A0A077Z6B1_TRITR Loading...

GPI maturation protein (Bst1)

AlphaFold DB , UniProt , Accession A0A077Z6B1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 138 aa.

						>A0A077Z6B1_TRITR|A0A077Z6B1
METVEPSVFILHENVNVVDVAIRFSGLKPRNALDKMIGFFKEEPLPDRLFKNASFSLWNLSSCSLQLEVTIRSTPNVDLRYRYLIAKFPCEIDVHRSKLKAQHTPRDSHGFLILSLYKREPGCDWKTHLAMHGSLDAR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54	Low	82	Confident	161 Å²	161	87.6 Å²	87.6	79%	0.793	45%	0.454	S	S	*	.				0	120	0	-133	177.7	177.8	0	0	106	D78	M1-D78 HydrophobicContact CE-CB 4.09Å
2	E	60.2	Low	83	Confident	174 Å²	174	88.3 Å²	88.3	81%	0.813	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-84.8	130.3	-175.2	-68.1	177.5	161.9	0	0	110.1
3	T	67.5	Low	83.9	Confident	96 Å²	96	84.5 Å²	84.5	59%	0.589	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	122.2	170.9	-54.3	0	0	0	0	107.7	R82	T3-R82 HydrophobicContact CG2-CB 3.85Å
4	V	80.4	Confident	84.7	Confident	58 Å²	58	83 Å²	83	35%	0.352	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	140.8	177.9	-173.9	0	0	0	0	108.7	R80 Y81	V4-R80 PolarHBondContact N-O 3.49Å; V4-R80 VanDerWaalsContact N-O 3.08Å; V4-Y81 HydrophobicContact CB-CD1 3.84Å; V4-Y81 HydrophobicContact CB-CE1 3.54Å; V4-Y81 HydrophobicContact CG1-CD1 4.17Å; V4-Y81 HydrophobicContact CG1-CE1 3.54Å; V4-Y81 WeakPolarHBondContact O-CA 3.39Å; V4-Y81 WeakPolarHBondContact O-CD1 3.48Å
5	E	85.5	Confident	85.3	Confident	172 Å²	172	82.8 Å²	82.8	80%	0.804	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-81.7	134	171.1	-68.7	-168.4	156.4	0	0	110.5
6	P	91	Very high	85.8	Confident	13 Å²	13	82.6 Å²	82.6	8%	0.084	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-74.1	157.8	172.7	31.9	-33.6	0	0	0	111.3	I22 R23 F24 Y81 Y83	P6-I22 HydrophobicContact CB-CG2 3.58Å; P6-I22 HydrophobicContact CG-CG2 3.79Å; P6-R23 WeakPolarHBondContact CA-O 3.15Å; P6-R23 VanDerWaalsContact CB-O 3.23Å; P6-R23 WeakPolarHBondContact CB-O 3.46Å; P6-F24 HydrophobicContact CB-CD1 3.67Å; P6-F24 HydrophobicContact CB-CE1 3.72Å; P6-F24 HydrophobicContact CB-CG 4.32Å; P6-F24 HydrophobicContact CB-CZ 4.42Å; P6-F24 HydrophobicContact CG-CD1 4.31Å; P6-F24 HydrophobicContact CG-CE1 3.9Å; P6-Y81 HydrophobicContact CB-CD1 4.32Å; P6-Y83 HydrophobicContact CG-CD2 3.75Å; P6-Y83 HydrophobicContact CG-CG 3.81Å
7	S	90.5	Very high	86.3	Confident	53 Å²	53	78.8 Å²	78.8	37%	0.371	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	138.9	169.9	-46.1	0	0	0	0	110.4	F9 R23	S7-F9 VanDerWaalsContact CB-CE2 3.49Å; S7-R23 PolarHBondContact N-O 2.76Å; S7-R23 VanDerWaalsContact N-O 3.08Å; S7-R23 PolarHBondContact O-N 3.37Å
8	V	92.8	Very high	86.9	Confident	28 Å²	28	74.4 Å²	74.4	17%	0.17	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.4	-175	-178.1	0	0	0	0	110.2	V20 A21 I22 Y83 L135	V8-V20 HydrophobicContact CG1-CG1 3.84Å; V8-A21 CarbonylContact C-O 3.54Å; V8-A21 WeakPolarHBondContact CA-O 3.45Å; V8-I22 HydrophobicContact CG2-CG1 4.49Å; V8-I22 HydrophobicContact CG2-CG2 4.41Å; V8-Y83 HydrophobicContact CG2-CD2 4.49Å; V8-Y83 HydrophobicContact CG2-CE1 4.11Å; V8-Y83 HydrophobicContact CG2-CE2 3.76Å; V8-L135 HydrophobicContact CG1-CD1 3.87Å
9	F	93.1	Very high	87.3	Confident	86 Å²	86	72.3 Å²	72.3	38%	0.377	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.2	-176.8	-49.4	-87.2	0	0	0	110.7	S7 V20 A21 R23 F111	S7-F9 VanDerWaalsContact CB-CE2 3.49Å; F9-V20 CarbonylContact O-C 3.59Å; F9-V20 WeakPolarHBondContact O-CA 3.48Å; F9-A21 HydrophobicContact CB-CB 4.43Å; F9-A21 PolarHBondContact N-O 2.94Å; F9-A21 PolarHBondContact O-N 3Å; F9-R23 HydrophobicContact CE2-CB 4.08Å; F9-F111 HydrophobicContact CD2-CE1 4.13Å; F9-F111 HydrophobicContact CE2-CE1 4.11Å
10	I	95	Very high	87.7	Confident	27 Å²	27	68.9 Å²	68.9	14%	0.138	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	111	165.6	-56.6	-60.2	0	0	0	107.6	E13 V18 V20 W125 K126 L129 L135	I10-E13 HydrophobicContact CG2-CB 3.99Å; I10-V18 HydrophobicContact CD1-CG2 3.71Å; I10-V18 HydrophobicContact CG2-CG2 3.88Å; I10-V20 HydrophobicContact CD1-CB 4.48Å; I10-V20 HydrophobicContact CD1-CG2 3.82Å; I10-W125 HydrophobicContact CD1-CB 4.49Å; I10-K126 HydrophobicContact CB-CB 4.5Å; I10-K126 HydrophobicContact CG2-CB 4.29Å; I10-L129 HydrophobicContact CG1-CD2 3.81Å; I10-L135 HydrophobicContact CD1-CD1 4.14Å; I10-L135 HydrophobicContact CD1-CD2 4.15Å
11	L	92.5	Very high	87.9	Confident	96 Å²	96	65.6 Å²	65.6	50%	0.503	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-43.6	-179.9	-63.5	-176.6	0	0	0	111.6	D19 A21 I113	L11-D19 HydrophobicContact CB-CB 4.3Å; L11-D19 PolarHBondContact N-O 2.96Å; L11-A21 HydrophobicContact CD1-CB 3.69Å; L11-A21 HydrophobicContact CD2-CB 3.91Å; L11-A21 HydrophobicContact CG-CB 3.58Å; L11-I113 HydrophobicContact CD1-CD1 3.53Å; L11-I113 HydrophobicContact CD1-CG1 3.89Å; L11-I113 HydrophobicContact CD1-CG2 4.46Å
12	H	93.4	Very high	89.8	Confident	95 Å²	95	57.9 Å²	57.9	44%	0.44	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	146.7	179.9	177.3	71.1	0	0	0	109.1	N14 D19	H12-N14 PolarHBondContact NE2-ND2 3.42Å; H12-D19 HydrophobicContact CB-CB 4.19Å; H12-D19 IonicContact CD2-OD2 3.93Å; H12-D19 PolarHBondContact O-N 3.31Å
13	E	95.4	Very high	91.3	Very high	40 Å²	40	53 Å²	53	19%	0.187	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	136	174.1	-176.4	170.4	-164	0	0	109.5	I10 V17 V18 K118 W125 K126	I10-E13 HydrophobicContact CG2-CB 3.99Å; E13-V17 WeakPolarHBondContact CA-O 3.43Å; E13-V18 HydrophobicContact CB-CG2 4.27Å; E13-V18 HydrophobicContact CG-CB 4.21Å; E13-V18 HydrophobicContact CG-CG2 4.18Å; E13-K118 VanDerWaalsContact CG-NZ 3.34Å; E13-K118 WeakPolarHBondContact OE1-CE 3.28Å; E13-K118 IonicContact OE1-NZ 3.61Å; E13-K118 PolarHBondContact OE1-NZ 2.92Å; E13-W125 WeakPolarHBondContact OE1-CB 3.17Å; E13-W125 PolarHBondContact OE1-N 2.94Å; E13-W125 PolarHBondContact OE2-N 2.97Å; E13-K126 WeakPolarHBondContact OE2-CB 3.47Å; E13-K126 PolarHBondContact OE2-N 2.94Å
14	N	94.1	Very high	92.3	Very high	63 Å²	63	48.4 Å²	48.4	34%	0.337	25%	0.25	S	C	.	.			trans	-132.4	-173.3	168.6	65	57.3	0	0	0	109.7	H12 N16 V17 K118	H12-N14 PolarHBondContact NE2-ND2 3.42Å; N14-N16 PolarHBondContact O-N 3.49Å; N14-N16 VanDerWaalsContact O-N 3.16Å; N14-N16 PolarHBondContact OD1-N 3.43Å; N14-V17 PolarHBondContact N-O 3.23Å; N14-V17 PolarHBondContact OD1-N 3.09Å; N14-K118 PolarHBondContact O-NZ 2.83Å
15	V	93.3	Very high	92.7	Very high	80 Å²	80	48.2 Å²	48.2	49%	0.485	25%	0.251	S	S	.	.	S	Bend	trans	-59.3	-28.4	-176.2	69.4	0	0	0	0	113.6	P121	V15-P121 HydrophobicContact CG2-CB 3.86Å
16	N	93.9	Very high	92.7	Very high	79 Å²	79	41 Å²	41	42%	0.422	22%	0.224	S	C	.	.	S	Bend	trans	-115.2	-20.7	-173.4	-64.7	-43.8	0	0	0	114	N14 Y117 K118	N14-N16 PolarHBondContact O-N 3.49Å; N14-N16 VanDerWaalsContact O-N 3.16Å; N14-N16 PolarHBondContact OD1-N 3.43Å; N16-Y117 CarbonylContact O-C 3.51Å; N16-Y117 WeakPolarHBondContact O-CA 3.19Å; N16-K118 PolarHBondContact O-N 2.92Å
17	V	94.8	Very high	92.6	Very high	18 Å²	18	40.5 Å²	40.5	11%	0.109	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	140.7	-169.5	-172.8	0	0	0	0	110.4	E13 N14 L116 Y117	E13-V17 WeakPolarHBondContact CA-O 3.43Å; N14-V17 PolarHBondContact N-O 3.23Å; N14-V17 PolarHBondContact OD1-N 3.09Å; V17-L116 WeakPolarHBondContact CA-O 3.14Å; V17-Y117 HydrophobicContact CG2-CD1 3.48Å; V17-Y117 VanDerWaalsContact CG2-CD1 3.48Å; V17-Y117 HydrophobicContact CG2-CE1 3.38Å; V17-Y117 HydrophobicContact CG2-CE2 4.48Å; V17-Y117 HydrophobicContact CG2-CG 4.09Å
18	V	95.9	Very high	92.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.8	170.8	61.7	0	0	0	0	109.7	I10 E13 V20 L116 W125	I10-V18 HydrophobicContact CD1-CG2 3.71Å; I10-V18 HydrophobicContact CG2-CG2 3.88Å; E13-V18 HydrophobicContact CB-CG2 4.27Å; E13-V18 HydrophobicContact CG-CB 4.21Å; E13-V18 HydrophobicContact CG-CG2 4.18Å; V18-V20 HydrophobicContact CG1-CG2 4.39Å; V18-V20 HydrophobicContact CG2-CG2 4.17Å; V18-L116 HydrophobicContact CG1-CB 3.88Å; V18-L116 PolarHBondContact N-O 2.74Å; V18-L116 PolarHBondContact O-N 2.89Å; V18-W125 HydrophobicContact CG1-CD2 3.86Å; V18-W125 HydrophobicContact CG1-CE3 3.82Å; V18-W125 HydrophobicContact CG1-CG 4.37Å; V18-W125 HydrophobicContact CG1-CH2 4.36Å; V18-W125 HydrophobicContact CG1-CZ2 4.41Å; V18-W125 HydrophobicContact CG1-CZ3 4.09Å; V18-W125 HydrophobicContact CG2-CB 4.07Å; V18-W125 HydrophobicContact CG2-CD2 4.37Å; V18-W125 HydrophobicContact CG2-CE3 4.24Å; V18-W125 HydrophobicContact CG2-CG 4.34Å
19	D	94.8	Very high	92	Very high	35 Å²	35	41.1 Å²	41.1	19%	0.187	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	101.5	175.9	-69.3	-27.7	0	0	0	109.1	L11 H12 I113 L114 S115	L11-D19 HydrophobicContact CB-CB 4.3Å; L11-D19 PolarHBondContact N-O 2.96Å; H12-D19 HydrophobicContact CB-CB 4.19Å; H12-D19 IonicContact CD2-OD2 3.93Å; H12-D19 PolarHBondContact O-N 3.31Å; D19-I113 HydrophobicContact CB-CG2 4.37Å; D19-L114 WeakPolarHBondContact CA-O 3.3Å; D19-S115 WeakPolarHBondContact OD1-CA 3.11Å; D19-S115 WeakPolarHBondContact OD1-CB 3.39Å; D19-S115 PolarHBondContact OD1-OG 3.29Å
20	V	95.4	Very high	91.5	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	118.9	178.8	-175.3	0	0	0	0	109.3	V8 F9 I10 V18 I22 I113 L114 L116 W125 L135	V8-V20 HydrophobicContact CG1-CG1 3.84Å; F9-V20 CarbonylContact O-C 3.59Å; F9-V20 WeakPolarHBondContact O-CA 3.48Å; I10-V20 HydrophobicContact CD1-CB 4.48Å; I10-V20 HydrophobicContact CD1-CG2 3.82Å; V18-V20 HydrophobicContact CG1-CG2 4.39Å; V18-V20 HydrophobicContact CG2-CG2 4.17Å; V20-I22 HydrophobicContact CG1-CG1 4.35Å; V20-I113 CarbonylContact O-C 3.59Å; V20-I113 WeakPolarHBondContact O-CA 3.5Å; V20-L114 HydrophobicContact CB-CB 4.48Å; V20-L114 PolarHBondContact N-O 3.41Å; V20-L114 PolarHBondContact O-N 3.38Å; V20-L116 HydrophobicContact CG2-CD1 4.08Å; V20-W125 HydrophobicContact CG2-CE3 4.17Å; V20-W125 HydrophobicContact CG2-CZ3 4.05Å; V20-L135 HydrophobicContact CG1-CD1 3.73Å; V20-L135 HydrophobicContact CG2-CD1 4.1Å
21	A	93.2	Very high	90.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.8	172.7	0	0	0	0	0	111.1	V8 F9 L11 F111 I113	V8-A21 CarbonylContact C-O 3.54Å; V8-A21 WeakPolarHBondContact CA-O 3.45Å; F9-A21 HydrophobicContact CB-CB 4.43Å; F9-A21 PolarHBondContact N-O 2.94Å; F9-A21 PolarHBondContact O-N 3Å; L11-A21 HydrophobicContact CD1-CB 3.69Å; L11-A21 HydrophobicContact CD2-CB 3.91Å; L11-A21 HydrophobicContact CG-CB 3.58Å; A21-F111 HydrophobicContact CB-CB 4.46Å; A21-F111 HydrophobicContact CB-CD1 3.95Å; A21-F111 HydrophobicContact CB-CG 4.48Å; A21-I113 HydrophobicContact CB-CG1 4.14Å
