A0A077Z702_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z702, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 122 aa.

						>A0A077Z702_TRITR|A0A077Z702
MTAISSEKIHFEVLADQGQSCREACLSRHSTCDMMELENRSEEEVQLIFRKKLGIACTMDKRTWWSFDQPSVVVDPRDENFGRCLGWRGKPDYHDCSARWPTVRRLCMCSTELRCSTRGQNS
					

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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	61.5	Low	83.6	Confident	221 Å²	221	97.1 Å²	97.1	100%	1.089	53%	0.526	S	S	*	.				0	135.1	0	-64.8	175.7	-167.1	0	0	107.5
2	T	71.6	Confident	84.5	Confident	91 Å²	91	92.8 Å²	92.8	56%	0.558	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.8	173.9	-51.1	0	0	0	0	107.5
3	A	76	Confident	85.4	Confident	60 Å²	60	86 Å²	86	50%	0.496	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.8	169.2	0	0	0	0	0	108.2	T117	A3-T117 PolarHBondContact N-O 2.87Å; A3-T117 PolarHBondContact O-N 3.07Å
4	I	79.9	Confident	86.2	Confident	120 Å²	120	80.7 Å²	80.7	62%	0.615	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.1	171.5	-59.5	175	0	0	0	106.3	R114	I4-R114 HydrophobicContact CG2-CB 4.41Å
5	S	84	Confident	87	Confident	78 Å²	78	75.3 Å²	75.3	55%	0.545	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.7	165.7	-174.8	0	0	0	0	108.7	R114 C115	S5-R114 WeakPolarHBondContact O-CA 3.31Å; S5-C115 PolarHBondContact N-O 3.32Å; S5-C115 PolarHBondContact O-N 3.32Å
6	S	84.5	Confident	87.6	Confident	77 Å²	77	76.3 Å²	76.3	54%	0.538	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.1	172.1	57.6	0	0	0	0	109.7	L113	S6-L113 VanDerWaalsContact CA-O 3.29Å; S6-L113 WeakPolarHBondContact CA-O 3.4Å
7	E	88.8	Confident	88.2	Confident	133 Å²	133	77.6 Å²	77.6	62%	0.621	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.6	173.4	-173.5	175.4	-178.4	0	0	109.6	E112 L113	E7-E112 WeakPolarHBondContact O-CA 3.29Å; E7-L113 PolarHBondContact N-O 3.15Å; E7-L113 PolarHBondContact O-N 3.37Å
8	K	90.7	Very high	88.8	Confident	94 Å²	94	74.4 Å²	74.4	41%	0.409	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.4	173.5	-166.7	176.6	-172	-178	0	108.6	D33 S110	K8-D33 VanDerWaalsContact CE-OD2 3.3Å; K8-D33 WeakPolarHBondContact CE-OD2 3.45Å; K8-D33 IonicContact NZ-OD2 2.62Å; K8-D33 PolarHBondContact NZ-OD2 3.47Å; K8-S110 WeakPolarHBondContact CE-OG 3.3Å
9	I	93.2	Very high	89.3	Confident	64 Å²	64	72.4 Å²	72.4	33%	0.328	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.6	175.8	-60.6	-167.6	0	0	0	108.8	S110 T111 L113	I9-S110 CarbonylContact O-C 3.52Å; I9-S110 WeakPolarHBondContact O-CA 3.01Å; I9-T111 HydrophobicContact CB-CG2 4.38Å; I9-T111 PolarHBondContact N-O 2.97Å; I9-T111 PolarHBondContact O-N 2.95Å; I9-L113 HydrophobicContact CD1-CB 4.44Å; I9-L113 HydrophobicContact CD1-CD1 3.22Å; I9-L113 HydrophobicContact CD1-CG 3.55Å; I9-L113 HydrophobicContact CG1-CD1 4.28Å; I9-L113 HydrophobicContact CG1-CG 4.13Å
10	H	94	Very high	89.7	Confident	70 Å²	70	69 Å²	69	32%	0.324	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	143.9	175.8	-59.7	-104.2	0	0	0	110.4	D33 E36 C109	H10-D33 IonicContact CE1-OD2 2.71Å; H10-D33 PolarHBondContact CE1-OD2 2.93Å; H10-D33 IonicContact ND1-OD2 3.32Å; H10-E36 HydrophobicContact CB-CG 4.1Å; H10-C109 CarbonylContact C-O 3.48Å; H10-C109 VanDerWaalsContact CA-O 3.31Å; H10-C109 WeakPolarHBondContact CA-O 3.28Å
11	F	94.9	Very high	90.1	Very high	60 Å²	60	65.7 Å²	65.7	26%	0.263	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	150	177	59.8	-85.4	0	0	0	111.4	V13 S30 C109 T111	F11-V13 HydrophobicContact CD2-CG2 3.67Å; F11-V13 HydrophobicContact CE2-CG2 3.5Å; F11-V13 VanDerWaalsContact CE2-CG2 3.5Å; F11-S30 WeakPolarHBondContact CZ-OG 3.01Å; F11-C109 HydrophobicContact CD1-CB 4.42Å; F11-C109 HydrophobicContact CD2-CB 4.07Å; F11-C109 HydrophobicContact CE1-CB 3.94Å; F11-C109 HydrophobicContact CE2-CB 3.56Å; F11-C109 HydrophobicContact CG-CB 4.48Å; F11-C109 HydrophobicContact CZ-CB 3.5Å; F11-C109 VanDerWaalsContact CZ-CB 3.5Å; F11-C109 PolarHBondContact N-O 2.68Å; F11-C109 PolarHBondContact O-N 2.84Å; F11-T111 HydrophobicContact CE1-CG2 4.22Å
12	E	95.4	Very high	91.9	Very high	45 Å²	45	62.5 Å²	62.5	21%	0.21	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	139.5	178.9	-58.3	88.5	167.7	0	0	112	I48 K52 L106 M108	E12-I48 HydrophobicContact CB-CG2 4.13Å; E12-I48 HydrophobicContact CG-CD1 4.03Å; E12-I48 HydrophobicContact CG-CG1 4.16Å; E12-I48 HydrophobicContact CG-CG2 3.87Å; E12-K52 VanDerWaalsContact CD-NZ 3.34Å; E12-K52 IonicContact OE1-NZ 3.2Å; E12-K52 PolarHBondContact OE1-NZ 2.99Å; E12-K52 IonicContact OE2-NZ 3.89Å; E12-K52 PolarHBondContact OE2-NZ 3.05Å; E12-L106 HydrophobicContact CB-CD1 4.15Å; E12-L106 HydrophobicContact CG-CD1 4.48Å; E12-M108 HydrophobicContact CG-CE 4.01Å; E12-M108 HydrophobicContact CG-SD 3.75Å
13	V	96	Very high	93.1	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.03	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.4	174.9	172.1	0	0	0	0	109	F11 A24 R28 C107 C109	F11-V13 HydrophobicContact CD2-CG2 3.67Å; F11-V13 HydrophobicContact CE2-CG2 3.5Å; F11-V13 VanDerWaalsContact CE2-CG2 3.5Å; V13-A24 HydrophobicContact CG1-CB 4.04Å; V13-R28 VanDerWaalsContact CG1-CZ 3.42Å; V13-R28 VanDerWaalsContact CG2-CD 3.5Å; V13-C107 HydrophobicContact CB-CB 4.3Å; V13-C107 PolarHBondContact N-O 2.73Å; V13-C107 WeakPolarHBondContact O-CB 3.22Å; V13-C107 PolarHBondContact O-N 2.94Å; V13-C109 HydrophobicContact CG2-CB 4.2Å; V13-C109 WeakPolarHBondContact CG2-SG 3.4Å
14	L	96.9	Very high	94.2	Very high	12 Å²	12	58.8 Å²	58.8	6%	0.063	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112.5	162.9	-168.7	62	0	0	0	108.8	L53 I55 V72 R104	L14-L53 HydrophobicContact CB-CD1 3.9Å; L14-L53 HydrophobicContact CB-CD2 4.16Å; L14-L53 HydrophobicContact CD1-CD1 4.26Å; L14-L53 HydrophobicContact CG-CD1 4.48Å; L14-I55 HydrophobicContact CD2-CD1 3.44Å; L14-I55 VanDerWaalsContact CD2-CD1 3.44Å; L14-I55 HydrophobicContact CD2-CG1 3.72Å; L14-V72 HydrophobicContact CD1-CG1 4.19Å; L14-V72 HydrophobicContact CD2-CG1 4.29Å; L14-R104 HydrophobicContact CD1-CB 3.85Å; L14-R104 HydrophobicContact CD2-CB 4.31Å; L14-R104 VanDerWaalsContact CD2-CZ 3.44Å; L14-R104 HydrophobicContact CG-CB 3.91Å
15	A	97.4	Very high	95.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-59	155.9	177.3	0	0	0	0	0	111.3	Q19 A24 R104 R105	A15-Q19 HydrophobicContact CB-CB 4.14Å; A15-A24 HydrophobicContact CB-CB 3.67Å; A15-R104 VanDerWaalsContact O-CB 3.27Å; A15-R104 WeakPolarHBondContact O-CB 3.28Å; A15-R104 WeakPolarHBondContact O-CG 3.45Å; A15-R104 PolarHBondContact O-NE 2.94Å; A15-R105 HydrophobicContact CB-CB 4.32Å; A15-R105 WeakPolarHBondContact CB-O 3.13Å; A15-R105 PolarHBondContact N-O 2.92Å
16	D	97.5	Very high	95.7	Very high	91 Å²	91	55.1 Å²	55.1	49%	0.487	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-66.9	163.9	167.6	-67.2	-30.8	0	0	0	110.3	G18 Q19	D16-G18 PolarHBondContact O-N 2.87Å; D16-Q19 HydrophobicContact CB-CB 4.23Å; D16-Q19 VanDerWaalsContact O-CB 3.24Å; D16-Q19 WeakPolarHBondContact O-CB 3.36Å; D16-Q19 PolarHBondContact O-N 2.62Å
17	Q	97.6	Very high	96.3	Very high	98 Å²	98	54.9 Å²	54.9	46%	0.458	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	128.4	-178	177.9	177.7	-10.3	0	0	110.5	Q19 V74 P101 V103 R104	Q17-Q19 PolarHBondContact O-N 2.84Å; Q17-V74 HydrophobicContact CB-CG2 4.02Å; Q17-V74 HydrophobicContact CG-CG2 3.84Å; Q17-P101 WeakPolarHBondContact CG-O 3.03Å; Q17-P101 PolarHBondContact NE2-O 2.01Å; Q17-V103 WeakPolarHBondContact CA-O 3.42Å; Q17-R104 HydrophobicContact CB-CG 4.33Å
18	G	98	Very high	96.6	Very high	21 Å²	21	53.7 Å²	53.7	22%	0.216	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	-0.2	180	0	0	0	0	0	115	D16 R99 W100 V103	D16-G18 PolarHBondContact O-N 2.87Å; G18-R99 WeakPolarHBondContact O-CB 3.32Å; G18-R99 WeakPolarHBondContact O-CD 3.39Å; G18-W100 WeakPolarHBondContact CA-O 3.32Å; G18-V103 PolarHBondContact N-O 2.96Å
19	Q	98.1	Very high	96.8	Very high	36 Å²	36	57.5 Å²	57.5	17%	0.168	28%	0.278	C	S	.	.			trans	-86.3	141	-178.7	-170.5	-178.6	47.4	0	0	111.1	A15 D16 Q17 E23 A24	A15-Q19 HydrophobicContact CB-CB 4.14Å; D16-Q19 HydrophobicContact CB-CB 4.23Å; D16-Q19 VanDerWaalsContact O-CB 3.24Å; D16-Q19 WeakPolarHBondContact O-CB 3.36Å; D16-Q19 PolarHBondContact O-N 2.62Å; Q17-Q19 PolarHBondContact O-N 2.84Å; Q19-E23 HydrophobicContact CG-CB 3.48Å; Q19-E23 VanDerWaalsContact CG-CB 3.48Å; Q19-A24 HydrophobicContact CG-CB 4.35Å
