 3.44Å; N89-V132 VanDerWaalsContact ND2-CG2 3.27Å; N89-V132 WeakPolarHBondContact ND2-CG2 3.27Å; V132-N134 PolarHBondContact O-N 3.12Å
133	E	79.5	Confident	80.8	Confident	164 Å²	164	99.9 Å²	99.9	77%	0.766	50%	0.496	S	S	*	.			trans	-68.4	128.5	173.1	-65.6	-173.4	171.3	0	0	109.4	I131 E135	I131-E133 PolarHBondContact O-N 3.05Å; E133-E135 PolarHBondContact O-N 2.88Å
134	N	63.7	Low	79.9	Confident	87 Å²	87	104.2 Å²	104.2	47%	0.465	51%	0.512	S	S	.	.			trans	-65.3	104	165.7	-75.3	-33.6	0	0	0	107.1	Q85 V132 K136	Q85-N134 VanDerWaalsContact OE1-CG 3.31Å; Q85-N134 PolarHBondContact OE1-ND2 2.68Å; Q85-N134 PolarHBondContact OE1-OD1 2.94Å; Q85-N134 VanDerWaalsContact OE1-OD1 3.11Å; V132-N134 PolarHBondContact O-N 3.12Å; N134-K136 PolarHBondContact O-N 2.75Å
135	E	46.2	Very low	78.6	Confident	163 Å²	163	111.7 Å²	111.7	76%	0.762	55%	0.548	S	S	*	.			trans	-53.4	108.5	162.7	-70.6	-174	167.7	0	0	106.8	E133 K137	E133-E135 PolarHBondContact O-N 2.88Å; E135-K137 PolarHBondContact O-N 3.04Å
136	K	45.7	Very low	77.3	Confident	202 Å²	202	114.5 Å²	114.5	88%	0.878	56%	0.561	S	S	*	*			trans	-57	104.8	165.9	-69.9	-178.7	178.6	-179.8	0	106.1	N134	N134-K136 PolarHBondContact O-N 2.75Å
137	K	33.4	Very low	75.8	Confident	256 Å²	256	113.7 Å²	113.7	100%	1.113	54%	0.544	S	S	*	.			trans	-90.1	0	163	-79.2	-171	177.7	179.7	0	108.8	E135	E135-K137 PolarHBondContact O-N 3.04Å

Retrieved 137 of 137 residues in 86.9 ms (Link to these results)

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