A0A087YNL4_POEFO Loading...

Vacuolar protein sorting-associated protein 29

Component of the commander complex that is essential for endosomal recycling of transmembrane cargos; the commander complex is composed of the Csubcomplex and the retriever subcomplex. Component of the retriever complex, which is a heterotrimeric complex related to retromer cargo-selective complex (CSC) and essential for retromer-independent retrieval and recycling of numerous cargos. Component of the retromer cargo-selective complex (CSC). The CSC is believed to be the core functional component of retromer or respective retromer complex variants acting to prevent missorting of selected transmembrane cargo proteins into the lysosomal degradation pathway. In the endosomes, retriever complex drives the retrieval and recycling of NxxY-motif-containing cargo proteins by coupling to snx17, a cargo essential for the homeostatic maintenance of numerous cell surface proteins associated with processes that include cell migration, cell adhesion, nutrient supply and cell signaling. The recruitment of the retriever complex to the endosomal membrane involves Cand WASH complexes.

AlphaFold DB , UniProt , Accession A0A087YNL4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 195 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	N	41.3	Very low	45.6	Very low	227 Å²	227	126.1 Å²	126.1	100%	1.214	75%	0.748	S	S	*	*				0	97.1	0	-65.8	-5.2	0	0	0	109.1
2	G	38.2	Very low	48	Very low	81 Å²	81	128 Å²	128	84%	0.835	75%	0.751	S	S	*	*			trans	-169.9	56.9	-177.7	0	0	0	0	0	107.5
3	D	46.4	Very low	50.7	Low	131 Å²	131	124.2 Å²	124.2	70%	0.701	73%	0.733	S	S	*	*			trans	-73	126.9	170.9	-170.3	4.2	0	0	0	108.3	S5	D3-S5 PolarHBondContact OD1-OG 3.33Å
4	N	40.8	Very low	53.8	Low	149 Å²	149	116 Å²	116	80%	0.797	69%	0.686	S	S	*	*			trans	-166.3	62	154	-100.3	-13.4	0	0	0	108.3	I6	N4-I6 PolarHBondContact O-N 3.37Å
5	S	47.5	Very low	56.7	Low	98 Å²	98	110.9 Å²	110.9	69%	0.685	65%	0.653	S	S	*	*			trans	-77.3	90.9	159	50.8	0	0	0	0	109.6	D3	D3-S5 PolarHBondContact OD1-OG 3.33Å
6	I	46.2	Very low	59.2	Low	135 Å²	135	103.9 Å²	103.9	69%	0.692	61%	0.613	S	S	*	*			trans	-149.9	68.1	163.7	-4.6	170.1	0	0	0	112	N4 S8	N4-I6 PolarHBondContact O-N 3.37Å; I6-S8 VanDerWaalsContact C-N 3.29Å
7	N	38.8	Very low	61.5	Low	164 Å²	164	97.8 Å²	97.8	88%	0.877	58%	0.577	S	S	*	*			trans	-94.1	69.4	149.3	-83.5	-22.6	0	0	0	107.9	L9	N7-L9 VanDerWaalsContact C-N 3.29Å; N7-L9 PolarHBondContact O-N 3.19Å
8	S	43	Very low	63.6	Low	89 Å²	89	92.4 Å²	92.4	62%	0.622	55%	0.545	S	S	*	.			trans	-79	88	160	173.6	0	0	0	0	106.5	I6 T10	I6-S8 VanDerWaalsContact C-N 3.29Å; S8-T10 PolarHBondContact O-N 3.17Å
9	L	46.8	Very low	65.4	Low	161 Å²	161	87.6 Å²	87.6	84%	0.843	52%	0.516	S	S	*	.			trans	-63.7	93.1	165.7	-77.3	159.2	0	0	0	106.7	N7 S11	N7-L9 VanDerWaalsContact C-N 3.29Å; N7-L9 PolarHBondContact O-N 3.19Å; L9-S11 PolarHBondContact O-N 3.37Å
10	T	51	Low	67	Low	116 Å²	116	83.2 Å²	83.2	71%	0.712	49%	0.49	S	S	*	.			trans	-61.5	105.1	166.1	43.2	0	0	0	0	106.8	S8 L12	S8-T10 PolarHBondContact O-N 3.17Å; T10-L12 PolarHBondContact O-N 2.9Å; T10-L12 VanDerWaalsContact O-N 3.17Å
11	S	61.3	Low	68.5	Low	36 Å²	36	79.2 Å²	79.2	25%	0.252	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-56.8	123.1	174.1	60.5	0	0	0	0	107.9	L9	L9-S11 PolarHBondContact O-N 3.37Å
12	L	74.2	Confident	71	Confident	149 Å²	149	68.5 Å²	68.5	78%	0.78	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-53.6	145.2	175.9	-69.4	171.4	0	0	0	110.1	T10 A14	T10-L12 PolarHBondContact O-N 2.9Å; T10-L12 VanDerWaalsContact O-N 3.17Å; L12-A14 PolarHBondContact O-N 2.96Å
13	P	84	Confident	73.6	Confident	79 Å²	79	64.7 Å²	64.7	51%	0.513	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-55.8	133.9	175.3	24.3	-33.7	0	0	0	109.8	I168 Q169	P13-I168 WeakPolarHBondContact CA-O 3.38Å; P13-Q169 HydrophobicContact CB-CG 3.84Å
14	A	93.6	Very high	75.8	Confident	9 Å²	9	59.3 Å²	59.3	7%	0.074	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.2	-177.8	0	0	0	0	0	110.5	L12 V90 I168	L12-A14 PolarHBondContact O-N 2.96Å; A14-V90 HydrophobicContact CB-CG1 3.59Å; A14-I168 PolarHBondContact N-O 2.88Å; A14-I168 PolarHBondContact O-N 3.3Å
15	L	96.8	Very high	78.2	Confident	39 Å²	39	55.6 Å²	55.6	20%	0.204	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115.6	173.8	-161.7	71.5	0	0	0	109.5	K43 I44 Q45 H46 L165 M166 D167	L15-K43 HydrophobicContact CD2-CB 4.42Å; L15-K43 WeakPolarHBondContact CD2-O 3.32Å; L15-I44 HydrophobicContact CD2-CG1 4.27Å; L15-Q45 PolarHBondContact O-N 3.19Å; L15-Q45 PolarHBondContact O-OE1 3.3Å; L15-H46 PolarHBondContact O-N 3.25Å; L15-L165 HydrophobicContact CD1-CD1 4.12Å; L15-L165 HydrophobicContact CD1-CD2 3.8Å; L15-L165 HydrophobicContact CD1-CG 3.69Å; L15-L165 HydrophobicContact CD2-CD1 4.1Å; L15-L165 HydrophobicContact CD2-CD2 4.13Å; L15-L165 HydrophobicContact CD2-CG 4.38Å; L15-L165 HydrophobicContact CG-CD1 3.78Å; L15-L165 HydrophobicContact CG-CD2 4.17Å; L15-L165 HydrophobicContact CG-CG 3.95Å; L15-M166 CarbonylContact C-O 3.47Å; L15-M166 WeakPolarHBondContact CA-O 3.5Å; L15-D167 HydrophobicContact CD1-CB 4.25Å
16	V	98.1	Very high	80.1	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.7	-176.7	-175.1	0	0	0	0	109.5	V18 H46 L48 V90 L165 M166 I168	V16-V18 HydrophobicContact CG1-CG2 4.28Å; V16-H46 CarbonylContact C-O 3.5Å; V16-H46 WeakPolarHBondContact CA-O 3.4Å; V16-H46 HydrophobicContact CG1-CB 4.11Å; V16-H46 HydrophobicContact CG2-CB 4.15Å; V16-L48 HydrophobicContact CG1-CD1 3.77Å; V16-L48 HydrophobicContact CG1-CG 3.65Å; V16-V90 HydrophobicContact CG2-CG1 3.89Å; V16-V90 HydrophobicContact CG2-CG2 4.42Å; V16-L165 CarbonylContact O-C 3.57Å; V16-L165 WeakPolarHBondContact O-CA 3.4Å; V16-M166 HydrophobicContact CB-CB 4.26Å; V16-M166 HydrophobicContact CB-CE 3.81Å; V16-M166 HydrophobicContact CG1-CE 3.67Å; V16-M166 HydrophobicContact CG2-CE 4.43Å; V16-M166 PolarHBondContact N-O 3.41Å; V16-M166 PolarHBondContact O-N 3.35Å; V16-I168 HydrophobicContact CG2-CD1 3.94Å
17	L	98.4	Very high	82.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	129.9	172.1	175.7	67.8	0	0	0	109.5	L19 L39 I44 H46 I47 L48 L65 F163 L165	L17-L19 HydrophobicContact CD1-CD2 4.25Å; L17-L19 HydrophobicContact CD2-CD2 3.43Å; L17-L19 VanDerWaalsContact CD2-CD2 3.43Å; L17-L19 HydrophobicContact CG-CD2 3.5Å; L17-L39 HydrophobicContact CD1-CD2 3.66Å; L17-L39 HydrophobicContact CD2-CD2 3.86Å; L17-L39 HydrophobicContact CG-CD2 4.42Å; L17-I44 HydrophobicContact CB-CD1 4.04Å; L17-I44 HydrophobicContact CB-CG1 4.33Å; L17-I44 HydrophobicContact CB-CG2 3.77Å; L17-I44 HydrophobicContact CD2-CD1 3.92Å; L17-I44 HydrophobicContact CG-CD1 4.46Å; L17-H46 PolarHBondContact N-O 2.96Å; L17-I47 HydrophobicContact CB-CG1 4.18Å; L17-I47 HydrophobicContact CD2-CD1 4.28Å; L17-I47 HydrophobicContact CD2-CG1 4.23Å; L17-I47 CarbonylContact O-C 3.57Å; L17-I47 WeakPolarHBondContact O-CA 3.15Å; L17-L48 PolarHBondContact O-N 3.01Å; L17-L65 HydrophobicContact CD2-CD1 4.14Å; L17-F163 HydrophobicContact CD1-CD2 3.48Å; L17-F163 VanDerWaalsContact CD1-CD2 3.48Å; L17-F163 HydrophobicContact CD1-CE2 3.94Å; L17-F163 HydrophobicContact CD1-CG 4.34Å; L17-L165 HydrophobicContact CB-CD1 4.23Å; L17-L165 HydrophobicContact CD1-CD1 4.31Å
18	V	98.6	Very high	84.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.3	177.2	-172	0	0	0	0	109.1	V16 L48 I125 P145 V164 M166	V16-V18 HydrophobicContact CG1-CG2 4.28Å; V18-L48 WeakPolarHBondContact CA-O 3.04Å; V18-L48 HydrophobicContact CG2-CB 4.41Å; V18-I125 HydrophobicContact CG1-CD1 3.93Å; V18-I125 HydrophobicContact CG1-CG2 3.53Å; V18-I125 HydrophobicContact CG2-CD1 3.91Å; V18-P145 HydrophobicContact CG1-CB 4.01Å; V18-P145 HydrophobicContact CG1-CG 4Å; V18-P145 WeakPolarHBondContact O-CB 3.23Å; V18-V164 HydrophobicContact CB-CB 4.06Å; V18-V164 HydrophobicContact CB-CG1 4.27Å; V18-V164 HydrophobicContact CG2-CG1 4.42Å; V18-V164 PolarHBondContact N-O 3.29Å; V18-V164 PolarHBondContact O-N 3.06Å; V18-M166 HydrophobicContact CG2-CE 3.61Å; V18-M166 HydrophobicContact CG2-CG 4.29Å; V18-M166 HydrophobicContact CG2-SD 4.23Å
19	L	98.5	Very high	86.7	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	170.2	179.6	74.5	138	0	0	0	112.4	L17 L22 I47 L48 C49 T50 L62 A148 F163	L17-L19 HydrophobicContact CD1-CD2 4.25Å; L17-L19 HydrophobicContact CD2-CD2 3.43Å; L17-L19 VanDerWaalsContact CD2-CD2 3.43Å; L17-L19 HydrophobicContact CG-CD2 3.5Å; L19-L22 HydrophobicContact CD1-CD1 3.68Å; L19-L22 HydrophobicContact CD1-CD2 4.49Å; L19-I47 HydrophobicContact CD2-CG2 3.92Å; L19-L48 PolarHBondContact N-O 2.95Å; L19-C49 CarbonylContact O-C 3.1Å; L19-C49 WeakPolarHBondContact O-CA 3.34Å; L19-C49 PolarHBondContact O-SG 2.89Å; L19-T50 PolarHBondContact O-N 2.81Å; L19-L62 HydrophobicContact CD1-CD2 4.08Å; L19-L62 HydrophobicContact CD2-CD2 3.96Å; L19-A148 HydrophobicContact CB-CB 4.19Å; L19-A148 HydrophobicContact CD1-CB 4.04Å; L19-F163 HydrophobicContact CB-CB 4.09Å
20	G	97.3	Very high	88.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.			trans	173.1	-160.9	167.4	0	0	0	0	0	111.2	L22 T50 A148	G20-L22 VanDerWaalsContact C-CD1 3.45Å; G20-L22 WeakPolarHBondContact O-CD1 3.42Å; G20-L22 PolarHBondContact O-N 2.94Å; G20-T50 WeakPolarHBondContact CA-OG1 3.35Å; G20-A148 PolarHBondContact O-N 3.03Å; G20-A148 VanDerWaalsContact O-N 3.12Å
21	D	97.1	Very high	90.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.216	C	C	.	.			trans	52.8	42.5	-179.8	-67.3	-47.7	0	0	0	112.1	G51 N52 H99 H128 H130 S147 T149	D21-G51 PolarHBondContact N-O 2.9Å; D21-N52 PolarHBondContact OD1-ND2 3.03Å; D21-N52 VanDerWaalsContact OD1-ND2 3.16Å; D21-H99 IonicContact OD1-CD2 3.31Å; D21-H99 IonicContact OD1-CE1 3.22Å; D21-H99 IonicContact OD1-NE2 3.71Å; D21-H99 PolarHBondContact OD1-NE2 2.6Å; D21-H128 PolarHBondContact OD2-N 3.07Å; D21-H130 IonicContact OD1-CD2 2.73Å; D21-H130 IonicContact OD1-NE2 2.68Å; D21-H130 IonicContact OD2-CD2 3.05Å; D21-S147 WeakPolarHBondContact O-CB 3.46Å; D21-S147 PolarHBondContact O-OG 2.9Å; D21-T149 PolarHBondContact O-OG1 2.92Å
22	L	94.8	Very high	92.4	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	21%	0.21	C	C	.	.			trans	-71.7	-40.5	-178.7	-78.4	69.3	0	0	0	111	L19 G20 I24 N52 L53 A148 T149	L19-L22 HydrophobicContact CD1-CD1 3.68Å; L19-L22 HydrophobicContact CD1-CD2 4.49Å; G20-L22 VanDerWaalsContact C-CD1 3.45Å; G20-L22 WeakPolarHBondContact O-CD1 3.42Å; G20-L22 PolarHBondContact O-N 2.94Å; L22-I24 VanDerWaalsContact C-N 3.29Å; L22-I24 HydrophobicContact CB-CD1 4.16Å; L22-I24 HydrophobicContact CB-CG1 4.15Å; L22-I24 HydrophobicContact CD2-CD1 4.06Å; L22-I24 PolarHBondContact O-N 2.92Å; L22-N52 PolarHBondContact N-O 2.68Å; L22-N52 VanDerWaalsContact N-O 3.09Å; L22-L53 HydrophobicContact CD1-CD2 3.75Å; L22-L53 HydrophobicContact CD2-CD2 3.77Å; L22-L53 HydrophobicContact CG-CD2 4.23Å; L22-A148 HydrophobicContact CD1-CB 4.25Å; L22-T149 WeakPolarHBondContact CA-OG1 3.22Å; L22-T149 HydrophobicContact CB-CG2 4.06Å; L22-T149 HydrophobicContact CG-CG2 4.15Å; L22-T149 WeakPolarHBondContact O-CG2 3.36Å; L22-T149 PolarHBondContact O-OG1 3.31Å
23	H	93.3	Very high	93.4	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.202	C	C	.	.			trans	48.8	45.5	-175.5	-69.6	-78.5	0	0	0	113.6	P25 H26 R27 C28 N52 F76 H130 A151	H23-P25 CarbonylContact O-C 3.37Å; H23-H26 PolarHBondContact O-N 2.72Å; H23-R27 HydrophobicContact CB-CB 3.73Å; H23-R27 HydrophobicContact CB-CG 3.81Å; H23-R27 PolarHBondContact NE2-NH1 3.13Å; H23-R27 PolarHBondContact O-N 2.82Å; H23-C28 PolarHBondContact O-N 2.91Å; H23-N52 PolarHBondContact CE1-ND2 2.83Å; H23-N52 PolarHBondContact N-O 3.22Å; H23-N52 PolarHBondContact NE2-ND2 2.8Å; H23-F76 AromaticContact CE1-CD2 3.56Å; H23-F76 AromaticContact CE1-CG 3.9Å; H23-H130 AromaticContact CD2-CE1 3.59Å; H23-H130 AromaticContact CD2-NE2 3.92Å; H23-H130 AromaticContact NE2-CE1 3.45Å; H23-H130 PolarHBondContact NE2-CE1 2.94Å; H23-H130 AromaticContact NE2-NE2 3.4Å; H23-H130 PolarHBondContact NE2-NE2 3.31Å; H23-A151 HydrophobicContact CB-CB 4.06Å
24	I	92.2	Very high	93.9	Very high	18 Å²	18	34.9 Å²	34.9	9%	0.092	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	122.4	177.2	-61.9	169.3	0	0	0	109.1	L22 C28 C54 T55 T149	L22-I24 VanDerWaalsContact C-N 3.29Å; L22-I24 HydrophobicContact CB-CD1 4.16Å; L22-I24 HydrophobicContact CB-CG1 4.15Å; L22-I24 HydrophobicContact CD2-CD1 4.06Å; L22-I24 PolarHBondContact O-N 2.92Å; I24-C28 WeakPolarHBondContact CA-O 3.25Å; I24-C28 HydrophobicContact CG1-CB 4.44Å; I24-C28 WeakPolarHBondContact CG1-O 3.27Å; I24-C54 WeakPolarHBondContact O-CB 3.34Å; I24-T55 WeakPolarHBondContact O-CG2 3.29Å; I24-T55 PolarHBondContact O-OG1 2.91Å; I24-T55 VanDerWaalsContact O-OG1 3.08Å; I24-T149 HydrophobicContact CD1-CG2 4.04Å; I24-T149 HydrophobicContact CG1-CG2 4.22Å
25	P	91.2	Very high	93.9	Very high	71 Å²	71	34.5 Å²	34.5	46%	0.461	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	cis	-98.8	-0.9	10.3	37.9	-37.3	0	0	0	114.6	H23 R27 C28	H23-P25 CarbonylContact O-C 3.37Å; P25-R27 PolarHBondContact O-N 3.18Å; P25-C28 CarbonylContact C-O 3.6Å; P25-C28 WeakPolarHBondContact CA-O 3.4Å
26	H	86.1	Confident	93.7	Very high	105 Å²	105	36.7 Å²	36.7	49%	0.486	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-37	-165.4	-59.2	-66.4	0	0	0	115.2	H23	H23-H26 PolarHBondContact O-N 2.72Å
27	R	89.2	Confident	93.5	Very high	58 Å²	58	44.7 Å²	44.7	22%	0.219	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-27.8	-178.1	-57	-173.6	-176.6	159.2	13.1	112.7	H23 P25 F76 A151 Y152	H23-R27 HydrophobicContact CB-CB 3.73Å; H23-R27 HydrophobicContact CB-CG 3.81Å; H23-R27 PolarHBondContact NE2-NH1 3.13Å; H23-R27 PolarHBondContact O-N 2.82Å; P25-R27 PolarHBondContact O-N 3.18Å; R27-F76 VanDerWaalsContact NH2-CZ 3.26Å; R27-A151 HydrophobicContact CB-CB 4.07Å; R27-Y152 HydrophobicContact CB-CD1 4.13Å; R27-Y152 HydrophobicContact CB-CE1 3.77Å; R27-Y152 WeakPolarHBondContact CD-O 3.49Å; R27-Y152 HydrophobicContact CG-CD1 4.15Å; R27-Y152 HydrophobicContact CG-CE1 3.5Å; R27-Y152 PolarHBondContact NH1-O 3.22Å
28	C	90	Very high	93.2	Very high	23 Å²	23	48.6 Å²	48.6	16%	0.155	26%	0.255	C	S	.	.			trans	-136.9	149.6	-178.6	-63.4	0	0	0	0	110.3	H23 I24 P25 T149	H23-C28 PolarHBondContact O-N 2.91Å; I24-C28 WeakPolarHBondContact CA-O 3.25Å; I24-C28 HydrophobicContact CG1-CB 4.44Å; I24-C28 WeakPolarHBondContact CG1-O 3.27Å; P25-C28 CarbonylContact C-O 3.6Å; P25-C28 WeakPolarHBondContact CA-O 3.4Å; C28-T149 HydrophobicContact CB-CG2 4.08Å
29	N	87.4	Confident	92.9	Very high	143 Å²	143	49.1 Å²	49.1	77%	0.765	26%	0.258	S	S	*	.	S	Bend	trans	-87.2	-32.6	178.7	-62	-27.7	0	0	0	111.8
30	T	91.4	Very high	92.6	Very high	78 Å²	78	51.7 Å²	51.7	48%	0.479	27%	0.273	S	S	.	.	S	Bend	trans	-167.6	161.4	-173.4	-150.8	0	0	0	0	113.3	K36	T30-K36 VanDerWaalsContact OG1-CE 3.25Å; T30-K36 WeakPolarHBondContact OG1-CE 3.33Å; T30-K36 PolarHBondContact OG1-NZ 2.84Å