20	S	98.2	Very high	97	Very high	3 Å²	3	55 Å²	55	2%	0.021	27%	0.266	C	S	.	.			trans	-76.9	161.9	171.3	66	0	0	0	0	111.9	R22 E23 A24 S97	S20-R22 VanDerWaalsContact C-N 3.27Å; S20-R22 PolarHBondContact O-N 3.44Å; S20-E23 WeakPolarHBondContact CB-OE2 3.31Å; S20-E23 PolarHBondContact N-OE2 3.05Å; S20-E23 PolarHBondContact O-N 3.1Å; S20-E23 WeakPolarHBondContact OG-CG 3.44Å; S20-E23 PolarHBondContact OG-N 2.93Å; S20-E23 PolarHBondContact OG-OE2 3.28Å; S20-A24 WeakPolarHBondContact O-CB 3.41Å; S20-A24 PolarHBondContact O-N 2.68Å; S20-S97 WeakPolarHBondContact CB-O 3.5Å
21	C	97.9	Very high	97.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-31.2	174.3	-67.4	0	0	0	0	113.2	A24 C25 C32 M34 C96 C107	C21-A24 PolarHBondContact O-N 3.22Å; C21-C25 WeakPolarHBondContact O-CB 3.46Å; C21-C25 PolarHBondContact O-N 2.9Å; C21-C25 PolarHBondContact O-SG 3Å; C21-C32 WeakPolarHBondContact CB-SG 3.26Å; C21-M34 HydrophobicContact CB-SD 4.37Å; C21-C96 PolarHBondContact N-O 2.88Å; C21-C107 WeakPolarHBondContact CA-SG 3.3Å; C21-C107 HydrophobicContact CB-CB 3.55Å; C21-C107 WeakPolarHBondContact CB-SG 3.28Å; C21-C107 WeakPolarHBondContact SG-CA 3.18Å; C21-C107 WeakPolarHBondContact SG-CB 3.25Å; C21-C107 CovalentContact SG-SG 2.04Å; C21-C107 PolarHBondContact SG-SG 3.02Å
22	R	98.2	Very high	97.2	Very high	154 Å²	154	54.4 Å²	54.4	58%	0.581	27%	0.274	S	S	*	.	H	α-helix	trans	-58.7	-50	172.9	-174.5	179.2	-62	-170.7	2.4	111.4	S20 L26 C96	S20-R22 VanDerWaalsContact C-N 3.27Å; S20-R22 PolarHBondContact O-N 3.44Å; R22-L26 WeakPolarHBondContact O-CB 3.38Å; R22-L26 PolarHBondContact O-N 3.45Å; R22-C96 PolarHBondContact N-O 3.05Å
23	E	98.5	Very high	97.1	Very high	74 Å²	74	52.9 Å²	52.9	35%	0.346	27%	0.267	S	S	.	.	H	α-helix	trans	-66.1	-42.6	179.1	-70.2	153.5	163.4	0	0	111.4	Q19 S20 C25 L26 S27 R99	Q19-E23 HydrophobicContact CG-CB 3.48Å; Q19-E23 VanDerWaalsContact CG-CB 3.48Å; S20-E23 WeakPolarHBondContact CB-OE2 3.31Å; S20-E23 PolarHBondContact N-OE2 3.05Å; S20-E23 PolarHBondContact O-N 3.1Å; S20-E23 WeakPolarHBondContact OG-CG 3.44Å; S20-E23 PolarHBondContact OG-N 2.93Å; S20-E23 PolarHBondContact OG-OE2 3.28Å; E23-C25 PolarHBondContact O-N 3.17Å; E23-L26 PolarHBondContact O-N 2.84Å; E23-S27 PolarHBondContact O-N 3.32Å; E23-R99 IonicContact OE1-NH2 3.21Å
24	A	98.1	Very high	96.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66	-36.5	-178.9	0	0	0	0	0	113.6	V13 A15 Q19 S20 C21 S27 R28	V13-A24 HydrophobicContact CG1-CB 4.04Å; A15-A24 HydrophobicContact CB-CB 3.67Å; Q19-A24 HydrophobicContact CG-CB 4.35Å; S20-A24 WeakPolarHBondContact O-CB 3.41Å; S20-A24 PolarHBondContact O-N 2.68Å; C21-A24 PolarHBondContact O-N 3.22Å; A24-S27 PolarHBondContact O-OG 2.67Å; A24-R28 PolarHBondContact O-NH1 2.78Å
25	C	98.1	Very high	96.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-75.6	-40.4	174	-61.4	0	0	0	0	111.4	C21 E23 S27 R28 H29 S30 C32 C109	C21-C25 WeakPolarHBondContact O-CB 3.46Å; C21-C25 PolarHBondContact O-N 2.9Å; C21-C25 PolarHBondContact O-SG 3Å; E23-C25 PolarHBondContact O-N 3.17Å; C25-S27 VanDerWaalsContact C-N 3.3Å; C25-S27 PolarHBondContact O-N 3.21Å; C25-R28 CarbonylContact O-C 3.56Å; C25-R28 WeakPolarHBondContact O-CA 3.06Å; C25-R28 PolarHBondContact O-N 2.92Å; C25-H29 PolarHBondContact O-N 3.01Å; C25-S30 CarbonylContact C-O 3.29Å; C25-S30 VanDerWaalsContact C-O 3.29Å; C25-S30 VanDerWaalsContact C-OG 3.3Å; C25-S30 WeakPolarHBondContact CA-OG 3.5Å; C25-S30 WeakPolarHBondContact CB-OG 3.45Å; C25-S30 PolarHBondContact O-N 3.09Å; C25-S30 PolarHBondContact O-OG 2.96Å; C25-C32 HydrophobicContact CB-CB 4.35Å; C25-C32 VanDerWaalsContact SG-CA 3.57Å; C25-C109 WeakPolarHBondContact CA-SG 3.2Å; C25-C109 HydrophobicContact CB-CB 3.8Å; C25-C109 WeakPolarHBondContact CB-SG 3.37Å; C25-C109 WeakPolarHBondContact SG-CA 3.28Å; C25-C109 WeakPolarHBondContact SG-CB 3.42Å; C25-C109 CovalentContact SG-SG 2.03Å; C25-C109 PolarHBondContact SG-SG 3.2Å
26	L	97.9	Very high	96.1	Very high	121 Å²	121	59.9 Å²	59.9	63%	0.634	30%	0.301	S	S	*	.	H	α-helix	trans	-61.3	-39.2	179.4	-177.4	63.7	0	0	0	111.9	R22 E23 R28 H29	R22-L26 WeakPolarHBondContact O-CB 3.38Å; R22-L26 PolarHBondContact O-N 3.45Å; E23-L26 PolarHBondContact O-N 2.84Å; L26-R28 PolarHBondContact O-N 3.12Å; L26-R28 VanDerWaalsContact O-N 3.09Å; L26-H29 PolarHBondContact O-N 3.37Å
27	S	97	Very high	95.7	Very high	71 Å²	71	55.6 Å²	55.6	50%	0.497	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-13	175.8	68.5	0	0	0	0	113.9	E23 A24 C25	E23-S27 PolarHBondContact O-N 3.32Å; A24-S27 PolarHBondContact O-OG 2.67Å; C25-S27 VanDerWaalsContact C-N 3.3Å; C25-S27 PolarHBondContact O-N 3.21Å
28	R	94.7	Very high	95.1	Very high	108 Å²	108	55.1 Å²	55.1	41%	0.408	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	18.5	175.8	-67.7	169.1	174.2	73.2	1.7	112.6	V13 A24 C25 L26 S30	V13-R28 VanDerWaalsContact CG1-CZ 3.42Å; V13-R28 VanDerWaalsContact CG2-CD 3.5Å; A24-R28 PolarHBondContact O-NH1 2.78Å; C25-R28 CarbonylContact O-C 3.56Å; C25-R28 WeakPolarHBondContact O-CA 3.06Å; C25-R28 PolarHBondContact O-N 2.92Å; L26-R28 PolarHBondContact O-N 3.12Å; L26-R28 VanDerWaalsContact O-N 3.09Å; R28-S30 PolarHBondContact O-N 2.98Å
29	H	95.4	Very high	94.6	Very high	175 Å²	175	59.8 Å²	59.8	81%	0.81	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	40.7	-178.2	-53.6	-69.8	0	0	0	112.8	C25 L26	C25-H29 PolarHBondContact O-N 3.01Å; L26-H29 PolarHBondContact O-N 3.37Å
30	S	96.8	Very high	94.2	Very high	11 Å²	11	61.4 Å²	61.4	8%	0.077	30%	0.3	C	S	.	.			trans	-136.8	169	-174.7	68.7	0	0	0	0	111.4	F11 C25 R28 C109 S110	F11-S30 WeakPolarHBondContact CZ-OG 3.01Å; C25-S30 CarbonylContact C-O 3.29Å; C25-S30 VanDerWaalsContact C-O 3.29Å; C25-S30 VanDerWaalsContact C-OG 3.3Å; C25-S30 WeakPolarHBondContact CA-OG 3.5Å; C25-S30 WeakPolarHBondContact CB-OG 3.45Å; C25-S30 PolarHBondContact O-N 3.09Å; C25-S30 PolarHBondContact O-OG 2.96Å; R28-S30 PolarHBondContact O-N 2.98Å; S30-C109 WeakPolarHBondContact OG-CB 3.08Å; S30-S110 VanDerWaalsContact CB-O 3.28Å; S30-S110 WeakPolarHBondContact CB-O 3.04Å
31	T	96.8	Very high	94	Very high	87 Å²	87	63.4 Å²	63.4	53%	0.534	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.4	178	49.9	0	0	0	0	111.2	D33 C109 S110	T31-D33 PolarHBondContact O-N 2.93Å; T31-C109 CarbonylContact O-C 3.54Å; T31-C109 WeakPolarHBondContact O-CA 3.47Å; T31-S110 PolarHBondContact N-O 3Å; T31-S110 PolarHBondContact O-N 2.95Å; T31-S110 PolarHBondContact O-OG 2.83Å; T31-S110 PolarHBondContact OG1-O 2.96Å; T31-S110 PolarHBondContact OG1-OG 2.04Å; T31-S110 VanDerWaalsContact OG1-OG 3.1Å
32	C	96.4	Very high	93.8	Very high	31 Å²	31	66.1 Å²	66.1	21%	0.209	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	129.6	172.6	-179.6	0	0	0	0	110.5	C21 C25 C96	C21-C32 WeakPolarHBondContact CB-SG 3.26Å; C25-C32 HydrophobicContact CB-CB 4.35Å; C25-C32 VanDerWaalsContact SG-CA 3.57Å; C32-C96 HydrophobicContact CB-CB 3.76Å; C32-C96 WeakPolarHBondContact CB-SG 3.29Å; C32-C96 WeakPolarHBondContact SG-CB 3.42Å; C32-C96 CovalentContact SG-SG 2.04Å; C32-C96 PolarHBondContact SG-SG 3.16Å
33	D	93.9	Very high	93.5	Very high	12 Å²	12	64.6 Å²	64.6	6%	0.064	33%	0.326	C	S	.	.			trans	-141.4	82.1	177.9	-173.1	-2.3	0	0	0	110.5	K8 H10 T31 M35 M108 S110	K8-D33 VanDerWaalsContact CE-OD2 3.3Å; K8-D33 WeakPolarHBondContact CE-OD2 3.45Å; K8-D33 IonicContact NZ-OD2 2.62Å; K8-D33 PolarHBondContact NZ-OD2 3.47Å; H10-D33 IonicContact CE1-OD2 2.71Å; H10-D33 PolarHBondContact CE1-OD2 2.93Å; H10-D33 IonicContact ND1-OD2 3.32Å; T31-D33 PolarHBondContact O-N 2.93Å; D33-M35 VanDerWaalsContact C-N 3.25Å; D33-M35 PolarHBondContact O-N 3.26Å; D33-M35 PolarHBondContact OD1-N 2.03Å; D33-M108 CarbonylContact C-O 3.57Å; D33-M108 PolarHBondContact N-O 2.84Å; D33-M108 WeakPolarHBondContact O-CB 3.43Å; D33-S110 WeakPolarHBondContact CB-OG 3.04Å
34	M	91.6	Very high	93.3	Very high	7 Å²	7	64.3 Å²	64.3	3%	0.034	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-6.9	-177.8	-63.4	-64.8	-70.9	0	0	113.9	C21 E36 L37 H94 M108	C21-M34 HydrophobicContact CB-SD 4.37Å; M34-E36 PolarHBondContact O-N 2.96Å; M34-L37 HydrophobicContact CE-CB 4.45Å; M34-L37 HydrophobicContact CE-CD2 3.57Å; M34-L37 VanDerWaalsContact O-CB 3.26Å; M34-L37 WeakPolarHBondContact O-CB 3.25Å; M34-L37 PolarHBondContact O-N 2.84Å; M34-H94 HydrophobicContact CB-CB 3.35Å; M34-H94 HydrophobicContact CE-CB 4.27Å; M34-H94 HydrophobicContact CG-CB 3.99Å; M34-M108 HydrophobicContact SD-CB 4.23Å; M34-M108 PolarHBondContact SD-N 3.36Å; M34-M108 VanDerWaalsContact SD-N 3.44Å
35	M	88.2	Confident	93.1	Very high	123 Å²	123	64.3 Å²	64.3	61%	0.606	33%	0.325	S	S	*	.	H	α-helix	trans	-61.6	-30	173.2	-64	-174	-59.6	0	0	110.8	D33 L37 E38 N39	D33-M35 VanDerWaalsContact C-N 3.25Å; D33-M35 PolarHBondContact O-N 3.26Å; D33-M35 PolarHBondContact OD1-N 2.03Å; M35-L37 PolarHBondContact O-N 3.38Å; M35-E38 VanDerWaalsContact O-CB 3.25Å; M35-E38 WeakPolarHBondContact O-CB 3.37Å; M35-E38 PolarHBondContact O-N 3.09Å; M35-E38 VanDerWaalsContact O-N 3.09Å; M35-N39 PolarHBondContact O-N 2.85Å