22	I	93.4	Very high	89.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116.5	172.7	-49.4	179.9	0	0	0	108	P6 V8 V20 F24 L65 L67 Y83 L112 L114	P6-I22 HydrophobicContact CB-CG2 3.58Å; P6-I22 HydrophobicContact CG-CG2 3.79Å; V8-I22 HydrophobicContact CG2-CG1 4.49Å; V8-I22 HydrophobicContact CG2-CG2 4.41Å; V20-I22 HydrophobicContact CG1-CG1 4.35Å; I22-F24 HydrophobicContact CB-CE2 3.93Å; I22-F24 HydrophobicContact CB-CZ 4.21Å; I22-F24 HydrophobicContact CG2-CD2 4.14Å; I22-F24 HydrophobicContact CG2-CE1 3.95Å; I22-F24 HydrophobicContact CG2-CE2 3.48Å; I22-F24 VanDerWaalsContact CG2-CE2 3.48Å; I22-F24 HydrophobicContact CG2-CZ 3.37Å; I22-L65 HydrophobicContact CD1-CD2 3.89Å; I22-L67 HydrophobicContact CD1-CD2 3.9Å; I22-Y83 HydrophobicContact CD1-CD1 3.87Å; I22-Y83 HydrophobicContact CD1-CE1 3.98Å; I22-L112 PolarHBondContact N-O 3.07Å; I22-L112 PolarHBondContact O-N 2.82Å; I22-L114 HydrophobicContact CD1-CD1 3.55Å; I22-L114 HydrophobicContact CG1-CD1 3.9Å
23	R	90.9	Very high	87.6	Confident	70 Å²	70	49.1 Å²	49.1	26%	0.264	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122	177.6	-170.9	-175.6	173.3	-150.4	0.9	109.7	P6 S7 F9 H109 F111	P6-R23 WeakPolarHBondContact CA-O 3.15Å; P6-R23 VanDerWaalsContact CB-O 3.23Å; P6-R23 WeakPolarHBondContact CB-O 3.46Å; S7-R23 PolarHBondContact N-O 2.76Å; S7-R23 VanDerWaalsContact N-O 3.08Å; S7-R23 PolarHBondContact O-N 3.37Å; F9-R23 HydrophobicContact CE2-CB 4.08Å; R23-H109 PolarHBondContact NH2-CD2 2.9Å; R23-H109 PolarHBondContact NH2-CE1 3.22Å; R23-H109 VanDerWaalsContact NH2-CG 3.34Å; R23-H109 PolarHBondContact NH2-ND1 3.29Å; R23-H109 PolarHBondContact NH2-NE2 2.89Å; R23-F111 HydrophobicContact CB-CD1 3.67Å; R23-F111 HydrophobicContact CB-CE1 3.55Å; R23-F111 HydrophobicContact CG-CD1 4.13Å; R23-F111 HydrophobicContact CG-CE1 3.81Å; R23-F111 HydrophobicContact CG-CZ 4.32Å
24	F	89.8	Confident	86	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.279	C	S	.	.			trans	-112.2	130.7	169.6	-51.7	-92.4	0	0	0	109	P6 I22 G26 L27 L67 V69 I71 Y81 L112	P6-F24 HydrophobicContact CB-CD1 3.67Å; P6-F24 HydrophobicContact CB-CE1 3.72Å; P6-F24 HydrophobicContact CB-CG 4.32Å; P6-F24 HydrophobicContact CB-CZ 4.42Å; P6-F24 HydrophobicContact CG-CD1 4.31Å; P6-F24 HydrophobicContact CG-CE1 3.9Å; I22-F24 HydrophobicContact CB-CE2 3.93Å; I22-F24 HydrophobicContact CB-CZ 4.21Å; I22-F24 HydrophobicContact CG2-CD2 4.14Å; I22-F24 HydrophobicContact CG2-CE1 3.95Å; I22-F24 HydrophobicContact CG2-CE2 3.48Å; I22-F24 VanDerWaalsContact CG2-CE2 3.48Å; I22-F24 HydrophobicContact CG2-CZ 3.37Å; F24-G26 PolarHBondContact O-N 3.18Å; F24-L27 HydrophobicContact CB-CB 4.21Å; F24-L27 HydrophobicContact CD2-CD2 3.92Å; F24-L27 VanDerWaalsContact O-CB 3.3Å; F24-L27 WeakPolarHBondContact O-CB 3.37Å; F24-L27 PolarHBondContact O-N 3.36Å; F24-L67 HydrophobicContact CE1-CD1 3.73Å; F24-L67 HydrophobicContact CZ-CD1 3.54Å; F24-L67 HydrophobicContact CZ-CD2 4.17Å; F24-V69 HydrophobicContact CD1-CG1 3.56Å; F24-V69 HydrophobicContact CE1-CG1 3.41Å; F24-V69 VanDerWaalsContact CE1-CG1 3.41Å; F24-V69 HydrophobicContact CG-CG1 4.2Å; F24-V69 HydrophobicContact CZ-CG1 3.92Å; F24-I71 HydrophobicContact CB-CD1 3.22Å; F24-I71 HydrophobicContact CG-CD1 4.08Å; F24-Y81 HydrophobicContact CB-CD2 4.31Å; F24-Y81 HydrophobicContact CB-CE2 4.2Å; F24-Y81 AromaticContact CD1-CD1 3.82Å; F24-Y81 HydrophobicContact CD1-CD1 3.82Å; F24-Y81 AromaticContact CD1-CD2 3.94Å; F24-Y81 HydrophobicContact CD1-CD2 3.94Å; F24-Y81 HydrophobicContact CD1-CE1 4.49Å; F24-Y81 AromaticContact CD1-CG 3.53Å; F24-Y81 HydrophobicContact CD1-CG 3.53Å; F24-Y81 HydrophobicContact CE1-CG 4.25Å; F24-L112 HydrophobicContact CE2-CB 4.06Å; F24-L112 HydrophobicContact CE2-CD2 4.3Å
25	S	87.2	Confident	84.5	Confident	55 Å²	55	52.4 Å²	52.4	39%	0.385	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	133.5	-177.9	-54.1	0	0	0	0	110.5	L27 Y81	S25-L27 VanDerWaalsContact C-N 3.27Å; S25-L27 PolarHBondContact O-N 2.82Å; S25-Y81 WeakPolarHBondContact CA-OH 3.32Å; S25-Y81 WeakPolarHBondContact CB-OH 3.2Å; S25-Y81 PolarHBondContact N-OH 2.8Å; S25-Y81 PolarHBondContact O-OH 3.18Å
26	G	86.8	Confident	83	Confident	21 Å²	21	54 Å²	54	22%	0.216	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	3.1	-179	0	0	0	0	0	115.1	F24 K28 N52 I71	F24-G26 PolarHBondContact O-N 3.18Å; G26-K28 PolarHBondContact O-N 3.41Å; G26-N52 PolarHBondContact O-ND2 3.41Å; G26-I71 WeakPolarHBondContact O-CG2 3.4Å
27	L	88.2	Confident	81.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.273	C	S	.	.			trans	-63.2	130.2	175.3	-168.7	67.7	0	0	0	110.7	F24 S25 F50 A53 I71 G110	F24-L27 HydrophobicContact CB-CB 4.21Å; F24-L27 HydrophobicContact CD2-CD2 3.92Å; F24-L27 VanDerWaalsContact O-CB 3.3Å; F24-L27 WeakPolarHBondContact O-CB 3.37Å; F24-L27 PolarHBondContact O-N 3.36Å; S25-L27 VanDerWaalsContact C-N 3.27Å; S25-L27 PolarHBondContact O-N 2.82Å; L27-F50 HydrophobicContact CD1-CB 4.13Å; L27-F50 HydrophobicContact CD1-CD1 3.65Å; L27-F50 HydrophobicContact CD1-CD2 4.12Å; L27-F50 HydrophobicContact CD1-CE1 4.09Å; L27-F50 HydrophobicContact CD1-CG 3.68Å; L27-F50 HydrophobicContact CD2-CD1 3.72Å; L27-F50 HydrophobicContact CD2-CE1 3.28Å; L27-F50 HydrophobicContact CD2-CE2 4.29Å; L27-F50 HydrophobicContact CD2-CG 4.41Å; L27-F50 HydrophobicContact CD2-CZ 3.62Å; L27-F50 HydrophobicContact CG-CD1 3.5Å; L27-F50 VanDerWaalsContact CG-CD1 3.5Å; L27-F50 HydrophobicContact CG-CE1 3.64Å; L27-F50 HydrophobicContact CG-CG 4.09Å; L27-F50 HydrophobicContact CG-CZ 4.32Å; L27-A53 HydrophobicContact CD1-CB 3.58Å; L27-I71 HydrophobicContact CB-CD1 3.96Å; L27-I71 HydrophobicContact CD1-CD1 3.77Å; L27-I71 HydrophobicContact CD1-CG1 4.21Å; L27-I71 HydrophobicContact CG-CD1 4.47Å; L27-G110 WeakPolarHBondContact O-CA 3.38Å; L27-G110 PolarHBondContact O-N 2.81Å
28	K	87	Confident	79.8	Confident	90 Å²	90	52.9 Å²	52.9	39%	0.391	29%	0.287	S	S	.	.			trans	-124	116.1	178	-56	175.3	-176.6	172.2	0	110.3	G26 F50 K51 N52	G26-K28 PolarHBondContact O-N 3.41Å; K28-F50 CarbonylContact O-C 3.58Å; K28-F50 VanDerWaalsContact O-CA 3.31Å; K28-F50 WeakPolarHBondContact O-CA 3.49Å; K28-F50 WeakPolarHBondContact O-CB 3.35Å; K28-K51 HydrophobicContact CB-CD 4.27Å; K28-K51 VanDerWaalsContact CB-CE 3.48Å; K28-K51 HydrophobicContact CB-CG 3.87Å; K28-K51 PolarHBondContact O-N 2.84Å; K28-N52 WeakPolarHBondContact CA-OD1 3.38Å; K28-N52 WeakPolarHBondContact CB-OD1 3.49Å; K28-N52 PolarHBondContact N-OD1 2.92Å; K28-N52 PolarHBondContact O-OD1 3.08Å
29	P	84.7	Confident	78.1	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.032	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-55	150.8	168.7	-25.5	34.8	0	0	0	111.8	L49 F50 A101 H103	P29-L49 CarbonylContact C-O 3.57Å; P29-L49 WeakPolarHBondContact CA-O 3.47Å; P29-F50 HydrophobicContact CG-CD1 4.39Å; P29-F50 HydrophobicContact CG-CE1 4.39Å; P29-A101 HydrophobicContact CB-CB 3.87Å; P29-A101 HydrophobicContact CG-CB 4.12Å; P29-H103 VanDerWaalsContact CB-NE2 3.34Å; P29-H103 WeakPolarHBondContact CB-NE2 3.17Å; P29-H103 WeakPolarHBondContact CD-NE2 3.31Å; P29-H103 VanDerWaalsContact CG-CD2 3.42Å; P29-H103 WeakPolarHBondContact CG-CD2 3.25Å; P29-H103 WeakPolarHBondContact CG-NE2 3.37Å
30	R	82.5	Confident	76	Confident	150 Å²	150	60.7 Å²	60.7	57%	0.566	32%	0.319	S	S	*	.	S	Bend	trans	-74.9	-39.5	-178.4	-175.9	173.4	-120.1	168.6	-1.8	112.1	L49 K51	R30-L49 PolarHBondContact N-O 2.87Å; R30-K51 HydrophobicContact CB-CB 4.46Å
31	N	74.1	Confident	73.9	Confident	81 Å²	81	69.9 Å²	69.9	43%	0.433	36%	0.359	S	S	.	.	S	Bend	trans	-112.4	148.5	-179.7	-63.2	-15.1	0	0	0	109.6	L33	N31-L33 PolarHBondContact O-N 2.89Å
32	A	64.4	Low	72.1	Confident	95 Å²	95	76.5 Å²	76.5	79%	0.785	39%	0.39	S	S	*	.	S	Bend	trans	-67.8	-27.5	173.7	0	0	0	0	0	112.4
33	L	60.8	Low	70.4	Confident	146 Å²	146	82.1 Å²	82.1	76%	0.764	42%	0.416	S	S	*	.	S	Bend	trans	-86.6	137.2	173.4	-66	174	0	0	0	110.5	N31 K35	N31-L33 PolarHBondContact O-N 2.89Å; L33-K35 PolarHBondContact O-N 3.03Å
34	D	61.1	Low	69.2	Low	86 Å²	86	79.3 Å²	79.3	46%	0.46	41%	0.407	S	S	.	.			trans	-46.3	108.7	170.2	-80	-14.5	0	0	0	111.1	K100	D34-K100 VanDerWaalsContact CG-NZ 3.31Å; D34-K100 IonicContact OD1-NZ 2.94Å; D34-K100 WeakPolarHBondContact OD2-CE 3.36Å; D34-K100 IonicContact OD2-NZ 3.76Å; D34-K100 PolarHBondContact OD2-NZ 2.87Å
35	K	62.7	Low	68.6	Low	85 Å²	85	83.6 Å²	83.6	37%	0.37	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.3	174.6	-171.2	174.7	-179.4	-178.6	0	108.8	L33 L49 K100 A101	L33-K35 PolarHBondContact O-N 3.03Å; K35-L49 HydrophobicContact CB-CD2 4.02Å; K35-L49 HydrophobicContact CD-CD2 4.24Å; K35-L49 HydrophobicContact CG-CD2 4.04Å; K35-L49 WeakPolarHBondContact O-CD2 3.09Å; K35-K100 WeakPolarHBondContact O-CA 3.31Å; K35-A101 PolarHBondContact O-N 2.99Å
36	M	61.2	Low	68.4	Low	114 Å²	114	81 Å²	81	56%	0.562	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.9	173.3	-172	174.4	63.1	0	0	109.3	K98 L99	M36-K98 HydrophobicContact CE-CD 4.12Å; M36-K98 HydrophobicContact CG-CB 4.13Å; M36-K98 HydrophobicContact CG-CD 4.19Å; M36-K98 HydrophobicContact SD-CB 4.31Å; M36-K98 HydrophobicContact SD-CD 3.45Å; M36-K98 WeakPolarHBondContact SD-CD 3.44Å; M36-K98 HydrophobicContact SD-CG 4.48Å; M36-L99 CarbonylContact C-O 3.6Å; M36-L99 VanDerWaalsContact CA-O 3.31Å; M36-L99 WeakPolarHBondContact CA-O 3.44Å
37	I	64	Low	68.3	Low	35 Å²	35	82 Å²	82	18%	0.179	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.7	171.9	-55.7	171.2	0	0	0	107.4	P44 R48 L49 L99	I37-P44 HydrophobicContact CB-CB 4.15Å; I37-P44 HydrophobicContact CG2-CB 3.39Å; I37-P44 HydrophobicContact CG2-CG 4.28Å; I37-R48 HydrophobicContact CD1-CB 4.2Å; I37-L49 HydrophobicContact CD1-CD1 4.44Å; I37-L49 HydrophobicContact CD1-CD2 3.49Å; I37-L49 VanDerWaalsContact CD1-CD2 3.49Å; I37-L49 HydrophobicContact CD1-CG 3.74Å; I37-L49 HydrophobicContact CG1-CD2 3.77Å; I37-L49 HydrophobicContact CG1-CG 4.45Å; I37-L99 PolarHBondContact N-O 3.23Å; I37-L99 PolarHBondContact O-N 2.8Å
38	G	58.5	Low	68.1	Low	39 Å²	39	88.9 Å²	88.9	40%	0.402	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	151.4	170.3	0	0	0	0	0	111.3	F40	G38-F40 PolarHBondContact O-N 3.38Å
39	F	60.2	Low	68	Low	15 Å²	15	84.7 Å²	84.7	7%	0.066	42%	0.419	C	S	.	.			trans	-78.7	35.8	179.8	-72.4	-116.7	0	0	0	112.7	K41 P44 W58 L60 V94 S97 L99	F39-K41 VanDerWaalsContact C-N 3.31Å; F39-K41 PolarHBondContact O-N 2.93Å; F39-P44 HydrophobicContact CB-CG 4.45Å; F39-P44 HydrophobicContact CD1-CG 3.63Å; F39-P44 HydrophobicContact CD2-CG 3.45Å; F39-P44 VanDerWaalsContact CD2-CG 3.45Å; F39-P44 HydrophobicContact CE1-CG 3.59Å; F39-P44 HydrophobicContact CE2-CG 3.48Å; F39-P44 VanDerWaalsContact CE2-CG 3.48Å; F39-P44 HydrophobicContact CG-CG 3.55Å; F39-P44 HydrophobicContact CZ-CG 3.51Å; F39-W58 HydrophobicContact CZ-CZ2 4.2Å; F39-L60 HydrophobicContact CE1-CD2 3.92Å; F39-L60 HydrophobicContact CE2-CD2 4.28Å; F39-L60 HydrophobicContact CZ-CD2 3.58Å; F39-V94 HydrophobicContact CD1-CG1 4.27Å; F39-V94 HydrophobicContact CE1-CG1 4.49Å; F39-S97 WeakPolarHBondContact CD2-O 3.34Å; F39-L99 HydrophobicContact CE2-CD1 4.24Å; F39-L99 HydrophobicContact CE2-CD2 4.03Å; F39-L99 HydrophobicContact CE2-CG 3.62Å; F39-L99 HydrophobicContact CZ-CD1 4.05Å; F39-L99 HydrophobicContact CZ-CD2 4.09Å; F39-L99 HydrophobicContact CZ-CG 3.85Å