31	L	93.6	Very high	92.2	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.026	30%	0.299	C	S	.	.			trans	-63.1	144.7	170.5	-75.1	166.4	0	0	0	111.5	A33 K36 Y61 A148 T149	L31-A33 PolarHBondContact O-N 3.31Å; L31-K36 HydrophobicContact CB-CG 4Å; L31-K36 WeakPolarHBondContact O-CE 3.44Å; L31-Y61 HydrophobicContact CD1-CD1 4.22Å; L31-Y61 HydrophobicContact CD1-CE1 3.45Å; L31-Y61 VanDerWaalsContact CD1-CE1 3.45Å; L31-A148 HydrophobicContact CD2-CB 3.51Å; L31-A148 WeakPolarHBondContact CD2-O 3.32Å; L31-T149 HydrophobicContact CD2-CG2 3.95Å; L31-T149 HydrophobicContact CG-CG2 4.4Å
32	P	95	Very high	91.7	Very high	22 Å²	22	59.3 Å²	59.3	14%	0.143	34%	0.336	C	S	.	.			trans	-52.7	139.9	175.9	-26	32.9	0	0	0	112.9	K34 F35 K36 A148 P161 L180	P32-K34 PolarHBondContact O-N 2.98Å; P32-F35 HydrophobicContact CB-CB 4.48Å; P32-F35 HydrophobicContact CB-CD2 4.36Å; P32-F35 HydrophobicContact CB-CG 4.32Å; P32-F35 HydrophobicContact CG-CD2 4Å; P32-F35 HydrophobicContact CG-CE2 4.39Å; P32-F35 HydrophobicContact CG-CG 4.46Å; P32-F35 WeakPolarHBondContact O-CB 3.37Å; P32-F35 PolarHBondContact O-N 3.13Å; P32-K36 PolarHBondContact O-N 2.78Å; P32-K36 VanDerWaalsContact O-N 3.08Å; P32-A148 WeakPolarHBondContact CD-O 3.18Å; P32-P161 HydrophobicContact CG-CB 3.9Å; P32-P161 HydrophobicContact CG-CG 4.17Å; P32-L180 HydrophobicContact CB-CD2 3.57Å; P32-L180 HydrophobicContact CG-CD2 3.85Å
33	A	93.9	Very high	91.5	Very high	73 Å²	73	65.6 Å²	65.6	60%	0.603	36%	0.364	S	S	*	.	H	α-helix	trans	-58.8	-35.3	-175.4	0	0	0	0	0	112.9	L31 K36 K37	L31-A33 PolarHBondContact O-N 3.31Å; A33-K36 PolarHBondContact O-N 2.73Å; A33-K37 WeakPolarHBondContact O-CG 3.36Å; A33-K37 PolarHBondContact O-N 3.31Å
34	K	95	Very high	91.6	Very high	85 Å²	85	66.3 Å²	66.3	37%	0.37	37%	0.367	S	S	.	.	H	α-helix	trans	-65.6	-37.5	175.7	-66.5	-161.7	179.1	-173.2	0	112	P32 K37 L38 L180 D183 D184 V185	P32-K34 PolarHBondContact O-N 2.98Å; K34-K37 PolarHBondContact O-N 2.95Å; K34-L38 WeakPolarHBondContact O-CG 3.43Å; K34-L38 PolarHBondContact O-N 3.05Å; K34-L180 HydrophobicContact CB-CD1 4.43Å; K34-L180 HydrophobicContact CD-CD1 4.24Å; K34-D183 WeakPolarHBondContact CD-O 3.1Å; K34-D183 WeakPolarHBondContact CE-O 3.45Å; K34-D183 PolarHBondContact NZ-O 3.29Å; K34-D184 IonicContact NZ-OD1 2.74Å; K34-D184 PolarHBondContact NZ-OD1 3.04Å; K34-V185 HydrophobicContact CB-CG2 3.65Å; K34-V185 HydrophobicContact CD-CG2 3.9Å; K34-V185 HydrophobicContact CG-CG2 4.41Å
35	F	95	Very high	91.7	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-68	-44	175.5	-70.7	-2.6	0	0	0	111.9	P32 K37 L38 L39 P161 F163 L180 V185	P32-F35 HydrophobicContact CB-CB 4.48Å; P32-F35 HydrophobicContact CB-CD2 4.36Å; P32-F35 HydrophobicContact CB-CG 4.32Å; P32-F35 HydrophobicContact CG-CD2 4Å; P32-F35 HydrophobicContact CG-CE2 4.39Å; P32-F35 HydrophobicContact CG-CG 4.46Å; P32-F35 WeakPolarHBondContact O-CB 3.37Å; P32-F35 PolarHBondContact O-N 3.13Å; F35-K37 PolarHBondContact O-N 2.89Å; F35-L38 WeakPolarHBondContact O-CB 3.38Å; F35-L38 PolarHBondContact O-N 2.73Å; F35-L39 WeakPolarHBondContact O-CG 3.48Å; F35-L39 PolarHBondContact O-N 3.49Å; F35-P161 HydrophobicContact CE2-CB 3.79Å; F35-P161 HydrophobicContact CZ-CB 4.29Å; F35-P161 WeakPolarHBondContact CZ-O 3.3Å; F35-F163 HydrophobicContact CB-CE1 4.11Å; F35-F163 HydrophobicContact CD1-CD1 4.21Å; F35-F163 AromaticContact CD1-CE1 3.64Å; F35-F163 HydrophobicContact CD1-CE1 3.64Å; F35-F163 AromaticContact CD2-CD1 3.69Å; F35-F163 HydrophobicContact CD2-CD1 3.69Å; F35-F163 AromaticContact CD2-CE1 3.92Å; F35-F163 HydrophobicContact CD2-CE1 3.92Å; F35-F163 HydrophobicContact CE1-CD1 4.26Å; F35-F163 AromaticContact CE1-CE1 3.9Å; F35-F163 HydrophobicContact CE1-CE1 3.9Å; F35-F163 AromaticContact CE2-CD1 3.75Å; F35-F163 HydrophobicContact CE2-CD1 3.75Å; F35-F163 HydrophobicContact CE2-CE1 4.17Å; F35-F163 AromaticContact CG-CD1 3.92Å; F35-F163 HydrophobicContact CG-CD1 3.92Å; F35-F163 AromaticContact CG-CE1 3.64Å; F35-F163 HydrophobicContact CG-CE1 3.64Å; F35-F163 HydrophobicContact CZ-CD1 4.02Å; F35-F163 HydrophobicContact CZ-CE1 4.15Å; F35-L180 HydrophobicContact CE1-CB 4.01Å; F35-L180 HydrophobicContact CZ-CB 3.85Å; F35-V185 HydrophobicContact CD1-CG2 4.28Å; F35-V185 HydrophobicContact CE1-CG1 4.29Å; F35-V185 HydrophobicContact CE1-CG2 4.14Å
36	K	92.5	Very high	92	Very high	85 Å²	85	68.1 Å²	68.1	37%	0.37	37%	0.369	S	S	.	.	H	α-helix	trans	-57.6	-34	175.1	-68.1	-175.1	178.3	-177.4	0	113.4	T30 L31 P32 A33 L38	T30-K36 VanDerWaalsContact OG1-CE 3.25Å; T30-K36 WeakPolarHBondContact OG1-CE 3.33Å; T30-K36 PolarHBondContact OG1-NZ 2.84Å; L31-K36 HydrophobicContact CB-CG 4Å; L31-K36 WeakPolarHBondContact O-CE 3.44Å; P32-K36 PolarHBondContact O-N 2.78Å; P32-K36 VanDerWaalsContact O-N 3.08Å; A33-K36 PolarHBondContact O-N 2.73Å; K36-L38 VanDerWaalsContact C-N 3.31Å
37	K	93	Very high	92.6	Very high	168 Å²	168	63.1 Å²	63.1	73%	0.73	35%	0.346	S	S	*	.	H	α-helix	trans	-70.1	-26.7	175.6	-73	179.1	-179.9	-177	0	113.3	A33 K34 F35	A33-K37 WeakPolarHBondContact O-CG 3.36Å; A33-K37 PolarHBondContact O-N 3.31Å; K34-K37 PolarHBondContact O-N 2.95Å; F35-K37 PolarHBondContact O-N 2.89Å
38	L	92.5	Very high	93	Very high	82 Å²	82	60.4 Å²	60.4	43%	0.429	34%	0.336	S	S	.	.	H	α-helix	trans	-84.5	-37.6	177.8	-65.2	170.5	0	0	0	111.7	K34 F35 K36 V40 Y178 V185	K34-L38 WeakPolarHBondContact O-CG 3.43Å; K34-L38 PolarHBondContact O-N 3.05Å; F35-L38 WeakPolarHBondContact O-CB 3.38Å; F35-L38 PolarHBondContact O-N 2.73Å; K36-L38 VanDerWaalsContact C-N 3.31Å; L38-V40 PolarHBondContact O-N 2.97Å; L38-Y178 HydrophobicContact CD1-CD1 3.83Å; L38-Y178 HydrophobicContact CD1-CE1 4.09Å; L38-V185 HydrophobicContact CD1-CG1 4.04Å; L38-V185 HydrophobicContact CD1-CG2 4.45Å
39	L	92.9	Very high	93.4	Very high	12 Å²	12	59.3 Å²	59.3	6%	0.063	33%	0.328	C	S	.	.			trans	-81.9	81.5	-179.9	-60.9	179.4	0	0	0	110.2	L17 F35 I44 L65 F163	L17-L39 HydrophobicContact CD1-CD2 3.66Å; L17-L39 HydrophobicContact CD2-CD2 3.86Å; L17-L39 HydrophobicContact CG-CD2 4.42Å; F35-L39 WeakPolarHBondContact O-CG 3.48Å; F35-L39 PolarHBondContact O-N 3.49Å; L39-I44 HydrophobicContact CD2-CD1 4.33Å; L39-L65 HydrophobicContact CB-CD1 4.04Å; L39-L65 HydrophobicContact CB-CD2 4.15Å; L39-L65 HydrophobicContact CD1-CD1 4.38Å; L39-L65 WeakPolarHBondContact O-CD2 3.46Å; L39-F163 HydrophobicContact CD2-CD2 4.44Å; L39-F163 HydrophobicContact CD2-CE2 3.92Å; L39-F163 HydrophobicContact CD2-CZ 4.04Å; L39-F163 HydrophobicContact CG-CZ 4.49Å
40	V	90.3	Very high	94	Very high	54 Å²	54	52.5 Å²	52.5	33%	0.327	29%	0.292	S	S	.	.			trans	-107	143.3	178	-63.7	0	0	0	0	111.7	L38 K43	L38-V40 PolarHBondContact O-N 2.97Å; V40-K43 HydrophobicContact CG2-CD 3.88Å; V40-K43 HydrophobicContact CG2-CG 4.4Å
41	P	89.1	Confident	94.2	Very high	83 Å²	83	48.8 Å²	48.8	54%	0.539	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	155.4	177.4	-25.4	34.8	0	0	0	113.9	K43 T64	P41-K43 PolarHBondContact O-N 3.03Å; P41-T64 WeakPolarHBondContact CB-O 3.47Å; P41-T64 VanDerWaalsContact CG-O 3.3Å; P41-T64 WeakPolarHBondContact CG-O 3.36Å
42	G	87.3	Confident	94.3	Very high	77 Å²	77	48.6 Å²	48.6	79%	0.794	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-1	171.2	0	0	0	0	0	115.7
43	K	90.2	Very high	94.1	Very high	134 Å²	134	47.6 Å²	47.6	58%	0.583	26%	0.262	S	S	*	.	S	Bend	trans	-104.2	-36.2	175.3	-65.4	-173.2	179.9	-179.1	0	113.8	L15 V40 P41 Q45	L15-K43 HydrophobicContact CD2-CB 4.42Å; L15-K43 WeakPolarHBondContact CD2-O 3.32Å; V40-K43 HydrophobicContact CG2-CD 3.88Å; V40-K43 HydrophobicContact CG2-CG 4.4Å; P41-K43 PolarHBondContact O-N 3.03Å; K43-Q45 PolarHBondContact O-NE2 3.02Å
44	I	95.4	Very high	93.6	Very high	16 Å²	16	44.3 Å²	44.3	8%	0.082	23%	0.234	C	C	.	.			trans	-92.6	131.5	-173.6	-63.4	154.7	0	0	0	109.1	L15 L17 L39 H46 I47 A66 L165	L15-I44 HydrophobicContact CD2-CG1 4.27Å; L17-I44 HydrophobicContact CB-CD1 4.04Å; L17-I44 HydrophobicContact CB-CG1 4.33Å; L17-I44 HydrophobicContact CB-CG2 3.77Å; L17-I44 HydrophobicContact CD2-CD1 3.92Å; L17-I44 HydrophobicContact CG-CD1 4.46Å; L39-I44 HydrophobicContact CD2-CD1 4.33Å; I44-H46 WeakPolarHBondContact CG2-O 3.24Å; I44-I47 HydrophobicContact CG2-CG1 3.99Å; I44-A66 HydrophobicContact CB-CB 4.4Å; I44-A66 HydrophobicContact CG2-CB 4.07Å; I44-A66 WeakPolarHBondContact O-CB 3.42Å; I44-L165 HydrophobicContact CG1-CD1 4.33Å
45	Q	95.6	Very high	93.2	Very high	84 Å²	84	41.9 Å²	41.9	39%	0.393	23%	0.227	S	C	.	.	S	Bend	trans	-90.3	-41.9	178	-71	71.3	46.3	0	0	111.5	L15 K43	L15-Q45 PolarHBondContact O-N 3.19Å; L15-Q45 PolarHBondContact O-OE1 3.3Å; K43-Q45 PolarHBondContact O-NE2 3.02Å
46	H	96.8	Very high	92.9	Very high	44 Å²	44	48.7 Å²	48.7	20%	0.204	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.9	-177.8	-52.1	-83.1	0	0	0	111.5	L15 V16 L17 I44 D68	L15-H46 PolarHBondContact O-N 3.25Å; V16-H46 CarbonylContact C-O 3.5Å; V16-H46 WeakPolarHBondContact CA-O 3.4Å; V16-H46 HydrophobicContact CG1-CB 4.11Å; V16-H46 HydrophobicContact CG2-CB 4.15Å; L17-H46 PolarHBondContact N-O 2.96Å; I44-H46 WeakPolarHBondContact CG2-O 3.24Å; H46-D68 WeakPolarHBondContact CA-O 3.4Å; H46-D68 IonicContact CE1-OD2 2.85Å; H46-D68 PolarHBondContact CE1-OD2 3.46Å; H46-D68 VanDerWaalsContact CE1-OD2 3.31Å; H46-D68 IonicContact CG-OD2 3.63Å; H46-D68 IonicContact ND1-OD2 3.76Å; H46-D68 PolarHBondContact ND1-OD2 3.19Å
47	I	98.4	Very high	92.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.6	169.9	-60.2	176.5	0	0	0	108.9	L17 L19 I44 L62 L65 A66 D68 V69 H70	L17-I47 HydrophobicContact CB-CG1 4.18Å; L17-I47 HydrophobicContact CD2-CD1 4.28Å; L17-I47 HydrophobicContact CD2-CG1 4.23Å; L17-I47 CarbonylContact O-C 3.57Å; L17-I47 WeakPolarHBondContact O-CA 3.15Å; L19-I47 HydrophobicContact CD2-CG2 3.92Å; I44-I47 HydrophobicContact CG2-CG1 3.99Å; I47-L62 HydrophobicContact CD1-CB 4.19Å; I47-L62 HydrophobicContact CD1-CD2 4.43Å; I47-L62 VanDerWaalsContact CD1-O 3.24Å; I47-L62 WeakPolarHBondContact CD1-O 3.31Å; I47-L62 HydrophobicContact CG2-CD1 4.33Å; I47-L62 HydrophobicContact CG2-CD2 4.43Å; I47-L65 HydrophobicContact CD1-CB 3.78Å; I47-L65 HydrophobicContact CD1-CD1 4.5Å; I47-A66 HydrophobicContact CD1-CB 3.76Å; I47-A66 HydrophobicContact CG1-CB 3.78Å; I47-D68 PolarHBondContact N-O 3.39Å; I47-V69 HydrophobicContact CB-CG1 4.24Å; I47-V69 HydrophobicContact CB-CG2 4.28Å; I47-V69 HydrophobicContact CD1-CG2 4.12Å; I47-V69 HydrophobicContact CG2-CG1 4.33Å; I47-H70 PolarHBondContact O-N 3.28Å
48	L	98.6	Very high	92.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	108.2	173.7	-54	-175	0	0	0	108.6	V16 L17 V18 L19 H70 V88 I95 L97 I125 M166	V16-L48 HydrophobicContact CG1-CD1 3.77Å; V16-L48 HydrophobicContact CG1-CG 3.65Å; L17-L48 PolarHBondContact O-N 3.01Å; V18-L48 WeakPolarHBondContact CA-O 3.04Å; V18-L48 HydrophobicContact CG2-CB 4.41Å; L19-L48 PolarHBondContact N-O 2.95Å; L48-H70 HydrophobicContact CD2-CB 3.76Å; L48-V88 HydrophobicContact CD1-CG2 4.03Å; L48-V88 HydrophobicContact CD2-CG1 4.44Å; L48-V88 HydrophobicContact CD2-CG2 3.82Å; L48-I95 HydrophobicContact CD1-CB 4.42Å; L48-I95 HydrophobicContact CD1-CD1 4.13Å; L48-I95 HydrophobicContact CD1-CG2 3.78Å; L48-L97 HydrophobicContact CB-CD1 4.33Å; L48-L97 HydrophobicContact CB-CD2 4.13Å; L48-I125 HydrophobicContact CB-CD1 4.31Å; L48-I125 HydrophobicContact CD1-CD1 3.64Å; L48-M166 HydrophobicContact CD1-CE 4.3Å
49	C	98.3	Very high	92.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.4	-175.2	-176.2	0	0	0	0	111.8	L19 G51 L62 H70 I71 V72	L19-C49 CarbonylContact O-C 3.1Å; L19-C49 WeakPolarHBondContact O-CA 3.34Å; L19-C49 PolarHBondContact O-SG 2.89Å; C49-G51 PolarHBondContact O-N 2.88Å; C49-L62 HydrophobicContact CB-CD1 4.28Å; C49-H70 PolarHBondContact N-O 3.49Å; C49-I71 HydrophobicContact CB-CB 4.37Å; C49-I71 HydrophobicContact CB-CG1 3.64Å; C49-I71 WeakPolarHBondContact O-CA 3.46Å; C49-V72 PolarHBondContact O-N 2.82Å; C49-V72 VanDerWaalsContact O-N 3.17Å
50	T	98.3	Very high	92.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.			trans	-71.1	-9.5	-179.9	53	0	0	0	0	113.3	L19 G20 V72 L97 H99 I125 P145	L19-T50 PolarHBondContact O-N 2.81Å; G20-T50 WeakPolarHBondContact CA-OG1 3.35Å; T50-V72 VanDerWaalsContact O-CG2 3.3Å; T50-V72 WeakPolarHBondContact O-CG2 3.26Å; T50-L97 HydrophobicContact CG2-CD1 3.96Å; T50-H99 VanDerWaalsContact O-CA 3.24Å; T50-H99 WeakPolarHBondContact O-CA 3.43Å; T50-H99 VanDerWaalsContact O-CB 3.3Å; T50-H99 WeakPolarHBondContact O-CB 3.25Å; T50-H99 PolarHBondContact O-CD2 3.3Å; T50-I125 HydrophobicContact CG2-CG2 3.78Å; T50-P145 HydrophobicContact CG2-CG 4.14Å
51	G	96.6	Very high	92.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	105.9	-162.1	179.4	0	0	0	0	0	112.6	D21 C49 L53 V72 D77	D21-G51 PolarHBondContact N-O 2.9Å; C49-G51 PolarHBondContact O-N 2.88Å; G51-L53 VanDerWaalsContact C-N 3.26Å; G51-L53 PolarHBondContact O-N 3.43Å; G51-V72 WeakPolarHBondContact CA-O 3.39Å; G51-D77 WeakPolarHBondContact CA-OD2 3.43Å
52	N	95.8	Very high	93.1	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.216	C	C	.	.			trans	54.8	43.6	-173.4	-79.8	-15.7	0	0	0	112.1	D21 L22 H23 G74 D75 F76 D77 H99	D21-N52 PolarHBondContact OD1-ND2 3.03Å; D21-N52 VanDerWaalsContact OD1-ND2 3.16Å; L22-N52 PolarHBondContact N-O 2.68Å; L22-N52 VanDerWaalsContact N-O 3.09Å; H23-N52 PolarHBondContact CE1-ND2 2.83Å; H23-N52 PolarHBondContact N-O 3.22Å; H23-N52 PolarHBondContact NE2-ND2 2.8Å; N52-G74 WeakPolarHBondContact OD1-CA 3.23Å; N52-D75 PolarHBondContact ND2-OD1 2.85Å; N52-D75 PolarHBondContact OD1-N 2.77Å; N52-D75 PolarHBondContact OD1-OD1 3.33Å; N52-F76 WeakPolarHBondContact OD1-CB 3.46Å; N52-F76 PolarHBondContact OD1-N 2.67Å; N52-D77 PolarHBondContact N-OD2 3.49Å; N52-H99 PolarHBondContact ND2-CE1 2.86Å; N52-H99 PolarHBondContact ND2-NE2 3.07Å
53	L	90.8	Very high	93.4	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	20%	0.195	C	C	.	.			trans	-76.5	-35	168.1	-65.3	178.2	0	0	0	110.7	L22 G51 T55 L62 I71 D77	L22-L53 HydrophobicContact CD1-CD2 3.75Å; L22-L53 HydrophobicContact CD2-CD2 3.77Å; L22-L53 HydrophobicContact CG-CD2 4.23Å; G51-L53 VanDerWaalsContact C-N 3.26Å; G51-L53 PolarHBondContact O-N 3.43Å; L53-T55 PolarHBondContact O-N 2.79Å; L53-T55 PolarHBondContact O-OG1 2.82Å; L53-L62 HydrophobicContact CD1-CD1 4.05Å; L53-L62 HydrophobicContact CD2-CD1 3.99Å; L53-I71 HydrophobicContact CD1-CD1 3.62Å; L53-I71 HydrophobicContact CD1-CG1 4.06Å; L53-I71 HydrophobicContact CD1-CG2 4.3Å; L53-D77 PolarHBondContact N-OD1 3.06Å
54	C	83.4	Confident	93.7	Very high	4 Å²	4	40.1 Å²	40.1	3%	0.027	19%	0.191	C	C	.	.			trans	63.7	-20.2	-179.9	-54.4	0	0	0	0	115.9	I24 F76 D77	I24-C54 WeakPolarHBondContact O-CB 3.34Å; C54-F76 PolarHBondContact SG-O 3.44Å; C54-D77 PolarHBondContact N-OD1 3.02Å
55	T	85.8	Confident	93.6	Very high	34 Å²	34	39.6 Å²	39.6	21%	0.209	19%	0.188	C	C	.	.	S	Bend	trans	-136	151.5	-176.9	47.4	0	0	0	0	114.1	I24 L53 E57 S58 Y59	I24-T55 WeakPolarHBondContact O-CG2 3.29Å; I24-T55 PolarHBondContact O-OG1 2.91Å; I24-T55 VanDerWaalsContact O-OG1 3.08Å; L53-T55 PolarHBondContact O-N 2.79Å; L53-T55 PolarHBondContact O-OG1 2.82Å; T55-E57 PolarHBondContact O-N 3.4Å; T55-S58 PolarHBondContact O-N 2.92Å; T55-S58 PolarHBondContact OG1-OG 3.4Å; T55-S58 VanDerWaalsContact OG1-OG 3.09Å; T55-Y59 PolarHBondContact O-N 3.43Å
