A0A5K4F7D1_SCHMA Loading...

UPAR/Ly6 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7D1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 116 aa.

						>A0A5K4F7D1_SCHMA|A0A5K4F7D1
MHPIITSSHFSIFLIVLCLTMKNVYSITCYVCENCLSVDGSTSTESGCGGCIRTGVKGIYVKRQCVANCSDIAANFPVKDLLSCCTTDYCNHSRQLKPFITMGLIIYSAWYIFNRF
					

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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	39.1	Very low	51.9	Low	228 Å²	228	115 Å²	115	100%	1.123	62%	0.62	S	S	*	*				0	135.9	0	-85	156.6	162	0	0	108.1
2	H	38.9	Very low	53.3	Low	142 Å²	142	113.9 Å²	113.9	66%	0.657	61%	0.612	S	S	*	*			trans	83.8	108.3	175.8	-49.9	-67.7	0	0	0	119
3	P	48.3	Very low	54.1	Low	113 Å²	113	115.6 Å²	115.6	73%	0.734	61%	0.611	S	S	*	*			trans	-116.5	52.4	136.2	38.7	-27.6	0	0	0	108.9
4	I	50.3	Low	54.8	Low	114 Å²	114	113.1 Å²	113.1	59%	0.585	60%	0.598	S	S	*	*			trans	-93.5	-18.8	179.4	-55.5	178.7	0	0	0	110.7
5	I	49.4	Very low	55.6	Low	114 Å²	114	112.2 Å²	112.2	59%	0.585	59%	0.592	S	S	*	*	H	α-helix	trans	-80.8	-23.3	-172.2	-57.5	173.3	0	0	0	112.5	S8 H9	I5-S8 PolarHBondContact O-OG 3.34Å; I5-H9 PolarHBondContact O-CD2 3.22Å
6	T	49.7	Very low	56	Low	108 Å²	108	110 Å²	110	66%	0.663	58%	0.584	S	S	*	*	H	α-helix	trans	-79.4	-28.9	-178.8	54.2	0	0	0	0	113.5
7	S	55.3	Low	56.4	Low	79 Å²	79	108.8 Å²	108.8	55%	0.552	58%	0.577	S	S	*	*	H	α-helix	trans	-77.8	-38.6	-178.7	-179.1	0	0	0	0	113	F10 S11	S7-F10 PolarHBondContact O-N 2.95Å; S7-S11 PolarHBondContact O-N 3.2Å; S7-S11 VanDerWaalsContact O-N 3.13Å; S7-S11 PolarHBondContact O-OG 2.82Å
8	S	58.1	Low	56.7	Low	53 Å²	53	107.1 Å²	107.1	37%	0.371	57%	0.574	S	S	.	*	H	α-helix	trans	-68.7	-37.2	179.4	53.7	0	0	0	0	112.3	I5 S11 I12	I5-S8 PolarHBondContact O-OG 3.34Å; S8-S11 PolarHBondContact O-N 2.96Å; S8-I12 WeakPolarHBondContact O-CD1 3.45Å; S8-I12 VanDerWaalsContact O-CG1 3.23Å; S8-I12 WeakPolarHBondContact O-CG1 3.3Å; S8-I12 PolarHBondContact O-N 2.78Å
9	H	55.5	Low	56.8	Low	123 Å²	123	106.4 Å²	106.4	57%	0.569	57%	0.57	S	S	*	*	H	α-helix	trans	-67.6	-38.9	177.5	-76.4	-126.2	0	0	0	112.4	I5 I12 F13	I5-H9 PolarHBondContact O-CD2 3.22Å; H9-I12 PolarHBondContact O-N 2.55Å; H9-F13 WeakPolarHBondContact O-CB 3.01Å; H9-F13 PolarHBondContact O-N 2.91Å