40	F	49.6	Very low	68.2	Low	184 Å²	184	84.6 Å²	84.6	81%	0.807	42%	0.418	S	S	*	.	S	Bend	trans	-73.4	-14.8	-163.5	-151.2	-95.7	0	0	0	114.5	G38	G38-F40 PolarHBondContact O-N 3.38Å
41	K	51.2	Low	68.4	Low	196 Å²	196	84 Å²	84	85%	0.852	42%	0.42	S	S	*	.	S	Bend	trans	-152.6	-38.5	-178.7	-68.3	-167.9	177.4	-176.8	0	115.7	F39	F39-K41 VanDerWaalsContact C-N 3.31Å; F39-K41 PolarHBondContact O-N 2.93Å
42	E	55.7	Low	69.2	Low	139 Å²	139	81.1 Å²	81.1	65%	0.65	40%	0.404	S	S	*	.	S	Bend	trans	-125.2	147.3	177.2	-70	177.3	168.7	0	0	107.8	P44	E42-P44 WeakPolarHBondContact O-CD 3.42Å
43	E	58.3	Low	70.5	Confident	118 Å²	118	77.3 Å²	77.3	55%	0.551	37%	0.373	S	S	*	.			trans	-56.8	112.4	168	-75.6	-173	173.8	0	0	108.1	L45	E43-L45 PolarHBondContact O-N 2.83Å
44	P	65.6	Low	72	Confident	10 Å²	10	73.2 Å²	73.2	7%	0.065	36%	0.356	C	S	.	.			trans	-69.1	107.9	-178	29.5	-30.5	0	0	0	108.2	I37 F39 E42 P46 L99	I37-P44 HydrophobicContact CB-CB 4.15Å; I37-P44 HydrophobicContact CG2-CB 3.39Å; I37-P44 HydrophobicContact CG2-CG 4.28Å; F39-P44 HydrophobicContact CB-CG 4.45Å; F39-P44 HydrophobicContact CD1-CG 3.63Å; F39-P44 HydrophobicContact CD2-CG 3.45Å; F39-P44 VanDerWaalsContact CD2-CG 3.45Å; F39-P44 HydrophobicContact CE1-CG 3.59Å; F39-P44 HydrophobicContact CE2-CG 3.48Å; F39-P44 VanDerWaalsContact CE2-CG 3.48Å; F39-P44 HydrophobicContact CG-CG 3.55Å; F39-P44 HydrophobicContact CZ-CG 3.51Å; E42-P44 WeakPolarHBondContact O-CD 3.42Å; P44-P46 WeakPolarHBondContact O-CD 3.05Å; P44-L99 HydrophobicContact CB-CD1 4.29Å; P44-L99 HydrophobicContact CG-CD1 3.93Å; P44-L99 HydrophobicContact CG-CG 4.32Å; P44-L99 WeakPolarHBondContact O-CD1 3.49Å
45	L	76.2	Confident	73.5	Confident	90 Å²	90	69.7 Å²	69.7	47%	0.471	34%	0.337	S	S	.	.			trans	-63.9	122.5	168	-70.5	173.2	0	0	0	108.9	E43 D47 R48 W58	E43-L45 PolarHBondContact O-N 2.83Å; L45-D47 PolarHBondContact O-N 3.47Å; L45-D47 VanDerWaalsContact O-N 3.07Å; L45-R48 PolarHBondContact O-N 2.78Å; L45-W58 HydrophobicContact CD2-CB 4.32Å
46	P	84.2	Confident	74.9	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-62.5	-16.5	-179.7	-12.7	22	0	0	0	113	P44 R48 L49 F50 F55 W58 L99 L112	P44-P46 WeakPolarHBondContact O-CD 3.05Å; P46-R48 PolarHBondContact O-N 2.7Å; P46-L49 WeakPolarHBondContact O-CB 3.41Å; P46-L49 PolarHBondContact O-N 3.03Å; P46-F50 HydrophobicContact CB-CE2 4.18Å; P46-F50 VanDerWaalsContact O-CD2 3.25Å; P46-F50 WeakPolarHBondContact O-CD2 3.37Å; P46-F55 HydrophobicContact CB-CD1 4.29Å; P46-F55 HydrophobicContact CB-CD2 3.89Å; P46-F55 HydrophobicContact CB-CE1 4.01Å; P46-F55 HydrophobicContact CB-CE2 3.62Å; P46-F55 HydrophobicContact CB-CG 4.24Å; P46-F55 HydrophobicContact CB-CZ 3.68Å; P46-F55 HydrophobicContact CG-CD1 3.88Å; P46-F55 HydrophobicContact CG-CD2 4.23Å; P46-F55 HydrophobicContact CG-CE1 3.89Å; P46-F55 HydrophobicContact CG-CE2 4.28Å; P46-F55 HydrophobicContact CG-CG 4.06Å; P46-F55 HydrophobicContact CG-CZ 4.1Å; P46-W58 HydrophobicContact CG-CD2 3.47Å; P46-W58 VanDerWaalsContact CG-CD2 3.47Å; P46-W58 HydrophobicContact CG-CE3 3.27Å; P46-W58 HydrophobicContact CG-CG 4.16Å; P46-W58 HydrophobicContact CG-CH2 3.89Å; P46-W58 HydrophobicContact CG-CZ2 4.1Å; P46-W58 HydrophobicContact CG-CZ3 3.49Å; P46-W58 VanDerWaalsContact CG-CZ3 3.49Å; P46-L99 HydrophobicContact CB-CD1 4.32Å; P46-L99 HydrophobicContact CG-CD1 3.94Å; P46-L112 HydrophobicContact CB-CD1 4.24Å
47	D	84.6	Confident	76.3	Confident	42 Å²	42	66.5 Å²	66.5	23%	0.225	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-45.6	-38.2	173.9	-70.2	41	0	0	0	112.7	L45 L49 F50 S54 F55	L45-D47 PolarHBondContact O-N 3.47Å; L45-D47 VanDerWaalsContact O-N 3.07Å; D47-L49 PolarHBondContact O-N 3.08Å; D47-F50 PolarHBondContact O-N 2.79Å; D47-F50 VanDerWaalsContact O-O 3.06Å; D47-S54 WeakPolarHBondContact OD2-CA 3.46Å; D47-S54 PolarHBondContact OD2-OG 2.94Å; D47-F55 WeakPolarHBondContact OD1-CB 3.39Å; D47-F55 WeakPolarHBondContact OD1-CD2 3.23Å; D47-F55 PolarHBondContact OD1-N 2.88Å; D47-F55 PolarHBondContact OD2-N 2.79Å
48	R	82.5	Confident	77.7	Confident	146 Å²	146	65.8 Å²	65.8	55%	0.551	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-69.4	-14.6	-177.9	-65.3	-175.5	177.8	171.9	3.1	113.8	I37 L45 P46	I37-R48 HydrophobicContact CD1-CB 4.2Å; L45-R48 PolarHBondContact O-N 2.78Å; P46-R48 PolarHBondContact O-N 2.7Å
49	L	86.4	Confident	79.3	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.01	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-88.3	-21.7	-179	-67.8	177	0	0	0	113	P29 R30 K35 I37 P46 D47 L99 A101 L112	P29-L49 CarbonylContact C-O 3.57Å; P29-L49 WeakPolarHBondContact CA-O 3.47Å; R30-L49 PolarHBondContact N-O 2.87Å; K35-L49 HydrophobicContact CB-CD2 4.02Å; K35-L49 HydrophobicContact CD-CD2 4.24Å; K35-L49 HydrophobicContact CG-CD2 4.04Å; K35-L49 WeakPolarHBondContact O-CD2 3.09Å; I37-L49 HydrophobicContact CD1-CD1 4.44Å; I37-L49 HydrophobicContact CD1-CD2 3.49Å; I37-L49 VanDerWaalsContact CD1-CD2 3.49Å; I37-L49 HydrophobicContact CD1-CG 3.74Å; I37-L49 HydrophobicContact CG1-CD2 3.77Å; I37-L49 HydrophobicContact CG1-CG 4.45Å; P46-L49 WeakPolarHBondContact O-CB 3.41Å; P46-L49 PolarHBondContact O-N 3.03Å; D47-L49 PolarHBondContact O-N 3.08Å; L49-L99 HydrophobicContact CD1-CB 3.83Å; L49-A101 HydrophobicContact CB-CB 3.86Å; L49-A101 HydrophobicContact CD2-CB 4.31Å; L49-A101 HydrophobicContact CG-CB 4.48Å; L49-L112 HydrophobicContact CD1-CD1 4.18Å
50	F	88.4	Confident	80.8	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.018	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-124.4	146.9	-169.7	-54	-72.2	0	0	0	111.3	L27 K28 P29 P46 D47 A53 F55 A101 L112	L27-F50 HydrophobicContact CD1-CB 4.13Å; L27-F50 HydrophobicContact CD1-CD1 3.65Å; L27-F50 HydrophobicContact CD1-CD2 4.12Å; L27-F50 HydrophobicContact CD1-CE1 4.09Å; L27-F50 HydrophobicContact CD1-CG 3.68Å; L27-F50 HydrophobicContact CD2-CD1 3.72Å; L27-F50 HydrophobicContact CD2-CE1 3.28Å; L27-F50 HydrophobicContact CD2-CE2 4.29Å; L27-F50 HydrophobicContact CD2-CG 4.41Å; L27-F50 HydrophobicContact CD2-CZ 3.62Å; L27-F50 HydrophobicContact CG-CD1 3.5Å; L27-F50 VanDerWaalsContact CG-CD1 3.5Å; L27-F50 HydrophobicContact CG-CE1 3.64Å; L27-F50 HydrophobicContact CG-CG 4.09Å; L27-F50 HydrophobicContact CG-CZ 4.32Å; K28-F50 CarbonylContact O-C 3.58Å; K28-F50 VanDerWaalsContact O-CA 3.31Å; K28-F50 WeakPolarHBondContact O-CA 3.49Å; K28-F50 WeakPolarHBondContact O-CB 3.35Å; P29-F50 HydrophobicContact CG-CD1 4.39Å; P29-F50 HydrophobicContact CG-CE1 4.39Å; P46-F50 HydrophobicContact CB-CE2 4.18Å; P46-F50 VanDerWaalsContact O-CD2 3.25Å; P46-F50 WeakPolarHBondContact O-CD2 3.37Å; D47-F50 PolarHBondContact O-N 2.79Å; D47-F50 VanDerWaalsContact O-O 3.06Å; F50-A53 HydrophobicContact CB-CB 3.75Å; F50-A53 HydrophobicContact CD2-CB 4.36Å; F50-A53 HydrophobicContact CG-CB 4.26Å; F50-F55 AromaticContact CD2-CE2 3.98Å; F50-F55 HydrophobicContact CD2-CE2 3.98Å; F50-F55 HydrophobicContact CD2-CZ 4.48Å; F50-F55 HydrophobicContact CE2-CE2 4.19Å; F50-F55 HydrophobicContact CE2-CZ 4.26Å; F50-A101 HydrophobicContact CD1-CB 4.38Å; F50-A101 HydrophobicContact CE1-CB 3.76Å; F50-A101 HydrophobicContact CZ-CB 4.12Å; F50-L112 HydrophobicContact CE2-CB 4.41Å; F50-L112 HydrophobicContact CE2-CD1 4.08Å; F50-L112 HydrophobicContact CZ-CB 3.95Å; F50-L112 HydrophobicContact CZ-CD1 4.05Å
51	K	87.6	Confident	82.9	Confident	138 Å²	138	59.9 Å²	59.9	60%	0.6	30%	0.298	S	S	*	.	S	Bend	trans	-88.3	-16.6	179.9	63.9	-178	178	-170.6	0	114	K28 R30	K28-K51 HydrophobicContact CB-CD 4.27Å; K28-K51 VanDerWaalsContact CB-CE 3.48Å; K28-K51 HydrophobicContact CB-CG 3.87Å; K28-K51 PolarHBondContact O-N 2.84Å; R30-K51 HydrophobicContact CB-CB 4.46Å
52	N	90.7	Very high	84.9	Confident	19 Å²	19	52.2 Å²	52.2	10%	0.102	27%	0.269	C	S	.	.	S	Bend	trans	-135.3	20	-171.2	73.1	-37.4	0	0	0	113.4	G26 K28 I71 R72	G26-N52 PolarHBondContact O-ND2 3.41Å; K28-N52 WeakPolarHBondContact CA-OD1 3.38Å; K28-N52 WeakPolarHBondContact CB-OD1 3.49Å; K28-N52 PolarHBondContact N-OD1 2.92Å; K28-N52 PolarHBondContact O-OD1 3.08Å; N52-I71 CarbonylContact O-C 3.53Å; N52-I71 WeakPolarHBondContact O-CA 3.34Å; N52-R72 HydrophobicContact CB-CB 4.48Å; N52-R72 WeakPolarHBondContact CB-O 3.44Å; N52-R72 PolarHBondContact ND2-O 3.39Å; N52-R72 PolarHBondContact O-N 3.45Å
53	A	91.3	Very high	86.8	Confident	15 Å²	15	47.6 Å²	47.6	12%	0.124	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.8	177.5	0	0	0	0	0	110.3	L27 F50 F55 V69 T70 I71	L27-A53 HydrophobicContact CD1-CB 3.58Å; F50-A53 HydrophobicContact CB-CB 3.75Å; F50-A53 HydrophobicContact CD2-CB 4.36Å; F50-A53 HydrophobicContact CG-CB 4.26Å; A53-F55 HydrophobicContact CB-CE2 4.1Å; A53-V69 HydrophobicContact CB-CG2 3.87Å; A53-T70 CarbonylContact C-O 3.6Å; A53-T70 WeakPolarHBondContact CA-O 3.4Å; A53-I71 HydrophobicContact CB-CG1 4.3Å
54	S	92	Very high	88.5	Confident	60 Å²	60	43.3 Å²	43.3	42%	0.42	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	128.6	168	-176.4	0	0	0	0	109.3	D47 V69 T70	D47-S54 WeakPolarHBondContact OD2-CA 3.46Å; D47-S54 PolarHBondContact OD2-OG 2.94Å; S54-V69 WeakPolarHBondContact O-CA 3.31Å; S54-T70 PolarHBondContact N-O 3.48Å; S54-T70 PolarHBondContact O-N 3.22Å
55	F	91.5	Very high	89.9	Confident	13 Å²	13	43 Å²	43	6%	0.057	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	106.7	178.7	-68.1	-112.6	0	0	0	108.3	P46 D47 F50 A53 W58 L67 E68 V69 L112	P46-F55 HydrophobicContact CB-CD1 4.29Å; P46-F55 HydrophobicContact CB-CD2 3.89Å; P46-F55 HydrophobicContact CB-CE1 4.01Å; P46-F55 HydrophobicContact CB-CE2 3.62Å; P46-F55 HydrophobicContact CB-CG 4.24Å; P46-F55 HydrophobicContact CB-CZ 3.68Å; P46-F55 HydrophobicContact CG-CD1 3.88Å; P46-F55 HydrophobicContact CG-CD2 4.23Å; P46-F55 HydrophobicContact CG-CE1 3.89Å; P46-F55 HydrophobicContact CG-CE2 4.28Å; P46-F55 HydrophobicContact CG-CG 4.06Å; P46-F55 HydrophobicContact CG-CZ 4.1Å; D47-F55 WeakPolarHBondContact OD1-CB 3.39Å; D47-F55 WeakPolarHBondContact OD1-CD2 3.23Å; D47-F55 PolarHBondContact OD1-N 2.88Å; D47-F55 PolarHBondContact OD2-N 2.79Å; F50-F55 AromaticContact CD2-CE2 3.98Å; F50-F55 HydrophobicContact CD2-CE2 3.98Å; F50-F55 HydrophobicContact CD2-CZ 4.48Å; F50-F55 HydrophobicContact CE2-CE2 4.19Å; F50-F55 HydrophobicContact CE2-CZ 4.26Å; A53-F55 HydrophobicContact CB-CE2 4.1Å; F55-W58 AromaticContact CD1-CE3 3.98Å; F55-W58 HydrophobicContact CD1-CE3 3.98Å; F55-W58 HydrophobicContact CE1-CE3 4.19Å; F55-W58 HydrophobicContact CE1-CZ3 4.29Å; F55-L67 HydrophobicContact CD1-CB 4.45Å; F55-E68 CarbonylContact C-O 3.58Å; F55-E68 VanDerWaalsContact CA-O 3.22Å; F55-E68 WeakPolarHBondContact CA-O 3.46Å; F55-V69 HydrophobicContact CD1-CB 3.88Å; F55-V69 HydrophobicContact CD1-CG2 4.26Å; F55-V69 HydrophobicContact CD2-CB 4.29Å; F55-V69 HydrophobicContact CD2-CG2 3.79Å; F55-V69 HydrophobicContact CE1-CB 3.81Å; F55-V69 HydrophobicContact CE1-CG1 4.39Å; F55-V69 HydrophobicContact CE1-CG2 4.07Å; F55-V69 HydrophobicContact CE2-CB 4.2Å; F55-V69 HydrophobicContact CE2-CG2 3.54Å; F55-V69 HydrophobicContact CG-CB 4.14Å; F55-V69 HydrophobicContact CG-CG2 4.14Å; F55-V69 HydrophobicContact CZ-CB 3.96Å; F55-V69 HydrophobicContact CZ-CG2 3.7Å; F55-L112 HydrophobicContact CE1-CD2 4.14Å; F55-L112 HydrophobicContact CZ-CD2 4.18Å