56	K	88.6	Confident	93.6	Very high	144 Å²	144	35.9 Å²	35.9	63%	0.626	17%	0.172	S	C	*	.	H	α-helix	trans	-62	-31.8	171.2	-174.4	178.3	179.1	-67.2	0	112.2	S58 Y59 D60	K56-S58 VanDerWaalsContact C-N 3.35Å; K56-S58 PolarHBondContact O-N 3.12Å; K56-Y59 WeakPolarHBondContact O-CB 3.49Å; K56-Y59 PolarHBondContact O-N 2.8Å; K56-D60 IonicContact NZ-OD1 3.7Å; K56-D60 PolarHBondContact NZ-OD1 3.07Å; K56-D60 IonicContact NZ-OD2 2.97Å; K56-D60 PolarHBondContact NZ-OD2 2.74Å; K56-D60 WeakPolarHBondContact O-CB 3.33Å; K56-D60 VanDerWaalsContact O-CG 3.28Å; K56-D60 PolarHBondContact O-N 2.7Å
57	E	89.6	Confident	93.4	Very high	151 Å²	151	37 Å²	37	71%	0.706	20%	0.195	S	C	*	.	H	α-helix	trans	-61.9	-42.5	178.1	-65	172.4	-178.3	0	0	112	T55 Y59 D60 Y61	T55-E57 PolarHBondContact O-N 3.4Å; E57-Y59 VanDerWaalsContact C-N 3.33Å; E57-Y59 PolarHBondContact O-N 3.35Å; E57-D60 PolarHBondContact O-N 3.2Å; E57-Y61 WeakPolarHBondContact O-CB 3.33Å; E57-Y61 PolarHBondContact O-N 2.97Å
58	S	90.8	Very high	93.3	Very high	8 Å²	8	40.1 Å²	40.1	6%	0.056	21%	0.212	C	C	.	.	H	α-helix	trans	-65.1	-38	175.5	-61.5	0	0	0	0	111.5	T55 K56 L62	T55-S58 PolarHBondContact O-N 2.92Å; T55-S58 PolarHBondContact OG1-OG 3.4Å; T55-S58 VanDerWaalsContact OG1-OG 3.09Å; K56-S58 VanDerWaalsContact C-N 3.35Å; K56-S58 PolarHBondContact O-N 3.12Å; S58-L62 WeakPolarHBondContact O-CG 3.48Å; S58-L62 PolarHBondContact O-N 3.35Å
59	Y	92.4	Very high	93.2	Very high	68 Å²	68	40.8 Å²	40.8	27%	0.267	22%	0.216	S	C	.	.	H	α-helix	trans	-62.5	-50.5	172.6	175.8	-93.6	0	0	0	112.4	T55 K56 E57 Y61 L62 K63 I71	T55-Y59 PolarHBondContact O-N 3.43Å; K56-Y59 WeakPolarHBondContact O-CB 3.49Å; K56-Y59 PolarHBondContact O-N 2.8Å; E57-Y59 VanDerWaalsContact C-N 3.33Å; E57-Y59 PolarHBondContact O-N 3.35Å; Y59-Y61 PolarHBondContact O-N 2.64Å; Y59-L62 PolarHBondContact O-N 3.18Å; Y59-L62 VanDerWaalsContact O-N 3.08Å; Y59-K63 HydrophobicContact CD1-CG 4.29Å; Y59-K63 HydrophobicContact CE1-CG 3.74Å; Y59-K63 PolarHBondContact O-N 3.01Å; Y59-K63 WeakPolarHBondContact OH-CE 3.46Å; Y59-I71 HydrophobicContact CD2-CD1 3.21Å; Y59-I71 HydrophobicContact CE2-CD1 3.49Å; Y59-I71 VanDerWaalsContact CE2-CD1 3.49Å; Y59-I71 HydrophobicContact CG-CD1 4.46Å
60	D	93.6	Very high	93.2	Very high	65 Å²	65	41.8 Å²	41.8	35%	0.348	22%	0.221	S	C	.	.	H	α-helix	trans	-60.8	-38.5	-179.2	-70.1	-20.2	0	0	0	110.1	K56 E57 K63 T64	K56-D60 IonicContact NZ-OD1 3.7Å; K56-D60 PolarHBondContact NZ-OD1 3.07Å; K56-D60 IonicContact NZ-OD2 2.97Å; K56-D60 PolarHBondContact NZ-OD2 2.74Å; K56-D60 WeakPolarHBondContact O-CB 3.33Å; K56-D60 VanDerWaalsContact O-CG 3.28Å; K56-D60 PolarHBondContact O-N 2.7Å; E57-D60 PolarHBondContact O-N 3.2Å; D60-K63 WeakPolarHBondContact O-CB 3.23Å; D60-K63 PolarHBondContact O-N 2.92Å; D60-T64 WeakPolarHBondContact O-CG2 3.49Å; D60-T64 PolarHBondContact O-N 3.08Å
61	Y	93.3	Very high	93.2	Very high	60 Å²	60	42.2 Å²	42.2	24%	0.235	22%	0.223	C	C	.	.	H	α-helix	trans	-57.8	-48.7	171.6	171.5	-100.9	0	0	0	112.3	L31 E57 Y59 K63 T64 L65	L31-Y61 HydrophobicContact CD1-CD1 4.22Å; L31-Y61 HydrophobicContact CD1-CE1 3.45Å; L31-Y61 VanDerWaalsContact CD1-CE1 3.45Å; E57-Y61 WeakPolarHBondContact O-CB 3.33Å; E57-Y61 PolarHBondContact O-N 2.97Å; Y59-Y61 PolarHBondContact O-N 2.64Å; Y61-K63 VanDerWaalsContact C-N 3.26Å; Y61-K63 PolarHBondContact O-N 2.94Å; Y61-T64 WeakPolarHBondContact O-CB 3.47Å; Y61-T64 PolarHBondContact O-N 3.33Å; Y61-T64 PolarHBondContact O-OG1 2.79Å; Y61-L65 HydrophobicContact CD1-CD1 4.44Å; Y61-L65 HydrophobicContact CE1-CD1 3.75Å; Y61-L65 HydrophobicContact CE1-CG 4.43Å
62	L	94.6	Very high	93.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-36.8	177.4	-65.7	-178.2	0	0	0	112.2	L19 I47 C49 L53 S58 Y59 T64 L65 A66 V69	L19-L62 HydrophobicContact CD1-CD2 4.08Å; L19-L62 HydrophobicContact CD2-CD2 3.96Å; I47-L62 HydrophobicContact CD1-CB 4.19Å; I47-L62 HydrophobicContact CD1-CD2 4.43Å; I47-L62 VanDerWaalsContact CD1-O 3.24Å; I47-L62 WeakPolarHBondContact CD1-O 3.31Å; I47-L62 HydrophobicContact CG2-CD1 4.33Å; I47-L62 HydrophobicContact CG2-CD2 4.43Å; C49-L62 HydrophobicContact CB-CD1 4.28Å; L53-L62 HydrophobicContact CD1-CD1 4.05Å; L53-L62 HydrophobicContact CD2-CD1 3.99Å; S58-L62 WeakPolarHBondContact O-CG 3.48Å; S58-L62 PolarHBondContact O-N 3.35Å; Y59-L62 PolarHBondContact O-N 3.18Å; Y59-L62 VanDerWaalsContact O-N 3.08Å; L62-T64 PolarHBondContact O-N 2.81Å; L62-L65 HydrophobicContact CD2-CD1 4.21Å; L62-L65 WeakPolarHBondContact O-CB 3.15Å; L62-L65 PolarHBondContact O-N 2.81Å; L62-A66 PolarHBondContact O-N 2.78Å; L62-V69 HydrophobicContact CB-CG1 4.18Å; L62-V69 HydrophobicContact CD1-CG1 4.49Å
63	K	94.9	Very high	93.3	Very high	80 Å²	80	45.6 Å²	45.6	35%	0.348	24%	0.236	S	C	.	.	H	α-helix	trans	-65.1	-22.5	174.9	-78.9	-71.9	179.7	-174.7	0	114	Y59 D60 Y61 L65 G67 V69	Y59-K63 HydrophobicContact CD1-CG 4.29Å; Y59-K63 HydrophobicContact CE1-CG 3.74Å; Y59-K63 PolarHBondContact O-N 3.01Å; Y59-K63 WeakPolarHBondContact OH-CE 3.46Å; D60-K63 WeakPolarHBondContact O-CB 3.23Å; D60-K63 PolarHBondContact O-N 2.92Å; Y61-K63 VanDerWaalsContact C-N 3.26Å; Y61-K63 PolarHBondContact O-N 2.94Å; K63-L65 VanDerWaalsContact C-N 3.33Å; K63-G67 PolarHBondContact NZ-O 2.75Å; K63-V69 HydrophobicContact CD-CB 4.28Å; K63-V69 HydrophobicContact CD-CG2 3.77Å; K63-V69 HydrophobicContact CG-CG2 4.28Å
64	T	95.4	Very high	93.6	Very high	83 Å²	83	45.5 Å²	45.5	51%	0.509	24%	0.236	S	C	.	.	H	α-helix	trans	-73.2	-26.8	170.9	73.3	0	0	0	0	112.7	P41 D60 Y61 L62	P41-T64 WeakPolarHBondContact CB-O 3.47Å; P41-T64 VanDerWaalsContact CG-O 3.3Å; P41-T64 WeakPolarHBondContact CG-O 3.36Å; D60-T64 WeakPolarHBondContact O-CG2 3.49Å; D60-T64 PolarHBondContact O-N 3.08Å; Y61-T64 WeakPolarHBondContact O-CB 3.47Å; Y61-T64 PolarHBondContact O-N 3.33Å; Y61-T64 PolarHBondContact O-OG1 2.79Å; L62-T64 PolarHBondContact O-N 2.81Å
65	L	94.6	Very high	94.2	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-81.7	-40.3	-176.5	-61	-179.3	0	0	0	112.3	L17 L39 I47 Y61 L62 K63	L17-L65 HydrophobicContact CD2-CD1 4.14Å; L39-L65 HydrophobicContact CB-CD1 4.04Å; L39-L65 HydrophobicContact CB-CD2 4.15Å; L39-L65 HydrophobicContact CD1-CD1 4.38Å; L39-L65 WeakPolarHBondContact O-CD2 3.46Å; I47-L65 HydrophobicContact CD1-CB 3.78Å; I47-L65 HydrophobicContact CD1-CD1 4.5Å; Y61-L65 HydrophobicContact CD1-CD1 4.44Å; Y61-L65 HydrophobicContact CE1-CD1 3.75Å; Y61-L65 HydrophobicContact CE1-CG 4.43Å; L62-L65 HydrophobicContact CD2-CD1 4.21Å; L62-L65 WeakPolarHBondContact O-CB 3.15Å; L62-L65 PolarHBondContact O-N 2.81Å; K63-L65 VanDerWaalsContact C-N 3.33Å
66	A	95.2	Very high	94.5	Very high	6 Å²	6	51.3 Å²	51.3	5%	0.05	26%	0.261	C	S	.	.			trans	-148.5	149.9	177.4	0	0	0	0	0	111.8	I44 I47 L62 V69	I44-A66 HydrophobicContact CB-CB 4.4Å; I44-A66 HydrophobicContact CG2-CB 4.07Å; I44-A66 WeakPolarHBondContact O-CB 3.42Å; I47-A66 HydrophobicContact CD1-CB 3.76Å; I47-A66 HydrophobicContact CG1-CB 3.78Å; L62-A66 PolarHBondContact O-N 2.78Å; A66-V69 WeakPolarHBondContact O-CG2 3.47Å
67	G	92.2	Very high	94.8	Very high	67 Å²	67	44.8 Å²	44.8	69%	0.691	23%	0.233	S	C	*	.	S	Bend	trans	-69.4	-37.8	175.4	0	0	0	0	0	112.7	K63	K63-G67 PolarHBondContact NZ-O 2.75Å
68	D	95.6	Very high	94.6	Very high	66 Å²	66	44.3 Å²	44.3	35%	0.353	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	107.1	-177.5	-162.2	22.5	0	0	0	111.5	H46 I47 H70	H46-D68 WeakPolarHBondContact CA-O 3.4Å; H46-D68 IonicContact CE1-OD2 2.85Å; H46-D68 PolarHBondContact CE1-OD2 3.46Å; H46-D68 VanDerWaalsContact CE1-OD2 3.31Å; H46-D68 IonicContact CG-OD2 3.63Å; H46-D68 IonicContact ND1-OD2 3.76Å; H46-D68 PolarHBondContact ND1-OD2 3.19Å; I47-D68 PolarHBondContact N-O 3.39Å; D68-H70 VanDerWaalsContact CG-NE2 3.3Å; D68-H70 IonicContact OD1-CD2 3.86Å; D68-H70 IonicContact OD1-CE1 2.93Å; D68-H70 IonicContact OD1-NE2 2.6Å; D68-H70 PolarHBondContact OD1-NE2 2.83Å; D68-H70 IonicContact OD2-CE1 3.8Å; D68-H70 IonicContact OD2-NE2 2.97Å; D68-H70 PolarHBondContact OD2-NE2 3.38Å; D68-H70 VanDerWaalsContact OD2-NE2 3.13Å
69	V	97.4	Very high	94.6	Very high	15 Å²	15	46.7 Å²	46.7	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	121.1	-172.3	-176.6	0	0	0	0	109	I47 L62 K63 A66 I71	I47-V69 HydrophobicContact CB-CG1 4.24Å; I47-V69 HydrophobicContact CB-CG2 4.28Å; I47-V69 HydrophobicContact CD1-CG2 4.12Å; I47-V69 HydrophobicContact CG2-CG1 4.33Å; L62-V69 HydrophobicContact CB-CG1 4.18Å; L62-V69 HydrophobicContact CD1-CG1 4.49Å; K63-V69 HydrophobicContact CD-CB 4.28Å; K63-V69 HydrophobicContact CD-CG2 3.77Å; K63-V69 HydrophobicContact CG-CG2 4.28Å; A66-V69 WeakPolarHBondContact O-CG2 3.47Å; V69-I71 HydrophobicContact CG1-CD1 4.03Å; V69-I71 HydrophobicContact CG1-CG1 4.17Å
70	H	98.1	Very high	94.4	Very high	21 Å²	21	49.3 Å²	49.3	10%	0.097	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.6	179.2	-56.1	-102.3	0	0	0	108.5	I47 L48 C49 D68 K86 V88 L97	I47-H70 PolarHBondContact O-N 3.28Å; L48-H70 HydrophobicContact CD2-CB 3.76Å; C49-H70 PolarHBondContact N-O 3.49Å; D68-H70 VanDerWaalsContact CG-NE2 3.3Å; D68-H70 IonicContact OD1-CD2 3.86Å; D68-H70 IonicContact OD1-CE1 2.93Å; D68-H70 IonicContact OD1-NE2 2.6Å; D68-H70 PolarHBondContact OD1-NE2 2.83Å; D68-H70 IonicContact OD2-CE1 3.8Å; D68-H70 IonicContact OD2-NE2 2.97Å; D68-H70 PolarHBondContact OD2-NE2 3.38Å; D68-H70 VanDerWaalsContact OD2-NE2 3.13Å; H70-K86 HydrophobicContact CB-CD 4.11Å; H70-K86 VanDerWaalsContact ND1-CE 3.25Å; H70-K86 WeakPolarHBondContact ND1-CE 3.49Å; H70-K86 PolarHBondContact ND1-NZ 3.38Å; H70-V88 VanDerWaalsContact ND1-CG1 3.27Å; H70-V88 WeakPolarHBondContact ND1-CG1 3.34Å; H70-L97 HydrophobicContact CB-CD2 4.32Å
71	I	97.8	Very high	94.4	Very high	9 Å²	9	53 Å²	53	5%	0.046	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141	177.3	-64.5	152.5	0	0	0	107.2	C49 L53 Y59 V69 Y82 P83	C49-I71 HydrophobicContact CB-CB 4.37Å; C49-I71 HydrophobicContact CB-CG1 3.64Å; C49-I71 WeakPolarHBondContact O-CA 3.46Å; L53-I71 HydrophobicContact CD1-CD1 3.62Å; L53-I71 HydrophobicContact CD1-CG1 4.06Å; L53-I71 HydrophobicContact CD1-CG2 4.3Å; Y59-I71 HydrophobicContact CD2-CD1 3.21Å; Y59-I71 HydrophobicContact CE2-CD1 3.49Å; Y59-I71 VanDerWaalsContact CE2-CD1 3.49Å; Y59-I71 HydrophobicContact CG-CD1 4.46Å; V69-I71 HydrophobicContact CG1-CD1 4.03Å; V69-I71 HydrophobicContact CG1-CG1 4.17Å; I71-Y82 HydrophobicContact CB-CD1 4.43Å; I71-Y82 HydrophobicContact CD1-CE1 4.37Å; I71-Y82 HydrophobicContact CG2-CD1 4.27Å; I71-Y82 HydrophobicContact CG2-CD2 3.84Å; I71-Y82 HydrophobicContact CG2-CE1 4.45Å; I71-Y82 HydrophobicContact CG2-CE2 4.02Å; I71-Y82 HydrophobicContact CG2-CG 3.99Å; I71-P83 WeakPolarHBondContact O-CD 3.36Å
72	V	98.1	Very high	94.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.			trans	-110	157.7	164.5	-64.7	0	0	0	0	109.8	C49 T50 G51 G74 P83 K86 L97	C49-V72 PolarHBondContact O-N 2.82Å; C49-V72 VanDerWaalsContact O-N 3.17Å; T50-V72 VanDerWaalsContact O-CG2 3.3Å; T50-V72 WeakPolarHBondContact O-CG2 3.26Å; G51-V72 WeakPolarHBondContact CA-O 3.39Å; V72-G74 PolarHBondContact O-N 3.36Å; V72-P83 CarbonylContact C-O 3.56Å; V72-P83 WeakPolarHBondContact CA-O 3.33Å; V72-P83 WeakPolarHBondContact CB-O 3.41Å; V72-K86 HydrophobicContact CG1-CB 3.86Å; V72-L97 HydrophobicContact CB-CG 4.43Å; V72-L97 HydrophobicContact CG1-CB 4.12Å; V72-L97 HydrophobicContact CG1-CD2 3.93Å; V72-L97 HydrophobicContact CG1-CG 3.75Å; V72-L97 WeakPolarHBondContact CG1-O 3.13Å; V72-L97 HydrophobicContact CG2-CD1 4.5Å; V72-L97 HydrophobicContact CG2-CD2 4.37Å; V72-L97 HydrophobicContact CG2-CG 3.84Å
73	R	97.9	Very high	94.7	Very high	71 Å²	71	54.6 Å²	54.6	27%	0.268	29%	0.293	S	S	.	.			trans	-75.3	119.2	-173.2	-172.6	164	170.1	-115.6	-4	111.5	D77 P83 E84 H99	R73-D77 HydrophobicContact CG-CB 4.38Å; R73-P83 PolarHBondContact N-O 3.23Å; R73-E84 WeakPolarHBondContact CD-OE1 3.15Å; R73-E84 IonicContact CZ-OE1 3.18Å; R73-E84 IonicContact NH1-OE1 3.93Å; R73-E84 PolarHBondContact NH1-OE1 3.01Å; R73-H99 VanDerWaalsContact O-CB 3.31Å; R73-H99 WeakPolarHBondContact O-CB 3.32Å
74	G	97	Very high	94.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.293	C	S	.	.			trans	-78.3	162.2	164.3	0	0	0	0	0	112.2	N52 V72 F76 D77	N52-G74 WeakPolarHBondContact OD1-CA 3.23Å; V72-G74 PolarHBondContact O-N 3.36Å; G74-F76 PolarHBondContact O-N 2.95Å; G74-D77 WeakPolarHBondContact CA-OD2 3.16Å; G74-D77 PolarHBondContact N-OD2 3.24Å; G74-D77 PolarHBondContact O-N 2.99Å
75	D	94.9	Very high	94.9	Very high	67 Å²	67	54.2 Å²	54.2	36%	0.358	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-22	178.4	58.2	-33.2	0	0	0	113.2	N52 H99 H101	N52-D75 PolarHBondContact ND2-OD1 2.85Å; N52-D75 PolarHBondContact OD1-N 2.77Å; N52-D75 PolarHBondContact OD1-OD1 3.33Å; D75-H99 IonicContact OD1-CE1 3.32Å; D75-H99 PolarHBondContact OD1-CE1 3.49Å; D75-H99 IonicContact OD1-ND1 2.73Å; D75-H99 IonicContact OD1-NE2 3.93Å; D75-H101 HydrophobicContact CB-CB 4.29Å
76	F	93.2	Very high	95.1	Very high	92 Å²	92	57.6 Å²	57.6	40%	0.404	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	6.1	174.4	-69.6	-96	0	0	0	113.7	H23 R27 N52 C54 G74 E78	H23-F76 AromaticContact CE1-CD2 3.56Å; H23-F76 AromaticContact CE1-CG 3.9Å; R27-F76 VanDerWaalsContact NH2-CZ 3.26Å; N52-F76 WeakPolarHBondContact OD1-CB 3.46Å; N52-F76 PolarHBondContact OD1-N 2.67Å; C54-F76 PolarHBondContact SG-O 3.44Å; G74-F76 PolarHBondContact O-N 2.95Å; F76-E78 PolarHBondContact O-N 3.17Å
77	D	93.1	Very high	95.2	Very high	7 Å²	7	60.5 Å²	60.5	4%	0.037	32%	0.319	C	S	.	.			trans	-76.4	121.9	175.4	-79.9	-46.8	0	0	0	111.3	G51 N52 L53 C54 R73 G74 N79 Y82	G51-D77 WeakPolarHBondContact CA-OD2 3.43Å; N52-D77 PolarHBondContact N-OD2 3.49Å; L53-D77 PolarHBondContact N-OD1 3.06Å; C54-D77 PolarHBondContact N-OD1 3.02Å; R73-D77 HydrophobicContact CG-CB 4.38Å; G74-D77 WeakPolarHBondContact CA-OD2 3.16Å; G74-D77 PolarHBondContact N-OD2 3.24Å; G74-D77 PolarHBondContact O-N 2.99Å; D77-N79 VanDerWaalsContact C-N 3.29Å; D77-N79 PolarHBondContact O-N 2.86Å; D77-Y82 HydrophobicContact CB-CD2 4.3Å
78	E	87.1	Confident	95.5	Very high	142 Å²	142	57.9 Å²	57.9	66%	0.664	29%	0.289	S	S	*	.	S	Bend	trans	-69.6	-27.4	176.7	-60.5	-174.8	168.3	0	0	112.5	F76 L80	F76-E78 PolarHBondContact O-N 3.17Å; E78-L80 PolarHBondContact O-N 2.93Å; E78-L80 VanDerWaalsContact O-N 3.14Å
79	N	89.3	Confident	95.6	Very high	58 Å²	58	59.5 Å²	59.5	31%	0.31	30%	0.302	S	S	.	.			trans	-79.2	100.9	-179	-171.8	-4.5	0	0	0	111.2	D77 N81 Y82	D77-N79 VanDerWaalsContact C-N 3.29Å; D77-N79 PolarHBondContact O-N 2.86Å; N79-N81 PolarHBondContact O-N 3.01Å; N79-N81 VanDerWaalsContact OD1-CB 3.31Å; N79-N81 WeakPolarHBondContact OD1-CB 3.3Å; N79-N81 PolarHBondContact OD1-N 3.19Å; N79-N81 PolarHBondContact OD1-ND2 3.45Å; N79-Y82 HydrophobicContact CB-CD2 3.97Å; N79-Y82 HydrophobicContact CB-CE1 4.45Å; N79-Y82 HydrophobicContact CB-CE2 3.64Å; N79-Y82 VanDerWaalsContact ND2-CE1 3.33Å; N79-Y82 WeakPolarHBondContact ND2-CE1 3.5Å; N79-Y82 VanDerWaalsContact ND2-CZ 3.31Å; N79-Y82 PolarHBondContact ND2-OH 3.38Å; N79-Y82 PolarHBondContact O-N 2.84Å
80	L	89.2	Confident	95.5	Very high	122 Å²	122	59.1 Å²	59.1	64%	0.639	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-7.8	179.8	-53.8	-177.5	0	0	0	114.2	E78 Y82	E78-L80 PolarHBondContact O-N 2.93Å; E78-L80 VanDerWaalsContact O-N 3.14Å; L80-Y82 VanDerWaalsContact C-N 3.32Å