10	F	58.4	Low	56.6	Low	135 Å²	135	104.7 Å²	104.7	59%	0.592	56%	0.563	S	S	*	*	H	α-helix	trans	-66.2	-41.1	175.7	-167.8	-102.9	0	0	0	111.8	S7 F13 L14	S7-F10 PolarHBondContact O-N 2.95Å; F10-F13 PolarHBondContact O-N 3.04Å; F10-L14 HydrophobicContact CD1-CD1 3.81Å; F10-L14 HydrophobicContact CD1-CG 4.31Å; F10-L14 HydrophobicContact CE1-CD1 3.49Å; F10-L14 VanDerWaalsContact CE1-CD1 3.49Å; F10-L14 HydrophobicContact CE1-CG 4.1Å; F10-L14 HydrophobicContact CZ-CD1 4.24Å; F10-L14 HydrophobicContact CZ-CG 4.49Å; F10-L14 WeakPolarHBondContact O-CG 3.41Å; F10-L14 PolarHBondContact O-N 3.08Å
11	S	68	Low	56.4	Low	56 Å²	56	106.8 Å²	106.8	39%	0.392	57%	0.571	S	S	.	*	H	α-helix	trans	-63.9	-43.2	176.6	-58.2	0	0	0	0	111.9	S7 S8 L14 I15	S7-S11 PolarHBondContact O-N 3.2Å; S7-S11 VanDerWaalsContact O-N 3.13Å; S7-S11 PolarHBondContact O-OG 2.82Å; S8-S11 PolarHBondContact O-N 2.96Å; S11-L14 PolarHBondContact O-N 2.87Å; S11-I15 WeakPolarHBondContact O-CD1 3.49Å; S11-I15 VanDerWaalsContact O-CG1 3.22Å; S11-I15 WeakPolarHBondContact O-CG1 3.33Å; S11-I15 PolarHBondContact O-N 3.04Å
12	I	68.3	Low	57	Low	102 Å²	102	103.2 Å²	103.2	52%	0.523	55%	0.55	S	S	.	.	H	α-helix	trans	-64.2	-42.8	175.8	-66.6	162.8	0	0	0	110.6	S8 H9 L14 I15 V16	S8-I12 WeakPolarHBondContact O-CD1 3.45Å; S8-I12 VanDerWaalsContact O-CG1 3.23Å; S8-I12 WeakPolarHBondContact O-CG1 3.3Å; S8-I12 PolarHBondContact O-N 2.78Å; H9-I12 PolarHBondContact O-N 2.55Å; I12-L14 PolarHBondContact O-N 3.06Å; I12-I15 PolarHBondContact O-N 3.17Å; I12-V16 HydrophobicContact CG2-CG2 4.26Å; I12-V16 VanDerWaalsContact O-CG2 3.32Å; I12-V16 WeakPolarHBondContact O-CG2 3.32Å; I12-V16 PolarHBondContact O-N 2.95Å
13	F	64	Low	57.6	Low	136 Å²	136	101.6 Å²	101.6	60%	0.596	55%	0.546	S	S	*	.	H	α-helix	trans	-60.9	-43.7	177.9	-164.1	-92	0	0	0	111.8	H9 F10 V16 L17	H9-F13 WeakPolarHBondContact O-CB 3.01Å; H9-F13 PolarHBondContact O-N 2.91Å; F10-F13 PolarHBondContact O-N 3.04Å; F13-V16 PolarHBondContact O-N 1.99Å; F13-L17 HydrophobicContact CE1-CD1 4.29Å; F13-L17 WeakPolarHBondContact O-CB 3.41Å; F13-L17 PolarHBondContact O-N 2.76Å
14	L	63.5	Low	57.9	Low	81 Å²	81	101.3 Å²	101.3	42%	0.424	54%	0.542	S	S	.	.	H	α-helix	trans	-65.1	-37	174.9	-71.9	179.3	0	0	0	112.9	F10 S11 I12 L17 C18	F10-L14 HydrophobicContact CD1-CD1 3.81Å; F10-L14 HydrophobicContact CD1-CG 4.31Å; F10-L14 HydrophobicContact CE1-CD1 3.49Å; F10-L14 VanDerWaalsContact CE1-CD1 3.49Å; F10-L14 HydrophobicContact CE1-CG 4.1Å; F10-L14 HydrophobicContact CZ-CD1 4.24Å; F10-L14 HydrophobicContact CZ-CG 4.49Å; F10-L14 WeakPolarHBondContact O-CG 3.41Å; F10-L14 PolarHBondContact O-N 3.08Å; S11-L14 PolarHBondContact O-N 2.87Å; I12-L14 PolarHBondContact O-N 3.06Å; L14-L17 PolarHBondContact O-N 3.32Å; L14-C18 WeakPolarHBondContact O-CB 3.05Å; L14-C18 PolarHBondContact O-N 2.8Å; L14-C18 PolarHBondContact O-SG 2.96Å