36	E	88.2	Confident	92.8	Very high	35 Å²	35	66.1 Å²	66.1	16%	0.164	33%	0.333	C	S	.	.	H	α-helix	trans	-62	-26.1	174.2	-176.9	56.3	-161	0	0	112.7	H10 M34 R40 M108	H10-E36 HydrophobicContact CB-CG 4.1Å; M34-E36 PolarHBondContact O-N 2.96Å; E36-R40 WeakPolarHBondContact O-CG 3.26Å; E36-R40 IonicContact OE1-CZ 3.87Å; E36-R40 VanDerWaalsContact OE1-CZ 3.27Å; E36-R40 IonicContact OE1-NE 3.34Å; E36-R40 PolarHBondContact OE1-NE 3.44Å; E36-R40 IonicContact OE1-NH2 2.68Å; E36-R40 PolarHBondContact OE1-NH2 3.37Å; E36-M108 HydrophobicContact CB-CB 4.12Å; E36-M108 HydrophobicContact CB-CG 4.15Å; E36-M108 HydrophobicContact CG-CG 4.43Å; E36-M108 HydrophobicContact CG-SD 4.33Å
37	L	89.8	Confident	92.5	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-74.2	-33.2	175.9	-175	69.6	0	0	0	112.2	M34 M35 N39 R40 V45 W64 P70 K90 L106 M108	M34-L37 HydrophobicContact CE-CB 4.45Å; M34-L37 HydrophobicContact CE-CD2 3.57Å; M34-L37 VanDerWaalsContact O-CB 3.26Å; M34-L37 WeakPolarHBondContact O-CB 3.25Å; M34-L37 PolarHBondContact O-N 2.84Å; M35-L37 PolarHBondContact O-N 3.38Å; L37-N39 VanDerWaalsContact C-N 3.3Å; L37-N39 PolarHBondContact O-N 3.25Å; L37-R40 PolarHBondContact O-N 3.43Å; L37-V45 HydrophobicContact CD1-CG2 3.77Å; L37-W64 HydrophobicContact CD2-CH2 4.47Å; L37-W64 HydrophobicContact CD2-CZ3 4.37Å; L37-P70 HydrophobicContact CD1-CG 4.11Å; L37-P70 VanDerWaalsContact CD2-CD 3.47Å; L37-P70 HydrophobicContact CD2-CG 3.57Å; L37-P70 HydrophobicContact CG-CG 4.48Å; L37-K90 HydrophobicContact CG-CD 4.29Å; L37-K90 PolarHBondContact O-NZ 3.49Å; L37-L106 HydrophobicContact CD1-CD2 4.42Å; L37-M108 HydrophobicContact CB-CE 4.29Å; L37-M108 HydrophobicContact CB-CG 3.85Å; L37-M108 HydrophobicContact CD1-CE 3.62Å
38	E	85.9	Confident	92.4	Very high	89 Å²	89	60.8 Å²	60.8	42%	0.416	30%	0.299	S	S	.	.	H	α-helix	trans	-59.8	-43.3	176.9	-169.5	-173.9	164.3	0	0	110.4	M35 R40	M35-E38 VanDerWaalsContact O-CB 3.25Å; M35-E38 WeakPolarHBondContact O-CB 3.37Å; M35-E38 PolarHBondContact O-N 3.09Å; M35-E38 VanDerWaalsContact O-N 3.09Å; E38-R40 PolarHBondContact O-N 3.2Å
39	N	86.6	Confident	92.3	Very high	119 Å²	119	55.6 Å²	55.6	64%	0.636	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.3	-179.8	-67.6	-34	0	0	0	114.8	M35 L37	M35-N39 PolarHBondContact O-N 2.85Å; L37-N39 VanDerWaalsContact C-N 3.3Å; L37-N39 PolarHBondContact O-N 3.25Å
40	R	90.6	Very high	92.1	Very high	70 Å²	70	53.8 Å²	53.8	26%	0.264	27%	0.266	S	S	.	.	S	Bend	trans	-85.4	144.4	179.6	-61.8	-63.4	174.9	175.9	-4.5	111.4	E36 L37 E38 E44 V45 K90 M108	E36-R40 WeakPolarHBondContact O-CG 3.26Å; E36-R40 IonicContact OE1-CZ 3.87Å; E36-R40 VanDerWaalsContact OE1-CZ 3.27Å; E36-R40 IonicContact OE1-NE 3.34Å; E36-R40 PolarHBondContact OE1-NE 3.44Å; E36-R40 IonicContact OE1-NH2 2.68Å; E36-R40 PolarHBondContact OE1-NH2 3.37Å; L37-R40 PolarHBondContact O-N 3.43Å; E38-R40 PolarHBondContact O-N 3.2Å; R40-E44 VanDerWaalsContact CA-OE2 3.26Å; R40-E44 WeakPolarHBondContact CA-OE2 3.5Å; R40-E44 HydrophobicContact CB-CB 4.06Å; R40-E44 WeakPolarHBondContact CD-OE1 3.45Å; R40-E44 IonicContact CZ-OE1 3.12Å; R40-E44 IonicContact NH1-OE1 3.71Å; R40-E44 PolarHBondContact NH1-OE1 3.18Å; R40-V45 HydrophobicContact CB-CG2 4.05Å; R40-K90 PolarHBondContact O-NZ 2.61Å; R40-M108 HydrophobicContact CG-CE 4.34Å
41	S	93.3	Very high	91.7	Very high	45 Å²	45	60.9 Å²	60.9	32%	0.315	30%	0.295	S	S	.	.			trans	-70.3	164.3	167.8	97.8	0	0	0	0	111.5	E43 E44 V45	S41-E43 VanDerWaalsContact C-N 3.25Å; S41-E43 WeakPolarHBondContact CB-OE2 3.33Å; S41-E43 PolarHBondContact O-N 2.62Å; S41-E43 PolarHBondContact OG-N 3.2Å; S41-E43 PolarHBondContact OG-OE2 3.23Å; S41-E44 PolarHBondContact N-OE2 2.76Å; S41-E44 PolarHBondContact O-N 3.34Å; S41-E44 PolarHBondContact OG-N 2.75Å; S41-V45 WeakPolarHBondContact O-CG2 2.98Å; S41-V45 PolarHBondContact O-N 3.49Å; S41-V45 VanDerWaalsContact O-N 3.14Å
42	E	93.1	Very high	91	Very high	57 Å²	57	62.2 Å²	62.2	27%	0.266	29%	0.294	S	S	.	.	H	α-helix	trans	-59.5	-38.7	173.4	-66.2	-165	165.3	0	0	111.5	V45 Q46 W87 R88 G89	E42-V45 PolarHBondContact O-N 3.26Å; E42-Q46 WeakPolarHBondContact O-CG 3.38Å; E42-Q46 PolarHBondContact O-N 3.15Å; E42-Q46 VanDerWaalsContact O-N 3.08Å; E42-W87 HydrophobicContact CB-CE3 3.9Å; E42-W87 HydrophobicContact CB-CZ3 3.97Å; E42-R88 WeakPolarHBondContact OE1-CA 3.19Å; E42-R88 IonicContact OE2-NH1 2.95Å; E42-G89 PolarHBondContact OE1-N 2.83Å
43	E	92.8	Very high	90.5	Very high	121 Å²	121	62.9 Å²	62.9	57%	0.565	30%	0.295	S	S	*	.	H	α-helix	trans	-65.2	-39.3	176.6	-60.9	69.6	-152.1	0	0	111.9	S41 Q46 L47	S41-E43 VanDerWaalsContact C-N 3.25Å; S41-E43 WeakPolarHBondContact CB-OE2 3.33Å; S41-E43 PolarHBondContact O-N 2.62Å; S41-E43 PolarHBondContact OG-N 3.2Å; S41-E43 PolarHBondContact OG-OE2 3.23Å; E43-Q46 PolarHBondContact O-N 3.41Å; E43-L47 WeakPolarHBondContact O-CB 3.41Å; E43-L47 PolarHBondContact O-N 2.67Å
44	E	94	Very high	90.3	Very high	68 Å²	68	65.1 Å²	65.1	32%	0.318	32%	0.321	S	S	.	.	H	α-helix	trans	-64.3	-41.5	175.7	-72.9	-176.7	102.9	0	0	111.6	R40 S41 Q46 L47 I48	R40-E44 VanDerWaalsContact CA-OE2 3.26Å; R40-E44 WeakPolarHBondContact CA-OE2 3.5Å; R40-E44 HydrophobicContact CB-CB 4.06Å; R40-E44 WeakPolarHBondContact CD-OE1 3.45Å; R40-E44 IonicContact CZ-OE1 3.12Å; R40-E44 IonicContact NH1-OE1 3.71Å; R40-E44 PolarHBondContact NH1-OE1 3.18Å; S41-E44 PolarHBondContact N-OE2 2.76Å; S41-E44 PolarHBondContact O-N 3.34Å; S41-E44 PolarHBondContact OG-N 2.75Å; E44-Q46 PolarHBondContact O-N 2.87Å; E44-L47 WeakPolarHBondContact O-CB 3.39Å; E44-L47 PolarHBondContact O-N 3.22Å; E44-L47 VanDerWaalsContact O-N 3.14Å; E44-I48 VanDerWaalsContact O-CG1 3.31Å; E44-I48 WeakPolarHBondContact O-CG1 3.48Å; E44-I48 PolarHBondContact O-N 3.38Å
45	V	93.2	Very high	90.2	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-41	176	179.1	0	0	0	0	111.3	L37 R40 S41 E42 L47 I48 F49 P70 W87 K90 L106	L37-V45 HydrophobicContact CD1-CG2 3.77Å; R40-V45 HydrophobicContact CB-CG2 4.05Å; S41-V45 WeakPolarHBondContact O-CG2 2.98Å; S41-V45 PolarHBondContact O-N 3.49Å; S41-V45 VanDerWaalsContact O-N 3.14Å; E42-V45 PolarHBondContact O-N 3.26Å; V45-L47 VanDerWaalsContact C-N 3.29Å; V45-L47 PolarHBondContact O-N 3.43Å; V45-I48 PolarHBondContact O-N 2.98Å; V45-F49 HydrophobicContact CG1-CD2 4.31Å; V45-F49 HydrophobicContact CG1-CE2 4.07Å; V45-F49 WeakPolarHBondContact O-CD2 3.41Å; V45-F49 PolarHBondContact O-N 3.29Å; V45-P70 HydrophobicContact CG1-CB 4.33Å; V45-P70 HydrophobicContact CG1-CG 4.39Å; V45-W87 HydrophobicContact CB-CB 4.36Å; V45-W87 HydrophobicContact CG1-CB 3.81Å; V45-K90 HydrophobicContact CG2-CD 4.22Å; V45-L106 HydrophobicContact CG1-CD2 4.08Å
46	Q	92.4	Very high	90.2	Very high	39 Å²	39	65.6 Å²	65.6	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-60.2	-40.4	172.2	-68.7	177.7	68.1	0	0	112.2	E42 E43 E44 I48 F49 R50 M59 W87	E42-Q46 WeakPolarHBondContact O-CG 3.38Å; E42-Q46 PolarHBondContact O-N 3.15Å; E42-Q46 VanDerWaalsContact O-N 3.08Å; E43-Q46 PolarHBondContact O-N 3.41Å; E44-Q46 PolarHBondContact O-N 2.87Å; Q46-I48 VanDerWaalsContact C-N 3.35Å; Q46-F49 PolarHBondContact O-N 2.67Å; Q46-R50 PolarHBondContact O-N 2.04Å; Q46-R50 VanDerWaalsContact O-N 3.09Å; Q46-M59 HydrophobicContact CB-CE 4.19Å; Q46-M59 HydrophobicContact CG-CE 3.6Å; Q46-M59 HydrophobicContact CG-CG 4.47Å; Q46-M59 HydrophobicContact CG-SD 4.47Å; Q46-W87 HydrophobicContact CG-CD2 3.68Å; Q46-W87 HydrophobicContact CG-CE3 3.5Å; Q46-W87 VanDerWaalsContact CG-CE3 3.5Å; Q46-W87 HydrophobicContact CG-CG 4.19Å; Q46-W87 HydrophobicContact CG-CZ3 3.99Å; Q46-W87 VanDerWaalsContact NE2-CE3 3.32Å
47	L	92.9	Very high	90.5	Very high	76 Å²	76	64.6 Å²	64.6	40%	0.398	34%	0.337	S	S	.	.	H	α-helix	trans	-65.5	-38.7	178.9	-164.5	72.5	0	0	0	111.8	E43 E44 V45 R50 K51 K52	E43-L47 WeakPolarHBondContact O-CB 3.41Å; E43-L47 PolarHBondContact O-N 2.67Å; E44-L47 WeakPolarHBondContact O-CB 3.39Å; E44-L47 PolarHBondContact O-N 3.22Å; E44-L47 VanDerWaalsContact O-N 3.14Å; V45-L47 VanDerWaalsContact C-N 3.29Å; V45-L47 PolarHBondContact O-N 3.43Å; L47-R50 PolarHBondContact O-N 3.02Å; L47-K51 HydrophobicContact CD1-CB 4.35Å; L47-K51 HydrophobicContact CD1-CD 3.38Å; L47-K51 HydrophobicContact CD1-CG 3.78Å; L47-K51 HydrophobicContact CG-CB 4.43Å; L47-K51 HydrophobicContact CG-CD 4.2Å; L47-K51 HydrophobicContact CG-CG 4.39Å; L47-K51 WeakPolarHBondContact O-CA 3.2Å; L47-K51 WeakPolarHBondContact O-CB 3Å; L47-K51 PolarHBondContact O-N 3.36Å; L47-K52 PolarHBondContact O-N 2.82Å