81	N	93.7	Very high	95.2	Very high	144 Å²	144	59.7 Å²	59.7	77%	0.77	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.9	179.6	-57.6	-60.7	0	0	0	113	N79	N79-N81 PolarHBondContact O-N 3.01Å; N79-N81 VanDerWaalsContact OD1-CB 3.31Å; N79-N81 WeakPolarHBondContact OD1-CB 3.3Å; N79-N81 PolarHBondContact OD1-N 3.19Å; N79-N81 PolarHBondContact OD1-ND2 3.45Å
82	Y	95.9	Very high	95	Very high	36 Å²	36	64 Å²	64	14%	0.141	33%	0.331	C	S	.	.	S	Bend	trans	-69.2	135.3	174	-61.8	-32.1	0	0	0	109.9	I71 D77 N79 L80	I71-Y82 HydrophobicContact CB-CD1 4.43Å; I71-Y82 HydrophobicContact CD1-CE1 4.37Å; I71-Y82 HydrophobicContact CG2-CD1 4.27Å; I71-Y82 HydrophobicContact CG2-CD2 3.84Å; I71-Y82 HydrophobicContact CG2-CE1 4.45Å; I71-Y82 HydrophobicContact CG2-CE2 4.02Å; I71-Y82 HydrophobicContact CG2-CG 3.99Å; D77-Y82 HydrophobicContact CB-CD2 4.3Å; N79-Y82 HydrophobicContact CB-CD2 3.97Å; N79-Y82 HydrophobicContact CB-CE1 4.45Å; N79-Y82 HydrophobicContact CB-CE2 3.64Å; N79-Y82 VanDerWaalsContact ND2-CE1 3.33Å; N79-Y82 WeakPolarHBondContact ND2-CE1 3.5Å; N79-Y82 VanDerWaalsContact ND2-CZ 3.31Å; N79-Y82 PolarHBondContact ND2-OH 3.38Å; N79-Y82 PolarHBondContact O-N 2.84Å; L80-Y82 VanDerWaalsContact C-N 3.32Å
83	P	97.8	Very high	95	Very high	56 Å²	56	64 Å²	64	36%	0.364	33%	0.331	S	S	.	.			trans	-70.9	147.6	177.7	31.3	-35.9	0	0	0	110.5	I71 V72 R73 Q85	I71-P83 WeakPolarHBondContact O-CD 3.36Å; V72-P83 CarbonylContact C-O 3.56Å; V72-P83 WeakPolarHBondContact CA-O 3.33Å; V72-P83 WeakPolarHBondContact CB-O 3.41Å; R73-P83 PolarHBondContact N-O 3.23Å; P83-Q85 VanDerWaalsContact C-N 3.27Å; P83-Q85 PolarHBondContact O-N 2.85Å
84	E	97.3	Very high	95	Very high	72 Å²	72	64.5 Å²	64.5	34%	0.336	34%	0.335	S	S	.	.	S	Bend	trans	-64.8	-33	176.4	-67.6	-65	149.2	0	0	112.5	R73 H101 Q102	R73-E84 WeakPolarHBondContact CD-OE1 3.15Å; R73-E84 IonicContact CZ-OE1 3.18Å; R73-E84 IonicContact NH1-OE1 3.93Å; R73-E84 PolarHBondContact NH1-OE1 3.01Å; E84-H101 IonicContact OE2-CE1 3.64Å; E84-Q102 PolarHBondContact OE2-NE2 2.79Å
85	Q	97.8	Very high	95.1	Very high	83 Å²	83	64.5 Å²	64.5	39%	0.388	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	153.9	178.2	63.9	-178.1	30	0	0	110.3	P83 L97	P83-Q85 VanDerWaalsContact C-N 3.27Å; P83-Q85 PolarHBondContact O-N 2.85Å; Q85-L97 CarbonylContact C-O 3.58Å; Q85-L97 VanDerWaalsContact CA-O 3.29Å; Q85-L97 WeakPolarHBondContact CA-O 3.32Å
86	K	98.3	Very high	95.3	Very high	76 Å²	76	61.3 Å²	61.3	33%	0.33	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	141.8	176	-162.9	171.5	-172.4	175.9	0	110.4	H70 V72 V88 G96 L97	H70-K86 HydrophobicContact CB-CD 4.11Å; H70-K86 VanDerWaalsContact ND1-CE 3.25Å; H70-K86 WeakPolarHBondContact ND1-CE 3.49Å; H70-K86 PolarHBondContact ND1-NZ 3.38Å; V72-K86 HydrophobicContact CG1-CB 3.86Å; K86-V88 HydrophobicContact CD-CG1 4.23Å; K86-V88 HydrophobicContact CG-CG1 4.15Å; K86-G96 CarbonylContact O-C 3.52Å; K86-L97 PolarHBondContact N-O 3.16Å; K86-L97 PolarHBondContact O-N 3.37Å
87	V	98.6	Very high	95.5	Very high	67 Å²	67	56.9 Å²	56.9	41%	0.406	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.2	167.6	179.7	0	0	0	0	108	I95 L119 V121	V87-I95 WeakPolarHBondContact CA-O 3.37Å; V87-L119 HydrophobicContact CG2-CB 4.23Å; V87-L119 HydrophobicContact CG2-CD2 4.26Å; V87-V121 HydrophobicContact CG1-CG1 3.9Å; V87-V121 HydrophobicContact CG2-CG1 3.96Å
88	V	97.7	Very high	95.8	Very high	12 Å²	12	57 Å²	57	7%	0.073	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150.5	176.2	-58	0	0	0	0	108.9	L48 H70 K86 V90 I95	L48-V88 HydrophobicContact CD1-CG2 4.03Å; L48-V88 HydrophobicContact CD2-CG1 4.44Å; L48-V88 HydrophobicContact CD2-CG2 3.82Å; H70-V88 VanDerWaalsContact ND1-CG1 3.27Å; H70-V88 WeakPolarHBondContact ND1-CG1 3.34Å; K86-V88 HydrophobicContact CD-CG1 4.23Å; K86-V88 HydrophobicContact CG-CG1 4.15Å; V88-V90 HydrophobicContact CG2-CG2 4.49Å; V88-I95 HydrophobicContact CG2-CB 3.8Å; V88-I95 HydrophobicContact CG2-CG2 4.45Å; V88-I95 PolarHBondContact N-O 3.01Å; V88-I95 PolarHBondContact O-N 3.31Å
89	T	96.9	Very high	96.3	Very high	100 Å²	100	50.2 Å²	50.2	61%	0.613	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	123.4	174.1	-58.8	0	0	0	0	108.4	F93	T89-F93 WeakPolarHBondContact CA-O 3.48Å
90	V	95.6	Very high	96.7	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.036	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	117.4	175.4	-175.5	0	0	0	0	107.7	A14 V16 V88 Q92 F93 I95 I168	A14-V90 HydrophobicContact CB-CG1 3.59Å; V16-V90 HydrophobicContact CG2-CG1 3.89Å; V16-V90 HydrophobicContact CG2-CG2 4.42Å; V88-V90 HydrophobicContact CG2-CG2 4.49Å; V90-Q92 PolarHBondContact O-N 3.14Å; V90-F93 PolarHBondContact N-O 2.75Å; V90-F93 PolarHBondContact O-N 2.85Å; V90-F93 VanDerWaalsContact O-N 3.13Å; V90-I95 HydrophobicContact CB-CD1 4.06Å; V90-I95 HydrophobicContact CG2-CD1 4.04Å; V90-I168 HydrophobicContact CB-CD1 3.96Å; V90-I168 HydrophobicContact CG1-CD1 3.8Å
91	G	92.4	Very high	97	Very high	34 Å²	34	44.3 Å²	44.3	35%	0.351	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	-126.3	-170.5	0	0	0	0	0	111.5
92	Q	94.2	Very high	97.1	Very high	99 Å²	99	40.5 Å²	40.5	46%	0.463	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	2.7	178.7	-57.5	-173.9	30.3	0	0	114.1	V90 A170 K194	V90-Q92 PolarHBondContact O-N 3.14Å; Q92-A170 WeakPolarHBondContact CB-O 3.47Å; Q92-A170 WeakPolarHBondContact CG-O 3.29Å; Q92-K194 PolarHBondContact O-NZ 2.89Å
93	F	97.2	Very high	97.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.9	-176	-64.2	-87	0	0	0	111.2	T89 V90 I95 D122 I123 I168 S171 V173 Y192 K194	T89-F93 WeakPolarHBondContact CA-O 3.48Å; V90-F93 PolarHBondContact N-O 2.75Å; V90-F93 PolarHBondContact O-N 2.85Å; V90-F93 VanDerWaalsContact O-N 3.13Å; F93-I95 HydrophobicContact CB-CG1 4.19Å; F93-D122 HydrophobicContact CD1-CB 3.99Å; F93-I123 HydrophobicContact CB-CD1 4.17Å; F93-I123 HydrophobicContact CD1-CD1 3.8Å; F93-I123 HydrophobicContact CD1-CG1 4.01Å; F93-I123 HydrophobicContact CE1-CD1 4.39Å; F93-I123 HydrophobicContact CG-CD1 4.04Å; F93-I168 HydrophobicContact CD2-CG2 3.6Å; F93-I168 HydrophobicContact CE2-CG2 3.89Å; F93-S171 VanDerWaalsContact CZ-C 3.45Å; F93-S171 VanDerWaalsContact CZ-O 3.29Å; F93-S171 WeakPolarHBondContact CZ-O 3.3Å; F93-V173 HydrophobicContact CE1-CG1 4.38Å; F93-V173 HydrophobicContact CE2-CB 4.27Å; F93-V173 HydrophobicContact CZ-CB 4.14Å; F93-V173 HydrophobicContact CZ-CG1 4.2Å; F93-Y192 HydrophobicContact CD1-CE1 4.26Å; F93-Y192 AromaticContact CE1-CD1 3.88Å; F93-Y192 HydrophobicContact CE1-CD1 3.88Å; F93-Y192 AromaticContact CE1-CE1 3.63Å; F93-Y192 HydrophobicContact CE1-CE1 3.63Å; F93-K194 HydrophobicContact CD1-CD 4.44Å; F93-K194 HydrophobicContact CE1-CB 3.82Å; F93-K194 HydrophobicContact CE1-CD 4.43Å; F93-K194 HydrophobicContact CZ-CB 4.22Å
94	K	98.1	Very high	96.8	Very high	81 Å²	81	42.9 Å²	42.9	35%	0.352	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.6	159.5	-72.9	179.6	177.6	178.8	0	108.5	D120 V121 D122 I123	K94-D120 WeakPolarHBondContact CD-O 3.39Å; K94-D120 IonicContact NZ-OD2 3.77Å; K94-D120 PolarHBondContact NZ-OD2 3.25Å; K94-V121 HydrophobicContact CB-CB 4.38Å; K94-V121 HydrophobicContact CB-CG1 4.33Å; K94-D122 PolarHBondContact N-OD2 2.91Å; K94-D122 PolarHBondContact O-N 2.85Å; K94-I123 PolarHBondContact O-N 3.19Å; K94-I123 VanDerWaalsContact O-N 3.12Å
95	I	98.7	Very high	96.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.1	-176.4	-50.4	174.2	0	0	0	108.5	L48 V87 V88 V90 F93 I123 I125 M166 I168	L48-I95 HydrophobicContact CD1-CB 4.42Å; L48-I95 HydrophobicContact CD1-CD1 4.13Å; L48-I95 HydrophobicContact CD1-CG2 3.78Å; V87-I95 WeakPolarHBondContact CA-O 3.37Å; V88-I95 HydrophobicContact CG2-CB 3.8Å; V88-I95 HydrophobicContact CG2-CG2 4.45Å; V88-I95 PolarHBondContact N-O 3.01Å; V88-I95 PolarHBondContact O-N 3.31Å; V90-I95 HydrophobicContact CB-CD1 4.06Å; V90-I95 HydrophobicContact CG2-CD1 4.04Å; F93-I95 HydrophobicContact CB-CG1 4.19Å; I95-I123 CarbonylContact C-O 3.57Å; I95-I123 WeakPolarHBondContact CA-O 3.44Å; I95-I123 HydrophobicContact CG1-CB 4.27Å; I95-I123 HydrophobicContact CG1-CD1 4.33Å; I95-I123 HydrophobicContact CG2-CB 4.24Å; I95-I123 HydrophobicContact CG2-CG2 4.34Å; I95-I125 HydrophobicContact CG2-CD1 3.47Å; I95-I125 VanDerWaalsContact CG2-CD1 3.47Å; I95-I125 HydrophobicContact CG2-CG1 3.85Å; I95-M166 HydrophobicContact CD1-CE 4.06Å; I95-I168 HydrophobicContact CD1-CD1 3.94Å
96	G	98.7	Very high	96.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.1	170.6	0	0	0	0	0	110.1	K86 I123 I125	K86-G96 CarbonylContact O-C 3.52Å; G96-I123 PolarHBondContact N-O 3.26Å; G96-I125 PolarHBondContact O-N 3.31Å
97	L	98.8	Very high	96.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.2	178.6	-175.2	63.2	0	0	0	108.4	L48 T50 H70 V72 Q85 K86 I125	L48-L97 HydrophobicContact CB-CD1 4.33Å; L48-L97 HydrophobicContact CB-CD2 4.13Å; T50-L97 HydrophobicContact CG2-CD1 3.96Å; H70-L97 HydrophobicContact CB-CD2 4.32Å; V72-L97 HydrophobicContact CB-CG 4.43Å; V72-L97 HydrophobicContact CG1-CB 4.12Å; V72-L97 HydrophobicContact CG1-CD2 3.93Å; V72-L97 HydrophobicContact CG1-CG 3.75Å; V72-L97 WeakPolarHBondContact CG1-O 3.13Å; V72-L97 HydrophobicContact CG2-CD1 4.5Å; V72-L97 HydrophobicContact CG2-CD2 4.37Å; V72-L97 HydrophobicContact CG2-CG 3.84Å; Q85-L97 CarbonylContact C-O 3.58Å; Q85-L97 VanDerWaalsContact CA-O 3.29Å; Q85-L97 WeakPolarHBondContact CA-O 3.32Å; K86-L97 PolarHBondContact N-O 3.16Å; K86-L97 PolarHBondContact O-N 3.37Å; L97-I125 HydrophobicContact CD1-CB 3.84Å; L97-I125 HydrophobicContact CD1-CG2 3.65Å
98	I	98.6	Very high	95.9	Very high	8 Å²	8	42 Å²	42	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	154.1	175.4	-170.5	167.6	0	0	0	109.1	Q102 L115 L124 I125 S126	I98-Q102 HydrophobicContact CD1-CB 4.3Å; I98-L115 HydrophobicContact CB-CD2 4.35Å; I98-L115 HydrophobicContact CD1-CD2 3.55Å; I98-L115 HydrophobicContact CG2-CD2 3.81Å; I98-L124 HydrophobicContact CG2-CD1 4.5Å; I98-I125 PolarHBondContact N-O 2.93Å; I98-S126 WeakPolarHBondContact O-CA 3.48Å
99	H	98.3	Very high	95.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.			trans	-67.6	-45.4	172.8	-179.6	-112.9	0	0	0	112	D21 T50 N52 R73 D75 H101 G127 H128	D21-H99 IonicContact OD1-CD2 3.31Å; D21-H99 IonicContact OD1-CE1 3.22Å; D21-H99 IonicContact OD1-NE2 3.71Å; D21-H99 PolarHBondContact OD1-NE2 2.6Å; T50-H99 VanDerWaalsContact O-CA 3.24Å; T50-H99 WeakPolarHBondContact O-CA 3.43Å; T50-H99 VanDerWaalsContact O-CB 3.3Å; T50-H99 WeakPolarHBondContact O-CB 3.25Å; T50-H99 PolarHBondContact O-CD2 3.3Å; N52-H99 PolarHBondContact ND2-CE1 2.86Å; N52-H99 PolarHBondContact ND2-NE2 3.07Å; R73-H99 VanDerWaalsContact O-CB 3.31Å; R73-H99 WeakPolarHBondContact O-CB 3.32Å; D75-H99 IonicContact OD1-CE1 3.32Å; D75-H99 PolarHBondContact OD1-CE1 3.49Å; D75-H99 IonicContact OD1-ND1 2.73Å; D75-H99 IonicContact OD1-NE2 3.93Å; H99-H101 AromaticContact CG-ND1 3.69Å; H99-H101 WeakPolarHBondContact ND1-CB 3.38Å; H99-H101 AromaticContact ND1-CG 3.58Å; H99-H101 AromaticContact ND1-ND1 3.04Å; H99-H101 PolarHBondContact ND1-ND1 2.99Å; H99-G127 CarbonylContact O-C 3.54Å; H99-G127 WeakPolarHBondContact O-CA 3.36Å; H99-G127 PolarHBondContact O-N 3.14Å; H99-H128 AromaticContact CE1-CG 3.94Å; H99-H128 AromaticContact CE1-ND1 3.37Å; H99-H128 PolarHBondContact CE1-ND1 3.27Å; H99-H128 AromaticContact ND1-ND1 3.93Å; H99-H128 PolarHBondContact O-N 3.16Å
100	G	96.3	Very high	95.9	Very high	4 Å²	4	43.1 Å²	43.1	4%	0.041	24%	0.239	C	C	.	.	S	Bend	trans	105.7	-10.6	176.3	0	0	0	0	0	114.3	Q102 V103	G100-Q102 PolarHBondContact O-N 3.35Å; G100-V103 WeakPolarHBondContact O-CB 3.42Å; G100-V103 PolarHBondContact O-N 2.89Å
101	H	96.3	Very high	96	Very high	53 Å²	53	44.2 Å²	44.2	25%	0.245	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.4	171.2	74.6	-93	0	0	0	112.6	D75 E84 H99 V103 H128	D75-H101 HydrophobicContact CB-CB 4.29Å; E84-H101 IonicContact OE2-CE1 3.64Å; H99-H101 AromaticContact CG-ND1 3.69Å; H99-H101 WeakPolarHBondContact ND1-CB 3.38Å; H99-H101 AromaticContact ND1-CG 3.58Å; H99-H101 AromaticContact ND1-ND1 3.04Å; H99-H101 PolarHBondContact ND1-ND1 2.99Å; H101-V103 VanDerWaalsContact C-N 3.31Å; H101-H128 WeakPolarHBondContact CB-ND1 3.45Å
102	Q	95.8	Very high	96.2	Very high	64 Å²	64	43 Å²	43	30%	0.299	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.4	176.4	-50	90	-22.2	0	0	112.9	E84 I98 G100	E84-Q102 PolarHBondContact OE2-NE2 2.79Å; I98-Q102 HydrophobicContact CD1-CB 4.3Å; G100-Q102 PolarHBondContact O-N 3.35Å
103	V	95.1	Very high	96.4	Very high	10 Å²	10	38.4 Å²	38.4	6%	0.061	21%	0.211	C	C	.	.	S	Bend	trans	-88.7	117.4	-178.8	-177.4	0	0	0	0	108.6	G100 H101 P105 W106 L112 L115	G100-V103 WeakPolarHBondContact O-CB 3.42Å; G100-V103 PolarHBondContact O-N 2.89Å; H101-V103 VanDerWaalsContact C-N 3.31Å; V103-P105 CarbonylContact C-O 3.6Å; V103-P105 CarbonylContact O-C 3.54Å; V103-W106 PolarHBondContact O-N 3.18Å; V103-L112 HydrophobicContact CG1-CD2 4.11Å; V103-L112 HydrophobicContact CG1-CG 4.19Å; V103-L112 HydrophobicContact CG2-CD2 4.08Å; V103-L115 HydrophobicContact CG2-CD2 4.29Å
104	I	92.7	Very high	96.4	Very high	132 Å²	132	43.9 Å²	43.9	68%	0.677	24%	0.24	S	C	*	.	S	Bend	trans	-126.1	121.3	-175.6	-55.8	175.4	0	0	0	108.8	S111	I104-S111 PolarHBondContact O-OG 2.87Å
105	P	94.4	Very high	96.4	Very high	82 Å²	82	41 Å²	41	53%	0.532	23%	0.228	S	C	.	.	S	Bend	cis	-68.2	158	-2.1	-18.2	31.7	0	0	0	114	V103 G107 D108	V103-P105 CarbonylContact C-O 3.6Å; V103-P105 CarbonylContact O-C 3.54Å; P105-G107 PolarHBondContact O-N 3.39Å; P105-D108 HydrophobicContact CB-CB 4.07Å; P105-D108 HydrophobicContact CG-CB 4.23Å; P105-D108 VanDerWaalsContact O-CB 3.22Å; P105-D108 WeakPolarHBondContact O-CB 3.48Å; P105-D108 PolarHBondContact O-N 3.47Å
106	W	92	Very high	96.3	Very high	114 Å²	114	41.5 Å²	41.5	43%	0.432	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	125.5	-178.1	-61.1	-9.5	0	0	0	111.3	V103 D108 H128 L155	V103-W106 PolarHBondContact O-N 3.18Å; W106-D108 PolarHBondContact O-N 3.08Å; W106-H128 AromaticContact CD1-CD2 3.97Å; W106-H128 AromaticContact CD1-NE2 3.82Å; W106-H128 AromaticContact CD2-CD2 3.62Å; W106-H128 AromaticContact CD2-NE2 3.16Å; W106-H128 AromaticContact CE2-CD2 3.89Å; W106-H128 AromaticContact CE2-NE2 3.02Å; W106-H128 AromaticContact CE3-CD2 3.98Å; W106-H128 AromaticContact CE3-NE2 3.49Å; W106-H128 AromaticContact CG-CD2 3.74Å; W106-H128 AromaticContact CG-NE2 3.71Å; W106-H128 AromaticContact CH2-NE2 3.6Å; W106-H128 AromaticContact CZ2-CE1 3.9Å; W106-H128 AromaticContact CZ2-NE2 3.27Å; W106-H128 VanDerWaalsContact CZ2-NE2 3.27Å; W106-H128 WeakPolarHBondContact CZ2-NE2 3.43Å; W106-H128 AromaticContact CZ3-NE2 3.7Å; W106-H128 AromaticContact NE1-NE2 3.44Å; W106-H128 PolarHBondContact NE1-NE2 2.76Å; W106-L155 HydrophobicContact CE3-CD1 3.62Å; W106-L155 HydrophobicContact CE3-CG 4.38Å; W106-L155 HydrophobicContact CZ3-CD1 3.74Å; W106-L155 HydrophobicContact CZ3-CG 3.98Å
107	G	91.1	Very high	96.3	Very high	28 Å²	28	47.1 Å²	47.1	29%	0.289	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	10.7	-178.2	0	0	0	0	0	114.4	P105 M109	P105-G107 PolarHBondContact O-N 3.39Å; G107-M109 PolarHBondContact O-N 3.21Å