56	S	92.2	Very high	90.8	Very high	76 Å²	76	41 Å²	41	53%	0.531	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-23.2	172.5	45.2	0	0	0	0	111.6	E68	S56-E68 PolarHBondContact N-O 2.89Å; S56-E68 VanDerWaalsContact N-O 3.1Å; S56-E68 WeakPolarHBondContact OG-CB 3.5Å; S56-E68 VanDerWaalsContact OG-CD 3.3Å; S56-E68 WeakPolarHBondContact OG-CG 3.35Å; S56-E68 PolarHBondContact OG-OE1 3Å
57	L	92.2	Very high	91.2	Very high	56 Å²	56	41 Å²	41	29%	0.293	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131.2	176.4	-178.4	61.8	0	0	0	109.9	Q66 L67 E68	L57-Q66 VanDerWaalsContact CD2-CD 3.47Å; L57-Q66 HydrophobicContact CD2-CG 3.6Å; L57-Q66 VanDerWaalsContact CD2-NE2 3.29Å; L57-Q66 HydrophobicContact CG-CG 4.34Å; L57-L67 CarbonylContact O-C 3.6Å; L57-L67 VanDerWaalsContact O-CA 3.25Å; L57-L67 WeakPolarHBondContact O-CA 3.23Å; L57-E68 HydrophobicContact CB-CB 3.69Å; L57-E68 PolarHBondContact N-O 2.87Å; L57-E68 PolarHBondContact O-N 2.91Å
58	W	92	Very high	91.6	Very high	19 Å²	19	42 Å²	42	7%	0.072	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	116.1	171.4	178.3	-97.5	0	0	0	108.3	F39 L45 P46 F55 L60 L65 L67 L99 L112 L114	F39-W58 HydrophobicContact CZ-CZ2 4.2Å; L45-W58 HydrophobicContact CD2-CB 4.32Å; P46-W58 HydrophobicContact CG-CD2 3.47Å; P46-W58 VanDerWaalsContact CG-CD2 3.47Å; P46-W58 HydrophobicContact CG-CE3 3.27Å; P46-W58 HydrophobicContact CG-CG 4.16Å; P46-W58 HydrophobicContact CG-CH2 3.89Å; P46-W58 HydrophobicContact CG-CZ2 4.1Å; P46-W58 HydrophobicContact CG-CZ3 3.49Å; P46-W58 VanDerWaalsContact CG-CZ3 3.49Å; F55-W58 AromaticContact CD1-CE3 3.98Å; F55-W58 HydrophobicContact CD1-CE3 3.98Å; F55-W58 HydrophobicContact CE1-CE3 4.19Å; F55-W58 HydrophobicContact CE1-CZ3 4.29Å; W58-L60 HydrophobicContact CZ2-CB 4.49Å; W58-L65 HydrophobicContact CH2-CD1 4.18Å; W58-L65 HydrophobicContact CZ3-CD1 4.21Å; W58-L67 HydrophobicContact CE3-CB 3.91Å; W58-L67 HydrophobicContact CE3-CD2 4.44Å; W58-L67 HydrophobicContact CZ3-CB 4.22Å; W58-L67 HydrophobicContact CZ3-CD2 3.89Å; W58-L99 HydrophobicContact CH2-CD1 4Å; W58-L99 HydrophobicContact CH2-CD2 3.67Å; W58-L99 HydrophobicContact CH2-CG 4.49Å; W58-L99 HydrophobicContact CZ2-CD1 3.55Å; W58-L99 HydrophobicContact CZ2-CD2 3.61Å; W58-L99 HydrophobicContact CZ2-CG 4.15Å; W58-L112 HydrophobicContact CH2-CD2 3.95Å; W58-L112 HydrophobicContact CZ3-CD2 3.67Å; W58-L114 HydrophobicContact CH2-CD2 3.86Å; W58-L114 HydrophobicContact CH2-CG 4.44Å; W58-L114 HydrophobicContact CZ2-CD2 4.37Å
59	N	92.3	Very high	92.1	Very high	71 Å²	71	35.1 Å²	35.1	38%	0.38	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	108.7	178	-176.3	-2.9	0	0	0	109	L65 Q66	N59-L65 CarbonylContact O-C 3.48Å; N59-L65 WeakPolarHBondContact O-CA 3.49Å; N59-Q66 HydrophobicContact CB-CB 4.39Å; N59-Q66 PolarHBondContact N-O 2.87Å; N59-Q66 PolarHBondContact O-N 3.12Å
60	L	92.8	Very high	92.4	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113	174.4	178.4	67	0	0	0	108.2	F39 W58 L65 F88 I92 V94 L114 L116	F39-L60 HydrophobicContact CE1-CD2 3.92Å; F39-L60 HydrophobicContact CE2-CD2 4.28Å; F39-L60 HydrophobicContact CZ-CD2 3.58Å; W58-L60 HydrophobicContact CZ2-CB 4.49Å; L60-L65 HydrophobicContact CB-CD1 4.34Å; L60-L65 HydrophobicContact CD1-CB 4.24Å; L60-L65 HydrophobicContact CD1-CD1 4.1Å; L60-F88 HydrophobicContact CD1-CE2 4.14Å; L60-F88 HydrophobicContact CD1-CZ 3.85Å; L60-I92 HydrophobicContact CD1-CD1 3.81Å; L60-I92 HydrophobicContact CD2-CD1 4.44Å; L60-I92 HydrophobicContact CG-CD1 4.23Å; L60-V94 HydrophobicContact CD2-CG1 4.25Å; L60-V94 HydrophobicContact CG-CG1 4.29Å; L60-L114 HydrophobicContact CD1-CD2 4.39Å; L60-L116 HydrophobicContact CD1-CD2 4.36Å; L60-L116 HydrophobicContact CD2-CD2 4.24Å
61	S	93.4	Very high	92.6	Very high	36 Å²	36	36.1 Å²	36.1	25%	0.252	21%	0.205	S	C	.	.			trans	-106.4	176.2	174.1	85.8	0	0	0	0	110.6	C63 S64 V94	S61-C63 PolarHBondContact O-N 2.96Å; S61-C63 VanDerWaalsContact O-N 3.17Å; S61-C63 PolarHBondContact OG-N 3.15Å; S61-C63 VanDerWaalsContact OG-N 3.14Å; S61-S64 PolarHBondContact N-O 3.23Å; S61-S64 PolarHBondContact OG-N 2.8Å; S61-S64 PolarHBondContact OG-OG 2.94Å; S61-V94 WeakPolarHBondContact O-CG2 3.38Å
62	S	93.7	Very high	92.7	Very high	35 Å²	35	37.8 Å²	37.8	25%	0.245	21%	0.208	C	C	.	.	S	Bend	trans	-61.7	-20.5	174.2	55.1	0	0	0	0	113.2	E91 I92	S62-E91 CarbonylContact O-C 3.51Å; S62-E91 VanDerWaalsContact O-CA 3.27Å; S62-E91 WeakPolarHBondContact O-CA 3.15Å; S62-I92 WeakPolarHBondContact CB-O 3.33Å; S62-I92 WeakPolarHBondContact O-CG1 3.25Å; S62-I92 PolarHBondContact O-N 2.88Å
63	C	94.7	Very high	92.1	Very high	42 Å²	42	38.6 Å²	38.6	28%	0.284	21%	0.214	S	C	.	.	S	Bend	trans	-125.6	-7.8	-171.7	-55.8	0	0	0	0	113.4	S61 K87 F88	S61-C63 PolarHBondContact O-N 2.96Å; S61-C63 VanDerWaalsContact O-N 3.17Å; S61-C63 PolarHBondContact OG-N 3.15Å; S61-C63 VanDerWaalsContact OG-N 3.14Å; C63-K87 CarbonylContact O-C 3.42Å; C63-K87 VanDerWaalsContact O-CA 3.27Å; C63-K87 WeakPolarHBondContact O-CA 3.36Å; C63-F88 PolarHBondContact O-N 3.07Å
64	S	95	Very high	91.4	Very high	29 Å²	29	41.3 Å²	41.3	20%	0.203	23%	0.23	C	C	.	.			trans	-149.9	158	-171.1	69.9	0	0	0	0	112.2	S61 I85	S61-S64 PolarHBondContact N-O 3.23Å; S61-S64 PolarHBondContact OG-N 2.8Å; S61-S64 PolarHBondContact OG-OG 2.94Å; S64-I85 VanDerWaalsContact CA-O 3.31Å; S64-I85 WeakPolarHBondContact CA-O 3.46Å; S64-I85 VanDerWaalsContact CB-O 3.28Å; S64-I85 WeakPolarHBondContact CB-O 3.38Å
65	L	94.8	Very high	90.5	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	126.6	168.9	170.9	62.7	0	0	0	108.8	I22 W58 N59 L60 L67 Y83 L84 I85 F88 L114	I22-L65 HydrophobicContact CD1-CD2 3.89Å; W58-L65 HydrophobicContact CH2-CD1 4.18Å; W58-L65 HydrophobicContact CZ3-CD1 4.21Å; N59-L65 CarbonylContact O-C 3.48Å; N59-L65 WeakPolarHBondContact O-CA 3.49Å; L60-L65 HydrophobicContact CB-CD1 4.34Å; L60-L65 HydrophobicContact CD1-CB 4.24Å; L60-L65 HydrophobicContact CD1-CD1 4.1Å; L65-L67 HydrophobicContact CD1-CD2 4.33Å; L65-L67 HydrophobicContact CD2-CD2 4.15Å; L65-L67 HydrophobicContact CG-CD2 4.31Å; L65-Y83 HydrophobicContact CD2-CD1 4.46Å; L65-Y83 HydrophobicContact CD2-CE1 4.48Å; L65-L84 CarbonylContact O-C 3.44Å; L65-L84 WeakPolarHBondContact O-CA 3.45Å; L65-I85 HydrophobicContact CB-CB 4.36Å; L65-I85 HydrophobicContact CB-CD1 4.39Å; L65-I85 HydrophobicContact CD2-CD1 4.39Å; L65-I85 PolarHBondContact N-O 3.34Å; L65-I85 PolarHBondContact O-N 3.19Å; L65-F88 HydrophobicContact CB-CE1 4.05Å; L65-F88 HydrophobicContact CB-CZ 3.75Å; L65-L114 HydrophobicContact CD1-CD2 4.33Å; L65-L114 HydrophobicContact CD2-CD1 4.37Å; L65-L114 HydrophobicContact CD2-CD2 3.84Å
66	Q	94.2	Very high	89.8	Confident	50 Å²	50	51.6 Å²	51.6	23%	0.234	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.2	168.7	-169.6	179.1	3.9	0	0	109.4	L57 N59 L84	L57-Q66 VanDerWaalsContact CD2-CD 3.47Å; L57-Q66 HydrophobicContact CD2-CG 3.6Å; L57-Q66 VanDerWaalsContact CD2-NE2 3.29Å; L57-Q66 HydrophobicContact CG-CG 4.34Å; N59-Q66 HydrophobicContact CB-CB 4.39Å; N59-Q66 PolarHBondContact N-O 2.87Å; N59-Q66 PolarHBondContact O-N 3.12Å; Q66-L84 HydrophobicContact CB-CD1 3.99Å; Q66-L84 HydrophobicContact CG-CD1 4.12Å
67	L	93.5	Very high	89.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.1	174.9	65.2	86.5	0	0	0	111.6	I22 F24 F55 L57 W58 L65 V69 R82 Y83	I22-L67 HydrophobicContact CD1-CD2 3.9Å; F24-L67 HydrophobicContact CE1-CD1 3.73Å; F24-L67 HydrophobicContact CZ-CD1 3.54Å; F24-L67 HydrophobicContact CZ-CD2 4.17Å; F55-L67 HydrophobicContact CD1-CB 4.45Å; L57-L67 CarbonylContact O-C 3.6Å; L57-L67 VanDerWaalsContact O-CA 3.25Å; L57-L67 WeakPolarHBondContact O-CA 3.23Å; W58-L67 HydrophobicContact CE3-CB 3.91Å; W58-L67 HydrophobicContact CE3-CD2 4.44Å; W58-L67 HydrophobicContact CZ3-CB 4.22Å; W58-L67 HydrophobicContact CZ3-CD2 3.89Å; L65-L67 HydrophobicContact CD1-CD2 4.33Å; L65-L67 HydrophobicContact CD2-CD2 4.15Å; L65-L67 HydrophobicContact CG-CD2 4.31Å; L67-V69 HydrophobicContact CD1-CG1 4.34Å; L67-R82 WeakPolarHBondContact O-CA 3.22Å; L67-Y83 HydrophobicContact CD2-CD1 4.38Å; L67-Y83 PolarHBondContact N-O 2.8Å; L67-Y83 PolarHBondContact O-N 2.79Å
68	E	93.4	Very high	89.2	Confident	63 Å²	63	51.5 Å²	51.5	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	128.4	167.6	-170.9	-178.3	106.7	0	0	107.9	F55 S56 L57 Y81	F55-E68 CarbonylContact C-O 3.58Å; F55-E68 VanDerWaalsContact CA-O 3.22Å; F55-E68 WeakPolarHBondContact CA-O 3.46Å; S56-E68 PolarHBondContact N-O 2.89Å; S56-E68 VanDerWaalsContact N-O 3.1Å; S56-E68 WeakPolarHBondContact OG-CB 3.5Å; S56-E68 VanDerWaalsContact OG-CD 3.3Å; S56-E68 WeakPolarHBondContact OG-CG 3.35Å; S56-E68 PolarHBondContact OG-OE1 3Å; L57-E68 HydrophobicContact CB-CB 3.69Å; L57-E68 PolarHBondContact N-O 2.87Å; L57-E68 PolarHBondContact O-N 2.91Å; E68-Y81 WeakPolarHBondContact CA-O 3.1Å
69	V	92.7	Very high	89.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135	-177.1	61.1	0	0	0	0	110.9	F24 A53 S54 F55 L67 I71 R80 Y81	F24-V69 HydrophobicContact CD1-CG1 3.56Å; F24-V69 HydrophobicContact CE1-CG1 3.41Å; F24-V69 VanDerWaalsContact CE1-CG1 3.41Å; F24-V69 HydrophobicContact CG-CG1 4.2Å; F24-V69 HydrophobicContact CZ-CG1 3.92Å; A53-V69 HydrophobicContact CB-CG2 3.87Å; S54-V69 WeakPolarHBondContact O-CA 3.31Å; F55-V69 HydrophobicContact CD1-CB 3.88Å; F55-V69 HydrophobicContact CD1-CG2 4.26Å; F55-V69 HydrophobicContact CD2-CB 4.29Å; F55-V69 HydrophobicContact CD2-CG2 3.79Å; F55-V69 HydrophobicContact CE1-CB 3.81Å; F55-V69 HydrophobicContact CE1-CG1 4.39Å; F55-V69 HydrophobicContact CE1-CG2 4.07Å; F55-V69 HydrophobicContact CE2-CB 4.2Å; F55-V69 HydrophobicContact CE2-CG2 3.54Å; F55-V69 HydrophobicContact CG-CB 4.14Å; F55-V69 HydrophobicContact CG-CG2 4.14Å; F55-V69 HydrophobicContact CZ-CB 3.96Å; F55-V69 HydrophobicContact CZ-CG2 3.7Å; L67-V69 HydrophobicContact CD1-CG1 4.34Å; V69-I71 HydrophobicContact CG2-CG1 4Å; V69-R80 WeakPolarHBondContact O-CA 3.32Å; V69-Y81 HydrophobicContact CG1-CD2 4.27Å; V69-Y81 HydrophobicContact CG1-CG 4.41Å; V69-Y81 PolarHBondContact N-O 2.83Å; V69-Y81 PolarHBondContact O-N 2.63Å