48	I	94.1	Very high	90.8	Very high	3 Å²	3	69.3 Å²	69.3	2%	0.015	37%	0.366	C	S	.	.	I	π-helix	trans	-58.9	-50.7	176.2	-70.4	162.2	0	0	0	110.1	E12 E44 V45 Q46 K52 L53 L106 M108	E12-I48 HydrophobicContact CB-CG2 4.13Å; E12-I48 HydrophobicContact CG-CD1 4.03Å; E12-I48 HydrophobicContact CG-CG1 4.16Å; E12-I48 HydrophobicContact CG-CG2 3.87Å; E44-I48 VanDerWaalsContact O-CG1 3.31Å; E44-I48 WeakPolarHBondContact O-CG1 3.48Å; E44-I48 PolarHBondContact O-N 3.38Å; V45-I48 PolarHBondContact O-N 2.98Å; Q46-I48 VanDerWaalsContact C-N 3.35Å; I48-K52 HydrophobicContact CG1-CD 4.12Å; I48-K52 PolarHBondContact O-N 3.22Å; I48-L53 HydrophobicContact CG2-CD1 3.92Å; I48-L53 HydrophobicContact CG2-CG 4.16Å; I48-L53 PolarHBondContact O-N 3.43Å; I48-L106 HydrophobicContact CB-CD2 4.28Å; I48-L106 HydrophobicContact CG2-CD1 3.54Å; I48-L106 HydrophobicContact CG2-CD2 3.71Å; I48-L106 HydrophobicContact CG2-CG 4.31Å; I48-M108 HydrophobicContact CD1-CE 3.7Å
49	F	93.2	Very high	91.2	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.351	C	S	.	.	I	π-helix	trans	-58.7	-52.9	177.5	-80.4	-62.8	0	0	0	112.2	V45 Q46 G54 I55 M59 P70 C84 L106	V45-F49 HydrophobicContact CG1-CD2 4.31Å; V45-F49 HydrophobicContact CG1-CE2 4.07Å; V45-F49 WeakPolarHBondContact O-CD2 3.41Å; V45-F49 PolarHBondContact O-N 3.29Å; Q46-F49 PolarHBondContact O-N 2.67Å; F49-G54 PolarHBondContact O-N 2.77Å; F49-I55 WeakPolarHBondContact O-CB 3.42Å; F49-I55 PolarHBondContact O-N 3.37Å; F49-M59 HydrophobicContact CD2-CE 4.23Å; F49-P70 HydrophobicContact CE2-CB 3.93Å; F49-P70 HydrophobicContact CZ-CB 3.95Å; F49-C84 VanDerWaalsContact CD1-SG 3.55Å; F49-C84 HydrophobicContact CD2-CB 4.27Å; F49-C84 HydrophobicContact CE2-CB 4.36Å; F49-C84 HydrophobicContact CG-CB 4.45Å; F49-C84 VanDerWaalsContact CG-SG 3.58Å; F49-L106 HydrophobicContact CE1-CB 3.96Å; F49-L106 HydrophobicContact CE2-CD2 4.1Å; F49-L106 HydrophobicContact CZ-CB 3.76Å; F49-L106 HydrophobicContact CZ-CD2 4.11Å
50	R	90.6	Very high	91.7	Very high	136 Å²	136	60.8 Å²	60.8	51%	0.513	32%	0.323	S	S	.	.	I	π-helix	trans	-76.7	-39	-169.5	-71.5	177	168.1	179	-6.2	114.1	Q46 L47	Q46-R50 PolarHBondContact O-N 2.04Å; Q46-R50 VanDerWaalsContact O-N 3.09Å; L47-R50 PolarHBondContact O-N 3.02Å
51	K	87.2	Confident	91.9	Very high	160 Å²	160	65.8 Å²	65.8	70%	0.696	35%	0.347	S	S	*	.	I	π-helix	trans	-107.4	-49.9	-170.9	-62.7	-162.8	-169.6	173.9	0	113	L47	L47-K51 HydrophobicContact CD1-CB 4.35Å; L47-K51 HydrophobicContact CD1-CD 3.38Å; L47-K51 HydrophobicContact CD1-CG 3.78Å; L47-K51 HydrophobicContact CG-CB 4.43Å; L47-K51 HydrophobicContact CG-CD 4.2Å; L47-K51 HydrophobicContact CG-CG 4.39Å; L47-K51 WeakPolarHBondContact O-CA 3.2Å; L47-K51 WeakPolarHBondContact O-CB 3Å; L47-K51 PolarHBondContact O-N 3.36Å
52	K	82.8	Confident	92	Very high	116 Å²	116	68.2 Å²	68.2	50%	0.504	35%	0.349	S	S	.	.	I	π-helix	trans	-72.7	-43.8	-175.8	-64.9	-166.1	-177.5	-176.6	0	111.7	E12 L47 I48	E12-K52 VanDerWaalsContact CD-NZ 3.34Å; E12-K52 IonicContact OE1-NZ 3.2Å; E12-K52 PolarHBondContact OE1-NZ 2.99Å; E12-K52 IonicContact OE2-NZ 3.89Å; E12-K52 PolarHBondContact OE2-NZ 3.05Å; L47-K52 PolarHBondContact O-N 2.82Å; I48-K52 HydrophobicContact CG1-CD 4.12Å; I48-K52 PolarHBondContact O-N 3.22Å
53	L	86.9	Confident	92.1	Very high	44 Å²	44	69.6 Å²	69.6	23%	0.23	36%	0.362	C	S	.	.	S	Bend	trans	-95.2	-9.1	-178.4	-61.2	176.4	0	0	0	113.6	L14 I48 I55 L106	L14-L53 HydrophobicContact CB-CD1 3.9Å; L14-L53 HydrophobicContact CB-CD2 4.16Å; L14-L53 HydrophobicContact CD1-CD1 4.26Å; L14-L53 HydrophobicContact CG-CD1 4.48Å; I48-L53 HydrophobicContact CG2-CD1 3.92Å; I48-L53 HydrophobicContact CG2-CG 4.16Å; I48-L53 PolarHBondContact O-N 3.43Å; L53-I55 VanDerWaalsContact C-N 3.29Å; L53-I55 HydrophobicContact CB-CG1 3.87Å; L53-I55 PolarHBondContact O-N 2.86Å; L53-L106 HydrophobicContact CD1-CD1 3.82Å
54	G	88.6	Confident	92.1	Very high	59 Å²	59	65.3 Å²	65.3	61%	0.608	34%	0.34	S	S	*	.			trans	64	28.7	178	0	0	0	0	0	114.4	F49	F49-G54 PolarHBondContact O-N 2.77Å
55	I	89.2	Confident	92.1	Very high	32 Å²	32	67.6 Å²	67.6	16%	0.164	35%	0.346	C	S	.	.			trans	-88.2	118.8	-176.2	-56.1	-57.3	0	0	0	110.7	L14 F49 L53 C57 V72	L14-I55 HydrophobicContact CD2-CD1 3.44Å; L14-I55 VanDerWaalsContact CD2-CD1 3.44Å; L14-I55 HydrophobicContact CD2-CG1 3.72Å; F49-I55 WeakPolarHBondContact O-CB 3.42Å; F49-I55 PolarHBondContact O-N 3.37Å; L53-I55 VanDerWaalsContact C-N 3.29Å; L53-I55 HydrophobicContact CB-CG1 3.87Å; L53-I55 PolarHBondContact O-N 2.86Å; I55-C57 HydrophobicContact CG2-CB 3.98Å; I55-C57 PolarHBondContact O-N 2.93Å; I55-V72 HydrophobicContact CG2-CB 4.15Å; I55-V72 HydrophobicContact CG2-CG1 4.17Å; I55-V72 HydrophobicContact CG2-CG2 3.85Å
56	A	88.9	Confident	92.1	Very high	108 Å²	108	69.3 Å²	69.3	89%	0.893	36%	0.358	S	S	*	.			trans	-84.7	85.9	170	0	0	0	0	0	110
57	C	94.9	Very high	92.1	Very high	15 Å²	15	73.4 Å²	73.4	10%	0.101	38%	0.375	C	S	.	.			trans	-122.3	155.8	175	61.6	0	0	0	0	111.6	I55 V72 G82 C84	I55-C57 HydrophobicContact CG2-CB 3.98Å; I55-C57 PolarHBondContact O-N 2.93Å; C57-V72 HydrophobicContact CB-CG2 3.87Å; C57-G82 CarbonylContact C-O 3.6Å; C57-G82 WeakPolarHBondContact CA-O 3.33Å; C57-G82 WeakPolarHBondContact CB-O 3.32Å; C57-C84 HydrophobicContact CB-CB 3.92Å; C57-C84 WeakPolarHBondContact CB-SG 3.48Å; C57-C84 WeakPolarHBondContact SG-CB 3.4Å; C57-C84 CovalentContact SG-SG 2.01Å; C57-C84 PolarHBondContact SG-SG 3.38Å
58	T	96.1	Very high	92.1	Very high	99 Å²	99	70.2 Å²	70.2	61%	0.607	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	120.6	168.8	-60.4	0	0	0	0	109.2	D60 G82 R83 C84	T58-D60 PolarHBondContact O-N 3.24Å; T58-D60 VanDerWaalsContact O-N 3.16Å; T58-G82 PolarHBondContact N-O 2.84Å; T58-R83 CarbonylContact O-C 3.51Å; T58-R83 VanDerWaalsContact O-CA 3.26Å; T58-R83 WeakPolarHBondContact O-CA 3.44Å; T58-C84 PolarHBondContact O-N 3.25Å
59	M	94.8	Very high	92.2	Very high	21 Å²	21	70.1 Å²	70.1	10%	0.103	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	114.4	177.3	-59.7	-48.6	-59.6	0	0	109.7	Q46 F49 C84 W87	Q46-M59 HydrophobicContact CB-CE 4.19Å; Q46-M59 HydrophobicContact CG-CE 3.6Å; Q46-M59 HydrophobicContact CG-CG 4.47Å; Q46-M59 HydrophobicContact CG-SD 4.47Å; F49-M59 HydrophobicContact CD2-CE 4.23Å; M59-C84 HydrophobicContact CE-CB 3.76Å; M59-C84 HydrophobicContact SD-CB 3.71Å; M59-W87 HydrophobicContact CB-CZ2 4.23Å; M59-W87 HydrophobicContact CE-CB 3.9Å; M59-W87 HydrophobicContact CE-CD2 3.89Å; M59-W87 HydrophobicContact CE-CG 3.37Å
60	D	95.9	Very high	92.3	Very high	7 Å²	7	70.1 Å²	70.1	4%	0.037	36%	0.358	C	S	.	.			trans	-78.3	126.3	179.3	-164.3	-55.7	0	0	0	110.2	T58 R62 R83 C84 L85 W87	T58-D60 PolarHBondContact O-N 3.24Å; T58-D60 VanDerWaalsContact O-N 3.16Å; D60-R62 VanDerWaalsContact C-N 3.27Å; D60-R62 PolarHBondContact O-N 3.44Å; D60-R62 VanDerWaalsContact OD1-CB 3.28Å; D60-R62 WeakPolarHBondContact OD1-CB 3.31Å; D60-R62 VanDerWaalsContact OD1-CG 3.3Å; D60-R62 WeakPolarHBondContact OD1-CG 3.42Å; D60-R62 IonicContact OD1-CZ 2.67Å; D60-R62 PolarHBondContact OD1-N 3.41Å; D60-R62 IonicContact OD1-NE 2.61Å; D60-R62 PolarHBondContact OD1-NE 3.26Å; D60-R62 IonicContact OD1-NH2 2.92Å; D60-R62 IonicContact OD2-CZ 3.27Å; D60-R62 IonicContact OD2-NE 3.37Å; D60-R62 PolarHBondContact OD2-NE 3.31Å; D60-R62 IonicContact OD2-NH2 3.95Å; D60-R62 PolarHBondContact OD2-NH2 3.49Å; D60-R83 HydrophobicContact CB-CB 4.44Å; D60-R83 VanDerWaalsContact OD2-CD 3.25Å; D60-R83 WeakPolarHBondContact OD2-CD 3.35Å; D60-R83 IonicContact OD2-CZ 3.83Å; D60-R83 IonicContact OD2-NE 2.97Å; D60-R83 IonicContact OD2-NH1 3.8Å; D60-R83 PolarHBondContact OD2-NH1 2.9Å; D60-C84 WeakPolarHBondContact CB-O 3.46Å; D60-C84 PolarHBondContact N-O 2.91Å; D60-L85 HydrophobicContact CB-CD2 3.76Å; D60-W87 PolarHBondContact O-NE1 3.48Å
61	K	95	Very high	92.7	Very high	175 Å²	175	63.7 Å²	63.7	76%	0.761	33%	0.334	S	S	*	.			trans	-79.5	-6.3	-173.8	-64.2	-176.7	-179.5	-180	0	113.9	R88	K61-R88 WeakPolarHBondContact O-CD 3.08Å; K61-R88 PolarHBondContact O-NE 3.42Å