108	D	95.9	Very high	96.2	Very high	56 Å²	56	53.6 Å²	53.6	30%	0.299	28%	0.282	S	S	.	.			trans	-66.4	128	178.1	173.7	64.2	0	0	0	111.6	P105 W106 A110 S111 L112	P105-D108 HydrophobicContact CB-CB 4.07Å; P105-D108 HydrophobicContact CG-CB 4.23Å; P105-D108 VanDerWaalsContact O-CB 3.22Å; P105-D108 WeakPolarHBondContact O-CB 3.48Å; P105-D108 PolarHBondContact O-N 3.47Å; W106-D108 PolarHBondContact O-N 3.08Å; D108-A110 PolarHBondContact O-N 2.96Å; D108-A110 PolarHBondContact OD2-N 3.38Å; D108-S111 PolarHBondContact O-N 2.93Å; D108-S111 WeakPolarHBondContact OD2-CB 3.36Å; D108-S111 PolarHBondContact OD2-N 2.9Å; D108-S111 PolarHBondContact OD2-OG 2.87Å; D108-L112 WeakPolarHBondContact O-CG 3.39Å; D108-L112 PolarHBondContact O-N 3.09Å
109	M	96.4	Very high	96.2	Very high	63 Å²	63	54.3 Å²	54.3	31%	0.31	29%	0.286	S	S	.	.	H	α-helix	trans	-65.9	-39.5	-174.5	-80.4	-48.8	-49.4	0	0	113.8	G107 S111 L112 A113 F135 N137 Y142	G107-M109 PolarHBondContact O-N 3.21Å; M109-S111 VanDerWaalsContact C-N 3.32Å; M109-L112 PolarHBondContact O-N 2.92Å; M109-L112 HydrophobicContact SD-CD1 4.3Å; M109-A113 VanDerWaalsContact O-CB 3.23Å; M109-A113 WeakPolarHBondContact O-CB 3.31Å; M109-A113 PolarHBondContact O-N 2.89Å; M109-F135 HydrophobicContact CE-CD2 4.45Å; M109-F135 HydrophobicContact CE-CE2 3.27Å; M109-F135 HydrophobicContact CE-CZ 3.59Å; M109-F135 HydrophobicContact SD-CE1 4.15Å; M109-F135 HydrophobicContact SD-CE2 3.41Å; M109-F135 WeakPolarHBondContact SD-CE2 3.47Å; M109-F135 HydrophobicContact SD-CZ 3.12Å; M109-F135 WeakPolarHBondContact SD-CZ 3.3Å; M109-N137 HydrophobicContact CE-CB 4Å; M109-Y142 HydrophobicContact CE-CD2 4.46Å
110	A	96.8	Very high	96.2	Very high	71 Å²	71	58.9 Å²	58.9	59%	0.587	31%	0.311	S	S	*	.	H	α-helix	trans	-65.8	-40.8	179	0	0	0	0	0	110.7	D108 A113 L114	D108-A110 PolarHBondContact O-N 2.96Å; D108-A110 PolarHBondContact OD2-N 3.38Å; A110-A113 PolarHBondContact O-N 2.88Å; A110-L114 WeakPolarHBondContact O-CB 3.44Å; A110-L114 PolarHBondContact O-N 2.91Å
111	S	97.5	Very high	96.3	Very high	30 Å²	30	58.7 Å²	58.7	21%	0.21	31%	0.309	C	S	.	.	H	α-helix	trans	-66.6	-44	177.8	-55.1	0	0	0	0	112.2	I104 D108 M109 L114 L115	I104-S111 PolarHBondContact O-OG 2.87Å; D108-S111 PolarHBondContact O-N 2.93Å; D108-S111 WeakPolarHBondContact OD2-CB 3.36Å; D108-S111 PolarHBondContact OD2-N 2.9Å; D108-S111 PolarHBondContact OD2-OG 2.87Å; M109-S111 VanDerWaalsContact C-N 3.32Å; S111-L114 PolarHBondContact O-N 2.83Å; S111-L115 PolarHBondContact O-N 3.09Å; S111-L115 VanDerWaalsContact O-N 3.07Å
112	L	97.7	Very high	96.3	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-62.5	-42.5	173.3	-71.9	172	0	0	0	111.6	V103 D108 M109 L114 L115 Q116 L124 Y142	V103-L112 HydrophobicContact CG1-CD2 4.11Å; V103-L112 HydrophobicContact CG1-CG 4.19Å; V103-L112 HydrophobicContact CG2-CD2 4.08Å; D108-L112 WeakPolarHBondContact O-CG 3.39Å; D108-L112 PolarHBondContact O-N 3.09Å; M109-L112 PolarHBondContact O-N 2.92Å; M109-L112 HydrophobicContact SD-CD1 4.3Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L112-L114 PolarHBondContact O-N 3.47Å; L112-L115 PolarHBondContact O-N 3.08Å; L112-Q116 WeakPolarHBondContact O-CB 3.48Å; L112-Q116 PolarHBondContact O-N 3.47Å; L112-L124 HydrophobicContact CB-CD2 4.25Å; L112-L124 HydrophobicContact CD2-CD2 4.04Å; L112-L124 VanDerWaalsContact O-CD2 3.3Å; L112-L124 WeakPolarHBondContact O-CD2 3.38Å; L112-Y142 HydrophobicContact CB-CD1 4.17Å; L112-Y142 HydrophobicContact CB-CE1 4.06Å
113	A	97.7	Very high	96.5	Very high	3 Å²	3	53.6 Å²	53.6	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-67.9	-33.4	178.2	0	0	0	0	0	112.4	M109 A110 R117 Y142	M109-A113 VanDerWaalsContact O-CB 3.23Å; M109-A113 WeakPolarHBondContact O-CB 3.31Å; M109-A113 PolarHBondContact O-N 2.89Å; A110-A113 PolarHBondContact O-N 2.88Å; A113-R117 WeakPolarHBondContact O-CG 3.46Å; A113-R117 PolarHBondContact O-N 3.48Å; A113-R117 VanDerWaalsContact O-N 3.16Å; A113-R117 PolarHBondContact O-NH1 3.4Å; A113-Y142 WeakPolarHBondContact CA-OH 3.41Å
114	L	97.3	Very high	96.7	Very high	116 Å²	116	53.1 Å²	53.1	61%	0.607	28%	0.282	S	S	*	.	H	α-helix	trans	-62.9	-46.6	171.8	-178.4	67	0	0	0	110.6	A110 S111 L112 R117 Q118	A110-L114 WeakPolarHBondContact O-CB 3.44Å; A110-L114 PolarHBondContact O-N 2.91Å; S111-L114 PolarHBondContact O-N 2.83Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L112-L114 PolarHBondContact O-N 3.47Å; L114-R117 PolarHBondContact O-N 3.02Å; L114-Q118 WeakPolarHBondContact O-CB 3.34Å; L114-Q118 PolarHBondContact O-N 3.26Å
115	L	97.6	Very high	96.9	Very high	20 Å²	20	46.9 Å²	46.9	11%	0.105	25%	0.25	C	S	.	.	H	α-helix	trans	-64.2	-42.6	178.4	-177.6	63.3	0	0	0	112	I98 V103 S111 L112 R117 Q118 L119 L124	I98-L115 HydrophobicContact CB-CD2 4.35Å; I98-L115 HydrophobicContact CD1-CD2 3.55Å; I98-L115 HydrophobicContact CG2-CD2 3.81Å; V103-L115 HydrophobicContact CG2-CD2 4.29Å; S111-L115 PolarHBondContact O-N 3.09Å; S111-L115 VanDerWaalsContact O-N 3.07Å; L112-L115 PolarHBondContact O-N 3.08Å; L115-R117 VanDerWaalsContact C-N 3.29Å; L115-R117 PolarHBondContact O-N 2.96Å; L115-Q118 PolarHBondContact O-N 3.23Å; L115-L119 HydrophobicContact CD1-CD1 4.03Å; L115-L119 HydrophobicContact CD1-CG 4.07Å; L115-L119 HydrophobicContact CG-CD1 3.99Å; L115-L119 HydrophobicContact CG-CG 4.37Å; L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 2.73Å; L115-L124 HydrophobicContact CB-CD2 4.41Å; L115-L124 HydrophobicContact CD2-CD1 4.35Å; L115-L124 HydrophobicContact CD2-CD2 4.34Å; L115-L124 HydrophobicContact CG-CD2 4.49Å
116	Q	98.1	Very high	97.1	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.047	23%	0.228	C	C	.	.	H	α-helix	trans	-55.7	-45.6	175.5	176.3	-77.9	-49.1	0	0	110.9	L112 L119 D120 V121 L124 K140 Y142	L112-Q116 WeakPolarHBondContact O-CB 3.48Å; L112-Q116 PolarHBondContact O-N 3.47Å; Q116-L119 PolarHBondContact O-N 2.98Å; Q116-D120 PolarHBondContact O-N 3.1Å; Q116-V121 HydrophobicContact CB-CG2 4.48Å; Q116-V121 HydrophobicContact CG-CG2 4Å; Q116-V121 PolarHBondContact NE2-O 2.83Å; Q116-V121 PolarHBondContact O-N 3.28Å; Q116-L124 HydrophobicContact CB-CB 4.31Å; Q116-L124 HydrophobicContact CB-CD2 4.08Å; Q116-K140 HydrophobicContact CG-CB 4.24Å; Q116-K140 HydrophobicContact CG-CG 4.32Å; Q116-Y142 HydrophobicContact CB-CE1 3.93Å; Q116-Y142 HydrophobicContact CG-CE1 4.33Å
117	R	97.7	Very high	97.4	Very high	119 Å²	119	38.1 Å²	38.1	45%	0.449	21%	0.209	S	C	.	.	H	α-helix	trans	-67	-41.2	177	-68.6	178.9	-166.2	99.8	-11.5	112.2	A113 L114 L115 L119 D120 E138	A113-R117 WeakPolarHBondContact O-CG 3.46Å; A113-R117 PolarHBondContact O-N 3.48Å; A113-R117 VanDerWaalsContact O-N 3.16Å; A113-R117 PolarHBondContact O-NH1 3.4Å; L114-R117 PolarHBondContact O-N 3.02Å; L115-R117 VanDerWaalsContact C-N 3.29Å; L115-R117 PolarHBondContact O-N 2.96Å; R117-L119 VanDerWaalsContact C-N 3.28Å; R117-L119 PolarHBondContact O-N 2.91Å; R117-D120 PolarHBondContact O-N 3.43Å; R117-E138 IonicContact CZ-OE2 3.95Å; R117-E138 IonicContact NH2-OE1 3.34Å; R117-E138 PolarHBondContact NH2-OE1 3.19Å; R117-E138 IonicContact NH2-OE2 3.07Å; R117-E138 PolarHBondContact NH2-OE2 3.46Å
118	Q	97.6	Very high	97.7	Very high	136 Å²	136	37.4 Å²	37.4	64%	0.636	20%	0.198	S	C	*	.	H	α-helix	trans	-60.3	-38.7	176.7	-177.7	-177.4	-49.1	0	0	112	L114 L115	L114-Q118 WeakPolarHBondContact O-CB 3.34Å; L114-Q118 PolarHBondContact O-N 3.26Å; L115-Q118 PolarHBondContact O-N 3.23Å
119	L	97.6	Very high	97.6	Very high	23 Å²	23	36.2 Å²	36.2	12%	0.12	19%	0.192	C	C	.	.	H	α-helix	trans	-84.1	-12.5	179.1	-63.1	178.7	0	0	0	113.6	V87 L115 Q116 R117 V121 L124	V87-L119 HydrophobicContact CG2-CB 4.23Å; V87-L119 HydrophobicContact CG2-CD2 4.26Å; L115-L119 HydrophobicContact CD1-CD1 4.03Å; L115-L119 HydrophobicContact CD1-CG 4.07Å; L115-L119 HydrophobicContact CG-CD1 3.99Å; L115-L119 HydrophobicContact CG-CG 4.37Å; L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 2.73Å; Q116-L119 PolarHBondContact O-N 2.98Å; R117-L119 VanDerWaalsContact C-N 3.28Å; R117-L119 PolarHBondContact O-N 2.91Å; L119-V121 HydrophobicContact CB-CG1 3.78Å; L119-V121 HydrophobicContact CB-CG2 4.22Å; L119-V121 WeakPolarHBondContact O-CG1 3.34Å; L119-L124 HydrophobicContact CD1-CD1 4.07Å
120	D	97.8	Very high	97.7	Very high	96 Å²	96	33.4 Å²	33.4	51%	0.513	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	54.8	-174.5	-178.2	47.1	0	0	0	112.4	K94 Q116 R117	K94-D120 WeakPolarHBondContact CD-O 3.39Å; K94-D120 IonicContact NZ-OD2 3.77Å; K94-D120 PolarHBondContact NZ-OD2 3.25Å; Q116-D120 PolarHBondContact O-N 3.1Å; R117-D120 PolarHBondContact O-N 3.43Å
121	V	98.4	Very high	97.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.			trans	-113.7	152.1	-175.7	-61.6	0	0	0	0	112.8	V87 K94 Q116 L119 I123 L124	V87-V121 HydrophobicContact CG1-CG1 3.9Å; V87-V121 HydrophobicContact CG2-CG1 3.96Å; K94-V121 HydrophobicContact CB-CB 4.38Å; K94-V121 HydrophobicContact CB-CG1 4.33Å; Q116-V121 HydrophobicContact CB-CG2 4.48Å; Q116-V121 HydrophobicContact CG-CG2 4Å; Q116-V121 PolarHBondContact NE2-O 2.83Å; Q116-V121 PolarHBondContact O-N 3.28Å; L119-V121 HydrophobicContact CB-CG1 3.78Å; L119-V121 HydrophobicContact CB-CG2 4.22Å; L119-V121 WeakPolarHBondContact O-CG1 3.34Å; V121-I123 WeakPolarHBondContact CG2-O 3.21Å; V121-L124 HydrophobicContact CG2-CB 4.31Å; V121-L124 HydrophobicContact CG2-CD1 4.41Å
122	D	98.2	Very high	97.5	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.053	17%	0.172	C	C	.	.	S	Bend	trans	-83.5	-36.2	175	-57.9	-57.1	0	0	0	111.8	F93 K94 K140 F141 K194	F93-D122 HydrophobicContact CD1-CB 3.99Å; K94-D122 PolarHBondContact N-OD2 2.91Å; K94-D122 PolarHBondContact O-N 2.85Å; D122-K140 IonicContact OD1-NZ 3.71Å; D122-K140 PolarHBondContact OD1-NZ 2.77Å; D122-F141 PolarHBondContact O-N 3.05Å; D122-K194 VanDerWaalsContact CG-NZ 3.28Å; D122-K194 VanDerWaalsContact OD1-CE 3.32Å; D122-K194 WeakPolarHBondContact OD1-CE 3.49Å; D122-K194 IonicContact OD1-NZ 3.98Å; D122-K194 PolarHBondContact OD1-NZ 3.44Å; D122-K194 IonicContact OD2-NZ 3.13Å; D122-K194 PolarHBondContact OD2-NZ 3.31Å
123	I	98.6	Very high	97.5	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.5	178.4	-52.3	178.3	0	0	0	108.1	F93 K94 I95 G96 V121 I125 F141 I143 V173	F93-I123 HydrophobicContact CB-CD1 4.17Å; F93-I123 HydrophobicContact CD1-CD1 3.8Å; F93-I123 HydrophobicContact CD1-CG1 4.01Å; F93-I123 HydrophobicContact CE1-CD1 4.39Å; F93-I123 HydrophobicContact CG-CD1 4.04Å; K94-I123 PolarHBondContact O-N 3.19Å; K94-I123 VanDerWaalsContact O-N 3.12Å; I95-I123 CarbonylContact C-O 3.57Å; I95-I123 WeakPolarHBondContact CA-O 3.44Å; I95-I123 HydrophobicContact CG1-CB 4.27Å; I95-I123 HydrophobicContact CG1-CD1 4.33Å; I95-I123 HydrophobicContact CG2-CB 4.24Å; I95-I123 HydrophobicContact CG2-CG2 4.34Å; G96-I123 PolarHBondContact N-O 3.26Å; V121-I123 WeakPolarHBondContact CG2-O 3.21Å; I123-I125 HydrophobicContact CG2-CG1 4.18Å; I123-F141 CarbonylContact C-O 3.56Å; I123-F141 VanDerWaalsContact CA-O 3.23Å; I123-F141 WeakPolarHBondContact CA-O 3.25Å; I123-F141 HydrophobicContact CG1-CB 4.21Å; I123-F141 HydrophobicContact CG1-CD1 4.48Å; I123-F141 HydrophobicContact CG2-CD1 4.19Å; I123-I143 HydrophobicContact CG2-CD1 3.78Å; I123-I143 HydrophobicContact CG2-CG1 4.14Å; I123-V173 HydrophobicContact CD1-CG1 4.12Å
124	L	98.8	Very high	97.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.5	170.2	-177.3	66.5	0	0	0	109.8	I98 L112 L115 Q116 L119 V121 F141 Y142 I143	I98-L124 HydrophobicContact CG2-CD1 4.5Å; L112-L124 HydrophobicContact CB-CD2 4.25Å; L112-L124 HydrophobicContact CD2-CD2 4.04Å; L112-L124 VanDerWaalsContact O-CD2 3.3Å; L112-L124 WeakPolarHBondContact O-CD2 3.38Å; L115-L124 HydrophobicContact CB-CD2 4.41Å; L115-L124 HydrophobicContact CD2-CD1 4.35Å; L115-L124 HydrophobicContact CD2-CD2 4.34Å; L115-L124 HydrophobicContact CG-CD2 4.49Å; Q116-L124 HydrophobicContact CB-CB 4.31Å; Q116-L124 HydrophobicContact CB-CD2 4.08Å; L119-L124 HydrophobicContact CD1-CD1 4.07Å; V121-L124 HydrophobicContact CG2-CB 4.31Å; V121-L124 HydrophobicContact CG2-CD1 4.41Å; L124-F141 PolarHBondContact N-O 2.93Å; L124-Y142 HydrophobicContact CB-CD1 3.96Å; L124-Y142 HydrophobicContact CB-CE1 4.16Å; L124-Y142 HydrophobicContact CD2-CD1 4.06Å; L124-Y142 HydrophobicContact CD2-CE1 3.97Å; L124-Y142 HydrophobicContact CG-CD1 4.5Å; L124-Y142 WeakPolarHBondContact O-CA 3.12Å; L124-I143 PolarHBondContact O-N 3.47Å
125	I	98.8	Very high	97.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.1	176.1	-56	177.8	0	0	0	109.1	V18 L48 T50 I95 G96 L97 I98 I123 I143 M166	V18-I125 HydrophobicContact CG1-CD1 3.93Å; V18-I125 HydrophobicContact CG1-CG2 3.53Å; V18-I125 HydrophobicContact CG2-CD1 3.91Å; L48-I125 HydrophobicContact CB-CD1 4.31Å; L48-I125 HydrophobicContact CD1-CD1 3.64Å; T50-I125 HydrophobicContact CG2-CG2 3.78Å; I95-I125 HydrophobicContact CG2-CD1 3.47Å; I95-I125 VanDerWaalsContact CG2-CD1 3.47Å; I95-I125 HydrophobicContact CG2-CG1 3.85Å; G96-I125 PolarHBondContact O-N 3.31Å; L97-I125 HydrophobicContact CD1-CB 3.84Å; L97-I125 HydrophobicContact CD1-CG2 3.65Å; I98-I125 PolarHBondContact N-O 2.93Å; I123-I125 HydrophobicContact CG2-CG1 4.18Å; I125-I143 VanDerWaalsContact CA-O 3.26Å; I125-I143 WeakPolarHBondContact CA-O 3.28Å; I125-I143 HydrophobicContact CG1-CB 4.32Å; I125-M166 HydrophobicContact CD1-CE 4.18Å
126	S	98.6	Very high	97.4	Very high	11 Å²	11	40 Å²	40	8%	0.077	19%	0.19	C	C	.	.			trans	-129.5	161.1	174.2	62.7	0	0	0	0	111.5	I98 I143 N144 P145	I98-S126 WeakPolarHBondContact O-CA 3.48Å; S126-I143 PolarHBondContact N-O 3.23Å; S126-N144 WeakPolarHBondContact O-CA 3.4Å; S126-N144 VanDerWaalsContact O-CG 3.23Å; S126-N144 PolarHBondContact O-ND2 2.86Å; S126-N144 PolarHBondContact O-OD1 3.04Å; S126-P145 VanDerWaalsContact O-CD 3.25Å; S126-P145 WeakPolarHBondContact O-CD 3.33Å
127	G	97.3	Very high	97.3	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.021	20%	0.201	C	C	.	.			trans	-123.9	-132.4	176	0	0	0	0	0	111.1	H99 T129 N144	H99-G127 CarbonylContact O-C 3.54Å; H99-G127 WeakPolarHBondContact O-CA 3.36Å; H99-G127 PolarHBondContact O-N 3.14Å; G127-T129 PolarHBondContact O-N 3.37Å; G127-N144 PolarHBondContact O-ND2 3.12Å
128	H	96.8	Very high	97	Very high	13 Å²	13	42 Å²	42	6%	0.06	21%	0.206	C	C	.	.	S	Bend	trans	70.5	-40.5	170.4	-172.3	68.1	0	0	0	116.2	D21 H99 H101 W106 H130	D21-H128 PolarHBondContact OD2-N 3.07Å; H99-H128 AromaticContact CE1-CG 3.94Å; H99-H128 AromaticContact CE1-ND1 3.37Å; H99-H128 PolarHBondContact CE1-ND1 3.27Å; H99-H128 AromaticContact ND1-ND1 3.93Å; H99-H128 PolarHBondContact O-N 3.16Å; H101-H128 WeakPolarHBondContact CB-ND1 3.45Å; W106-H128 AromaticContact CD1-CD2 3.97Å; W106-H128 AromaticContact CD1-NE2 3.82Å; W106-H128 AromaticContact CD2-CD2 3.62Å; W106-H128 AromaticContact CD2-NE2 3.16Å; W106-H128 AromaticContact CE2-CD2 3.89Å; W106-H128 AromaticContact CE2-NE2 3.02Å; W106-H128 AromaticContact CE3-CD2 3.98Å; W106-H128 AromaticContact CE3-NE2 3.49Å; W106-H128 AromaticContact CG-CD2 3.74Å; W106-H128 AromaticContact CG-NE2 3.71Å; W106-H128 AromaticContact CH2-NE2 3.6Å; W106-H128 AromaticContact CZ2-CE1 3.9Å; W106-H128 AromaticContact CZ2-NE2 3.27Å; W106-H128 VanDerWaalsContact CZ2-NE2 3.27Å; W106-H128 WeakPolarHBondContact CZ2-NE2 3.43Å; W106-H128 AromaticContact CZ3-NE2 3.7Å; W106-H128 AromaticContact NE1-NE2 3.44Å; W106-H128 PolarHBondContact NE1-NE2 2.76Å; H128-H130 PolarHBondContact O-CD2 3.18Å; H128-H130 PolarHBondContact O-N 3.36Å