70	T	93	Very high	89	Confident	27 Å²	27	54.8 Å²	54.8	17%	0.166	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.6	168.4	-60.1	0	0	0	0	109.2	A53 S54 D78 L79 R80	A53-T70 CarbonylContact C-O 3.6Å; A53-T70 WeakPolarHBondContact CA-O 3.4Å; S54-T70 PolarHBondContact N-O 3.48Å; S54-T70 PolarHBondContact O-N 3.22Å; T70-D78 HydrophobicContact CG2-CB 3.9Å; T70-L79 CarbonylContact C-O 3.58Å; T70-L79 WeakPolarHBondContact CA-O 3.48Å; T70-R80 HydrophobicContact CG2-CG 4.26Å
71	I	91.3	Very high	89	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119.3	179.7	-60.6	-179.1	0	0	0	109.6	F24 G26 L27 N52 A53 V69 S73 D78 L79 Y81	F24-I71 HydrophobicContact CB-CD1 3.22Å; F24-I71 HydrophobicContact CG-CD1 4.08Å; G26-I71 WeakPolarHBondContact O-CG2 3.4Å; L27-I71 HydrophobicContact CB-CD1 3.96Å; L27-I71 HydrophobicContact CD1-CD1 3.77Å; L27-I71 HydrophobicContact CD1-CG1 4.21Å; L27-I71 HydrophobicContact CG-CD1 4.47Å; N52-I71 CarbonylContact O-C 3.53Å; N52-I71 WeakPolarHBondContact O-CA 3.34Å; A53-I71 HydrophobicContact CB-CG1 4.3Å; V69-I71 HydrophobicContact CG2-CG1 4Å; I71-S73 PolarHBondContact O-N 2.97Å; I71-D78 WeakPolarHBondContact O-CA 3.22Å; I71-L79 HydrophobicContact CB-CB 4.48Å; I71-L79 PolarHBondContact N-O 3.32Å; I71-L79 PolarHBondContact O-N 3.26Å; I71-Y81 HydrophobicContact CD1-CD2 4.08Å; I71-Y81 HydrophobicContact CD1-CE2 3.83Å; I71-Y81 HydrophobicContact CG1-CD2 4.44Å; I71-Y81 HydrophobicContact CG1-CE2 4.37Å
72	R	89.4	Confident	89	Confident	174 Å²	174	59 Å²	59	66%	0.657	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	96.7	173.3	-56.4	-166	177.7	154.8	2.4	109.1	N52 D78	N52-R72 HydrophobicContact CB-CB 4.48Å; N52-R72 WeakPolarHBondContact CB-O 3.44Å; N52-R72 PolarHBondContact ND2-O 3.39Å; N52-R72 PolarHBondContact O-N 3.45Å; R72-D78 WeakPolarHBondContact CG-OD1 3.37Å
73	S	78.3	Confident	88.9	Confident	35 Å²	35	58.9 Å²	58.9	25%	0.245	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-41.6	-175.2	68.4	0	0	0	0	112	I71 V77	I71-S73 PolarHBondContact O-N 2.97Å; S73-V77 PolarHBondContact N-O 3.33Å; S73-V77 PolarHBondContact OG-O 3.22Å
74	T	76.1	Confident	88.9	Confident	73 Å²	73	60.5 Å²	60.5	45%	0.448	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	164.9	179.2	63.7	0	0	0	0	108.9	N76 V77	T74-N76 PolarHBondContact O-N 2.83Å; T74-V77 PolarHBondContact O-N 3.44Å; T74-V77 WeakPolarHBondContact OG1-CB 3.42Å; T74-V77 PolarHBondContact OG1-N 2.87Å
75	P	73.6	Confident	88.8	Confident	132 Å²	132	59.2 Å²	59.2	86%	0.857	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.1	-177	-27.2	35.2	0	0	0	115.2
76	N	76.4	Confident	88.8	Confident	156 Å²	156	61.3 Å²	61.3	83%	0.834	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	0.9	-173.1	-62.7	-21.2	0	0	0	113.7	T74	T74-N76 PolarHBondContact O-N 2.83Å
77	V	83	Confident	88.9	Confident	72 Å²	72	65 Å²	65	44%	0.436	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	109.5	-176	-173.4	0	0	0	0	111.5	S73 T74 L79	S73-V77 PolarHBondContact N-O 3.33Å; S73-V77 PolarHBondContact OG-O 3.22Å; T74-V77 PolarHBondContact O-N 3.44Å; T74-V77 WeakPolarHBondContact OG1-CB 3.42Å; T74-V77 PolarHBondContact OG1-N 2.87Å; V77-L79 HydrophobicContact CG1-CD2 4.22Å
78	D	88.8	Confident	89	Confident	58 Å²	58	65.2 Å²	65.2	31%	0.31	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.6	169.2	-76.8	-0.2	0	0	0	109.7	M1 T70 I71 R72	M1-D78 HydrophobicContact CE-CB 4.09Å; T70-D78 HydrophobicContact CG2-CB 3.9Å; I71-D78 WeakPolarHBondContact O-CA 3.22Å; R72-D78 WeakPolarHBondContact CG-OD1 3.37Å
79	L	89.7	Confident	89	Confident	44 Å²	44	63.6 Å²	63.6	23%	0.23	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125	173.2	-61.1	176.5	0	0	0	108.8	T70 I71 V77 Y81	T70-L79 CarbonylContact C-O 3.58Å; T70-L79 WeakPolarHBondContact CA-O 3.48Å; I71-L79 HydrophobicContact CB-CB 4.48Å; I71-L79 PolarHBondContact N-O 3.32Å; I71-L79 PolarHBondContact O-N 3.26Å; V77-L79 HydrophobicContact CG1-CD2 4.22Å; L79-Y81 HydrophobicContact CB-CD2 4.41Å; L79-Y81 HydrophobicContact CB-CE2 3.57Å; L79-Y81 HydrophobicContact CD1-CE2 4.48Å
80	R	91.7	Very high	89.1	Confident	115 Å²	115	64.1 Å²	64.1	43%	0.434	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.4	176.9	-65.6	-172.4	-179.6	175.4	2.6	110	V4 V69 T70	V4-R80 PolarHBondContact N-O 3.49Å; V4-R80 VanDerWaalsContact N-O 3.08Å; V69-R80 WeakPolarHBondContact O-CA 3.32Å; T70-R80 HydrophobicContact CG2-CG 4.26Å
81	Y	92.8	Very high	89.1	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.016	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.8	176.3	-59.8	-101.7	0	0	0	108.8	V4 P6 F24 S25 E68 V69 I71 L79	V4-Y81 HydrophobicContact CB-CD1 3.84Å; V4-Y81 HydrophobicContact CB-CE1 3.54Å; V4-Y81 HydrophobicContact CG1-CD1 4.17Å; V4-Y81 HydrophobicContact CG1-CE1 3.54Å; V4-Y81 WeakPolarHBondContact O-CA 3.39Å; V4-Y81 WeakPolarHBondContact O-CD1 3.48Å; P6-Y81 HydrophobicContact CB-CD1 4.32Å; F24-Y81 HydrophobicContact CB-CD2 4.31Å; F24-Y81 HydrophobicContact CB-CE2 4.2Å; F24-Y81 AromaticContact CD1-CD1 3.82Å; F24-Y81 HydrophobicContact CD1-CD1 3.82Å; F24-Y81 AromaticContact CD1-CD2 3.94Å; F24-Y81 HydrophobicContact CD1-CD2 3.94Å; F24-Y81 HydrophobicContact CD1-CE1 4.49Å; F24-Y81 AromaticContact CD1-CG 3.53Å; F24-Y81 HydrophobicContact CD1-CG 3.53Å; F24-Y81 HydrophobicContact CE1-CG 4.25Å; S25-Y81 WeakPolarHBondContact CA-OH 3.32Å; S25-Y81 WeakPolarHBondContact CB-OH 3.2Å; S25-Y81 PolarHBondContact N-OH 2.8Å; S25-Y81 PolarHBondContact O-OH 3.18Å; E68-Y81 WeakPolarHBondContact CA-O 3.1Å; V69-Y81 HydrophobicContact CG1-CD2 4.27Å; V69-Y81 HydrophobicContact CG1-CG 4.41Å; V69-Y81 PolarHBondContact N-O 2.83Å; V69-Y81 PolarHBondContact O-N 2.63Å; I71-Y81 HydrophobicContact CD1-CD2 4.08Å; I71-Y81 HydrophobicContact CD1-CE2 3.83Å; I71-Y81 HydrophobicContact CG1-CD2 4.44Å; I71-Y81 HydrophobicContact CG1-CE2 4.37Å; L79-Y81 HydrophobicContact CB-CD2 4.41Å; L79-Y81 HydrophobicContact CB-CE2 3.57Å; L79-Y81 HydrophobicContact CD1-CE2 4.48Å
82	R	92.6	Very high	89.3	Confident	129 Å²	129	66.5 Å²	66.5	49%	0.487	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.4	166.9	-176.1	173.3	175.1	172.8	0.1	107.5	T3 L67	T3-R82 HydrophobicContact CG2-CB 3.85Å; L67-R82 WeakPolarHBondContact O-CA 3.22Å
83	Y	92.8	Very high	89.4	Confident	32 Å²	32	60 Å²	60	13%	0.125	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	137.7	177.5	-174.4	-112.5	0	0	0	110.3	P6 V8 I22 L65 L67 I85	P6-Y83 HydrophobicContact CG-CD2 3.75Å; P6-Y83 HydrophobicContact CG-CG 3.81Å; V8-Y83 HydrophobicContact CG2-CD2 4.49Å; V8-Y83 HydrophobicContact CG2-CE1 4.11Å; V8-Y83 HydrophobicContact CG2-CE2 3.76Å; I22-Y83 HydrophobicContact CD1-CD1 3.87Å; I22-Y83 HydrophobicContact CD1-CE1 3.98Å; L65-Y83 HydrophobicContact CD2-CD1 4.46Å; L65-Y83 HydrophobicContact CD2-CE1 4.48Å; L67-Y83 HydrophobicContact CD2-CD1 4.38Å; L67-Y83 PolarHBondContact N-O 2.8Å; L67-Y83 PolarHBondContact O-N 2.79Å; Y83-I85 HydrophobicContact CE1-CD1 3.73Å; Y83-I85 HydrophobicContact CE1-CG1 3.66Å; Y83-I85 WeakPolarHBondContact OH-CG1 3.43Å
84	L	94	Very high	90	Very high	76 Å²	76	59.5 Å²	59.5	40%	0.398	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	128.4	-176.2	175	65.1	0	0	0	109	L65 Q66 A86	L65-L84 CarbonylContact O-C 3.44Å; L65-L84 WeakPolarHBondContact O-CA 3.45Å; Q66-L84 HydrophobicContact CB-CD1 3.99Å; Q66-L84 HydrophobicContact CG-CD1 4.12Å; L84-A86 HydrophobicContact CG-CB 4.5Å
85	I	93.8	Very high	90.6	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	107.5	157.6	-60.5	167.1	0	0	0	105.3	S64 L65 Y83 F88 L135	S64-I85 VanDerWaalsContact CA-O 3.31Å; S64-I85 WeakPolarHBondContact CA-O 3.46Å; S64-I85 VanDerWaalsContact CB-O 3.28Å; S64-I85 WeakPolarHBondContact CB-O 3.38Å; L65-I85 HydrophobicContact CB-CB 4.36Å; L65-I85 HydrophobicContact CB-CD1 4.39Å; L65-I85 HydrophobicContact CD2-CD1 4.39Å; L65-I85 PolarHBondContact N-O 3.34Å; L65-I85 PolarHBondContact O-N 3.19Å; Y83-I85 HydrophobicContact CE1-CD1 3.73Å; Y83-I85 HydrophobicContact CE1-CG1 3.66Å; Y83-I85 WeakPolarHBondContact OH-CG1 3.43Å; I85-F88 HydrophobicContact CB-CD1 4.2Å; I85-F88 HydrophobicContact CB-CE1 4.03Å; I85-F88 HydrophobicContact CD1-CD1 4.1Å; I85-F88 HydrophobicContact CD1-CE1 3.61Å; I85-F88 HydrophobicContact CG1-CE1 4.42Å; I85-F88 HydrophobicContact CG2-CD1 3.5Å; I85-F88 HydrophobicContact CG2-CE1 3.86Å; I85-F88 HydrophobicContact CG2-CG 4.35Å; I85-L135 HydrophobicContact CD1-CB 3.89Å; I85-L135 HydrophobicContact CD1-CD1 4.16Å; I85-L135 HydrophobicContact CG1-CB 4.28Å; I85-L135 VanDerWaalsContact CG2-O 3.31Å; I85-L135 WeakPolarHBondContact CG2-O 3.39Å
86	A	94.4	Very high	91.4	Very high	46 Å²	46	63.4 Å²	63.4	38%	0.38	31%	0.306	S	S	.	.	S	Bend	trans	-72.1	-37.2	-178.2	0	0	0	0	0	111	L84 D136	L84-A86 HydrophobicContact CG-CB 4.5Å; A86-D136 WeakPolarHBondContact CB-OD1 3.02Å; A86-D136 PolarHBondContact N-OD1 2.74Å
87	K	95	Very high	92	Very high	128 Å²	128	56 Å²	56	56%	0.557	27%	0.266	S	S	*	.	S	Bend	trans	-140.9	123.2	173.9	-169.3	177.2	175.9	-171.2	0	111.2	C63 D136 A137	C63-K87 CarbonylContact O-C 3.42Å; C63-K87 VanDerWaalsContact O-CA 3.27Å; C63-K87 WeakPolarHBondContact O-CA 3.36Å; K87-D136 PolarHBondContact N-OD1 3.14Å; K87-A137 HydrophobicContact CG-CB 4.45Å; K87-A137 WeakPolarHBondContact O-CB 3.28Å; K87-A137 PolarHBondContact O-N 2.82Å
88	F	95.3	Very high	92.4	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.018	26%	0.259	C	S	.	.			trans	-67.1	154.1	171.7	-70.2	-46.5	0	0	0	111.5	L60 C63 L65 I85 C90 I92 L116 W125	L60-F88 HydrophobicContact CD1-CE2 4.14Å; L60-F88 HydrophobicContact CD1-CZ 3.85Å; C63-F88 PolarHBondContact O-N 3.07Å; L65-F88 HydrophobicContact CB-CE1 4.05Å; L65-F88 HydrophobicContact CB-CZ 3.75Å; I85-F88 HydrophobicContact CB-CD1 4.2Å; I85-F88 HydrophobicContact CB-CE1 4.03Å; I85-F88 HydrophobicContact CD1-CD1 4.1Å; I85-F88 HydrophobicContact CD1-CE1 3.61Å; I85-F88 HydrophobicContact CG1-CE1 4.42Å; I85-F88 HydrophobicContact CG2-CD1 3.5Å; I85-F88 HydrophobicContact CG2-CE1 3.86Å; I85-F88 HydrophobicContact CG2-CG 4.35Å; F88-C90 WeakPolarHBondContact CB-O 3.44Å; F88-C90 PolarHBondContact O-N 2.88Å; F88-I92 HydrophobicContact CD2-CD1 4.32Å; F88-I92 HydrophobicContact CD2-CG1 4.06Å; F88-I92 HydrophobicContact CD2-CG2 4.18Å; F88-I92 HydrophobicContact CE2-CD1 3.62Å; F88-I92 HydrophobicContact CE2-CG1 3.83Å; F88-I92 HydrophobicContact CE2-CG2 4.47Å; F88-I92 HydrophobicContact CZ-CD1 4.25Å; F88-L116 HydrophobicContact CE1-CD1 4.32Å; F88-L116 HydrophobicContact CZ-CD1 4.23Å; F88-W125 HydrophobicContact CB-CH2 3.75Å; F88-W125 HydrophobicContact CB-CZ2 3.77Å; F88-W125 AromaticContact CD1-CH2 3.31Å; F88-W125 HydrophobicContact CD1-CH2 3.31Å; F88-W125 HydrophobicContact CD1-CZ2 4.22Å; F88-W125 AromaticContact CD1-CZ3 3.8Å; F88-W125 HydrophobicContact CD1-CZ3 3.8Å; F88-W125 HydrophobicContact CD2-CH2 4.2Å; F88-W125 AromaticContact CE1-CH2 3.89Å; F88-W125 HydrophobicContact CE1-CH2 3.89Å; F88-W125 HydrophobicContact CE1-CZ3 4.19Å; F88-W125 AromaticContact CG-CH2 3.52Å; F88-W125 HydrophobicContact CG-CH2 3.52Å; F88-W125 HydrophobicContact CG-CZ2 4.04Å; F88-W125 HydrophobicContact CG-CZ3 4.43Å