62	R	95.5	Very high	93.2	Very high	96 Å²	96	56.4 Å²	56.4	36%	0.362	30%	0.303	S	S	.	.	S	Bend	trans	-65.7	140.2	175.6	-68.4	175.6	-71	176.5	1.9	110.2	D60 W65 N80	D60-R62 VanDerWaalsContact C-N 3.27Å; D60-R62 PolarHBondContact O-N 3.44Å; D60-R62 VanDerWaalsContact OD1-CB 3.28Å; D60-R62 WeakPolarHBondContact OD1-CB 3.31Å; D60-R62 VanDerWaalsContact OD1-CG 3.3Å; D60-R62 WeakPolarHBondContact OD1-CG 3.42Å; D60-R62 IonicContact OD1-CZ 2.67Å; D60-R62 PolarHBondContact OD1-N 3.41Å; D60-R62 IonicContact OD1-NE 2.61Å; D60-R62 PolarHBondContact OD1-NE 3.26Å; D60-R62 IonicContact OD1-NH2 2.92Å; D60-R62 IonicContact OD2-CZ 3.27Å; D60-R62 IonicContact OD2-NE 3.37Å; D60-R62 PolarHBondContact OD2-NE 3.31Å; D60-R62 IonicContact OD2-NH2 3.95Å; D60-R62 PolarHBondContact OD2-NH2 3.49Å; R62-W65 HydrophobicContact CB-CE3 4.01Å; R62-W65 HydrophobicContact CB-CH2 4.02Å; R62-W65 HydrophobicContact CB-CZ3 3.42Å; R62-W65 VanDerWaalsContact CB-CZ3 3.42Å; R62-W65 HydrophobicContact CG-CZ3 4.49Å; R62-W65 VanDerWaalsContact CZ-CH2 3.42Å; R62-N80 PolarHBondContact NH2-OD1 3.27Å
63	T	94.8	Very high	93.9	Very high	87 Å²	87	51 Å²	51	53%	0.534	28%	0.279	S	S	.	.			trans	-67.7	144.3	171.3	49.5	0	0	0	0	110	W65	T63-W65 PolarHBondContact O-N 2.92Å
64	W	93.1	Very high	94.4	Very high	31 Å²	31	50.8 Å²	50.8	12%	0.117	28%	0.28	C	S	.	.			trans	-36.2	129.6	175.7	-172	-69.4	0	0	0	113.5	L37 S66 Q69 P70 G86 R88 G89 K90 P91 H94	L37-W64 HydrophobicContact CD2-CH2 4.47Å; L37-W64 HydrophobicContact CD2-CZ3 4.37Å; W64-S66 PolarHBondContact NE1-O 3.45Å; W64-Q69 HydrophobicContact CD2-CB 3.78Å; W64-Q69 HydrophobicContact CE3-CB 3.87Å; W64-Q69 HydrophobicContact CH2-CB 3.92Å; W64-Q69 WeakPolarHBondContact CH2-O 3.49Å; W64-Q69 VanDerWaalsContact CZ2-C 3.44Å; W64-Q69 HydrophobicContact CZ2-CB 3.77Å; W64-Q69 WeakPolarHBondContact CZ2-O 3.24Å; W64-Q69 VanDerWaalsContact CZ3-C 3.41Å; W64-Q69 HydrophobicContact CZ3-CB 3.94Å; W64-P70 HydrophobicContact CH2-CG 4.47Å; W64-P70 HydrophobicContact CZ3-CB 4.2Å; W64-P70 HydrophobicContact CZ3-CG 3.98Å; W64-G86 WeakPolarHBondContact CZ3-O 3.43Å; W64-R88 WeakPolarHBondContact CB-O 3.4Å; W64-R88 PolarHBondContact N-O 3.14Å; W64-G89 WeakPolarHBondContact CB-O 3.5Å; W64-K90 HydrophobicContact CE3-CB 4.38Å; W64-K90 HydrophobicContact CE3-CG 4.01Å; W64-K90 HydrophobicContact CZ3-CG 4.21Å; W64-P91 VanDerWaalsContact CD2-CD 3.47Å; W64-P91 HydrophobicContact CD2-CG 4.25Å; W64-P91 HydrophobicContact CG-CG 4.4Å; W64-P91 HydrophobicContact CZ2-CG 4.27Å; W64-H94 AromaticContact CH2-CD2 3.6Å
65	W	93.5	Very high	94.8	Very high	115 Å²	115	48.6 Å²	48.6	44%	0.436	25%	0.254	S	S	.	.			trans	-136.9	-1.6	-177.2	68	91.8	0	0	0	114.9	R62 T63 Q69 L85	R62-W65 HydrophobicContact CB-CE3 4.01Å; R62-W65 HydrophobicContact CB-CH2 4.02Å; R62-W65 HydrophobicContact CB-CZ3 3.42Å; R62-W65 VanDerWaalsContact CB-CZ3 3.42Å; R62-W65 HydrophobicContact CG-CZ3 4.49Å; R62-W65 VanDerWaalsContact CZ-CH2 3.42Å; T63-W65 PolarHBondContact O-N 2.92Å; W65-Q69 VanDerWaalsContact CD2-NE2 3.31Å; W65-L85 HydrophobicContact CH2-CB 4.14Å; W65-L85 HydrophobicContact CH2-CD1 4.22Å; W65-L85 HydrophobicContact CH2-CD2 3.89Å; W65-L85 HydrophobicContact CH2-CG 4.3Å; W65-L85 HydrophobicContact CZ2-CD1 4.02Å; W65-L85 HydrophobicContact CZ2-CD2 4.39Å; W65-L85 HydrophobicContact CZ3-CB 4.5Å
66	S	93.8	Very high	95.2	Very high	36 Å²	36	51.7 Å²	51.7	25%	0.252	28%	0.277	S	S	.	.	S	Bend	trans	-150.7	148.4	-177.6	-172.3	0	0	0	0	112.2	W64 D68 Q69	W64-S66 PolarHBondContact NE1-O 3.45Å; S66-D68 VanDerWaalsContact C-N 3.26Å; S66-D68 WeakPolarHBondContact CB-OD1 3.39Å; S66-D68 PolarHBondContact O-N 3.46Å; S66-D68 PolarHBondContact OG-OD1 3.42Å; S66-Q69 WeakPolarHBondContact O-CB 3.41Å; S66-Q69 PolarHBondContact O-N 2.84Å
67	F	93.1	Very high	95.6	Very high	125 Å²	125	56.9 Å²	56.9	55%	0.548	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.1	-172.1	-62.4	-69.5	0	0	0	114.7	Q69 A98 R105	F67-Q69 PolarHBondContact O-N 3.14Å; F67-A98 HydrophobicContact CB-CB 3.55Å; F67-A98 WeakPolarHBondContact O-CB 3.36Å; F67-R105 PolarHBondContact O-NE 2.7Å; F67-R105 PolarHBondContact O-NH2 2.65Å
68	D	92.8	Very high	95.8	Very high	9 Å²	9	57.6 Å²	57.6	5%	0.048	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	3.6	177.8	65.1	-67.4	0	0	0	113.8	S66 S71 W100 V103 R105	S66-D68 VanDerWaalsContact C-N 3.26Å; S66-D68 WeakPolarHBondContact CB-OD1 3.39Å; S66-D68 PolarHBondContact O-N 3.46Å; S66-D68 PolarHBondContact OG-OD1 3.42Å; D68-S71 WeakPolarHBondContact O-CB 3.38Å; D68-W100 HydrophobicContact CB-CB 3.65Å; D68-W100 VanDerWaalsContact CG-CB 3.49Å; D68-W100 VanDerWaalsContact OD2-CB 3.29Å; D68-W100 WeakPolarHBondContact OD2-CB 3.04Å; D68-V103 HydrophobicContact CB-CG2 4.41Å; D68-R105 WeakPolarHBondContact O-CD 3.24Å; D68-R105 VanDerWaalsContact O-CG 3.26Å; D68-R105 WeakPolarHBondContact O-CG 3.26Å; D68-R105 PolarHBondContact O-NE 2.71Å
69	Q	95.5	Very high	95.8	Very high	2 Å²	2	61 Å²	61	1%	0.009	29%	0.285	C	S	.	.			trans	-86.7	168.9	174.6	-63.7	177.2	5.3	0	0	110.3	W64 W65 S66 F67 L85 G86 R105	W64-Q69 HydrophobicContact CD2-CB 3.78Å; W64-Q69 HydrophobicContact CE3-CB 3.87Å; W64-Q69 HydrophobicContact CH2-CB 3.92Å; W64-Q69 WeakPolarHBondContact CH2-O 3.49Å; W64-Q69 VanDerWaalsContact CZ2-C 3.44Å; W64-Q69 HydrophobicContact CZ2-CB 3.77Å; W64-Q69 WeakPolarHBondContact CZ2-O 3.24Å; W64-Q69 VanDerWaalsContact CZ3-C 3.41Å; W64-Q69 HydrophobicContact CZ3-CB 3.94Å; W65-Q69 VanDerWaalsContact CD2-NE2 3.31Å; S66-Q69 WeakPolarHBondContact O-CB 3.41Å; S66-Q69 PolarHBondContact O-N 2.84Å; F67-Q69 PolarHBondContact O-N 3.14Å; Q69-L85 HydrophobicContact CG-CB 4.03Å; Q69-G86 VanDerWaalsContact OE1-CA 3.23Å; Q69-R105 PolarHBondContact O-NE 3.32Å; Q69-R105 PolarHBondContact O-NH2 3.29Å
70	P	96.3	Very high	95.9	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.285	C	S	.	.	S	Bend	cis	-67.6	143	-14.8	22.1	-11.9	0	0	0	109	L37 V45 F49 W64 L85 R105 L106	L37-P70 HydrophobicContact CD1-CG 4.11Å; L37-P70 VanDerWaalsContact CD2-CD 3.47Å; L37-P70 HydrophobicContact CD2-CG 3.57Å; L37-P70 HydrophobicContact CG-CG 4.48Å; V45-P70 HydrophobicContact CG1-CB 4.33Å; V45-P70 HydrophobicContact CG1-CG 4.39Å; F49-P70 HydrophobicContact CE2-CB 3.93Å; F49-P70 HydrophobicContact CZ-CB 3.95Å; W64-P70 HydrophobicContact CH2-CG 4.47Å; W64-P70 HydrophobicContact CZ3-CB 4.2Å; W64-P70 HydrophobicContact CZ3-CG 3.98Å; P70-L85 WeakPolarHBondContact CA-O 3.37Å; P70-R105 WeakPolarHBondContact O-CG 3.34Å; P70-L106 HydrophobicContact CB-CB 4.48Å; P70-L106 HydrophobicContact CG-CB 4.07Å; P70-L106 HydrophobicContact CG-CD2 4.04Å; P70-L106 HydrophobicContact CG-CG 4.26Å; P70-L106 PolarHBondContact O-N 3.26Å
71	S	97.3	Very high	96	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	160.4	-173.1	62.6	0	0	0	0	112.1	D68 C84 L85 R104	D68-S71 WeakPolarHBondContact O-CB 3.38Å; S71-C84 CarbonylContact O-C 3.52Å; S71-C84 VanDerWaalsContact O-CA 3.32Å; S71-C84 WeakPolarHBondContact O-CA 3.27Å; S71-L85 PolarHBondContact N-O 3.41Å; S71-L85 PolarHBondContact O-N 3.37Å; S71-R104 CarbonylContact C-O 3.52Å; S71-R104 VanDerWaalsContact CA-O 3.31Å; S71-R104 WeakPolarHBondContact CA-O 3.32Å; S71-R104 WeakPolarHBondContact CB-O 3.4Å
72	V	97.8	Very high	96.1	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.8	166	59.2	0	0	0	0	109.2	L14 I55 C57 V74 R83 V103 R104	L14-V72 HydrophobicContact CD1-CG1 4.19Å; L14-V72 HydrophobicContact CD2-CG1 4.29Å; I55-V72 HydrophobicContact CG2-CB 4.15Å; I55-V72 HydrophobicContact CG2-CG1 4.17Å; I55-V72 HydrophobicContact CG2-CG2 3.85Å; C57-V72 HydrophobicContact CB-CG2 3.87Å; V72-V74 HydrophobicContact CG1-CG1 4.02Å; V72-V74 HydrophobicContact CG2-CG1 4.35Å; V72-R83 WeakPolarHBondContact CA-O 3.39Å; V72-V103 CarbonylContact O-C 3.52Å; V72-V103 VanDerWaalsContact O-CA 3.3Å; V72-V103 WeakPolarHBondContact O-CA 3.32Å; V72-R104 HydrophobicContact CG1-CB 3.86Å; V72-R104 PolarHBondContact N-O 3.37Å; V72-R104 PolarHBondContact O-N 3.21Å
73	V	98	Very high	96.2	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	121.7	176.9	-171.6	0	0	0	0	109.3	D78 N80 G82 R83 L85 V103	V73-D78 HydrophobicContact CG1-CB 3.54Å; V73-D78 VanDerWaalsContact CG1-CG 3.5Å; V73-N80 HydrophobicContact CB-CB 4.36Å; V73-N80 WeakPolarHBondContact CB-O 3.34Å; V73-N80 HydrophobicContact CG1-CB 4.33Å; V73-N80 HydrophobicContact CG2-CB 3.82Å; V73-G82 PolarHBondContact O-N 3.08Å; V73-R83 PolarHBondContact N-O 3.48Å; V73-L85 HydrophobicContact CG2-CD1 3.55Å; V73-L85 HydrophobicContact CG2-CD2 4.34Å; V73-L85 HydrophobicContact CG2-CG 3.89Å; V73-V103 HydrophobicContact CG2-CG1 4.1Å
74	V	97.1	Very high	96.3	Very high	41 Å²	41	54.7 Å²	54.7	25%	0.248	26%	0.257	C	S	.	.			trans	-120	-7.9	-171.8	-61.1	0	0	0	0	114.1	Q17 V72 P76 F81 T102 R104	Q17-V74 HydrophobicContact CB-CG2 4.02Å; Q17-V74 HydrophobicContact CG-CG2 3.84Å; V72-V74 HydrophobicContact CG1-CG1 4.02Å; V72-V74 HydrophobicContact CG2-CG1 4.35Å; V74-P76 WeakPolarHBondContact O-CD 3.44Å; V74-F81 WeakPolarHBondContact O-CE2 3.4Å; V74-T102 PolarHBondContact N-O 2.9Å; V74-R104 HydrophobicContact CG1-CB 4.45Å; V74-R104 HydrophobicContact CG1-CG 3.94Å; V74-R104 HydrophobicContact CG2-CG 3.85Å