129	T	95.5	Very high	96.9	Very high	30 Å²	30	40.3 Å²	40.3	18%	0.184	20%	0.201	C	C	.	.	S	Bend	trans	-73.4	-14.1	177.3	69.1	0	0	0	0	112.7	G127 K131 N144 N153	G127-T129 PolarHBondContact O-N 3.37Å; T129-K131 PolarHBondContact O-N 3.5Å; T129-K131 PolarHBondContact OG1-N 2.89Å; T129-K131 PolarHBondContact OG1-O 3.38Å; T129-N144 PolarHBondContact OG1-ND2 3.33Å; T129-N153 PolarHBondContact O-ND2 3.16Å
130	H	96.6	Very high	96.9	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.023	21%	0.206	C	C	.	.			trans	55.4	14.3	-173.8	-62.2	-156.7	0	0	0	114	D21 H23 H128 A151 Y152 I159	D21-H130 IonicContact OD1-CD2 2.73Å; D21-H130 IonicContact OD1-NE2 2.68Å; D21-H130 IonicContact OD2-CD2 3.05Å; H23-H130 AromaticContact CD2-CE1 3.59Å; H23-H130 AromaticContact CD2-NE2 3.92Å; H23-H130 AromaticContact NE2-CE1 3.45Å; H23-H130 PolarHBondContact NE2-CE1 2.94Å; H23-H130 AromaticContact NE2-NE2 3.4Å; H23-H130 PolarHBondContact NE2-NE2 3.31Å; H128-H130 PolarHBondContact O-CD2 3.18Å; H128-H130 PolarHBondContact O-N 3.36Å; H130-A151 PolarHBondContact ND1-O 3.36Å; H130-Y152 PolarHBondContact CE1-O 2.88Å; H130-Y152 VanDerWaalsContact CE1-O 3.29Å; H130-I159 HydrophobicContact CB-CD1 3.87Å; H130-I159 HydrophobicContact CB-CG1 4.2Å; H130-I159 HydrophobicContact CB-CG2 4.06Å; H130-I159 WeakPolarHBondContact O-CG2 3.41Å
131	K	95.1	Very high	96.9	Very high	121 Å²	121	37.1 Å²	37.1	53%	0.526	18%	0.182	S	C	.	.	S	Bend	trans	-114.5	122.9	-178.6	-176.4	-172.2	169.3	-147	0	108.4	T129 E133 N144	T129-K131 PolarHBondContact O-N 3.5Å; T129-K131 PolarHBondContact OG1-N 2.89Å; T129-K131 PolarHBondContact OG1-O 3.38Å; K131-E133 HydrophobicContact CG-CG 4.47Å; K131-E133 IonicContact NZ-OE1 2.82Å; K131-E133 PolarHBondContact NZ-OE1 2.86Å; K131-E133 PolarHBondContact O-N 2.97Å; K131-N144 VanDerWaalsContact O-CG 3.27Å; K131-N144 PolarHBondContact O-OD1 2.96Å
132	F	97	Very high	96.9	Very high	29 Å²	29	37.4 Å²	37.4	13%	0.127	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	130.1	173.2	162.8	-99.5	0	0	0	110.7	A134 N144 V164 V177 I190	F132-A134 HydrophobicContact CE2-CB 3.71Å; F132-A134 HydrophobicContact CZ-CB 3.55Å; F132-N144 VanDerWaalsContact CA-O 3.27Å; F132-N144 WeakPolarHBondContact CA-O 3.33Å; F132-N144 WeakPolarHBondContact CD2-O 3.44Å; F132-V164 HydrophobicContact CD2-CG2 3.87Å; F132-V164 HydrophobicContact CE2-CG2 3.78Å; F132-V177 HydrophobicContact CD1-CG1 3.71Å; F132-V177 HydrophobicContact CD2-CB 4.45Å; F132-V177 HydrophobicContact CD2-CG1 3.42Å; F132-V177 VanDerWaalsContact CD2-CG1 3.42Å; F132-V177 HydrophobicContact CD2-CG2 4.22Å; F132-V177 HydrophobicContact CE1-CB 4.3Å; F132-V177 HydrophobicContact CE1-CG1 3.72Å; F132-V177 HydrophobicContact CE1-CG2 3.89Å; F132-V177 HydrophobicContact CE2-CB 4.03Å; F132-V177 HydrophobicContact CE2-CG1 3.47Å; F132-V177 VanDerWaalsContact CE2-CG1 3.47Å; F132-V177 HydrophobicContact CE2-CG2 3.35Å; F132-V177 HydrophobicContact CG-CG1 3.57Å; F132-V177 HydrophobicContact CZ-CB 3.97Å; F132-V177 HydrophobicContact CZ-CG1 3.63Å; F132-V177 HydrophobicContact CZ-CG2 3.16Å; F132-I190 HydrophobicContact CZ-CD1 4Å
133	E	97	Very high	96.9	Very high	55 Å²	55	37 Å²	37	26%	0.257	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	135.4	171.6	-63.3	-172.9	142.6	0	0	108.7	K131 F135 I143 N144	K131-E133 HydrophobicContact CG-CG 4.47Å; K131-E133 IonicContact NZ-OE1 2.82Å; K131-E133 PolarHBondContact NZ-OE1 2.86Å; K131-E133 PolarHBondContact O-N 2.97Å; E133-F135 HydrophobicContact CB-CD1 4.21Å; E133-F135 HydrophobicContact CB-CE1 4.07Å; E133-I143 CarbonylContact O-C 3.57Å; E133-I143 WeakPolarHBondContact O-CA 3.37Å; E133-N144 HydrophobicContact CB-CB 4.24Å; E133-N144 PolarHBondContact N-O 3.47Å; E133-N144 PolarHBondContact O-N 3.31Å
134	A	97.1	Very high	96.9	Very high	19 Å²	19	37.3 Å²	37.3	16%	0.157	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	117.3	168.5	0	0	0	0	0	109.5	F132 F141 Y142 I190	F132-A134 HydrophobicContact CE2-CB 3.71Å; F132-A134 HydrophobicContact CZ-CB 3.55Å; A134-F141 HydrophobicContact CB-CZ 4Å; A134-Y142 VanDerWaalsContact CA-O 3.28Å; A134-Y142 WeakPolarHBondContact CA-O 3.41Å; A134-I190 HydrophobicContact CB-CD1 3.74Å
135	F	96.2	Very high	96.9	Very high	62 Å²	62	37.3 Å²	37.3	27%	0.272	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	160.1	-174.1	60.2	-91.7	0	0	0	111	M109 E133 N137 F141 Y142	M109-F135 HydrophobicContact CE-CD2 4.45Å; M109-F135 HydrophobicContact CE-CE2 3.27Å; M109-F135 HydrophobicContact CE-CZ 3.59Å; M109-F135 HydrophobicContact SD-CE1 4.15Å; M109-F135 HydrophobicContact SD-CE2 3.41Å; M109-F135 WeakPolarHBondContact SD-CE2 3.47Å; M109-F135 HydrophobicContact SD-CZ 3.12Å; M109-F135 WeakPolarHBondContact SD-CZ 3.3Å; E133-F135 HydrophobicContact CB-CD1 4.21Å; E133-F135 HydrophobicContact CB-CE1 4.07Å; F135-N137 HydrophobicContact CD2-CB 4.35Å; F135-N137 HydrophobicContact CE2-CB 4.21Å; F135-F141 VanDerWaalsContact O-CD2 3.23Å; F135-F141 WeakPolarHBondContact O-CD2 3.15Å; F135-Y142 HydrophobicContact CD2-CD2 4.39Å; F135-Y142 AromaticContact CE2-CD2 3.75Å; F135-Y142 HydrophobicContact CE2-CD2 3.75Å; F135-Y142 AromaticContact CE2-CG 3.82Å; F135-Y142 HydrophobicContact CE2-CG 3.82Å; F135-Y142 VanDerWaalsContact CZ-CB 3.46Å; F135-Y142 HydrophobicContact CZ-CD2 4.39Å; F135-Y142 AromaticContact CZ-CG 3.98Å; F135-Y142 HydrophobicContact CZ-CG 3.98Å; F135-Y142 PolarHBondContact N-O 3.46Å; F135-Y142 VanDerWaalsContact N-O 3.1Å; F135-Y142 PolarHBondContact O-N 2.76Å
136	E	96.4	Very high	96.9	Very high	100 Å²	100	37.3 Å²	37.3	47%	0.467	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.2	174.4	-172	178.7	159.3	0	0	110	N139 K140 F141 Y192	E136-N139 WeakPolarHBondContact OE1-CA 3.24Å; E136-K140 CarbonylContact C-O 3.55Å; E136-K140 WeakPolarHBondContact CA-O 3.31Å; E136-F141 HydrophobicContact CB-CD2 4.48Å; E136-Y192 HydrophobicContact CG-CD2 4.18Å; E136-Y192 HydrophobicContact CG-CE2 4.11Å
137	N	95.5	Very high	96.8	Very high	53 Å²	53	36.8 Å²	36.8	28%	0.283	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	127.9	171.7	178.5	62.6	0	0	0	109.5	M109 F135 N139 K140 Y142	M109-N137 HydrophobicContact CE-CB 4Å; F135-N137 HydrophobicContact CD2-CB 4.35Å; F135-N137 HydrophobicContact CE2-CB 4.21Å; N137-N139 VanDerWaalsContact C-N 3.29Å; N137-N139 PolarHBondContact O-N 2.72Å; N137-K140 PolarHBondContact N-O 2.93Å; N137-K140 PolarHBondContact O-N 2.98Å; N137-Y142 HydrophobicContact CB-CD2 4.07Å; N137-Y142 HydrophobicContact CB-CE2 3.75Å
138	E	93.1	Very high	96.8	Very high	118 Å²	118	36.7 Å²	36.7	55%	0.551	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	46.1	-177.3	-60.2	-177.5	-150	0	0	113.7	R117 K140	R117-E138 IonicContact CZ-OE2 3.95Å; R117-E138 IonicContact NH2-OE1 3.34Å; R117-E138 PolarHBondContact NH2-OE1 3.19Å; R117-E138 IonicContact NH2-OE2 3.07Å; R117-E138 PolarHBondContact NH2-OE2 3.46Å; E138-K140 PolarHBondContact O-N 3.01Å; E138-K140 VanDerWaalsContact O-N 3.16Å
139	N	94.4	Very high	96.8	Very high	99 Å²	99	36.8 Å²	36.8	53%	0.529	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	16.3	-178.8	-49.2	-17.6	0	0	0	114.5	E136 N137 Y192	E136-N139 WeakPolarHBondContact OE1-CA 3.24Å; N137-N139 VanDerWaalsContact C-N 3.29Å; N137-N139 PolarHBondContact O-N 2.72Å; N139-Y192 PolarHBondContact O-OH 2.83Å
140	K	97.6	Very high	96.8	Very high	50 Å²	50	36.1 Å²	36.1	22%	0.217	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149.3	175.9	-60.4	-63.5	-177.5	-177.4	0	110	Q116 D122 E136 N137 E138 Y142	Q116-K140 HydrophobicContact CG-CB 4.24Å; Q116-K140 HydrophobicContact CG-CG 4.32Å; D122-K140 IonicContact OD1-NZ 3.71Å; D122-K140 PolarHBondContact OD1-NZ 2.77Å; E136-K140 CarbonylContact C-O 3.55Å; E136-K140 WeakPolarHBondContact CA-O 3.31Å; N137-K140 PolarHBondContact N-O 2.93Å; N137-K140 PolarHBondContact O-N 2.98Å; E138-K140 PolarHBondContact O-N 3.01Å; E138-K140 VanDerWaalsContact O-N 3.16Å; K140-Y142 HydrophobicContact CB-CE2 3.92Å
141	F	98.3	Very high	96.6	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.013	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135	-174.2	-163.5	-128.6	0	0	0	111	D122 I123 L124 A134 F135 E136 I143 V173 T175 I190 Y192	D122-F141 PolarHBondContact O-N 3.05Å; I123-F141 CarbonylContact C-O 3.56Å; I123-F141 VanDerWaalsContact CA-O 3.23Å; I123-F141 WeakPolarHBondContact CA-O 3.25Å; I123-F141 HydrophobicContact CG1-CB 4.21Å; I123-F141 HydrophobicContact CG1-CD1 4.48Å; I123-F141 HydrophobicContact CG2-CD1 4.19Å; L124-F141 PolarHBondContact N-O 2.93Å; A134-F141 HydrophobicContact CB-CZ 4Å; F135-F141 VanDerWaalsContact O-CD2 3.23Å; F135-F141 WeakPolarHBondContact O-CD2 3.15Å; E136-F141 HydrophobicContact CB-CD2 4.48Å; F141-I143 HydrophobicContact CD1-CD1 3.74Å; F141-I143 HydrophobicContact CD1-CG1 3.72Å; F141-I143 HydrophobicContact CE1-CD1 3.5Å; F141-I143 VanDerWaalsContact CE1-CD1 3.5Å; F141-I143 HydrophobicContact CE1-CG1 3.51Å; F141-I143 HydrophobicContact CZ-CG1 4.25Å; F141-V173 HydrophobicContact CD1-CG1 4.41Å; F141-T175 WeakPolarHBondContact CE1-OG1 3.18Å; F141-I190 HydrophobicContact CE2-CG2 4.19Å; F141-I190 HydrophobicContact CZ-CG2 4.02Å; F141-Y192 HydrophobicContact CB-CD1 3.6Å; F141-Y192 HydrophobicContact CB-CD2 4.04Å; F141-Y192 HydrophobicContact CB-CE1 3.77Å; F141-Y192 HydrophobicContact CB-CE2 4.2Å; F141-Y192 HydrophobicContact CB-CG 3.75Å; F141-Y192 HydrophobicContact CD1-CD1 4.27Å; F141-Y192 HydrophobicContact CD1-CG 4.32Å; F141-Y192 HydrophobicContact CD2-CD2 4.23Å; F141-Y192 AromaticContact CD2-CG 3.99Å; F141-Y192 HydrophobicContact CD2-CG 3.99Å; F141-Y192 AromaticContact CG-CD1 3.95Å; F141-Y192 HydrophobicContact CG-CD1 3.95Å; F141-Y192 HydrophobicContact CG-CD2 4.3Å; F141-Y192 AromaticContact CG-CG 3.78Å; F141-Y192 HydrophobicContact CG-CG 3.78Å
142	Y	98.6	Very high	96.4	Very high	6 Å²	6	35.9 Å²	35.9	2%	0.024	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.1	-177.9	-62.8	-98.4	0	0	0	108.1	M109 L112 A113 Q116 L124 A134 F135 N137 K140	M109-Y142 HydrophobicContact CE-CD2 4.46Å; L112-Y142 HydrophobicContact CB-CD1 4.17Å; L112-Y142 HydrophobicContact CB-CE1 4.06Å; A113-Y142 WeakPolarHBondContact CA-OH 3.41Å; Q116-Y142 HydrophobicContact CB-CE1 3.93Å; Q116-Y142 HydrophobicContact CG-CE1 4.33Å; L124-Y142 HydrophobicContact CB-CD1 3.96Å; L124-Y142 HydrophobicContact CB-CE1 4.16Å; L124-Y142 HydrophobicContact CD2-CD1 4.06Å; L124-Y142 HydrophobicContact CD2-CE1 3.97Å; L124-Y142 HydrophobicContact CG-CD1 4.5Å; L124-Y142 WeakPolarHBondContact O-CA 3.12Å; A134-Y142 VanDerWaalsContact CA-O 3.28Å; A134-Y142 WeakPolarHBondContact CA-O 3.41Å; F135-Y142 HydrophobicContact CD2-CD2 4.39Å; F135-Y142 AromaticContact CE2-CD2 3.75Å; F135-Y142 HydrophobicContact CE2-CD2 3.75Å; F135-Y142 AromaticContact CE2-CG 3.82Å; F135-Y142 HydrophobicContact CE2-CG 3.82Å; F135-Y142 VanDerWaalsContact CZ-CB 3.46Å; F135-Y142 HydrophobicContact CZ-CD2 4.39Å; F135-Y142 AromaticContact CZ-CG 3.98Å; F135-Y142 HydrophobicContact CZ-CG 3.98Å; F135-Y142 PolarHBondContact N-O 3.46Å; F135-Y142 VanDerWaalsContact N-O 3.1Å; F135-Y142 PolarHBondContact O-N 2.76Å; N137-Y142 HydrophobicContact CB-CD2 4.07Å; N137-Y142 HydrophobicContact CB-CE2 3.75Å; K140-Y142 HydrophobicContact CB-CE2 3.92Å
143	I	98.7	Very high	96	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.7	-178.7	-54.6	175.1	0	0	0	109.1	I123 L124 I125 S126 E133 F141 V164 M166 T175	I123-I143 HydrophobicContact CG2-CD1 3.78Å; I123-I143 HydrophobicContact CG2-CG1 4.14Å; L124-I143 PolarHBondContact O-N 3.47Å; I125-I143 VanDerWaalsContact CA-O 3.26Å; I125-I143 WeakPolarHBondContact CA-O 3.28Å; I125-I143 HydrophobicContact CG1-CB 4.32Å; S126-I143 PolarHBondContact N-O 3.23Å; E133-I143 CarbonylContact O-C 3.57Å; E133-I143 WeakPolarHBondContact O-CA 3.37Å; F141-I143 HydrophobicContact CD1-CD1 3.74Å; F141-I143 HydrophobicContact CD1-CG1 3.72Å; F141-I143 HydrophobicContact CE1-CD1 3.5Å; F141-I143 VanDerWaalsContact CE1-CD1 3.5Å; F141-I143 HydrophobicContact CE1-CG1 3.51Å; F141-I143 HydrophobicContact CZ-CG1 4.25Å; I143-V164 HydrophobicContact CG2-CB 4.46Å; I143-V164 HydrophobicContact CG2-CG1 4.21Å; I143-V164 HydrophobicContact CG2-CG2 4.19Å; I143-M166 HydrophobicContact CD1-CG 4.29Å; I143-M166 HydrophobicContact CD1-SD 3.41Å; I143-M166 WeakPolarHBondContact CD1-SD 3.46Å; I143-T175 HydrophobicContact CD1-CG2 4.48Å
144	N	98.5	Very high	95.4	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.027	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.6	160.9	-168.1	-41.7	0	0	0	108.5	S126 G127 T129 K131 F132 E133 G146	S126-N144 WeakPolarHBondContact O-CA 3.4Å; S126-N144 VanDerWaalsContact O-CG 3.23Å; S126-N144 PolarHBondContact O-ND2 2.86Å; S126-N144 PolarHBondContact O-OD1 3.04Å; G127-N144 PolarHBondContact O-ND2 3.12Å; T129-N144 PolarHBondContact OG1-ND2 3.33Å; K131-N144 VanDerWaalsContact O-CG 3.27Å; K131-N144 PolarHBondContact O-OD1 2.96Å; F132-N144 VanDerWaalsContact CA-O 3.27Å; F132-N144 WeakPolarHBondContact CA-O 3.33Å; F132-N144 WeakPolarHBondContact CD2-O 3.44Å; E133-N144 HydrophobicContact CB-CB 4.24Å; E133-N144 PolarHBondContact N-O 3.47Å; E133-N144 PolarHBondContact O-N 3.31Å; N144-G146 PolarHBondContact O-N 3.2Å; N144-G146 PolarHBondContact OD1-N 3.15Å
145	P	98.3	Very high	94.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-9.3	-178.7	32.8	-36.5	0	0	0	113	V18 T50 S126 S162 V164	V18-P145 HydrophobicContact CG1-CB 4.01Å; V18-P145 HydrophobicContact CG1-CG 4Å; V18-P145 WeakPolarHBondContact O-CB 3.23Å; T50-P145 HydrophobicContact CG2-CG 4.14Å; S126-P145 VanDerWaalsContact O-CD 3.25Å; S126-P145 WeakPolarHBondContact O-CD 3.33Å; P145-S162 CarbonylContact O-C 3.59Å; P145-S162 WeakPolarHBondContact O-CB 3.46Å; P145-S162 PolarHBondContact O-OG 3.47Å; P145-V164 HydrophobicContact CB-CB 4.37Å; P145-V164 HydrophobicContact CB-CG2 4.28Å
146	G	97.7	Very high	94.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.229	C	C	.	.			trans	67	-164.9	-165.3	0	0	0	0	0	112.6	N144 S162	N144-G146 PolarHBondContact O-N 3.2Å; N144-G146 PolarHBondContact OD1-N 3.15Å; G146-S162 WeakPolarHBondContact CA-OG 3.37Å
147	S	98.1	Very high	93.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.			trans	-90.6	122.7	175.8	170.9	0	0	0	0	111.1	D21 T149 G150 A151 P161 S162	D21-S147 WeakPolarHBondContact O-CB 3.46Å; D21-S147 PolarHBondContact O-OG 2.9Å; S147-T149 PolarHBondContact O-N 3.16Å; S147-T149 PolarHBondContact OG-N 2.87Å; S147-T149 PolarHBondContact OG-OG1 3.32Å; S147-G150 PolarHBondContact O-N 2.64Å; S147-G150 PolarHBondContact OG-N 2.66Å; S147-G150 VanDerWaalsContact OG-N 3.15Å; S147-A151 PolarHBondContact OG-N 3.32Å; S147-P161 CarbonylContact O-C 3.35Å; S147-P161 VanDerWaalsContact O-CA 3.29Å; S147-P161 WeakPolarHBondContact O-CA 3.43Å; S147-S162 CarbonylContact C-O 3.44Å; S147-S162 PolarHBondContact O-N 3.19Å
148	A	97.3	Very high	93.4	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.008	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.8	179.9	0	0	0	0	0	114.1	L19 G20 L22 L31 P32 S162	L19-A148 HydrophobicContact CB-CB 4.19Å; L19-A148 HydrophobicContact CD1-CB 4.04Å; G20-A148 PolarHBondContact O-N 3.03Å; G20-A148 VanDerWaalsContact O-N 3.12Å; L22-A148 HydrophobicContact CD1-CB 4.25Å; L31-A148 HydrophobicContact CD2-CB 3.51Å; L31-A148 WeakPolarHBondContact CD2-O 3.32Å; P32-A148 WeakPolarHBondContact CD-O 3.18Å; A148-S162 WeakPolarHBondContact CA-O 3.48Å; A148-S162 PolarHBondContact N-O 2.86Å