89	P	94	Very high	92.4	Very high	29 Å²	29	53 Å²	53	19%	0.188	24%	0.244	C	C	.	.	S	Bend	trans	-57.7	-29.5	173.3	-25.3	35.2	0	0	0	113.9	C123 W125 H128 L135	P89-C123 VanDerWaalsContact C-SG 3.54Å; P89-C123 PolarHBondContact O-SG 3.16Å; P89-W125 HydrophobicContact CB-CD2 4.36Å; P89-W125 HydrophobicContact CB-CG 4.22Å; P89-W125 HydrophobicContact CG-CD2 3.92Å; P89-W125 HydrophobicContact CG-CE3 4.41Å; P89-W125 HydrophobicContact CG-CG 4.03Å; P89-H128 HydrophobicContact CB-CB 4.45Å; P89-H128 HydrophobicContact CG-CB 4.26Å; P89-L135 WeakPolarHBondContact CD-O 3.36Å
90	C	94.1	Very high	92.4	Very high	10 Å²	10	53.1 Å²	53.1	7%	0.068	24%	0.243	C	C	.	.	S	Bend	trans	-147.4	164.8	166.2	69.9	0	0	0	0	110.6	F88 C123 W125	F88-C90 WeakPolarHBondContact CB-O 3.44Å; F88-C90 PolarHBondContact O-N 2.88Å; C90-C123 HydrophobicContact CB-CB 3.56Å; C90-C123 VanDerWaalsContact CB-SG 3.59Å; C90-W125 PolarHBondContact SG-NE1 2.72Å
91	E	94.6	Very high	92.1	Very high	78 Å²	78	47.8 Å²	47.8	36%	0.364	22%	0.224	S	C	.	.			trans	-63.5	149.8	173.3	-60.3	-164	172.3	0	0	112.4	S62 R119	S62-E91 CarbonylContact O-C 3.51Å; S62-E91 VanDerWaalsContact O-CA 3.27Å; S62-E91 WeakPolarHBondContact O-CA 3.15Å; E91-R119 HydrophobicContact CB-CB 4.15Å; E91-R119 HydrophobicContact CB-CG 4.27Å; E91-R119 PolarHBondContact O-N 2.91Å; E91-R119 WeakPolarHBondContact OE2-CD 3.31Å; E91-R119 IonicContact OE2-CZ 3.72Å; E91-R119 IonicContact OE2-NE 3.24Å; E91-R119 IonicContact OE2-NH1 2.8Å; E91-R119 PolarHBondContact OE2-NH1 3.04Å
92	I	93.9	Very high	91.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	154.9	176	67.1	158.5	0	0	0	111.8	L60 S62 F88 V94 L116 Y117 R119 W125	L60-I92 HydrophobicContact CD1-CD1 3.81Å; L60-I92 HydrophobicContact CD2-CD1 4.44Å; L60-I92 HydrophobicContact CG-CD1 4.23Å; S62-I92 WeakPolarHBondContact CB-O 3.33Å; S62-I92 WeakPolarHBondContact O-CG1 3.25Å; S62-I92 PolarHBondContact O-N 2.88Å; F88-I92 HydrophobicContact CD2-CD1 4.32Å; F88-I92 HydrophobicContact CD2-CG1 4.06Å; F88-I92 HydrophobicContact CD2-CG2 4.18Å; F88-I92 HydrophobicContact CE2-CD1 3.62Å; F88-I92 HydrophobicContact CE2-CG1 3.83Å; F88-I92 HydrophobicContact CE2-CG2 4.47Å; F88-I92 HydrophobicContact CZ-CD1 4.25Å; I92-V94 HydrophobicContact CD1-CG2 4.28Å; I92-V94 HydrophobicContact CG1-CG2 4.33Å; I92-L116 HydrophobicContact CB-CB 4.47Å; I92-L116 HydrophobicContact CD1-CB 4.35Å; I92-L116 HydrophobicContact CD1-CD1 4.3Å; I92-L116 HydrophobicContact CD1-CD2 3.73Å; I92-L116 HydrophobicContact CD1-CG 4.34Å; I92-L116 HydrophobicContact CG2-CB 4Å; I92-L116 HydrophobicContact CG2-CD1 4.45Å; I92-Y117 CarbonylContact C-O 3.54Å; I92-Y117 WeakPolarHBondContact CA-O 3.45Å; I92-Y117 WeakPolarHBondContact CB-O 3.49Å; I92-R119 PolarHBondContact O-NE 2.98Å; I92-W125 HydrophobicContact CG2-CH2 3.96Å; I92-W125 HydrophobicContact CG2-CZ2 3.81Å
93	D	93.1	Very high	91	Very high	38 Å²	38	46.7 Å²	46.7	20%	0.203	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	101.3	165.3	-174.5	-19	0	0	0	109.7	H95 R96 S97 Y117	D93-H95 VanDerWaalsContact C-N 3.31Å; D93-H95 PolarHBondContact O-N 2.79Å; D93-H95 PolarHBondContact OD1-N 2.84Å; D93-R96 HydrophobicContact CB-CB 4.29Å; D93-R96 HydrophobicContact CB-CG 4.46Å; D93-R96 PolarHBondContact O-N 2.89Å; D93-R96 PolarHBondContact OD1-N 3.25Å; D93-R96 WeakPolarHBondContact OD2-CD 3.34Å; D93-R96 VanDerWaalsContact OD2-CG 3.28Å; D93-R96 WeakPolarHBondContact OD2-CG 3.31Å; D93-S97 PolarHBondContact O-N 2.84Å; D93-S97 VanDerWaalsContact O-N 3.16Å; D93-S97 PolarHBondContact O-OG 2.58Å; D93-Y117 PolarHBondContact N-O 2.63Å
94	V	90.9	Very high	89.9	Confident	24 Å²	24	46.6 Å²	46.6	15%	0.145	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-37.4	180	-177.6	0	0	0	0	111.7	F39 L60 S61 I92 R96 S97	F39-V94 HydrophobicContact CD1-CG1 4.27Å; F39-V94 HydrophobicContact CE1-CG1 4.49Å; L60-V94 HydrophobicContact CD2-CG1 4.25Å; L60-V94 HydrophobicContact CG-CG1 4.29Å; S61-V94 WeakPolarHBondContact O-CG2 3.38Å; I92-V94 HydrophobicContact CD1-CG2 4.28Å; I92-V94 HydrophobicContact CG1-CG2 4.33Å; V94-R96 VanDerWaalsContact C-N 3.28Å; V94-R96 PolarHBondContact O-N 2.83Å; V94-S97 WeakPolarHBondContact O-CB 3.34Å; V94-S97 PolarHBondContact O-N 3.34Å; V94-S97 VanDerWaalsContact O-N 3.14Å
95	H	88.3	Confident	88.4	Confident	151 Å²	151	49.5 Å²	49.5	70%	0.699	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	-29.6	-176.5	-63.3	-62.2	0	0	0	112.7	D93	D93-H95 VanDerWaalsContact C-N 3.31Å; D93-H95 PolarHBondContact O-N 2.79Å; D93-H95 PolarHBondContact OD1-N 2.84Å
96	R	89.9	Confident	87.1	Confident	136 Å²	136	60.1 Å²	60.1	51%	0.513	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-17.1	175.4	-66.3	179.7	67.8	-169.6	2.5	113.1	D93 V94 Y117	D93-R96 HydrophobicContact CB-CB 4.29Å; D93-R96 HydrophobicContact CB-CG 4.46Å; D93-R96 PolarHBondContact O-N 2.89Å; D93-R96 PolarHBondContact OD1-N 3.25Å; D93-R96 WeakPolarHBondContact OD2-CD 3.34Å; D93-R96 VanDerWaalsContact OD2-CG 3.28Å; D93-R96 WeakPolarHBondContact OD2-CG 3.31Å; V94-R96 VanDerWaalsContact C-N 3.28Å; V94-R96 PolarHBondContact O-N 2.83Å; R96-Y117 HydrophobicContact CB-CD1 4.37Å; R96-Y117 HydrophobicContact CB-CD2 3.58Å; R96-Y117 HydrophobicContact CB-CE2 4.12Å; R96-Y117 HydrophobicContact CB-CG 3.72Å; R96-Y117 VanDerWaalsContact CZ-CD1 3.43Å; R96-Y117 VanDerWaalsContact NH2-CE1 3.28Å; R96-Y117 WeakPolarHBondContact O-CD2 3.5Å; R96-Y117 WeakPolarHBondContact O-CE2 3.27Å
97	S	90.4	Very high	85.4	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	156.1	-178.6	-63.9	0	0	0	0	111.2	F39 D93 V94 S115	F39-S97 WeakPolarHBondContact CD2-O 3.34Å; D93-S97 PolarHBondContact O-N 2.84Å; D93-S97 VanDerWaalsContact O-N 3.16Å; D93-S97 PolarHBondContact O-OG 2.58Å; V94-S97 WeakPolarHBondContact O-CB 3.34Å; V94-S97 PolarHBondContact O-N 3.34Å; V94-S97 VanDerWaalsContact O-N 3.14Å; S97-S115 CarbonylContact C-O 3.54Å; S97-S115 WeakPolarHBondContact CA-O 3.01Å
98	K	89.9	Confident	84	Confident	64 Å²	64	60.9 Å²	60.9	28%	0.278	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	146.7	-177.8	-51.9	-178.8	-171.9	167	0	110.6	M36 L114 S115	M36-K98 HydrophobicContact CE-CD 4.12Å; M36-K98 HydrophobicContact CG-CB 4.13Å; M36-K98 HydrophobicContact CG-CD 4.19Å; M36-K98 HydrophobicContact SD-CB 4.31Å; M36-K98 HydrophobicContact SD-CD 3.45Å; M36-K98 WeakPolarHBondContact SD-CD 3.44Å; M36-K98 HydrophobicContact SD-CG 4.48Å; K98-L114 WeakPolarHBondContact O-CA 3.33Å; K98-S115 PolarHBondContact N-O 3.47Å; K98-S115 PolarHBondContact O-N 2.76Å
99	L	89.9	Confident	82.7	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141.2	170.4	-58.1	-178.9	0	0	0	110.2	M36 I37 F39 P44 P46 L49 W58 L112 I113 L114	M36-L99 CarbonylContact C-O 3.6Å; M36-L99 VanDerWaalsContact CA-O 3.31Å; M36-L99 WeakPolarHBondContact CA-O 3.44Å; I37-L99 PolarHBondContact N-O 3.23Å; I37-L99 PolarHBondContact O-N 2.8Å; F39-L99 HydrophobicContact CE2-CD1 4.24Å; F39-L99 HydrophobicContact CE2-CD2 4.03Å; F39-L99 HydrophobicContact CE2-CG 3.62Å; F39-L99 HydrophobicContact CZ-CD1 4.05Å; F39-L99 HydrophobicContact CZ-CD2 4.09Å; F39-L99 HydrophobicContact CZ-CG 3.85Å; P44-L99 HydrophobicContact CB-CD1 4.29Å; P44-L99 HydrophobicContact CG-CD1 3.93Å; P44-L99 HydrophobicContact CG-CG 4.32Å; P44-L99 WeakPolarHBondContact O-CD1 3.49Å; P46-L99 HydrophobicContact CB-CD1 4.32Å; P46-L99 HydrophobicContact CG-CD1 3.94Å; L49-L99 HydrophobicContact CD1-CB 3.83Å; W58-L99 HydrophobicContact CH2-CD1 4Å; W58-L99 HydrophobicContact CH2-CD2 3.67Å; W58-L99 HydrophobicContact CH2-CG 4.49Å; W58-L99 HydrophobicContact CZ2-CD1 3.55Å; W58-L99 HydrophobicContact CZ2-CD2 3.61Å; W58-L99 HydrophobicContact CZ2-CG 4.15Å; L99-L112 HydrophobicContact CB-CD1 4.41Å; L99-L112 HydrophobicContact CD2-CD1 4.32Å; L99-I113 CarbonylContact C-O 3.59Å; L99-I113 WeakPolarHBondContact CA-O 3.33Å; L99-L114 HydrophobicContact CD2-CB 4.42Å; L99-L114 HydrophobicContact CD2-CD2 4.01Å; L99-L114 HydrophobicContact CD2-CG 3.76Å
100	K	88.5	Confident	82.1	Confident	47 Å²	47	61.8 Å²	61.8	20%	0.204	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140.2	175	176.5	-173	-176.9	-159.9	0	110.1	D34 K35 I113	D34-K100 VanDerWaalsContact CG-NZ 3.31Å; D34-K100 IonicContact OD1-NZ 2.94Å; D34-K100 WeakPolarHBondContact OD2-CE 3.36Å; D34-K100 IonicContact OD2-NZ 3.76Å; D34-K100 PolarHBondContact OD2-NZ 2.87Å; K35-K100 WeakPolarHBondContact O-CA 3.31Å; K100-I113 HydrophobicContact CB-CB 4.15Å; K100-I113 HydrophobicContact CD-CD1 4.28Å; K100-I113 PolarHBondContact N-O 3.05Å; K100-I113 PolarHBondContact O-N 2.96Å
101	A	87	Confident	81.8	Confident	4 Å²	4	63 Å²	63	3%	0.033	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.9	163.6	0	0	0	0	0	108.1	P29 K35 L49 F50 F111	P29-A101 HydrophobicContact CB-CB 3.87Å; P29-A101 HydrophobicContact CG-CB 4.12Å; K35-A101 PolarHBondContact O-N 2.99Å; L49-A101 HydrophobicContact CB-CB 3.86Å; L49-A101 HydrophobicContact CD2-CB 4.31Å; L49-A101 HydrophobicContact CG-CB 4.48Å; F50-A101 HydrophobicContact CD1-CB 4.38Å; F50-A101 HydrophobicContact CE1-CB 3.76Å; F50-A101 HydrophobicContact CZ-CB 4.12Å; A101-F111 WeakPolarHBondContact CA-O 3.38Å
102	Q	85.3	Confident	81.7	Confident	65 Å²	65	59.3 Å²	59.3	30%	0.304	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.7	173.9	-176.3	165.1	-8.8	0	0	111.3	G110 F111 I113	Q102-G110 CarbonylContact O-C 3.55Å; Q102-G110 WeakPolarHBondContact O-CA 3.44Å; Q102-F111 PolarHBondContact N-O 3.1Å; Q102-F111 VanDerWaalsContact N-O 3.15Å; Q102-F111 PolarHBondContact O-N 3.41Å; Q102-I113 HydrophobicContact CB-CD1 3.51Å; Q102-I113 HydrophobicContact CB-CG1 4.49Å; Q102-I113 HydrophobicContact CG-CD1 4.27Å
103	H	75.7	Confident	81.6	Confident	45 Å²	45	59.6 Å²	59.6	21%	0.208	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	144	171.3	-83.6	-94.2	0	0	0	111.3	P29 D107	P29-H103 VanDerWaalsContact CB-NE2 3.34Å; P29-H103 WeakPolarHBondContact CB-NE2 3.17Å; P29-H103 WeakPolarHBondContact CD-NE2 3.31Å; P29-H103 VanDerWaalsContact CG-CD2 3.42Å; P29-H103 WeakPolarHBondContact CG-CD2 3.25Å; P29-H103 WeakPolarHBondContact CG-NE2 3.37Å; H103-D107 IonicContact ND1-OD1 2.72Å