75	D	97.7	Very high	96.4	Very high	12 Å²	12	53.6 Å²	53.6	6%	0.064	25%	0.253	C	S	.	.			trans	-84.5	119.4	173	-165.8	-37	0	0	0	110.4	R77 D78 F81 T102	D75-R77 PolarHBondContact O-N 3.2Å; D75-R77 VanDerWaalsContact O-N 3.09Å; D75-R77 VanDerWaalsContact OD1-CB 3.28Å; D75-R77 WeakPolarHBondContact OD1-CB 3.48Å; D75-R77 WeakPolarHBondContact OD1-CG 3.21Å; D75-R77 IonicContact OD1-CZ 3.92Å; D75-R77 PolarHBondContact OD1-N 3.39Å; D75-R77 IonicContact OD1-NE 3.42Å; D75-R77 PolarHBondContact OD1-NE 2.75Å; D75-R77 IonicContact OD1-NH2 3.69Å; D75-R77 IonicContact OD2-CZ 3.79Å; D75-R77 IonicContact OD2-NE 3.95Å; D75-R77 PolarHBondContact OD2-NE 3.18Å; D75-R77 IonicContact OD2-NH2 2.83Å; D75-R77 PolarHBondContact OD2-NH2 2.94Å; D75-D78 WeakPolarHBondContact O-CB 3.26Å; D75-D78 PolarHBondContact O-N 2.82Å; D75-F81 VanDerWaalsContact C-CD2 3.46Å; D75-F81 WeakPolarHBondContact O-CD2 2.8Å; D75-T102 HydrophobicContact CB-CG2 3.69Å; D75-T102 PolarHBondContact N-O 2.84Å
76	P	97.7	Very high	96.5	Very high	97 Å²	97	48.1 Å²	48.1	63%	0.63	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.3	178.9	-22.9	34.4	0	0	0	114.9	V74 D78 F81	V74-P76 WeakPolarHBondContact O-CD 3.44Å; P76-D78 VanDerWaalsContact C-N 3.32Å; P76-F81 HydrophobicContact CB-CD2 4.42Å; P76-F81 HydrophobicContact CB-CE2 4.42Å; P76-F81 HydrophobicContact CG-CD2 4.32Å; P76-F81 HydrophobicContact CG-CE2 3.93Å; P76-F81 HydrophobicContact CG-CZ 4.14Å
77	R	97.9	Very high	96.4	Very high	218 Å²	218	47.1 Å²	47.1	82%	0.823	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-12	177	-59	171.6	-67	177.6	2.2	112.7	D75	D75-R77 PolarHBondContact O-N 3.2Å; D75-R77 VanDerWaalsContact O-N 3.09Å; D75-R77 VanDerWaalsContact OD1-CB 3.28Å; D75-R77 WeakPolarHBondContact OD1-CB 3.48Å; D75-R77 WeakPolarHBondContact OD1-CG 3.21Å; D75-R77 IonicContact OD1-CZ 3.92Å; D75-R77 PolarHBondContact OD1-N 3.39Å; D75-R77 IonicContact OD1-NE 3.42Å; D75-R77 PolarHBondContact OD1-NE 2.75Å; D75-R77 IonicContact OD1-NH2 3.69Å; D75-R77 IonicContact OD2-CZ 3.79Å; D75-R77 IonicContact OD2-NE 3.95Å; D75-R77 PolarHBondContact OD2-NE 3.18Å; D75-R77 IonicContact OD2-NH2 2.83Å; D75-R77 PolarHBondContact OD2-NH2 2.94Å
78	D	97.7	Very high	96.4	Very high	30 Å²	30	45.4 Å²	45.4	16%	0.16	21%	0.213	C	C	.	.	S	Bend	trans	-83.7	133.9	176.6	-163.9	-57.4	0	0	0	110.1	V73 D75 P76 N80 F81 T102	V73-D78 HydrophobicContact CG1-CB 3.54Å; V73-D78 VanDerWaalsContact CG1-CG 3.5Å; D75-D78 WeakPolarHBondContact O-CB 3.26Å; D75-D78 PolarHBondContact O-N 2.82Å; P76-D78 VanDerWaalsContact C-N 3.32Å; D78-N80 PolarHBondContact O-N 2.69Å; D78-N80 VanDerWaalsContact OD1-CB 3.28Å; D78-N80 WeakPolarHBondContact OD1-CB 3.49Å; D78-N80 PolarHBondContact OD1-N 3.03Å; D78-N80 PolarHBondContact OD1-ND2 3.25Å; D78-N80 VanDerWaalsContact OD1-ND2 3.07Å; D78-F81 VanDerWaalsContact O-CB 3.31Å; D78-F81 WeakPolarHBondContact O-CB 3.17Å; D78-F81 PolarHBondContact O-N 3.27Å; D78-T102 HydrophobicContact CB-CG2 4.17Å; D78-T102 VanDerWaalsContact OD2-CB 3.32Å; D78-T102 WeakPolarHBondContact OD2-CB 3.22Å; D78-T102 PolarHBondContact OD2-OG1 3.16Å
79	E	96.6	Very high	96.4	Very high	169 Å²	169	47 Å²	47	79%	0.79	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.9	177.7	66	176.1	-167.6	0	0	113.1
80	N	96.8	Very high	96	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.112	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	9.6	-179.9	-56.6	-72.9	0	0	0	112.6	R62 V73 D78 G82 R83	R62-N80 PolarHBondContact NH2-OD1 3.27Å; V73-N80 HydrophobicContact CB-CB 4.36Å; V73-N80 WeakPolarHBondContact CB-O 3.34Å; V73-N80 HydrophobicContact CG1-CB 4.33Å; V73-N80 HydrophobicContact CG2-CB 3.82Å; D78-N80 PolarHBondContact O-N 2.69Å; D78-N80 VanDerWaalsContact OD1-CB 3.28Å; D78-N80 WeakPolarHBondContact OD1-CB 3.49Å; D78-N80 PolarHBondContact OD1-N 3.03Å; D78-N80 PolarHBondContact OD1-ND2 3.25Å; D78-N80 VanDerWaalsContact OD1-ND2 3.07Å; N80-G82 PolarHBondContact O-N 2.95Å; N80-R83 WeakPolarHBondContact O-CB 3.41Å; N80-R83 VanDerWaalsContact O-CG 3.24Å; N80-R83 WeakPolarHBondContact O-CG 3.31Å; N80-R83 PolarHBondContact O-N 2.93Å
81	F	97.7	Very high	95.6	Very high	111 Å²	111	50.9 Å²	50.9	49%	0.487	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	132.1	-178.2	176.9	-112.3	0	0	0	112.9	V74 D75 P76 D78 R83	V74-F81 WeakPolarHBondContact O-CE2 3.4Å; D75-F81 VanDerWaalsContact C-CD2 3.46Å; D75-F81 WeakPolarHBondContact O-CD2 2.8Å; P76-F81 HydrophobicContact CB-CD2 4.42Å; P76-F81 HydrophobicContact CB-CE2 4.42Å; P76-F81 HydrophobicContact CG-CD2 4.32Å; P76-F81 HydrophobicContact CG-CE2 3.93Å; P76-F81 HydrophobicContact CG-CZ 4.14Å; D78-F81 VanDerWaalsContact O-CB 3.31Å; D78-F81 WeakPolarHBondContact O-CB 3.17Å; D78-F81 PolarHBondContact O-N 3.27Å; F81-R83 VanDerWaalsContact C-N 3.29Å; F81-R83 PolarHBondContact O-N 3.48Å
82	G	96.9	Very high	95.1	Very high	24 Å²	24	57.2 Å²	57.2	25%	0.247	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	7.2	-179.7	0	0	0	0	0	114.7	C57 T58 V73 N80	C57-G82 CarbonylContact C-O 3.6Å; C57-G82 WeakPolarHBondContact CA-O 3.33Å; C57-G82 WeakPolarHBondContact CB-O 3.32Å; T58-G82 PolarHBondContact N-O 2.84Å; V73-G82 PolarHBondContact O-N 3.08Å; N80-G82 PolarHBondContact O-N 2.95Å
83	R	97.5	Very high	94.5	Very high	99 Å²	99	64.2 Å²	64.2	37%	0.374	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	145.8	176.5	-59.9	-174.2	-179.6	-153.9	3.2	112.7	T58 D60 V72 V73 N80 F81 L85	T58-R83 CarbonylContact O-C 3.51Å; T58-R83 VanDerWaalsContact O-CA 3.26Å; T58-R83 WeakPolarHBondContact O-CA 3.44Å; D60-R83 HydrophobicContact CB-CB 4.44Å; D60-R83 VanDerWaalsContact OD2-CD 3.25Å; D60-R83 WeakPolarHBondContact OD2-CD 3.35Å; D60-R83 IonicContact OD2-CZ 3.83Å; D60-R83 IonicContact OD2-NE 2.97Å; D60-R83 IonicContact OD2-NH1 3.8Å; D60-R83 PolarHBondContact OD2-NH1 2.9Å; V72-R83 WeakPolarHBondContact CA-O 3.39Å; V73-R83 PolarHBondContact N-O 3.48Å; N80-R83 WeakPolarHBondContact O-CB 3.41Å; N80-R83 VanDerWaalsContact O-CG 3.24Å; N80-R83 WeakPolarHBondContact O-CG 3.31Å; N80-R83 PolarHBondContact O-N 2.93Å; F81-R83 VanDerWaalsContact C-N 3.29Å; F81-R83 PolarHBondContact O-N 3.48Å; R83-L85 HydrophobicContact CB-CD2 3.69Å
84	C	97.1	Very high	94	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.3	165.8	-81.4	0	0	0	0	110	F49 C57 T58 M59 D60 S71	F49-C84 VanDerWaalsContact CD1-SG 3.55Å; F49-C84 HydrophobicContact CD2-CB 4.27Å; F49-C84 HydrophobicContact CE2-CB 4.36Å; F49-C84 HydrophobicContact CG-CB 4.45Å; F49-C84 VanDerWaalsContact CG-SG 3.58Å; C57-C84 HydrophobicContact CB-CB 3.92Å; C57-C84 WeakPolarHBondContact CB-SG 3.48Å; C57-C84 WeakPolarHBondContact SG-CB 3.4Å; C57-C84 CovalentContact SG-SG 2.01Å; C57-C84 PolarHBondContact SG-SG 3.38Å; T58-C84 PolarHBondContact O-N 3.25Å; M59-C84 HydrophobicContact CE-CB 3.76Å; M59-C84 HydrophobicContact SD-CB 3.71Å; D60-C84 WeakPolarHBondContact CB-O 3.46Å; D60-C84 PolarHBondContact N-O 2.91Å; S71-C84 CarbonylContact O-C 3.52Å; S71-C84 VanDerWaalsContact O-CA 3.32Å; S71-C84 WeakPolarHBondContact O-CA 3.27Å
85	L	96.4	Very high	93.7	Very high	7 Å²	7	64.6 Å²	64.6	4%	0.037	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	156.1	-171.9	-46.3	-174.2	0	0	0	111.3	D60 W65 Q69 P70 S71 V73 R83 W87	D60-L85 HydrophobicContact CB-CD2 3.76Å; W65-L85 HydrophobicContact CH2-CB 4.14Å; W65-L85 HydrophobicContact CH2-CD1 4.22Å; W65-L85 HydrophobicContact CH2-CD2 3.89Å; W65-L85 HydrophobicContact CH2-CG 4.3Å; W65-L85 HydrophobicContact CZ2-CD1 4.02Å; W65-L85 HydrophobicContact CZ2-CD2 4.39Å; W65-L85 HydrophobicContact CZ3-CB 4.5Å; Q69-L85 HydrophobicContact CG-CB 4.03Å; P70-L85 WeakPolarHBondContact CA-O 3.37Å; S71-L85 PolarHBondContact N-O 3.41Å; S71-L85 PolarHBondContact O-N 3.37Å; V73-L85 HydrophobicContact CG2-CD1 3.55Å; V73-L85 HydrophobicContact CG2-CD2 4.34Å; V73-L85 HydrophobicContact CG2-CG 3.89Å; R83-L85 HydrophobicContact CB-CD2 3.69Å; L85-W87 VanDerWaalsContact C-N 3.29Å; L85-W87 PolarHBondContact O-N 3.27Å
86	G	94.5	Very high	93.7	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.319	C	S	.	.			trans	58.1	32.4	169.5	0	0	0	0	0	115.6	W64 Q69 R88	W64-G86 WeakPolarHBondContact CZ3-O 3.43Å; Q69-G86 VanDerWaalsContact OE1-CA 3.23Å; G86-R88 VanDerWaalsContact C-N 3.28Å