149	T	96.3	Very high	93.5	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.086	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-12.5	177.8	52.1	0	0	0	0	113	D21 L22 I24 C28 L31 S147 A151	D21-T149 PolarHBondContact O-OG1 2.92Å; L22-T149 WeakPolarHBondContact CA-OG1 3.22Å; L22-T149 HydrophobicContact CB-CG2 4.06Å; L22-T149 HydrophobicContact CG-CG2 4.15Å; L22-T149 WeakPolarHBondContact O-CG2 3.36Å; L22-T149 PolarHBondContact O-OG1 3.31Å; I24-T149 HydrophobicContact CD1-CG2 4.04Å; I24-T149 HydrophobicContact CG1-CG2 4.22Å; C28-T149 HydrophobicContact CB-CG2 4.08Å; L31-T149 HydrophobicContact CD2-CG2 3.95Å; L31-T149 HydrophobicContact CG-CG2 4.4Å; S147-T149 PolarHBondContact O-N 3.16Å; S147-T149 PolarHBondContact OG-N 2.87Å; S147-T149 PolarHBondContact OG-OG1 3.32Å; T149-A151 VanDerWaalsContact C-N 3.33Å; T149-A151 PolarHBondContact OG1-N 3.35Å
150	G	94.6	Very high	93.6	Very high	16 Å²	16	47.6 Å²	47.6	17%	0.165	24%	0.24	C	C	.	.			trans	71.3	29.2	-168.3	0	0	0	0	0	112.7	S147 Y152	S147-G150 PolarHBondContact O-N 2.64Å; S147-G150 PolarHBondContact OG-N 2.66Å; S147-G150 VanDerWaalsContact OG-N 3.15Å; G150-Y152 PolarHBondContact O-N 3.49Å
151	A	93.6	Very high	93.6	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	24%	0.236	C	C	.	.			trans	-57.9	138.3	176.7	0	0	0	0	0	110.1	H23 R27 H130 S147 T149 I159	H23-A151 HydrophobicContact CB-CB 4.06Å; R27-A151 HydrophobicContact CB-CB 4.07Å; H130-A151 PolarHBondContact ND1-O 3.36Å; S147-A151 PolarHBondContact OG-N 3.32Å; T149-A151 VanDerWaalsContact C-N 3.33Å; T149-A151 PolarHBondContact OG1-N 3.35Å; A151-I159 WeakPolarHBondContact O-CG1 3.35Å
152	Y	89.5	Confident	93.6	Very high	120 Å²	120	46 Å²	46	47%	0.471	24%	0.235	S	C	.	.			trans	-64.1	157.9	173.3	70.1	-90.8	0	0	0	110.6	R27 H130 G150	R27-Y152 HydrophobicContact CB-CD1 4.13Å; R27-Y152 HydrophobicContact CB-CE1 3.77Å; R27-Y152 WeakPolarHBondContact CD-O 3.49Å; R27-Y152 HydrophobicContact CG-CD1 4.15Å; R27-Y152 HydrophobicContact CG-CE1 3.5Å; R27-Y152 PolarHBondContact NH1-O 3.22Å; H130-Y152 PolarHBondContact CE1-O 2.88Å; H130-Y152 VanDerWaalsContact CE1-O 3.29Å; G150-Y152 PolarHBondContact O-N 3.49Å
153	N	89.1	Confident	93.6	Very high	13 Å²	13	46 Å²	46	7%	0.07	24%	0.235	C	C	.	.			trans	-122.6	-176.6	164.3	72	32.4	0	0	0	110.4	T129 L155 E156	T129-N153 PolarHBondContact O-ND2 3.16Å; N153-L155 PolarHBondContact O-N 3.37Å; N153-L155 WeakPolarHBondContact OD1-CA 3.33Å; N153-L155 PolarHBondContact OD1-N 3.25Å; N153-E156 PolarHBondContact N-O 3.18Å; N153-E156 PolarHBondContact OD1-N 3.4Å; N153-E156 PolarHBondContact OD1-O 3.07Å
154	A	84.1	Confident	93.6	Very high	90 Å²	90	45.9 Å²	45.9	74%	0.744	24%	0.235	S	C	*	.	S	Bend	trans	-66.4	-23.2	-176.4	0	0	0	0	0	114
155	L	83.1	Confident	93.6	Very high	138 Å²	138	46.7 Å²	46.7	72%	0.723	24%	0.239	S	C	*	.	S	Bend	trans	-106.3	-26.5	-172.5	-58.8	178.4	0	0	0	113.1	W106 N153	W106-L155 HydrophobicContact CE3-CD1 3.62Å; W106-L155 HydrophobicContact CE3-CG 4.38Å; W106-L155 HydrophobicContact CZ3-CD1 3.74Å; W106-L155 HydrophobicContact CZ3-CG 3.98Å; N153-L155 PolarHBondContact O-N 3.37Å; N153-L155 WeakPolarHBondContact OD1-CA 3.33Å; N153-L155 PolarHBondContact OD1-N 3.25Å
156	E	85.3	Confident	93.6	Very high	88 Å²	88	46.7 Å²	46.7	41%	0.411	24%	0.239	S	C	.	.			trans	-139.2	134.8	-173.6	-178.2	57.1	-107.7	0	0	110.8	N153 N158 I159	N153-E156 PolarHBondContact N-O 3.18Å; N153-E156 PolarHBondContact OD1-N 3.4Å; N153-E156 PolarHBondContact OD1-O 3.07Å; E156-N158 PolarHBondContact OE1-N 2.93Å; E156-I159 HydrophobicContact CB-CD1 3.8Å; E156-I159 HydrophobicContact CG-CD1 3.41Å; E156-I159 VanDerWaalsContact CG-CD1 3.41Å; E156-I159 HydrophobicContact CG-CG1 4.32Å
157	R	85.8	Confident	93.6	Very high	212 Å²	212	48.4 Å²	48.4	80%	0.8	25%	0.248	S	C	*	.	S	Bend	trans	-107.7	-26.9	-178.3	-66.8	-175	-179.6	-176.2	0.2	112.6	I159	R157-I159 PolarHBondContact O-N 2.98Å
158	N	90.2	Very high	93.5	Very high	143 Å²	143	48.4 Å²	48.4	77%	0.765	25%	0.248	S	C	*	.			trans	-95.3	72.3	-178.5	-65.2	-38.9	0	0	0	109.6	E156	E156-N158 PolarHBondContact OE1-N 2.93Å
159	I	94.6	Very high	93.3	Very high	23 Å²	23	52.9 Å²	52.9	12%	0.118	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-90.5	128.1	180	-57.4	-63.8	0	0	0	109.7	H130 A151 E156 R157 P161	H130-I159 HydrophobicContact CB-CD1 3.87Å; H130-I159 HydrophobicContact CB-CG1 4.2Å; H130-I159 HydrophobicContact CB-CG2 4.06Å; H130-I159 WeakPolarHBondContact O-CG2 3.41Å; A151-I159 WeakPolarHBondContact O-CG1 3.35Å; E156-I159 HydrophobicContact CB-CD1 3.8Å; E156-I159 HydrophobicContact CG-CD1 3.41Å; E156-I159 VanDerWaalsContact CG-CD1 3.41Å; E156-I159 HydrophobicContact CG-CG1 4.32Å; R157-I159 PolarHBondContact O-N 2.98Å; I159-P161 WeakPolarHBondContact O-CD 3.12Å
160	I	96.8	Very high	93.1	Very high	74 Å²	74	54.4 Å²	54.4	38%	0.379	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-80.5	121	172.4	-63.5	171.8	0	0	0	107.5	S162 Q179 L180 I181	I160-S162 PolarHBondContact O-N 3.44Å; I160-Q179 HydrophobicContact CG2-CB 3.93Å; I160-L180 WeakPolarHBondContact CG2-O 2.87Å; I160-I181 HydrophobicContact CD1-CG1 4.31Å; I160-I181 HydrophobicContact CG2-CG1 4Å
161	P	97.9	Very high	93.1	Very high	20 Å²	20	55.3 Å²	55.3	13%	0.13	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-57.6	131	174.3	-21.6	30.4	0	0	0	110.7	P32 F35 S147 I159 Q179 L180	P32-P161 HydrophobicContact CG-CB 3.9Å; P32-P161 HydrophobicContact CG-CG 4.17Å; F35-P161 HydrophobicContact CE2-CB 3.79Å; F35-P161 HydrophobicContact CZ-CB 4.29Å; F35-P161 WeakPolarHBondContact CZ-O 3.3Å; S147-P161 CarbonylContact O-C 3.35Å; S147-P161 VanDerWaalsContact O-CA 3.29Å; S147-P161 WeakPolarHBondContact O-CA 3.43Å; I159-P161 WeakPolarHBondContact O-CD 3.12Å; P161-Q179 WeakPolarHBondContact O-CA 3.22Å; P161-L180 HydrophobicContact CB-CB 4.12Å; P161-L180 HydrophobicContact CG-CB 4.23Å; P161-L180 HydrophobicContact CG-CD2 4.29Å; P161-L180 PolarHBondContact O-N 2.82Å
162	S	98.4	Very high	93.2	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.007	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	151.7	-178.6	63.4	0	0	0	0	114	P145 G146 S147 A148 I160 Y178	P145-S162 CarbonylContact O-C 3.59Å; P145-S162 WeakPolarHBondContact O-CB 3.46Å; P145-S162 PolarHBondContact O-OG 3.47Å; G146-S162 WeakPolarHBondContact CA-OG 3.37Å; S147-S162 CarbonylContact C-O 3.44Å; S147-S162 PolarHBondContact O-N 3.19Å; A148-S162 WeakPolarHBondContact CA-O 3.48Å; A148-S162 PolarHBondContact N-O 2.86Å; I160-S162 PolarHBondContact O-N 3.44Å; S162-Y178 CarbonylContact C-O 3.56Å; S162-Y178 WeakPolarHBondContact CA-O 3.27Å; S162-Y178 WeakPolarHBondContact CB-O 3.5Å
163	F	98.4	Very high	93.6	Very high	5 Å²	5	51.2 Å²	51.2	2%	0.022	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	166.7	166.1	69.7	-90.1	0	0	0	109.8	L17 L19 F35 L39 Y178	L17-F163 HydrophobicContact CD1-CD2 3.48Å; L17-F163 VanDerWaalsContact CD1-CD2 3.48Å; L17-F163 HydrophobicContact CD1-CE2 3.94Å; L17-F163 HydrophobicContact CD1-CG 4.34Å; L19-F163 HydrophobicContact CB-CB 4.09Å; F35-F163 HydrophobicContact CB-CE1 4.11Å; F35-F163 HydrophobicContact CD1-CD1 4.21Å; F35-F163 AromaticContact CD1-CE1 3.64Å; F35-F163 HydrophobicContact CD1-CE1 3.64Å; F35-F163 AromaticContact CD2-CD1 3.69Å; F35-F163 HydrophobicContact CD2-CD1 3.69Å; F35-F163 AromaticContact CD2-CE1 3.92Å; F35-F163 HydrophobicContact CD2-CE1 3.92Å; F35-F163 HydrophobicContact CE1-CD1 4.26Å; F35-F163 AromaticContact CE1-CE1 3.9Å; F35-F163 HydrophobicContact CE1-CE1 3.9Å; F35-F163 AromaticContact CE2-CD1 3.75Å; F35-F163 HydrophobicContact CE2-CD1 3.75Å; F35-F163 HydrophobicContact CE2-CE1 4.17Å; F35-F163 AromaticContact CG-CD1 3.92Å; F35-F163 HydrophobicContact CG-CD1 3.92Å; F35-F163 AromaticContact CG-CE1 3.64Å; F35-F163 HydrophobicContact CG-CE1 3.64Å; F35-F163 HydrophobicContact CZ-CD1 4.02Å; F35-F163 HydrophobicContact CZ-CE1 4.15Å; L39-F163 HydrophobicContact CD2-CD2 4.44Å; L39-F163 HydrophobicContact CD2-CE2 3.92Å; L39-F163 HydrophobicContact CD2-CZ 4.04Å; L39-F163 HydrophobicContact CG-CZ 4.49Å; F163-Y178 HydrophobicContact CD2-CD2 4.09Å; F163-Y178 HydrophobicContact CD2-CG 4.47Å; F163-Y178 VanDerWaalsContact CE1-CB 3.42Å; F163-Y178 HydrophobicContact CE1-CD1 4.48Å; F163-Y178 HydrophobicContact CE1-CD2 4.42Å; F163-Y178 AromaticContact CE1-CG 3.89Å; F163-Y178 HydrophobicContact CE1-CG 3.89Å; F163-Y178 AromaticContact CE2-CD2 3.39Å; F163-Y178 HydrophobicContact CE2-CD2 3.39Å; F163-Y178 HydrophobicContact CE2-CE2 4.01Å; F163-Y178 AromaticContact CE2-CG 3.7Å; F163-Y178 HydrophobicContact CE2-CG 3.7Å; F163-Y178 VanDerWaalsContact CZ-CB 3.46Å; F163-Y178 AromaticContact CZ-CD1 3.9Å; F163-Y178 HydrophobicContact CZ-CD1 3.9Å; F163-Y178 AromaticContact CZ-CD2 3.59Å; F163-Y178 HydrophobicContact CZ-CD2 3.59Å; F163-Y178 HydrophobicContact CZ-CE2 4.3Å; F163-Y178 AromaticContact CZ-CG 3.36Å; F163-Y178 HydrophobicContact CZ-CG 3.36Å; F163-Y178 PolarHBondContact N-O 3.48Å; F163-Y178 PolarHBondContact O-N 2.99Å
164	V	98.6	Very high	94	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.8	-178.2	165.7	0	0	0	0	110.4	V18 F132 I143 P145 M166 T175 Y176 V177	V18-V164 HydrophobicContact CB-CB 4.06Å; V18-V164 HydrophobicContact CB-CG1 4.27Å; V18-V164 HydrophobicContact CG2-CG1 4.42Å; V18-V164 PolarHBondContact N-O 3.29Å; V18-V164 PolarHBondContact O-N 3.06Å; F132-V164 HydrophobicContact CD2-CG2 3.87Å; F132-V164 HydrophobicContact CE2-CG2 3.78Å; I143-V164 HydrophobicContact CG2-CB 4.46Å; I143-V164 HydrophobicContact CG2-CG1 4.21Å; I143-V164 HydrophobicContact CG2-CG2 4.19Å; P145-V164 HydrophobicContact CB-CB 4.37Å; P145-V164 HydrophobicContact CB-CG2 4.28Å; V164-M166 HydrophobicContact CG1-CG 4.06Å; V164-T175 HydrophobicContact CG1-CG2 3.4Å; V164-T175 VanDerWaalsContact CG1-CG2 3.4Å; V164-Y176 CarbonylContact C-O 3.58Å; V164-Y176 WeakPolarHBondContact CA-O 3.44Å; V164-V177 HydrophobicContact CG2-CG1 4.39Å; V164-V177 HydrophobicContact CG2-CG2 4.38Å
165	L	98.1	Very high	94.6	Very high	22 Å²	22	47 Å²	47	12%	0.115	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.6	172.2	-168	72.2	0	0	0	108.4	L15 V16 L17 I44 Y176 Y178	L15-L165 HydrophobicContact CD1-CD1 4.12Å; L15-L165 HydrophobicContact CD1-CD2 3.8Å; L15-L165 HydrophobicContact CD1-CG 3.69Å; L15-L165 HydrophobicContact CD2-CD1 4.1Å; L15-L165 HydrophobicContact CD2-CD2 4.13Å; L15-L165 HydrophobicContact CD2-CG 4.38Å; L15-L165 HydrophobicContact CG-CD1 3.78Å; L15-L165 HydrophobicContact CG-CD2 4.17Å; L15-L165 HydrophobicContact CG-CG 3.95Å; V16-L165 CarbonylContact O-C 3.57Å; V16-L165 WeakPolarHBondContact O-CA 3.4Å; L17-L165 HydrophobicContact CB-CD1 4.23Å; L17-L165 HydrophobicContact CD1-CD1 4.31Å; I44-L165 HydrophobicContact CG1-CD1 4.33Å; L165-Y176 PolarHBondContact N-O 3.38Å; L165-Y176 PolarHBondContact O-N 3.29Å; L165-Y178 HydrophobicContact CB-CE2 3.95Å; L165-Y178 HydrophobicContact CD2-CE2 4.26Å
166	M	98.1	Very high	95.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.6	177.3	-59	-175.2	-59.9	0	0	109.8	L15 V16 V18 L48 I95 I125 I143 V164 I168 V173 V174	L15-M166 CarbonylContact C-O 3.47Å; L15-M166 WeakPolarHBondContact CA-O 3.5Å; V16-M166 HydrophobicContact CB-CB 4.26Å; V16-M166 HydrophobicContact CB-CE 3.81Å; V16-M166 HydrophobicContact CG1-CE 3.67Å; V16-M166 HydrophobicContact CG2-CE 4.43Å; V16-M166 PolarHBondContact N-O 3.41Å; V16-M166 PolarHBondContact O-N 3.35Å; V18-M166 HydrophobicContact CG2-CE 3.61Å; V18-M166 HydrophobicContact CG2-CG 4.29Å; V18-M166 HydrophobicContact CG2-SD 4.23Å; L48-M166 HydrophobicContact CD1-CE 4.3Å; I95-M166 HydrophobicContact CD1-CE 4.06Å; I125-M166 HydrophobicContact CD1-CE 4.18Å; I143-M166 HydrophobicContact CD1-CG 4.29Å; I143-M166 HydrophobicContact CD1-SD 3.41Å; I143-M166 WeakPolarHBondContact CD1-SD 3.46Å; V164-M166 HydrophobicContact CG1-CG 4.06Å; M166-I168 HydrophobicContact CB-CG1 4.31Å; M166-I168 HydrophobicContact CE-CD1 4.31Å; M166-V173 HydrophobicContact CB-CG2 3.79Å; M166-V173 HydrophobicContact CG-CG2 4.12Å; M166-V173 HydrophobicContact SD-CG2 4.17Å; M166-V174 CarbonylContact C-O 3.57Å; M166-V174 WeakPolarHBondContact CA-O 3.47Å
167	D	97.1	Very high	95.9	Very high	35 Å²	35	39.5 Å²	39.5	19%	0.187	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	105.6	166	-179.3	7.2	0	0	0	108	L15 Q169 V173 V174 Y176	L15-D167 HydrophobicContact CD1-CB 4.25Å; D167-Q169 WeakPolarHBondContact OD1-CG 3.5Å; D167-Q169 PolarHBondContact OD1-NE2 3.33Å; D167-Q169 PolarHBondContact OD2-NE2 2.86Å; D167-V173 WeakPolarHBondContact O-CA 3.16Å; D167-V174 HydrophobicContact CB-CB 4.38Å; D167-V174 PolarHBondContact N-O 3.47Å; D167-V174 PolarHBondContact O-N 3.3Å; D167-Y176 HydrophobicContact CB-CE2 4.23Å
168	I	96.4	Very high	96.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.9	-176.6	-65.6	175	0	0	0	108.8	P13 A14 V16 V90 F93 I95 M166 V173	P13-I168 WeakPolarHBondContact CA-O 3.38Å; A14-I168 PolarHBondContact N-O 2.88Å; A14-I168 PolarHBondContact O-N 3.3Å; V16-I168 HydrophobicContact CG2-CD1 3.94Å; V90-I168 HydrophobicContact CB-CD1 3.96Å; V90-I168 HydrophobicContact CG1-CD1 3.8Å; F93-I168 HydrophobicContact CD2-CG2 3.6Å; F93-I168 HydrophobicContact CE2-CG2 3.89Å; I95-I168 HydrophobicContact CD1-CD1 3.94Å; M166-I168 HydrophobicContact CB-CG1 4.31Å; M166-I168 HydrophobicContact CE-CD1 4.31Å; I168-V173 HydrophobicContact CG1-CB 4.18Å; I168-V173 HydrophobicContact CG1-CG2 3.73Å
169	Q	94.3	Very high	96.9	Very high	96 Å²	96	26 Å²	26	45%	0.449	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	118	178.5	-53.7	-169	8.8	0	0	110.2	P13 D167 S171 T172	P13-Q169 HydrophobicContact CB-CG 3.84Å; D167-Q169 WeakPolarHBondContact OD1-CG 3.5Å; D167-Q169 PolarHBondContact OD1-NE2 3.33Å; D167-Q169 PolarHBondContact OD2-NE2 2.86Å; Q169-S171 PolarHBondContact O-N 2.58Å; Q169-S171 VanDerWaalsContact O-N 3.07Å; Q169-T172 PolarHBondContact N-O 2.66Å; Q169-T172 PolarHBondContact O-N 3.34Å; Q169-T172 VanDerWaalsContact O-O 3.09Å
170	A	91.5	Very high	97	Very high	46 Å²	46	26.4 Å²	26.4	38%	0.38	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	-112.9	-175.2	0	0	0	0	0	112	Q92	Q92-A170 WeakPolarHBondContact CB-O 3.47Å; Q92-A170 WeakPolarHBondContact CG-O 3.29Å
171	S	94	Very high	96.9	Very high	34 Å²	34	25.9 Å²	25.9	24%	0.238	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	13	179.5	60.1	0	0	0	0	113.8	F93 Q169 K193 K194	F93-S171 VanDerWaalsContact CZ-C 3.45Å; F93-S171 VanDerWaalsContact CZ-O 3.29Å; F93-S171 WeakPolarHBondContact CZ-O 3.3Å; Q169-S171 PolarHBondContact O-N 2.58Å; Q169-S171 VanDerWaalsContact O-N 3.07Å; S171-K193 WeakPolarHBondContact O-CA 3.37Å; S171-K194 PolarHBondContact O-N 3.27Å
172	T	96.1	Very high	96.6	Very high	35 Å²	35	28.1 Å²	28.1	22%	0.215	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.7	177.8	-60.7	0	0	0	0	110.3	Q169 V174 E191	Q169-T172 PolarHBondContact N-O 2.66Å; Q169-T172 PolarHBondContact O-N 3.34Å; Q169-T172 VanDerWaalsContact O-O 3.09Å; T172-V174 HydrophobicContact CG2-CG2 4.44Å; T172-E191 HydrophobicContact CG2-CG 3.86Å