15	I	66.4	Low	58.3	Low	99 Å²	99	101.6 Å²	101.6	51%	0.508	54%	0.537	S	S	.	.	H	α-helix	trans	-66.9	-44	175.4	-69	163.5	0	0	0	110.4	S11 I12 C18 L19	S11-I15 WeakPolarHBondContact O-CD1 3.49Å; S11-I15 VanDerWaalsContact O-CG1 3.22Å; S11-I15 WeakPolarHBondContact O-CG1 3.33Å; S11-I15 PolarHBondContact O-N 3.04Å; I12-I15 PolarHBondContact O-N 3.17Å; I15-C18 WeakPolarHBondContact O-CB 3.44Å; I15-C18 PolarHBondContact O-N 3.07Å; I15-L19 HydrophobicContact CG2-CD1 3.75Å; I15-L19 HydrophobicContact CG2-CG 4.3Å; I15-L19 WeakPolarHBondContact O-CB 3.33Å; I15-L19 WeakPolarHBondContact O-CG 3.3Å; I15-L19 PolarHBondContact O-N 2.82Å
16	V	63	Low	59.3	Low	77 Å²	77	99.5 Å²	99.5	47%	0.467	53%	0.532	S	S	.	.	H	α-helix	trans	-64.7	-40.1	176.1	173.5	0	0	0	0	111	I12 F13 L19 T20	I12-V16 HydrophobicContact CG2-CG2 4.26Å; I12-V16 VanDerWaalsContact O-CG2 3.32Å; I12-V16 WeakPolarHBondContact O-CG2 3.32Å; I12-V16 PolarHBondContact O-N 2.95Å; F13-V16 PolarHBondContact O-N 1.99Å; V16-L19 PolarHBondContact O-N 3.19Å; V16-T20 HydrophobicContact CG1-CG2 4.4Å; V16-T20 WeakPolarHBondContact O-CB 3.46Å; V16-T20 VanDerWaalsContact O-CG2 3.3Å; V16-T20 WeakPolarHBondContact O-CG2 3.25Å; V16-T20 PolarHBondContact O-N 3.29Å; V16-T20 PolarHBondContact O-OG1 3.35Å
17	L	61.5	Low	61.1	Low	90 Å²	90	95.4 Å²	95.4	47%	0.471	51%	0.506	S	S	.	.	H	α-helix	trans	-63.7	-42.2	173.2	-146.3	79.6	0	0	0	111.1	F13 L14 L19 T20 M21	F13-L17 HydrophobicContact CE1-CD1 4.29Å; F13-L17 WeakPolarHBondContact O-CB 3.41Å; F13-L17 PolarHBondContact O-N 2.76Å; L14-L17 PolarHBondContact O-N 3.32Å; L17-L19 PolarHBondContact O-N 3.32Å; L17-T20 VanDerWaalsContact CA-OG1 3.31Å; L17-T20 WeakPolarHBondContact CA-OG1 3.38Å; L17-T20 PolarHBondContact O-N 3.06Å; L17-T20 PolarHBondContact O-OG1 2.82Å; L17-M21 WeakPolarHBondContact O-CB 2.98Å; L17-M21 WeakPolarHBondContact O-CG 3.23Å; L17-M21 PolarHBondContact O-N 3.3Å