104	T	70.4	Confident	81.6	Confident	29 Å²	29	57.8 Å²	57.8	18%	0.178	28%	0.28	C	S	.	.			trans	-64.5	147.6	155.4	54.1	0	0	0	0	109.8	R106 D107 H109 F111	T104-R106 PolarHBondContact O-N 2.68Å; T104-D107 PolarHBondContact O-N 3.25Å; T104-H109 HydrophobicContact CG2-CB 4.07Å; T104-H109 PolarHBondContact N-O 3.43Å; T104-H109 PolarHBondContact OG1-N 3.29Å; T104-H109 PolarHBondContact OG1-O 2.91Å; T104-F111 HydrophobicContact CG2-CD2 4.43Å; T104-F111 HydrophobicContact CG2-CE2 3.47Å; T104-F111 VanDerWaalsContact CG2-CE2 3.47Å; T104-F111 HydrophobicContact CG2-CZ 4.17Å
105	P	62.6	Low	81.7	Confident	137 Å²	137	57.6 Å²	57.6	89%	0.89	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-20.1	174.3	-26.5	33.8	0	0	0	115.3
106	R	66.4	Low	82	Confident	226 Å²	226	50.6 Å²	50.6	85%	0.853	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	16.6	177	-62	-171	179.8	-160.5	0.6	113.7	T104 S108	T104-R106 PolarHBondContact O-N 2.68Å; R106-S108 PolarHBondContact O-N 3.37Å; R106-S108 PolarHBondContact O-OG 3.36Å
107	D	58.8	Low	82.3	Confident	123 Å²	123	46.1 Å²	46.1	66%	0.658	23%	0.23	S	C	*	.	S	Bend	trans	52.7	4.3	173.4	-75.4	-30.2	0	0	0	118.6	H103 T104	H103-D107 IonicContact ND1-OD1 2.72Å; T104-D107 PolarHBondContact O-N 3.25Å
108	S	64.2	Low	82.5	Confident	66 Å²	66	46.9 Å²	46.9	46%	0.462	23%	0.233	S	C	.	.	S	Bend	trans	-84.6	-23.9	-173.6	43	0	0	0	0	113.2	R106	R106-S108 PolarHBondContact O-N 3.37Å; R106-S108 PolarHBondContact O-OG 3.36Å
109	H	69.6	Low	82.6	Confident	53 Å²	53	50.4 Å²	50.4	25%	0.245	25%	0.245	C	C	.	.			trans	-139.3	130.9	-171.8	-53.8	-59.4	0	0	0	112.5	R23 T104	R23-H109 PolarHBondContact NH2-CD2 2.9Å; R23-H109 PolarHBondContact NH2-CE1 3.22Å; R23-H109 VanDerWaalsContact NH2-CG 3.34Å; R23-H109 PolarHBondContact NH2-ND1 3.29Å; R23-H109 PolarHBondContact NH2-NE2 2.89Å; T104-H109 HydrophobicContact CG2-CB 4.07Å; T104-H109 PolarHBondContact N-O 3.43Å; T104-H109 PolarHBondContact OG1-N 3.29Å; T104-H109 PolarHBondContact OG1-O 2.91Å
110	G	80.4	Confident	82.5	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	146.6	166.7	0	0	0	0	0	112.1	L27 Q102	L27-G110 WeakPolarHBondContact O-CA 3.38Å; L27-G110 PolarHBondContact O-N 2.81Å; Q102-G110 CarbonylContact O-C 3.55Å; Q102-G110 WeakPolarHBondContact O-CA 3.44Å
111	F	87.8	Confident	82.3	Confident	36 Å²	36	58.5 Å²	58.5	16%	0.158	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.9	166.8	-62.9	-94.9	0	0	0	110	F9 A21 R23 A101 Q102 T104 I113	F9-F111 HydrophobicContact CD2-CE1 4.13Å; F9-F111 HydrophobicContact CE2-CE1 4.11Å; A21-F111 HydrophobicContact CB-CB 4.46Å; A21-F111 HydrophobicContact CB-CD1 3.95Å; A21-F111 HydrophobicContact CB-CG 4.48Å; R23-F111 HydrophobicContact CB-CD1 3.67Å; R23-F111 HydrophobicContact CB-CE1 3.55Å; R23-F111 HydrophobicContact CG-CD1 4.13Å; R23-F111 HydrophobicContact CG-CE1 3.81Å; R23-F111 HydrophobicContact CG-CZ 4.32Å; A101-F111 WeakPolarHBondContact CA-O 3.38Å; Q102-F111 PolarHBondContact N-O 3.1Å; Q102-F111 VanDerWaalsContact N-O 3.15Å; Q102-F111 PolarHBondContact O-N 3.41Å; T104-F111 HydrophobicContact CG2-CD2 4.43Å; T104-F111 HydrophobicContact CG2-CE2 3.47Å; T104-F111 VanDerWaalsContact CG2-CE2 3.47Å; T104-F111 HydrophobicContact CG2-CZ 4.17Å; F111-I113 HydrophobicContact CB-CG1 4.12Å
112	L	92	Very high	82	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	117.6	155.5	175.3	62	0	0	0	107.6	I22 F24 P46 L49 F50 F55 W58 L99 L114	I22-L112 PolarHBondContact N-O 3.07Å; I22-L112 PolarHBondContact O-N 2.82Å; F24-L112 HydrophobicContact CE2-CB 4.06Å; F24-L112 HydrophobicContact CE2-CD2 4.3Å; P46-L112 HydrophobicContact CB-CD1 4.24Å; L49-L112 HydrophobicContact CD1-CD1 4.18Å; F50-L112 HydrophobicContact CE2-CB 4.41Å; F50-L112 HydrophobicContact CE2-CD1 4.08Å; F50-L112 HydrophobicContact CZ-CB 3.95Å; F50-L112 HydrophobicContact CZ-CD1 4.05Å; F55-L112 HydrophobicContact CE1-CD2 4.14Å; F55-L112 HydrophobicContact CZ-CD2 4.18Å; W58-L112 HydrophobicContact CH2-CD2 3.95Å; W58-L112 HydrophobicContact CZ3-CD2 3.67Å; L99-L112 HydrophobicContact CB-CD1 4.41Å; L99-L112 HydrophobicContact CD2-CD1 4.32Å; L112-L114 HydrophobicContact CD2-CD1 4.39Å; L112-L114 HydrophobicContact CG-CD1 4.22Å
113	I	92.2	Very high	82.2	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.026	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.5	176.3	-60.5	170.1	0	0	0	108.4	L11 D19 V20 A21 L99 K100 Q102 F111	L11-I113 HydrophobicContact CD1-CD1 3.53Å; L11-I113 HydrophobicContact CD1-CG1 3.89Å; L11-I113 HydrophobicContact CD1-CG2 4.46Å; D19-I113 HydrophobicContact CB-CG2 4.37Å; V20-I113 CarbonylContact O-C 3.59Å; V20-I113 WeakPolarHBondContact O-CA 3.5Å; A21-I113 HydrophobicContact CB-CG1 4.14Å; L99-I113 CarbonylContact C-O 3.59Å; L99-I113 WeakPolarHBondContact CA-O 3.33Å; K100-I113 HydrophobicContact CB-CB 4.15Å; K100-I113 HydrophobicContact CD-CD1 4.28Å; K100-I113 PolarHBondContact N-O 3.05Å; K100-I113 PolarHBondContact O-N 2.96Å; Q102-I113 HydrophobicContact CB-CD1 3.51Å; Q102-I113 HydrophobicContact CB-CG1 4.49Å; Q102-I113 HydrophobicContact CG-CD1 4.27Å; F111-I113 HydrophobicContact CB-CG1 4.12Å
114	L	93.4	Very high	83	Confident	1 Å²	1	61 Å²	61	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.3	169.6	-59	93.8	0	0	0	108.4	D19 V20 I22 W58 L60 L65 K98 L99 L112 L116	D19-L114 WeakPolarHBondContact CA-O 3.3Å; V20-L114 HydrophobicContact CB-CB 4.48Å; V20-L114 PolarHBondContact N-O 3.41Å; V20-L114 PolarHBondContact O-N 3.38Å; I22-L114 HydrophobicContact CD1-CD1 3.55Å; I22-L114 HydrophobicContact CG1-CD1 3.9Å; W58-L114 HydrophobicContact CH2-CD2 3.86Å; W58-L114 HydrophobicContact CH2-CG 4.44Å; W58-L114 HydrophobicContact CZ2-CD2 4.37Å; L60-L114 HydrophobicContact CD1-CD2 4.39Å; L65-L114 HydrophobicContact CD1-CD2 4.33Å; L65-L114 HydrophobicContact CD2-CD1 4.37Å; L65-L114 HydrophobicContact CD2-CD2 3.84Å; K98-L114 WeakPolarHBondContact O-CA 3.33Å; L99-L114 HydrophobicContact CD2-CB 4.42Å; L99-L114 HydrophobicContact CD2-CD2 4.01Å; L99-L114 HydrophobicContact CD2-CG 3.76Å; L112-L114 HydrophobicContact CD2-CD1 4.39Å; L112-L114 HydrophobicContact CG-CD1 4.22Å; L114-L116 HydrophobicContact CB-CD2 3.77Å; L114-L116 HydrophobicContact CB-CG 4Å; L114-L116 HydrophobicContact CD2-CD2 4.16Å
115	S	94	Very high	84.1	Confident	20 Å²	20	59.7 Å²	59.7	14%	0.14	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	105.7	166.2	-63.3	0	0	0	0	108	D19 S97 K98	D19-S115 WeakPolarHBondContact OD1-CA 3.11Å; D19-S115 WeakPolarHBondContact OD1-CB 3.39Å; D19-S115 PolarHBondContact OD1-OG 3.29Å; S97-S115 CarbonylContact C-O 3.54Å; S97-S115 WeakPolarHBondContact CA-O 3.01Å; K98-S115 PolarHBondContact N-O 3.47Å; K98-S115 PolarHBondContact O-N 2.76Å
116	L	94.6	Very high	85.7	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.016	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.2	-175.3	-53.1	179.3	0	0	0	109.9	V17 V18 V20 L60 F88 I92 L114 W125	V17-L116 WeakPolarHBondContact CA-O 3.14Å; V18-L116 HydrophobicContact CG1-CB 3.88Å; V18-L116 PolarHBondContact N-O 2.74Å; V18-L116 PolarHBondContact O-N 2.89Å; V20-L116 HydrophobicContact CG2-CD1 4.08Å; L60-L116 HydrophobicContact CD1-CD2 4.36Å; L60-L116 HydrophobicContact CD2-CD2 4.24Å; F88-L116 HydrophobicContact CE1-CD1 4.32Å; F88-L116 HydrophobicContact CZ-CD1 4.23Å; I92-L116 HydrophobicContact CB-CB 4.47Å; I92-L116 HydrophobicContact CD1-CB 4.35Å; I92-L116 HydrophobicContact CD1-CD1 4.3Å; I92-L116 HydrophobicContact CD1-CD2 3.73Å; I92-L116 HydrophobicContact CD1-CG 4.34Å; I92-L116 HydrophobicContact CG2-CB 4Å; I92-L116 HydrophobicContact CG2-CD1 4.45Å; L114-L116 HydrophobicContact CB-CD2 3.77Å; L114-L116 HydrophobicContact CB-CG 4Å; L114-L116 HydrophobicContact CD2-CD2 4.16Å; L116-W125 HydrophobicContact CD1-CH2 3.75Å; L116-W125 HydrophobicContact CD1-CZ3 3.8Å
117	Y	94.4	Very high	87	Confident	43 Å²	43	51.8 Å²	51.8	17%	0.169	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.9	176.6	-76.4	-99.9	0	0	0	109.3	N16 V17 I92 D93 R96	N16-Y117 CarbonylContact O-C 3.51Å; N16-Y117 WeakPolarHBondContact O-CA 3.19Å; V17-Y117 HydrophobicContact CG2-CD1 3.48Å; V17-Y117 VanDerWaalsContact CG2-CD1 3.48Å; V17-Y117 HydrophobicContact CG2-CE1 3.38Å; V17-Y117 HydrophobicContact CG2-CE2 4.48Å; V17-Y117 HydrophobicContact CG2-CG 4.09Å; I92-Y117 CarbonylContact C-O 3.54Å; I92-Y117 WeakPolarHBondContact CA-O 3.45Å; I92-Y117 WeakPolarHBondContact CB-O 3.49Å; D93-Y117 PolarHBondContact N-O 2.63Å; R96-Y117 HydrophobicContact CB-CD1 4.37Å; R96-Y117 HydrophobicContact CB-CD2 3.58Å; R96-Y117 HydrophobicContact CB-CE2 4.12Å; R96-Y117 HydrophobicContact CB-CG 3.72Å; R96-Y117 VanDerWaalsContact CZ-CD1 3.43Å; R96-Y117 VanDerWaalsContact NH2-CE1 3.28Å; R96-Y117 WeakPolarHBondContact O-CD2 3.5Å; R96-Y117 WeakPolarHBondContact O-CE2 3.27Å
118	K	95.2	Very high	88.7	Confident	16 Å²	16	47.1 Å²	47.1	7%	0.07	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	138.6	178.1	-55.8	174.4	-175.8	173.8	0	110.1	E13 N14 N16 C123	E13-K118 VanDerWaalsContact CG-NZ 3.34Å; E13-K118 WeakPolarHBondContact OE1-CE 3.28Å; E13-K118 IonicContact OE1-NZ 3.61Å; E13-K118 PolarHBondContact OE1-NZ 2.92Å; N14-K118 PolarHBondContact O-NZ 2.83Å; N16-K118 PolarHBondContact O-N 2.92Å; K118-C123 WeakPolarHBondContact CE-O 3.45Å; K118-C123 PolarHBondContact NZ-O 2.89Å
119	R	93	Very high	90.1	Very high	139 Å²	139	45.5 Å²	45.5	53%	0.525	24%	0.239	S	C	.	.	S	Bend	trans	-80.1	-34.4	170.2	-73.6	-172.9	173.8	-178.7	-5.8	112.4	E91 I92	E91-R119 HydrophobicContact CB-CB 4.15Å; E91-R119 HydrophobicContact CB-CG 4.27Å; E91-R119 PolarHBondContact O-N 2.91Å; E91-R119 WeakPolarHBondContact OE2-CD 3.31Å; E91-R119 IonicContact OE2-CZ 3.72Å; E91-R119 IonicContact OE2-NE 3.24Å; E91-R119 IonicContact OE2-NH1 2.8Å; E91-R119 PolarHBondContact OE2-NH1 3.04Å; I92-R119 PolarHBondContact O-NE 2.98Å
120	E	88.1	Confident	91.3	Very high	125 Å²	125	47 Å²	47	58%	0.584	26%	0.261	S	S	*	.	S	Bend	trans	-104.3	115.2	177.3	-68.8	179.5	-174.5	0	0	110
121	P	83.7	Confident	91.9	Very high	93 Å²	93	53 Å²	53	60%	0.604	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	139.2	171.9	-26.3	36.2	0	0	0	111.6	V15	V15-P121 HydrophobicContact CG2-CB 3.86Å
122	G	80.4	Confident	92.1	Very high	58 Å²	58	56.6 Å²	56.6	60%	0.598	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	-3.8	167.6	0	0	0	0	0	116.7	D124	G122-D124 PolarHBondContact O-N 2.86Å
123	C	88.4	Confident	92.1	Very high	31 Å²	31	59.8 Å²	59.8	21%	0.209	34%	0.34	C	S	.	.			trans	-65.4	121.7	166.3	-176.7	0	0	0	0	109.9	P89 C90 K118	P89-C123 VanDerWaalsContact C-SG 3.54Å; P89-C123 PolarHBondContact O-SG 3.16Å; C90-C123 HydrophobicContact CB-CB 3.56Å; C90-C123 VanDerWaalsContact CB-SG 3.59Å; K118-C123 WeakPolarHBondContact CE-O 3.45Å; K118-C123 PolarHBondContact NZ-O 2.89Å