87	W	92.6	Very high	93.6	Very high	16 Å²	16	62.7 Å²	62.7	6%	0.061	30%	0.304	C	S	.	.			trans	-83.2	-10.3	168.4	64.3	-84.2	0	0	0	112.3	E42 V45 Q46 M59 D60 L85	E42-W87 HydrophobicContact CB-CE3 3.9Å; E42-W87 HydrophobicContact CB-CZ3 3.97Å; V45-W87 HydrophobicContact CB-CB 4.36Å; V45-W87 HydrophobicContact CG1-CB 3.81Å; Q46-W87 HydrophobicContact CG-CD2 3.68Å; Q46-W87 HydrophobicContact CG-CE3 3.5Å; Q46-W87 VanDerWaalsContact CG-CE3 3.5Å; Q46-W87 HydrophobicContact CG-CG 4.19Å; Q46-W87 HydrophobicContact CG-CZ3 3.99Å; Q46-W87 VanDerWaalsContact NE2-CE3 3.32Å; M59-W87 HydrophobicContact CB-CZ2 4.23Å; M59-W87 HydrophobicContact CE-CB 3.9Å; M59-W87 HydrophobicContact CE-CD2 3.89Å; M59-W87 HydrophobicContact CE-CG 3.37Å; D60-W87 PolarHBondContact O-NE1 3.48Å; L85-W87 VanDerWaalsContact C-N 3.29Å; L85-W87 PolarHBondContact O-N 3.27Å
88	R	93.7	Very high	93.6	Very high	88 Å²	88	52.9 Å²	52.9	33%	0.332	27%	0.27	S	S	.	.	S	Bend	trans	-111.5	148	180	-62.5	172.2	65.8	86.1	-1.4	112.3	E42 K61 W64 G86 K90	E42-R88 WeakPolarHBondContact OE1-CA 3.19Å; E42-R88 IonicContact OE2-NH1 2.95Å; K61-R88 WeakPolarHBondContact O-CD 3.08Å; K61-R88 PolarHBondContact O-NE 3.42Å; W64-R88 WeakPolarHBondContact CB-O 3.4Å; W64-R88 PolarHBondContact N-O 3.14Å; G86-R88 VanDerWaalsContact C-N 3.28Å; R88-K90 VanDerWaalsContact C-N 3.29Å; R88-K90 PolarHBondContact O-N 3.28Å
89	G	91.3	Very high	93.6	Very high	43 Å²	43	58.2 Å²	58.2	44%	0.443	29%	0.287	S	S	.	.	S	Bend	trans	56.3	43.1	171.4	0	0	0	0	0	113	E42 W64	E42-G89 PolarHBondContact OE1-N 2.83Å; W64-G89 WeakPolarHBondContact CB-O 3.5Å
90	K	87.8	Confident	93.6	Very high	39 Å²	39	56.4 Å²	56.4	17%	0.17	27%	0.273	C	S	.	.			trans	-60.7	138.5	-177.5	-62.7	177.3	-71.5	178.4	0	110.3	L37 R40 V45 W64 R88	L37-K90 HydrophobicContact CG-CD 4.29Å; L37-K90 PolarHBondContact O-NZ 3.49Å; R40-K90 PolarHBondContact O-NZ 2.61Å; V45-K90 HydrophobicContact CG2-CD 4.22Å; W64-K90 HydrophobicContact CE3-CB 4.38Å; W64-K90 HydrophobicContact CE3-CG 4.01Å; W64-K90 HydrophobicContact CZ3-CG 4.21Å; R88-K90 VanDerWaalsContact C-N 3.29Å; R88-K90 PolarHBondContact O-N 3.28Å
91	P	88.4	Confident	93.7	Very high	44 Å²	44	59.6 Å²	59.6	29%	0.286	30%	0.295	S	S	.	.			trans	-72.1	163.9	173.2	32.8	-36.3	0	0	0	110.9	W64 Y93 H94	W64-P91 VanDerWaalsContact CD2-CD 3.47Å; W64-P91 HydrophobicContact CD2-CG 4.25Å; W64-P91 HydrophobicContact CG-CG 4.4Å; W64-P91 HydrophobicContact CZ2-CG 4.27Å; P91-Y93 VanDerWaalsContact C-N 3.27Å; P91-Y93 VanDerWaalsContact CG-O 3.32Å; P91-Y93 WeakPolarHBondContact CG-O 3.33Å; P91-Y93 PolarHBondContact O-N 2.89Å; P91-H94 PolarHBondContact O-CE1 2.82Å; P91-H94 PolarHBondContact O-NE2 3.24Å
92	D	86.2	Confident	93.7	Very high	133 Å²	133	55.3 Å²	55.3	71%	0.711	28%	0.278	S	S	*	.	S	Bend	trans	-70.7	-28.1	173	-53.3	-23.2	0	0	0	111.2
93	Y	85.1	Confident	93.8	Very high	154 Å²	154	54.3 Å²	54.3	60%	0.604	27%	0.267	S	S	*	.			trans	-105.4	132.3	-179.1	179.4	-100.7	0	0	0	113.3	P91 D95	P91-Y93 VanDerWaalsContact C-N 3.27Å; P91-Y93 VanDerWaalsContact CG-O 3.32Å; P91-Y93 WeakPolarHBondContact CG-O 3.33Å; P91-Y93 PolarHBondContact O-N 2.89Å; Y93-D95 HydrophobicContact CE1-CB 3.91Å
94	H	86.9	Confident	93.8	Very high	15 Å²	15	53.2 Å²	53.2	7%	0.069	26%	0.263	C	S	.	.			trans	-128.2	108.5	-177.9	-60.3	89.9	0	0	0	111	M34 W64 P91 C96	M34-H94 HydrophobicContact CB-CB 3.35Å; M34-H94 HydrophobicContact CE-CB 4.27Å; M34-H94 HydrophobicContact CG-CB 3.99Å; W64-H94 AromaticContact CH2-CD2 3.6Å; P91-H94 PolarHBondContact O-CE1 2.82Å; P91-H94 PolarHBondContact O-NE2 3.24Å; H94-C96 PolarHBondContact O-N 2.94Å
95	D	92.1	Very high	93.8	Very high	36 Å²	36	53.3 Å²	53.3	19%	0.193	26%	0.263	C	S	.	.			trans	-73.3	110.5	-179.1	178.9	4.4	0	0	0	111.2	Y93 S97 A98 R105	Y93-D95 HydrophobicContact CE1-CB 3.91Å; D95-S97 PolarHBondContact O-N 2.96Å; D95-S97 WeakPolarHBondContact OD1-CA 3.16Å; D95-S97 WeakPolarHBondContact OD1-CB 3.3Å; D95-S97 PolarHBondContact OD1-N 2.55Å; D95-S97 PolarHBondContact OD1-OG 2.84Å; D95-S97 PolarHBondContact OD2-OG 3.01Å; D95-A98 HydrophobicContact CB-CB 3.91Å; D95-A98 PolarHBondContact O-N 3.35Å; D95-A98 PolarHBondContact OD1-N 3.09Å; D95-A98 PolarHBondContact OD2-N 3.36Å; D95-R105 VanDerWaalsContact O-CZ 3.28Å; D95-R105 PolarHBondContact O-NH1 3.21Å; D95-R105 PolarHBondContact O-NH2 2.86Å
96	C	96.3	Very high	93.8	Very high	24 Å²	24	53 Å²	53	16%	0.162	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.9	175.4	-79	0	0	0	0	114.5	C21 R22 C32 H94	C21-C96 PolarHBondContact N-O 2.88Å; R22-C96 PolarHBondContact N-O 3.05Å; C32-C96 HydrophobicContact CB-CB 3.76Å; C32-C96 WeakPolarHBondContact CB-SG 3.29Å; C32-C96 WeakPolarHBondContact SG-CB 3.42Å; C32-C96 CovalentContact SG-SG 2.04Å; C32-C96 PolarHBondContact SG-SG 3.16Å; H94-C96 PolarHBondContact O-N 2.94Å
97	S	97.3	Very high	93.9	Very high	45 Å²	45	53 Å²	53	32%	0.315	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-17.5	-178.5	72.7	0	0	0	0	113.9	S20 D95	S20-S97 WeakPolarHBondContact CB-O 3.5Å; D95-S97 PolarHBondContact O-N 2.96Å; D95-S97 WeakPolarHBondContact OD1-CA 3.16Å; D95-S97 WeakPolarHBondContact OD1-CB 3.3Å; D95-S97 PolarHBondContact OD1-N 2.55Å; D95-S97 PolarHBondContact OD1-OG 2.84Å; D95-S97 PolarHBondContact OD2-OG 3.01Å
98	A	96.6	Very high	94.1	Very high	13 Å²	13	52.3 Å²	52.3	11%	0.107	26%	0.26	C	S	.	.			trans	-59.2	139	175.1	0	0	0	0	0	111.3	F67 D95 R105	F67-A98 HydrophobicContact CB-CB 3.55Å; F67-A98 WeakPolarHBondContact O-CB 3.36Å; D95-A98 HydrophobicContact CB-CB 3.91Å; D95-A98 PolarHBondContact O-N 3.35Å; D95-A98 PolarHBondContact OD1-N 3.09Å; D95-A98 PolarHBondContact OD2-N 3.36Å; A98-R105 PolarHBondContact O-NH1 3.44Å
99	R	97.4	Very high	94.2	Very high	142 Å²	142	48.1 Å²	48.1	54%	0.536	24%	0.244	S	C	.	.			trans	-150.8	155.2	-177.7	67.8	178.9	94.6	100.1	-5.6	109.7	G18 E23	G18-R99 WeakPolarHBondContact O-CB 3.32Å; G18-R99 WeakPolarHBondContact O-CD 3.39Å; E23-R99 IonicContact OE1-NH2 3.21Å
100	W	98.1	Very high	94.4	Very high	130 Å²	130	46.1 Å²	46.1	49%	0.492	22%	0.223	S	C	.	.			trans	-142.5	131.2	173.8	-164.5	-102.2	0	0	0	111.2	G18 D68 T102 V103	G18-W100 WeakPolarHBondContact CA-O 3.32Å; D68-W100 HydrophobicContact CB-CB 3.65Å; D68-W100 VanDerWaalsContact CG-CB 3.49Å; D68-W100 VanDerWaalsContact OD2-CB 3.29Å; D68-W100 WeakPolarHBondContact OD2-CB 3.04Å; W100-T102 PolarHBondContact NE1-OG1 2.85Å; W100-T102 PolarHBondContact O-N 2.8Å; W100-V103 HydrophobicContact CB-CG1 4.28Å; W100-V103 HydrophobicContact CB-CG2 3.91Å; W100-V103 PolarHBondContact O-N 3.41Å; W100-V103 VanDerWaalsContact O-N 3.16Å
101	P	98	Very high	94.8	Very high	89 Å²	89	46.6 Å²	46.6	58%	0.578	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.8	-168.6	-26.9	34.9	0	0	0	115.7	Q17	Q17-P101 WeakPolarHBondContact CG-O 3.03Å; Q17-P101 PolarHBondContact NE2-O 2.01Å
102	T	98.1	Very high	95	Very high	20 Å²	20	49.7 Å²	49.7	12%	0.123	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-5	-174.8	62.5	0	0	0	0	113.5	V74 D75 D78 W100	V74-T102 PolarHBondContact N-O 2.9Å; D75-T102 HydrophobicContact CB-CG2 3.69Å; D75-T102 PolarHBondContact N-O 2.84Å; D78-T102 HydrophobicContact CB-CG2 4.17Å; D78-T102 VanDerWaalsContact OD2-CB 3.32Å; D78-T102 WeakPolarHBondContact OD2-CB 3.22Å; D78-T102 PolarHBondContact OD2-OG1 3.16Å; W100-T102 PolarHBondContact NE1-OG1 2.85Å; W100-T102 PolarHBondContact O-N 2.8Å
103	V	97.9	Very high	95	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.024	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	154.6	-173	-43.2	0	0	0	0	112.8	Q17 G18 D68 V72 V73 W100	Q17-V103 WeakPolarHBondContact CA-O 3.42Å; G18-V103 PolarHBondContact N-O 2.96Å; D68-V103 HydrophobicContact CB-CG2 4.41Å; V72-V103 CarbonylContact O-C 3.52Å; V72-V103 VanDerWaalsContact O-CA 3.3Å; V72-V103 WeakPolarHBondContact O-CA 3.32Å; V73-V103 HydrophobicContact CG2-CG1 4.1Å; W100-V103 HydrophobicContact CB-CG1 4.28Å; W100-V103 HydrophobicContact CB-CG2 3.91Å; W100-V103 PolarHBondContact O-N 3.41Å; W100-V103 VanDerWaalsContact O-N 3.16Å
104	R	98.1	Very high	95.1	Very high	76 Å²	76	48.7 Å²	48.7	29%	0.287	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.8	159.6	-67	-178.1	68.8	-172.1	2.5	107.9	L14 A15 Q17 S71 V72 V74	L14-R104 HydrophobicContact CD1-CB 3.85Å; L14-R104 HydrophobicContact CD2-CB 4.31Å; L14-R104 VanDerWaalsContact CD2-CZ 3.44Å; L14-R104 HydrophobicContact CG-CB 3.91Å; A15-R104 VanDerWaalsContact O-CB 3.27Å; A15-R104 WeakPolarHBondContact O-CB 3.28Å; A15-R104 WeakPolarHBondContact O-CG 3.45Å; A15-R104 PolarHBondContact O-NE 2.94Å; Q17-R104 HydrophobicContact CB-CG 4.33Å; S71-R104 CarbonylContact C-O 3.52Å; S71-R104 VanDerWaalsContact CA-O 3.31Å; S71-R104 WeakPolarHBondContact CA-O 3.32Å; S71-R104 WeakPolarHBondContact CB-O 3.4Å; V72-R104 HydrophobicContact CG1-CB 3.86Å; V72-R104 PolarHBondContact N-O 3.37Å; V72-R104 PolarHBondContact O-N 3.21Å; V74-R104 HydrophobicContact CG1-CB 4.45Å; V74-R104 HydrophobicContact CG1-CG 3.94Å; V74-R104 HydrophobicContact CG2-CG 3.85Å