18	C	62.5	Low	62.8	Low	78 Å²	78	92.9 Å²	92.9	53%	0.527	49%	0.487	S	S	.	.	H	α-helix	trans	-63.7	-37.8	173.8	-74.5	0	0	0	0	112.9	L14 I15 K22	L14-C18 WeakPolarHBondContact O-CB 3.05Å; L14-C18 PolarHBondContact O-N 2.8Å; L14-C18 PolarHBondContact O-SG 2.96Å; I15-C18 WeakPolarHBondContact O-CB 3.44Å; I15-C18 PolarHBondContact O-N 3.07Å; C18-K22 WeakPolarHBondContact O-CG 3.39Å; C18-K22 PolarHBondContact O-N 2.94Å; C18-K22 VanDerWaalsContact O-N 3.11Å
19	L	58.8	Low	64.4	Low	93 Å²	93	90.3 Å²	90.3	49%	0.487	47%	0.469	S	S	.	.	H	α-helix	trans	-73.9	-34.5	179.3	-73.6	167.5	0	0	0	112.6	I15 V16 L17 K22 N23	I15-L19 HydrophobicContact CG2-CD1 3.75Å; I15-L19 HydrophobicContact CG2-CG 4.3Å; I15-L19 WeakPolarHBondContact O-CB 3.33Å; I15-L19 WeakPolarHBondContact O-CG 3.3Å; I15-L19 PolarHBondContact O-N 2.82Å; V16-L19 PolarHBondContact O-N 3.19Å; L17-L19 PolarHBondContact O-N 3.32Å; L19-K22 PolarHBondContact O-N 2.78Å; L19-N23 PolarHBondContact O-N 3.26Å; L19-N23 PolarHBondContact O-ND2 2.75Å
20	T	53	Low	66.2	Low	72 Å²	72	86.7 Å²	86.7	44%	0.442	45%	0.451	S	S	.	.	H	α-helix	trans	-70.6	-41.1	174.1	48.4	0	0	0	0	110.8	V16 L17 K22 N23 V24	V16-T20 HydrophobicContact CG1-CG2 4.4Å; V16-T20 WeakPolarHBondContact O-CB 3.46Å; V16-T20 VanDerWaalsContact O-CG2 3.3Å; V16-T20 WeakPolarHBondContact O-CG2 3.25Å; V16-T20 PolarHBondContact O-N 3.29Å; V16-T20 PolarHBondContact O-OG1 3.35Å; L17-T20 VanDerWaalsContact CA-OG1 3.31Å; L17-T20 WeakPolarHBondContact CA-OG1 3.38Å; L17-T20 PolarHBondContact O-N 3.06Å; L17-T20 PolarHBondContact O-OG1 2.82Å; T20-K22 VanDerWaalsContact C-N 3.26Å; T20-K22 PolarHBondContact O-N 3.13Å; T20-N23 PolarHBondContact O-N 3.05Å; T20-N23 VanDerWaalsContact O-N 3.09Å; T20-V24 PolarHBondContact O-N 2.84Å
21	M	51.1	Low	67.9	Low	149 Å²	149	81.7 Å²	81.7	73%	0.734	43%	0.431	S	S	*	.	H	α-helix	trans	-63.7	-30.9	173.6	-66.3	-71.9	-79.7	0	0	112.6	L17 N23	L17-M21 WeakPolarHBondContact O-CB 2.98Å; L17-M21 WeakPolarHBondContact O-CG 3.23Å; L17-M21 PolarHBondContact O-N 3.3Å; M21-N23 VanDerWaalsContact C-N 3.27Å; M21-N23 PolarHBondContact O-N 3.06Å
22	K	52.3	Low	69	Low	153 Å²	153	79.5 Å²	79.5	67%	0.665	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.7	174.8	-80.7	179.5	174.6	-177.3	0	114.4	C18 L19 T20	C18-K22 WeakPolarHBondContact O-CG 3.39Å; C18-K22 PolarHBondContact O-N 2.94Å; C18-K22 VanDerWaalsContact O-N 3.11Å; L19-K22 PolarHBondContact O-N 2.78Å; T20-K22 VanDerWaalsContact C-N 3.26Å; T20-K22 PolarHBondContact O-N 3.13Å