124	D	92.5	Very high	92	Very high	78 Å²	78	61.8 Å²	61.8	42%	0.417	35%	0.354	S	S	.	.			trans	-99.8	97.3	-177.1	-174	-16.3	0	0	0	111	G122 K126 T127 H128	G122-D124 PolarHBondContact O-N 2.86Å; D124-K126 PolarHBondContact OD1-N 2.89Å; D124-T127 WeakPolarHBondContact OD1-CB 3.42Å; D124-T127 PolarHBondContact OD1-N 3.02Å; D124-T127 PolarHBondContact OD1-OG1 3.21Å; D124-T127 VanDerWaalsContact OD2-CB 3.32Å; D124-T127 WeakPolarHBondContact OD2-CB 3.14Å; D124-T127 PolarHBondContact OD2-OG1 2.77Å; D124-H128 WeakPolarHBondContact O-CB 3.33Å; D124-H128 PolarHBondContact O-N 3.05Å
125	W	94.8	Very high	92	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-73.2	-33.5	-178.7	-74.2	41.2	0	0	0	111.9	I10 E13 V18 V20 F88 P89 C90 I92 L116 H128 L129 L135	I10-W125 HydrophobicContact CD1-CB 4.49Å; E13-W125 WeakPolarHBondContact OE1-CB 3.17Å; E13-W125 PolarHBondContact OE1-N 2.94Å; E13-W125 PolarHBondContact OE2-N 2.97Å; V18-W125 HydrophobicContact CG1-CD2 3.86Å; V18-W125 HydrophobicContact CG1-CE3 3.82Å; V18-W125 HydrophobicContact CG1-CG 4.37Å; V18-W125 HydrophobicContact CG1-CH2 4.36Å; V18-W125 HydrophobicContact CG1-CZ2 4.41Å; V18-W125 HydrophobicContact CG1-CZ3 4.09Å; V18-W125 HydrophobicContact CG2-CB 4.07Å; V18-W125 HydrophobicContact CG2-CD2 4.37Å; V18-W125 HydrophobicContact CG2-CE3 4.24Å; V18-W125 HydrophobicContact CG2-CG 4.34Å; V20-W125 HydrophobicContact CG2-CE3 4.17Å; V20-W125 HydrophobicContact CG2-CZ3 4.05Å; F88-W125 HydrophobicContact CB-CH2 3.75Å; F88-W125 HydrophobicContact CB-CZ2 3.77Å; F88-W125 AromaticContact CD1-CH2 3.31Å; F88-W125 HydrophobicContact CD1-CH2 3.31Å; F88-W125 HydrophobicContact CD1-CZ2 4.22Å; F88-W125 AromaticContact CD1-CZ3 3.8Å; F88-W125 HydrophobicContact CD1-CZ3 3.8Å; F88-W125 HydrophobicContact CD2-CH2 4.2Å; F88-W125 AromaticContact CE1-CH2 3.89Å; F88-W125 HydrophobicContact CE1-CH2 3.89Å; F88-W125 HydrophobicContact CE1-CZ3 4.19Å; F88-W125 AromaticContact CG-CH2 3.52Å; F88-W125 HydrophobicContact CG-CH2 3.52Å; F88-W125 HydrophobicContact CG-CZ2 4.04Å; F88-W125 HydrophobicContact CG-CZ3 4.43Å; P89-W125 HydrophobicContact CB-CD2 4.36Å; P89-W125 HydrophobicContact CB-CG 4.22Å; P89-W125 HydrophobicContact CG-CD2 3.92Å; P89-W125 HydrophobicContact CG-CE3 4.41Å; P89-W125 HydrophobicContact CG-CG 4.03Å; C90-W125 PolarHBondContact SG-NE1 2.72Å; I92-W125 HydrophobicContact CG2-CH2 3.96Å; I92-W125 HydrophobicContact CG2-CZ2 3.81Å; L116-W125 HydrophobicContact CD1-CH2 3.75Å; L116-W125 HydrophobicContact CD1-CZ3 3.8Å; W125-H128 PolarHBondContact O-N 2.96Å; W125-L129 WeakPolarHBondContact O-CB 3.18Å; W125-L129 PolarHBondContact O-N 2.83Å; W125-L135 HydrophobicContact CB-CD2 4.4Å; W125-L135 HydrophobicContact CE3-CD1 4.21Å; W125-L135 HydrophobicContact CE3-CD2 3.97Å; W125-L135 HydrophobicContact CZ3-CD1 4.36Å
126	K	95	Very high	91.9	Very high	134 Å²	134	61.9 Å²	61.9	58%	0.583	35%	0.354	S	S	*	.	H	α-helix	trans	-65.2	-44.6	176.7	-175.6	178.6	-177.6	-177.9	0	110.8	I10 E13 D124 L129 A130	I10-K126 HydrophobicContact CB-CB 4.5Å; I10-K126 HydrophobicContact CG2-CB 4.29Å; E13-K126 WeakPolarHBondContact OE2-CB 3.47Å; E13-K126 PolarHBondContact OE2-N 2.94Å; D124-K126 PolarHBondContact OD1-N 2.89Å; K126-L129 PolarHBondContact O-N 3.22Å; K126-A130 WeakPolarHBondContact O-CB 3.35Å; K126-A130 PolarHBondContact O-N 3.44Å
127	T	94.5	Very high	91.4	Very high	64 Å²	64	63 Å²	63	39%	0.393	36%	0.363	S	S	.	.	H	α-helix	trans	-65.6	-43	174.6	-65.4	0	0	0	0	110.7	D124 L129 A130 M131	D124-T127 WeakPolarHBondContact OD1-CB 3.42Å; D124-T127 PolarHBondContact OD1-N 3.02Å; D124-T127 PolarHBondContact OD1-OG1 3.21Å; D124-T127 VanDerWaalsContact OD2-CB 3.32Å; D124-T127 WeakPolarHBondContact OD2-CB 3.14Å; D124-T127 PolarHBondContact OD2-OG1 2.77Å; T127-L129 PolarHBondContact O-N 3.28Å; T127-A130 PolarHBondContact O-N 2.84Å; T127-M131 HydrophobicContact CG2-CE 3.83Å; T127-M131 HydrophobicContact CG2-CG 4.4Å; T127-M131 HydrophobicContact CG2-SD 4.02Å; T127-M131 VanDerWaalsContact O-CG 3.31Å; T127-M131 WeakPolarHBondContact O-CG 3.27Å; T127-M131 PolarHBondContact O-N 2.9Å
128	H	94.3	Very high	90.6	Very high	25 Å²	25	72.4 Å²	72.4	12%	0.116	40%	0.398	C	S	.	.	H	α-helix	trans	-56.2	-50	173.4	-177.4	89.8	0	0	0	112.1	P89 D124 W125 A130 M131 H132 S134	P89-H128 HydrophobicContact CB-CB 4.45Å; P89-H128 HydrophobicContact CG-CB 4.26Å; D124-H128 WeakPolarHBondContact O-CB 3.33Å; D124-H128 PolarHBondContact O-N 3.05Å; W125-H128 PolarHBondContact O-N 2.96Å; H128-A130 VanDerWaalsContact C-N 3.33Å; H128-A130 PolarHBondContact O-N 3.17Å; H128-M131 PolarHBondContact O-N 2.75Å; H128-H132 AromaticContact CE1-CD2 3.37Å; H128-H132 PolarHBondContact CE1-CD2 3.16Å; H128-H132 AromaticContact CE1-NE2 3.92Å; H128-H132 AromaticContact CG-CD2 3.8Å; H128-H132 AromaticContact ND1-CD2 3.36Å; H128-H132 PolarHBondContact ND1-CD2 2.76Å; H128-H132 AromaticContact ND1-NE2 3.8Å; H128-H132 AromaticContact NE2-CD2 3.84Å; H128-H132 PolarHBondContact O-CD2 3.35Å; H128-H132 VanDerWaalsContact O-CD2 3.25Å; H128-H132 PolarHBondContact O-N 3.14Å; H128-S134 PolarHBondContact CD2-O 3.26Å; H128-S134 VanDerWaalsContact CD2-O 3.29Å
129	L	94.8	Very high	90.3	Very high	31 Å²	31	75.3 Å²	75.3	16%	0.162	41%	0.414	C	S	.	.	H	α-helix	trans	-60.4	-41.4	178.2	-179.4	60.7	0	0	0	112.1	I10 W125 K126 T127 M131 G133 L135	I10-L129 HydrophobicContact CG1-CD2 3.81Å; W125-L129 WeakPolarHBondContact O-CB 3.18Å; W125-L129 PolarHBondContact O-N 2.83Å; K126-L129 PolarHBondContact O-N 3.22Å; T127-L129 PolarHBondContact O-N 3.28Å; L129-M131 VanDerWaalsContact C-N 3.33Å; L129-M131 PolarHBondContact O-N 2.76Å; L129-G133 VanDerWaalsContact O-CA 3.23Å; L129-G133 WeakPolarHBondContact O-CA 3.41Å; L129-G133 PolarHBondContact O-N 3.39Å; L129-L135 HydrophobicContact CB-CD2 3.93Å; L129-L135 HydrophobicContact CD1-CD2 4.38Å; L129-L135 HydrophobicContact CD1-CG 4.27Å
130	A	93.8	Very high	90.2	Very high	85 Å²	85	71.9 Å²	71.9	70%	0.702	41%	0.409	S	S	*	.	H	α-helix	trans	-65.9	-35.3	179	0	0	0	0	0	112.6	K126 T127 H128	K126-A130 WeakPolarHBondContact O-CB 3.35Å; K126-A130 PolarHBondContact O-N 3.44Å; T127-A130 PolarHBondContact O-N 2.84Å; H128-A130 VanDerWaalsContact C-N 3.33Å; H128-A130 PolarHBondContact O-N 3.17Å
131	M	93.4	Very high	90.3	Very high	127 Å²	127	68.9 Å²	68.9	63%	0.626	40%	0.399	S	S	*	.	H	α-helix	trans	-80	-41.1	-179.4	-68.6	-174.9	-53.3	0	0	113	T127 H128 L129	T127-M131 HydrophobicContact CG2-CE 3.83Å; T127-M131 HydrophobicContact CG2-CG 4.4Å; T127-M131 HydrophobicContact CG2-SD 4.02Å; T127-M131 VanDerWaalsContact O-CG 3.31Å; T127-M131 WeakPolarHBondContact O-CG 3.27Å; T127-M131 PolarHBondContact O-N 2.9Å; H128-M131 PolarHBondContact O-N 2.75Å; L129-M131 VanDerWaalsContact C-N 3.33Å; L129-M131 PolarHBondContact O-N 2.76Å
132	H	92.5	Very high	90.7	Very high	111 Å²	111	67.5 Å²	67.5	51%	0.514	39%	0.387	S	S	.	.	H	α-helix	trans	-103	-9.8	-171.8	-60	-72	0	0	0	113.7	H128 S134	H128-H132 AromaticContact CE1-CD2 3.37Å; H128-H132 PolarHBondContact CE1-CD2 3.16Å; H128-H132 AromaticContact CE1-NE2 3.92Å; H128-H132 AromaticContact CG-CD2 3.8Å; H128-H132 AromaticContact ND1-CD2 3.36Å; H128-H132 PolarHBondContact ND1-CD2 2.76Å; H128-H132 AromaticContact ND1-NE2 3.8Å; H128-H132 AromaticContact NE2-CD2 3.84Å; H128-H132 PolarHBondContact O-CD2 3.35Å; H128-H132 VanDerWaalsContact O-CD2 3.25Å; H128-H132 PolarHBondContact O-N 3.14Å; H132-S134 PolarHBondContact O-N 3.42Å; H132-S134 VanDerWaalsContact O-N 3.12Å
133	G	90.5	Very high	91.3	Very high	66 Å²	66	68.1 Å²	68.1	68%	0.68	37%	0.374	S	S	*	.	S	Bend	trans	68.9	1.6	-175.4	0	0	0	0	0	114.2	L129	L129-G133 VanDerWaalsContact O-CA 3.23Å; L129-G133 WeakPolarHBondContact O-CA 3.41Å; L129-G133 PolarHBondContact O-N 3.39Å
134	S	91.9	Very high	91.5	Very high	47 Å²	47	70.6 Å²	70.6	33%	0.329	39%	0.385	S	S	.	.	S	Bend	trans	-145	169.1	178	81.8	0	0	0	0	111.3	H128 H132 D136	H128-S134 PolarHBondContact CD2-O 3.26Å; H128-S134 VanDerWaalsContact CD2-O 3.29Å; H132-S134 PolarHBondContact O-N 3.42Å; H132-S134 VanDerWaalsContact O-N 3.12Å; S134-D136 PolarHBondContact OG-N 3.01Å
135	L	92.5	Very high	91.5	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.382	C	S	.	.	S	Bend	trans	-95.9	7.9	170.4	-67	176.4	0	0	0	112.6	V8 I10 V20 I85 P89 W125 L129 A137	V8-L135 HydrophobicContact CG1-CD1 3.87Å; I10-L135 HydrophobicContact CD1-CD1 4.14Å; I10-L135 HydrophobicContact CD1-CD2 4.15Å; V20-L135 HydrophobicContact CG1-CD1 3.73Å; V20-L135 HydrophobicContact CG2-CD1 4.1Å; I85-L135 HydrophobicContact CD1-CB 3.89Å; I85-L135 HydrophobicContact CD1-CD1 4.16Å; I85-L135 HydrophobicContact CG1-CB 4.28Å; I85-L135 VanDerWaalsContact CG2-O 3.31Å; I85-L135 WeakPolarHBondContact CG2-O 3.39Å; P89-L135 WeakPolarHBondContact CD-O 3.36Å; W125-L135 HydrophobicContact CB-CD2 4.4Å; W125-L135 HydrophobicContact CE3-CD1 4.21Å; W125-L135 HydrophobicContact CE3-CD2 3.97Å; W125-L135 HydrophobicContact CZ3-CD1 4.36Å; L129-L135 HydrophobicContact CB-CD2 3.93Å; L129-L135 HydrophobicContact CD1-CD2 4.38Å; L129-L135 HydrophobicContact CD1-CG 4.27Å; L135-A137 PolarHBondContact O-N 3.22Å
136	D	90.9	Very high	91.2	Very high	24 Å²	24	75.5 Å²	75.5	13%	0.128	41%	0.412	C	S	.	.			trans	-86.4	105.8	177.5	-159.6	0.7	0	0	0	109.2	A86 K87 S134 R138	A86-D136 WeakPolarHBondContact CB-OD1 3.02Å; A86-D136 PolarHBondContact N-OD1 2.74Å; K87-D136 PolarHBondContact N-OD1 3.14Å; S134-D136 PolarHBondContact OG-N 3.01Å; D136-R138 PolarHBondContact O-N 2.9Å; D136-R138 IonicContact OD1-NE 3.98Å; D136-R138 IonicContact OD2-CZ 2.7Å; D136-R138 VanDerWaalsContact OD2-CZ 3.24Å; D136-R138 IonicContact OD2-NE 3.84Å; D136-R138 PolarHBondContact OD2-NE 3.4Å; D136-R138 IonicContact OD2-NH2 2.63Å; D136-R138 PolarHBondContact OD2-NH2 2.8Å
137	A	86	Confident	90.9	Very high	25 Å²	25	70.6 Å²	70.6	21%	0.207	40%	0.397	C	S	.	.			trans	-76	75.1	177.2	0	0	0	0	0	110.2	K87 L135	K87-A137 HydrophobicContact CG-CB 4.45Å; K87-A137 WeakPolarHBondContact O-CB 3.28Å; K87-A137 PolarHBondContact O-N 2.82Å; L135-A137 PolarHBondContact O-N 3.22Å
138	R	75.8	Confident	90.6	Very high	242 Å²	242	71.2 Å²	71.2	91%	0.913	40%	0.398	S	S	*	.			trans	-101.2	0	170.3	-63.3	-168.7	-169.4	-168.6	8.8	112	D136	D136-R138 PolarHBondContact O-N 2.9Å; D136-R138 IonicContact OD1-NE 3.98Å; D136-R138 IonicContact OD2-CZ 2.7Å; D136-R138 VanDerWaalsContact OD2-CZ 3.24Å; D136-R138 IonicContact OD2-NE 3.84Å; D136-R138 PolarHBondContact OD2-NE 3.4Å; D136-R138 IonicContact OD2-NH2 2.63Å; D136-R138 PolarHBondContact OD2-NH2 2.8Å

Retrieved 138 of 138 residues in 173.6 ms (Link to these results)

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