105	R	97.2	Very high	94.8	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	135.5	-174.6	-169.2	169	-178	-154.8	-6.9	111.4	A15 F67 D68 Q69 P70 D95 A98 C107	A15-R105 HydrophobicContact CB-CB 4.32Å; A15-R105 WeakPolarHBondContact CB-O 3.13Å; A15-R105 PolarHBondContact N-O 2.92Å; F67-R105 PolarHBondContact O-NE 2.7Å; F67-R105 PolarHBondContact O-NH2 2.65Å; D68-R105 WeakPolarHBondContact O-CD 3.24Å; D68-R105 VanDerWaalsContact O-CG 3.26Å; D68-R105 WeakPolarHBondContact O-CG 3.26Å; D68-R105 PolarHBondContact O-NE 2.71Å; Q69-R105 PolarHBondContact O-NE 3.32Å; Q69-R105 PolarHBondContact O-NH2 3.29Å; P70-R105 WeakPolarHBondContact O-CG 3.34Å; D95-R105 VanDerWaalsContact O-CZ 3.28Å; D95-R105 PolarHBondContact O-NH1 3.21Å; D95-R105 PolarHBondContact O-NH2 2.86Å; A98-R105 PolarHBondContact O-NH1 3.44Å; R105-C107 PolarHBondContact O-SG 3.44Å
106	L	96.8	Very high	94.2	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	122.5	166.9	167.2	61.1	0	0	0	108.4	E12 L37 V45 I48 F49 L53 P70	E12-L106 HydrophobicContact CB-CD1 4.15Å; E12-L106 HydrophobicContact CG-CD1 4.48Å; L37-L106 HydrophobicContact CD1-CD2 4.42Å; V45-L106 HydrophobicContact CG1-CD2 4.08Å; I48-L106 HydrophobicContact CB-CD2 4.28Å; I48-L106 HydrophobicContact CG2-CD1 3.54Å; I48-L106 HydrophobicContact CG2-CD2 3.71Å; I48-L106 HydrophobicContact CG2-CG 4.31Å; F49-L106 HydrophobicContact CE1-CB 3.96Å; F49-L106 HydrophobicContact CE2-CD2 4.1Å; F49-L106 HydrophobicContact CZ-CB 3.76Å; F49-L106 HydrophobicContact CZ-CD2 4.11Å; L53-L106 HydrophobicContact CD1-CD1 3.82Å; P70-L106 HydrophobicContact CB-CB 4.48Å; P70-L106 HydrophobicContact CG-CB 4.07Å; P70-L106 HydrophobicContact CG-CD2 4.04Å; P70-L106 HydrophobicContact CG-CG 4.26Å; P70-L106 PolarHBondContact O-N 3.26Å
107	C	96.6	Very high	93.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.7	-174.9	-59.5	0	0	0	0	110.3	V13 C21 R105	V13-C107 HydrophobicContact CB-CB 4.3Å; V13-C107 PolarHBondContact N-O 2.73Å; V13-C107 WeakPolarHBondContact O-CB 3.22Å; V13-C107 PolarHBondContact O-N 2.94Å; C21-C107 WeakPolarHBondContact CA-SG 3.3Å; C21-C107 HydrophobicContact CB-CB 3.55Å; C21-C107 WeakPolarHBondContact CB-SG 3.28Å; C21-C107 WeakPolarHBondContact SG-CA 3.18Å; C21-C107 WeakPolarHBondContact SG-CB 3.25Å; C21-C107 CovalentContact SG-SG 2.04Å; C21-C107 PolarHBondContact SG-SG 3.02Å; R105-C107 PolarHBondContact O-SG 3.44Å
108	M	95.6	Very high	91.9	Very high	2 Å²	2	65.9 Å²	65.9	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.5	168.6	-63.8	-58.8	-177.6	0	0	107.9	E12 D33 M34 E36 L37 R40 I48	E12-M108 HydrophobicContact CG-CE 4.01Å; E12-M108 HydrophobicContact CG-SD 3.75Å; D33-M108 CarbonylContact C-O 3.57Å; D33-M108 PolarHBondContact N-O 2.84Å; D33-M108 WeakPolarHBondContact O-CB 3.43Å; M34-M108 HydrophobicContact SD-CB 4.23Å; M34-M108 PolarHBondContact SD-N 3.36Å; M34-M108 VanDerWaalsContact SD-N 3.44Å; E36-M108 HydrophobicContact CB-CB 4.12Å; E36-M108 HydrophobicContact CB-CG 4.15Å; E36-M108 HydrophobicContact CG-CG 4.43Å; E36-M108 HydrophobicContact CG-SD 4.33Å; L37-M108 HydrophobicContact CB-CE 4.29Å; L37-M108 HydrophobicContact CB-CG 3.85Å; L37-M108 HydrophobicContact CD1-CE 3.62Å; R40-M108 HydrophobicContact CG-CE 4.34Å; I48-M108 HydrophobicContact CD1-CE 3.7Å
109	C	96.6	Very high	90.2	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	155.6	177.7	-57.9	0	0	0	0	109.4	H10 F11 V13 C25 S30 T31	H10-C109 CarbonylContact C-O 3.48Å; H10-C109 VanDerWaalsContact CA-O 3.31Å; H10-C109 WeakPolarHBondContact CA-O 3.28Å; F11-C109 HydrophobicContact CD1-CB 4.42Å; F11-C109 HydrophobicContact CD2-CB 4.07Å; F11-C109 HydrophobicContact CE1-CB 3.94Å; F11-C109 HydrophobicContact CE2-CB 3.56Å; F11-C109 HydrophobicContact CG-CB 4.48Å; F11-C109 HydrophobicContact CZ-CB 3.5Å; F11-C109 VanDerWaalsContact CZ-CB 3.5Å; F11-C109 PolarHBondContact N-O 2.68Å; F11-C109 PolarHBondContact O-N 2.84Å; V13-C109 HydrophobicContact CG2-CB 4.2Å; V13-C109 WeakPolarHBondContact CG2-SG 3.4Å; C25-C109 WeakPolarHBondContact CA-SG 3.2Å; C25-C109 HydrophobicContact CB-CB 3.8Å; C25-C109 WeakPolarHBondContact CB-SG 3.37Å; C25-C109 WeakPolarHBondContact SG-CA 3.28Å; C25-C109 WeakPolarHBondContact SG-CB 3.42Å; C25-C109 CovalentContact SG-SG 2.03Å; C25-C109 PolarHBondContact SG-SG 3.2Å; S30-C109 WeakPolarHBondContact OG-CB 3.08Å; T31-C109 CarbonylContact O-C 3.54Å; T31-C109 WeakPolarHBondContact O-CA 3.47Å
110	S	95.9	Very high	88.2	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.007	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.6	177	56.9	0	0	0	0	112.1	K8 I9 S30 T31 D33	K8-S110 WeakPolarHBondContact CE-OG 3.3Å; I9-S110 CarbonylContact O-C 3.52Å; I9-S110 WeakPolarHBondContact O-CA 3.01Å; S30-S110 VanDerWaalsContact CB-O 3.28Å; S30-S110 WeakPolarHBondContact CB-O 3.04Å; T31-S110 PolarHBondContact N-O 3Å; T31-S110 PolarHBondContact O-N 2.95Å; T31-S110 PolarHBondContact O-OG 2.83Å; T31-S110 PolarHBondContact OG1-O 2.96Å; T31-S110 PolarHBondContact OG1-OG 2.04Å; T31-S110 VanDerWaalsContact OG1-OG 3.1Å; D33-S110 WeakPolarHBondContact CB-OG 3.04Å
111	T	95.3	Very high	86.1	Confident	49 Å²	49	71.4 Å²	71.4	30%	0.301	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.4	174.1	-168.4	0	0	0	0	110	I9 F11	I9-T111 HydrophobicContact CB-CG2 4.38Å; I9-T111 PolarHBondContact N-O 2.97Å; I9-T111 PolarHBondContact O-N 2.95Å; F11-T111 HydrophobicContact CE1-CG2 4.22Å
112	E	92.1	Very high	83.6	Confident	109 Å²	109	76.3 Å²	76.3	51%	0.509	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	115.9	174.7	-71.6	-177.5	-174	0	0	109.5	E7 R114	E7-E112 WeakPolarHBondContact O-CA 3.29Å; E112-R114 IonicContact OE2-CZ 3.69Å; E112-R114 IonicContact OE2-NE 3.53Å; E112-R114 IonicContact OE2-NH2 2.94Å; E112-R114 PolarHBondContact OE2-NH2 2.93Å
113	L	87	Confident	82.9	Confident	87 Å²	87	79.2 Å²	79.2	46%	0.455	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.9	164	-68	-163.7	0	0	0	109.4	S6 E7 I9	S6-L113 VanDerWaalsContact CA-O 3.29Å; S6-L113 WeakPolarHBondContact CA-O 3.4Å; E7-L113 PolarHBondContact N-O 3.15Å; E7-L113 PolarHBondContact O-N 3.37Å; I9-L113 HydrophobicContact CD1-CB 4.44Å; I9-L113 HydrophobicContact CD1-CD1 3.22Å; I9-L113 HydrophobicContact CD1-CG 3.55Å; I9-L113 HydrophobicContact CG1-CD1 4.28Å; I9-L113 HydrophobicContact CG1-CG 4.13Å
114	R	87.2	Confident	82.1	Confident	179 Å²	179	83.1 Å²	83.1	68%	0.675	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.4	174.1	-64.2	-175.6	-177.6	-177.9	0.7	109.6	I4 S5 E112	I4-R114 HydrophobicContact CG2-CB 4.41Å; S5-R114 WeakPolarHBondContact O-CA 3.31Å; E112-R114 IonicContact OE2-CZ 3.69Å; E112-R114 IonicContact OE2-NE 3.53Å; E112-R114 IonicContact OE2-NH2 2.94Å; E112-R114 PolarHBondContact OE2-NH2 2.93Å
115	C	80.8	Confident	81.2	Confident	77 Å²	77	83.5 Å²	83.5	52%	0.52	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.4	175.4	-69.6	0	0	0	0	109	S5	S5-C115 PolarHBondContact N-O 3.32Å; S5-C115 PolarHBondContact O-N 3.32Å
116	S	80.3	Confident	80.3	Confident	86 Å²	86	88.4 Å²	88.4	60%	0.601	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.9	170.2	-65.1	0	0	0	0	109.1
117	T	74.1	Confident	79.3	Confident	92 Å²	92	93.8 Å²	93.8	56%	0.564	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.9	168.6	54	0	0	0	0	108.8	A3 G119	A3-T117 PolarHBondContact N-O 2.87Å; A3-T117 PolarHBondContact O-N 3.07Å; T117-G119 PolarHBondContact O-N 3Å
118	R	70.4	Confident	78.1	Confident	226 Å²	226	100.1 Å²	100.1	85%	0.853	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	106.4	175.2	-150.5	174.9	-171.7	179.5	1.4	107.1	Q120	R118-Q120 PolarHBondContact O-N 3.06Å; R118-Q120 VanDerWaalsContact O-N 3.15Å
119	G	60.3	Low	76.9	Confident	55 Å²	55	107.1 Å²	107.1	57%	0.567	58%	0.58	S	S	*	*			trans	-61.7	115.5	171.7	0	0	0	0	0	109.5	T117 N121	T117-G119 PolarHBondContact O-N 3Å; G119-N121 PolarHBondContact O-N 3.06Å
120	Q	55.7	Low	75.4	Confident	189 Å²	189	115.3 Å²	115.3	88%	0.883	63%	0.625	S	S	*	*			trans	-72.3	111.6	166.1	-75.1	-179.5	-14.8	0	0	106.9	R118 S122	R118-Q120 PolarHBondContact O-N 3.06Å; R118-Q120 VanDerWaalsContact O-N 3.15Å; Q120-S122 PolarHBondContact O-N 3.09Å
121	N	53.8	Low	73.7	Confident	157 Å²	157	124.8 Å²	124.8	84%	0.84	68%	0.676	S	S	*	*			trans	-64.1	123.8	159.2	-85.8	8.4	0	0	0	106.5	G119	G119-N121 PolarHBondContact O-N 3.06Å
122	S	46.8	Very low	71.7	Confident	192 Å²	192	131.7 Å²	131.7	100%	1.343	71%	0.71	S	S	*	*			trans	-53.3	0	172.8	-53.4	0	0	0	0	112.6	Q120	Q120-S122 PolarHBondContact O-N 3.09Å

Retrieved 122 of 122 residues in 124.7 ms (Link to these results)

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