173	V	97.3	Very high	96.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.7	167.8	62	0	0	0	0	109.5	F93 I123 F141 M166 D167 I168 Y192	F93-V173 HydrophobicContact CE1-CG1 4.38Å; F93-V173 HydrophobicContact CE2-CB 4.27Å; F93-V173 HydrophobicContact CZ-CB 4.14Å; F93-V173 HydrophobicContact CZ-CG1 4.2Å; I123-V173 HydrophobicContact CD1-CG1 4.12Å; F141-V173 HydrophobicContact CD1-CG1 4.41Å; M166-V173 HydrophobicContact CB-CG2 3.79Å; M166-V173 HydrophobicContact CG-CG2 4.12Å; M166-V173 HydrophobicContact SD-CG2 4.17Å; D167-V173 WeakPolarHBondContact O-CA 3.16Å; I168-V173 HydrophobicContact CG1-CB 4.18Å; I168-V173 HydrophobicContact CG1-CG2 3.73Å; V173-Y192 HydrophobicContact CG1-CD1 3.61Å; V173-Y192 HydrophobicContact CG1-CG 4.15Å; V173-Y192 PolarHBondContact N-O 3.05Å; V173-Y192 PolarHBondContact O-N 2.83Å
174	V	97.8	Very high	96.1	Very high	15 Å²	15	39.2 Å²	39.2	9%	0.091	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.7	170.1	-176.3	0	0	0	0	107.8	M166 D167 T172 Y176 R189 I190 E191	M166-V174 CarbonylContact C-O 3.57Å; M166-V174 WeakPolarHBondContact CA-O 3.47Å; D167-V174 HydrophobicContact CB-CB 4.38Å; D167-V174 PolarHBondContact N-O 3.47Å; D167-V174 PolarHBondContact O-N 3.3Å; T172-V174 HydrophobicContact CG2-CG2 4.44Å; V174-Y176 HydrophobicContact CB-CE2 4.15Å; V174-Y176 HydrophobicContact CG1-CD2 4.22Å; V174-Y176 HydrophobicContact CG1-CE1 4.26Å; V174-Y176 HydrophobicContact CG1-CE2 3.54Å; V174-R189 HydrophobicContact CG1-CG 3.65Å; V174-R189 VanDerWaalsContact CG1-NE 3.28Å; V174-I190 CarbonylContact C-O 3.57Å; V174-E191 HydrophobicContact CG2-CG 4.44Å
175	T	97.9	Very high	96	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.5	-177.6	-56.7	0	0	0	0	109.2	F141 I143 V164 V177 R189 I190	F141-T175 WeakPolarHBondContact CE1-OG1 3.18Å; I143-T175 HydrophobicContact CD1-CG2 4.48Å; V164-T175 HydrophobicContact CG1-CG2 3.4Å; V164-T175 VanDerWaalsContact CG1-CG2 3.4Å; T175-V177 HydrophobicContact CG2-CG2 4.48Å; T175-R189 WeakPolarHBondContact O-CA 3.37Å; T175-I190 PolarHBondContact N-O 2.85Å; T175-I190 PolarHBondContact O-N 2.78Å
176	Y	98.1	Very high	96	Very high	69 Å²	69	45.6 Å²	45.6	27%	0.271	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126	173.3	-61	-86.7	0	0	0	109.8	V164 L165 D167 V174 V187 E188 R189	V164-Y176 CarbonylContact C-O 3.58Å; V164-Y176 WeakPolarHBondContact CA-O 3.44Å; L165-Y176 PolarHBondContact N-O 3.38Å; L165-Y176 PolarHBondContact O-N 3.29Å; D167-Y176 HydrophobicContact CB-CE2 4.23Å; V174-Y176 HydrophobicContact CB-CE2 4.15Å; V174-Y176 HydrophobicContact CG1-CD2 4.22Å; V174-Y176 HydrophobicContact CG1-CE1 4.26Å; V174-Y176 HydrophobicContact CG1-CE2 3.54Å; Y176-V187 HydrophobicContact CD1-CG1 4.26Å; Y176-E188 CarbonylContact C-O 3.58Å; Y176-E188 VanDerWaalsContact CA-O 3.31Å; Y176-E188 WeakPolarHBondContact CA-O 3.27Å; Y176-R189 HydrophobicContact CD1-CB 4.33Å; Y176-R189 HydrophobicContact CD1-CG 4.33Å; Y176-R189 HydrophobicContact CE1-CB 4.32Å; Y176-R189 HydrophobicContact CE1-CG 3.97Å
177	V	97.4	Very high	95.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.4	-177.1	-171.2	0	0	0	0	107.7	F132 V164 T175 Q179 V187 E188 I190	F132-V177 HydrophobicContact CD1-CG1 3.71Å; F132-V177 HydrophobicContact CD2-CB 4.45Å; F132-V177 HydrophobicContact CD2-CG1 3.42Å; F132-V177 VanDerWaalsContact CD2-CG1 3.42Å; F132-V177 HydrophobicContact CD2-CG2 4.22Å; F132-V177 HydrophobicContact CE1-CB 4.3Å; F132-V177 HydrophobicContact CE1-CG1 3.72Å; F132-V177 HydrophobicContact CE1-CG2 3.89Å; F132-V177 HydrophobicContact CE2-CB 4.03Å; F132-V177 HydrophobicContact CE2-CG1 3.47Å; F132-V177 VanDerWaalsContact CE2-CG1 3.47Å; F132-V177 HydrophobicContact CE2-CG2 3.35Å; F132-V177 HydrophobicContact CG-CG1 3.57Å; F132-V177 HydrophobicContact CZ-CB 3.97Å; F132-V177 HydrophobicContact CZ-CG1 3.63Å; F132-V177 HydrophobicContact CZ-CG2 3.16Å; V164-V177 HydrophobicContact CG2-CG1 4.39Å; V164-V177 HydrophobicContact CG2-CG2 4.38Å; T175-V177 HydrophobicContact CG2-CG2 4.48Å; V177-Q179 HydrophobicContact CG1-CG 4.02Å; V177-V187 VanDerWaalsContact O-CA 3.22Å; V177-V187 WeakPolarHBondContact O-CA 3.33Å; V177-E188 HydrophobicContact CB-CB 4.27Å; V177-E188 PolarHBondContact N-O 3.24Å; V177-E188 PolarHBondContact O-N 3.02Å; V177-I190 HydrophobicContact CG2-CD1 4.26Å
178	Y	98.1	Very high	95.9	Very high	44 Å²	44	52.1 Å²	52.1	17%	0.173	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.7	177.9	-68.6	-99.8	0	0	0	108.4	L38 S162 F163 L165 V185 K186 V187	L38-Y178 HydrophobicContact CD1-CD1 3.83Å; L38-Y178 HydrophobicContact CD1-CE1 4.09Å; S162-Y178 CarbonylContact C-O 3.56Å; S162-Y178 WeakPolarHBondContact CA-O 3.27Å; S162-Y178 WeakPolarHBondContact CB-O 3.5Å; F163-Y178 HydrophobicContact CD2-CD2 4.09Å; F163-Y178 HydrophobicContact CD2-CG 4.47Å; F163-Y178 VanDerWaalsContact CE1-CB 3.42Å; F163-Y178 HydrophobicContact CE1-CD1 4.48Å; F163-Y178 HydrophobicContact CE1-CD2 4.42Å; F163-Y178 AromaticContact CE1-CG 3.89Å; F163-Y178 HydrophobicContact CE1-CG 3.89Å; F163-Y178 AromaticContact CE2-CD2 3.39Å; F163-Y178 HydrophobicContact CE2-CD2 3.39Å; F163-Y178 HydrophobicContact CE2-CE2 4.01Å; F163-Y178 AromaticContact CE2-CG 3.7Å; F163-Y178 HydrophobicContact CE2-CG 3.7Å; F163-Y178 VanDerWaalsContact CZ-CB 3.46Å; F163-Y178 AromaticContact CZ-CD1 3.9Å; F163-Y178 HydrophobicContact CZ-CD1 3.9Å; F163-Y178 AromaticContact CZ-CD2 3.59Å; F163-Y178 HydrophobicContact CZ-CD2 3.59Å; F163-Y178 HydrophobicContact CZ-CE2 4.3Å; F163-Y178 AromaticContact CZ-CG 3.36Å; F163-Y178 HydrophobicContact CZ-CG 3.36Å; F163-Y178 PolarHBondContact N-O 3.48Å; F163-Y178 PolarHBondContact O-N 2.99Å; L165-Y178 HydrophobicContact CB-CE2 3.95Å; L165-Y178 HydrophobicContact CD2-CE2 4.26Å; Y178-V185 HydrophobicContact CD1-CG1 3.85Å; Y178-K186 WeakPolarHBondContact CA-O 3.46Å; Y178-V187 HydrophobicContact CD1-CG2 3.61Å; Y178-V187 HydrophobicContact CE1-CG1 4.32Å; Y178-V187 HydrophobicContact CE1-CG2 3.57Å; Y178-V187 HydrophobicContact CE2-CG1 4.49Å; Y178-V187 HydrophobicContact CG-CG2 4.39Å
179	Q	98	Very high	95.9	Very high	28 Å²	28	58.5 Å²	58.5	13%	0.131	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.4	178	-62	-171.3	-68.7	0	0	110.4	I160 P161 V177 I181 V185 K186	I160-Q179 HydrophobicContact CG2-CB 3.93Å; P161-Q179 WeakPolarHBondContact O-CA 3.22Å; V177-Q179 HydrophobicContact CG1-CG 4.02Å; Q179-I181 HydrophobicContact CB-CD1 4.41Å; Q179-I181 HydrophobicContact CB-CG1 4.49Å; Q179-V185 CarbonylContact O-C 3.44Å; Q179-V185 WeakPolarHBondContact O-CA 3.29Å; Q179-K186 PolarHBondContact N-O 3.45Å; Q179-K186 PolarHBondContact O-N 3.29Å
180	L	97.1	Very high	96.1	Very high	30 Å²	30	56 Å²	56	16%	0.157	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	101.5	175.3	-173.8	71	0	0	0	110.3	P32 K34 F35 I160 P161 V185	P32-L180 HydrophobicContact CB-CD2 3.57Å; P32-L180 HydrophobicContact CG-CD2 3.85Å; K34-L180 HydrophobicContact CB-CD1 4.43Å; K34-L180 HydrophobicContact CD-CD1 4.24Å; F35-L180 HydrophobicContact CE1-CB 4.01Å; F35-L180 HydrophobicContact CZ-CB 3.85Å; I160-L180 WeakPolarHBondContact CG2-O 2.87Å; P161-L180 HydrophobicContact CB-CB 4.12Å; P161-L180 HydrophobicContact CG-CB 4.23Å; P161-L180 HydrophobicContact CG-CD2 4.29Å; P161-L180 PolarHBondContact O-N 2.82Å; L180-V185 HydrophobicContact CD1-CG2 3.97Å
181	I	94.9	Very high	96.3	Very high	63 Å²	63	58.8 Å²	58.8	32%	0.323	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	110.2	-178.8	-66.1	163	0	0	0	108.9	I160 Q179 D183 D184 K186	I160-I181 HydrophobicContact CD1-CG1 4.31Å; I160-I181 HydrophobicContact CG2-CG1 4Å; Q179-I181 HydrophobicContact CB-CD1 4.41Å; Q179-I181 HydrophobicContact CB-CG1 4.49Å; I181-D183 PolarHBondContact O-N 2.69Å; I181-D184 PolarHBondContact N-O 2.73Å; I181-D184 PolarHBondContact O-N 3Å; I181-K186 HydrophobicContact CD1-CB 4.33Å; I181-K186 HydrophobicContact CD1-CD 3.68Å; I181-K186 HydrophobicContact CD1-CG 4.06Å
182	G	91.3	Very high	96.4	Very high	68 Å²	68	57.3 Å²	57.3	70%	0.701	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	-122.6	-167.1	0	0	0	0	0	108.9
183	D	90.6	Very high	96.4	Very high	134 Å²	134	61.9 Å²	61.9	72%	0.717	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-14	173.1	-77.3	-46	0	0	0	113	K34 I181	K34-D183 WeakPolarHBondContact CD-O 3.1Å; K34-D183 WeakPolarHBondContact CE-O 3.45Å; K34-D183 PolarHBondContact NZ-O 3.29Å; I181-D183 PolarHBondContact O-N 2.69Å
184	D	95.2	Very high	96.1	Very high	104 Å²	104	64.9 Å²	64.9	56%	0.556	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	142.2	-168.1	-68.3	-41.6	0	0	0	114.4	K34 I181	K34-D184 IonicContact NZ-OD1 2.74Å; K34-D184 PolarHBondContact NZ-OD1 3.04Å; I181-D184 PolarHBondContact N-O 2.73Å; I181-D184 PolarHBondContact O-N 3Å
185	V	97	Very high	95.3	Very high	43 Å²	43	70.9 Å²	70.9	26%	0.261	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	112.8	173.2	-179.7	0	0	0	0	108.1	K34 F35 L38 Y178 Q179 L180 V187	K34-V185 HydrophobicContact CB-CG2 3.65Å; K34-V185 HydrophobicContact CD-CG2 3.9Å; K34-V185 HydrophobicContact CG-CG2 4.41Å; F35-V185 HydrophobicContact CD1-CG2 4.28Å; F35-V185 HydrophobicContact CE1-CG1 4.29Å; F35-V185 HydrophobicContact CE1-CG2 4.14Å; L38-V185 HydrophobicContact CD1-CG1 4.04Å; L38-V185 HydrophobicContact CD1-CG2 4.45Å; Y178-V185 HydrophobicContact CD1-CG1 3.85Å; Q179-V185 CarbonylContact O-C 3.44Å; Q179-V185 WeakPolarHBondContact O-CA 3.29Å; L180-V185 HydrophobicContact CD1-CG2 3.97Å; V185-V187 HydrophobicContact CG1-CG2 4.36Å
186	K	97.3	Very high	95.1	Very high	113 Å²	113	74.5 Å²	74.5	49%	0.491	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	144.2	169.5	-62.2	-158	-171.2	172.3	0	109.7	Y178 Q179 I181	Y178-K186 WeakPolarHBondContact CA-O 3.46Å; Q179-K186 PolarHBondContact N-O 3.45Å; Q179-K186 PolarHBondContact O-N 3.29Å; I181-K186 HydrophobicContact CD1-CB 4.33Å; I181-K186 HydrophobicContact CD1-CD 3.68Å; I181-K186 HydrophobicContact CD1-CG 4.06Å
187	V	97.3	Very high	95	Very high	76 Å²	76	74.7 Å²	74.7	46%	0.461	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.7	178.7	-171.7	0	0	0	0	109.6	Y176 V177 Y178 V185	Y176-V187 HydrophobicContact CD1-CG1 4.26Å; V177-V187 VanDerWaalsContact O-CA 3.22Å; V177-V187 WeakPolarHBondContact O-CA 3.33Å; Y178-V187 HydrophobicContact CD1-CG2 3.61Å; Y178-V187 HydrophobicContact CE1-CG1 4.32Å; Y178-V187 HydrophobicContact CE1-CG2 3.57Å; Y178-V187 HydrophobicContact CE2-CG1 4.49Å; Y178-V187 HydrophobicContact CG-CG2 4.39Å; V185-V187 HydrophobicContact CG1-CG2 4.36Å
188	E	96.4	Very high	94.9	Very high	96 Å²	96	78.9 Å²	78.9	45%	0.449	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	148.1	171.9	-61.2	-175.5	-178.7	0	0	109.9	Y176 V177	Y176-E188 CarbonylContact C-O 3.58Å; Y176-E188 VanDerWaalsContact CA-O 3.31Å; Y176-E188 WeakPolarHBondContact CA-O 3.27Å; V177-E188 HydrophobicContact CB-CB 4.27Å; V177-E188 PolarHBondContact N-O 3.24Å; V177-E188 PolarHBondContact O-N 3.02Å
189	R	97.2	Very high	94.7	Very high	134 Å²	134	80.9 Å²	80.9	51%	0.506	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.1	-179.4	-177.4	-171.1	-180	-82.7	-0.4	109.6	V174 T175 Y176 E191	V174-R189 HydrophobicContact CG1-CG 3.65Å; V174-R189 VanDerWaalsContact CG1-NE 3.28Å; T175-R189 WeakPolarHBondContact O-CA 3.37Å; Y176-R189 HydrophobicContact CD1-CB 4.33Å; Y176-R189 HydrophobicContact CD1-CG 4.33Å; Y176-R189 HydrophobicContact CE1-CB 4.32Å; Y176-R189 HydrophobicContact CE1-CG 3.97Å; R189-E191 IonicContact CZ-OE2 3.31Å; R189-E191 IonicContact NH1-OE2 3.94Å; R189-E191 PolarHBondContact NH1-OE2 3.32Å; R189-E191 IonicContact NH2-OE2 2.72Å; R189-E191 PolarHBondContact NH2-OE2 2.82Å
190	I	97.3	Very high	94.5	Very high	43 Å²	43	84.3 Å²	84.3	22%	0.221	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.6	176.7	-59	164.7	0	0	0	108	F132 A134 F141 V174 T175 V177	F132-I190 HydrophobicContact CZ-CD1 4Å; A134-I190 HydrophobicContact CB-CD1 3.74Å; F141-I190 HydrophobicContact CE2-CG2 4.19Å; F141-I190 HydrophobicContact CZ-CG2 4.02Å; V174-I190 CarbonylContact C-O 3.57Å; T175-I190 PolarHBondContact N-O 2.85Å; T175-I190 PolarHBondContact O-N 2.78Å; V177-I190 HydrophobicContact CG2-CD1 4.26Å
191	E	96.8	Very high	94.3	Very high	105 Å²	105	87.9 Å²	87.9	49%	0.491	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.4	-179.8	-171.7	172.5	131	0	0	109.8	T172 V174 R189	T172-E191 HydrophobicContact CG2-CG 3.86Å; V174-E191 HydrophobicContact CG2-CG 4.44Å; R189-E191 IonicContact CZ-OE2 3.31Å; R189-E191 IonicContact NH1-OE2 3.94Å; R189-E191 PolarHBondContact NH1-OE2 3.32Å; R189-E191 IonicContact NH2-OE2 2.72Å; R189-E191 PolarHBondContact NH2-OE2 2.82Å
192	Y	96.6	Very high	94.2	Very high	3 Å²	3	89.6 Å²	89.6	1%	0.012	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.2	171.9	166.7	-108.7	0	0	0	109	F93 E136 N139 F141 V173	F93-Y192 HydrophobicContact CD1-CE1 4.26Å; F93-Y192 AromaticContact CE1-CD1 3.88Å; F93-Y192 HydrophobicContact CE1-CD1 3.88Å; F93-Y192 AromaticContact CE1-CE1 3.63Å; F93-Y192 HydrophobicContact CE1-CE1 3.63Å; E136-Y192 HydrophobicContact CG-CD2 4.18Å; E136-Y192 HydrophobicContact CG-CE2 4.11Å; N139-Y192 PolarHBondContact O-OH 2.83Å; F141-Y192 HydrophobicContact CB-CD1 3.6Å; F141-Y192 HydrophobicContact CB-CD2 4.04Å; F141-Y192 HydrophobicContact CB-CE1 3.77Å; F141-Y192 HydrophobicContact CB-CE2 4.2Å; F141-Y192 HydrophobicContact CB-CG 3.75Å; F141-Y192 HydrophobicContact CD1-CD1 4.27Å; F141-Y192 HydrophobicContact CD1-CG 4.32Å; F141-Y192 HydrophobicContact CD2-CD2 4.23Å; F141-Y192 AromaticContact CD2-CG 3.99Å; F141-Y192 HydrophobicContact CD2-CG 3.99Å; F141-Y192 AromaticContact CG-CD1 3.95Å; F141-Y192 HydrophobicContact CG-CD1 3.95Å; F141-Y192 HydrophobicContact CG-CD2 4.3Å; F141-Y192 AromaticContact CG-CG 3.78Å; F141-Y192 HydrophobicContact CG-CG 3.78Å; V173-Y192 HydrophobicContact CG1-CD1 3.61Å; V173-Y192 HydrophobicContact CG1-CG 4.15Å; V173-Y192 PolarHBondContact N-O 3.05Å; V173-Y192 PolarHBondContact O-N 2.83Å
193	K	95.9	Very high	94.5	Very high	131 Å²	131	91.3 Å²	91.3	57%	0.57	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.9	177.7	-173.3	177.8	179.5	-178.8	0	108.9	S171 S195	S171-K193 WeakPolarHBondContact O-CA 3.37Å; K193-S195 PolarHBondContact O-N 3.31Å
194	K	89.8	Confident	94.8	Very high	63 Å²	63	87.8 Å²	87.8	27%	0.274	44%	0.44	S	S	.	.			trans	-62.9	127	174.6	-170.7	168	175.7	169.1	0	109.2	Q92 F93 D122 S171	Q92-K194 PolarHBondContact O-NZ 2.89Å; F93-K194 HydrophobicContact CD1-CD 4.44Å; F93-K194 HydrophobicContact CE1-CB 3.82Å; F93-K194 HydrophobicContact CE1-CD 4.43Å; F93-K194 HydrophobicContact CZ-CB 4.22Å; D122-K194 VanDerWaalsContact CG-NZ 3.28Å; D122-K194 VanDerWaalsContact OD1-CE 3.32Å; D122-K194 WeakPolarHBondContact OD1-CE 3.49Å; D122-K194 IonicContact OD1-NZ 3.98Å; D122-K194 PolarHBondContact OD1-NZ 3.44Å; D122-K194 IonicContact OD2-NZ 3.13Å; D122-K194 PolarHBondContact OD2-NZ 3.31Å; S171-K194 PolarHBondContact O-N 3.27Å
195	S	80.9	Confident	94.8	Very high	142 Å²	142	86.3 Å²	86.3	99%	0.993	43%	0.43	S	S	*	.			trans	-71.1	0	176.3	-46.4	0	0	0	0	112.2	K193	K193-S195 PolarHBondContact O-N 3.31Å

Retrieved 195 of 195 residues in 69 ms (Link to these results)

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