23	N	51.5	Low	69.8	Low	108 Å²	108	81.8 Å²	81.8	58%	0.578	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	3	-175.9	-88.6	-66.8	0	0	0	114.9	L19 T20 M21 Y25	L19-N23 PolarHBondContact O-N 3.26Å; L19-N23 PolarHBondContact O-ND2 2.75Å; T20-N23 PolarHBondContact O-N 3.05Å; T20-N23 VanDerWaalsContact O-N 3.09Å; M21-N23 VanDerWaalsContact C-N 3.27Å; M21-N23 PolarHBondContact O-N 3.06Å; N23-Y25 PolarHBondContact O-N 2.84Å; N23-Y25 VanDerWaalsContact O-N 3.12Å
24	V	55.8	Low	70.8	Confident	107 Å²	107	80.8 Å²	80.8	65%	0.648	43%	0.425	S	S	*	.			trans	-87.9	71.9	169.7	-174.4	0	0	0	0	108.7	T20 S26	T20-V24 PolarHBondContact O-N 2.84Å; V24-S26 VanDerWaalsContact C-N 3.35Å; V24-S26 PolarHBondContact O-N 2.83Å
25	Y	57.3	Low	71.8	Confident	121 Å²	121	77.2 Å²	77.2	48%	0.475	41%	0.407	S	S	.	.			trans	-66.7	94.3	168	-62	-75.5	0	0	0	108.7	N23	N23-Y25 PolarHBondContact O-N 2.84Å; N23-Y25 VanDerWaalsContact O-N 3.12Å
26	S	71	Confident	72.5	Confident	70 Å²	70	77.2 Å²	77.2	49%	0.49	41%	0.407	S	S	.	.			trans	-139.5	35.9	168.8	64.3	0	0	0	0	111.6	V24	V24-S26 VanDerWaalsContact C-N 3.35Å; V24-S26 PolarHBondContact O-N 2.83Å
27	I	87.3	Confident	73.4	Confident	21 Å²	21	76.6 Å²	76.6	11%	0.108	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	147.3	174.5	79	-179.1	0	0	0	108.9	G47 C48 D88	I27-G47 PolarHBondContact O-N 2.86Å; I27-C48 HydrophobicContact CD1-CB 4.34Å; I27-C48 HydrophobicContact CG1-CB 3.68Å; I27-C48 WeakPolarHBondContact CG1-O 3.25Å; I27-C48 PolarHBondContact N-O 3.08Å; I27-C48 WeakPolarHBondContact O-CB 3.14Å; I27-C48 PolarHBondContact O-N 2.73Å; I27-C48 VanDerWaalsContact O-N 3.16Å; I27-D88 VanDerWaalsContact CA-OD1 3.27Å; I27-D88 WeakPolarHBondContact CA-OD1 3.48Å
28	T	90.6	Very high	74.3	Confident	26 Å²	26	74 Å²	74	16%	0.16	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.2	175.8	-52.3	0	0	0	0	109.5	E45 D88 Y89	T28-E45 CarbonylContact C-O 3.46Å; T28-E45 VanDerWaalsContact CA-O 3.3Å; T28-E45 WeakPolarHBondContact CA-O 3.22Å; T28-D88 PolarHBondContact N-OD1 2.93Å; T28-D88 CarbonylContact O-C 3.58Å; T28-D88 WeakPolarHBondContact O-CA 3.27Å; T28-Y89 HydrophobicContact CG2-CD1 4.48Å; T28-Y89 HydrophobicContact CG2-CE1 3.57Å; T28-Y89 WeakPolarHBondContact CG2-OH 3.09Å; T28-Y89 PolarHBondContact O-N 2.81Å
29	C	92.5	Very high	75.3	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	150.5	-177.2	-59.3	0	0	0	0	111	T44 E45 C48 G50 C51 C65	C29-T44 VanDerWaalsContact O-CA 3.3Å; C29-T44 WeakPolarHBondContact O-CA 3.21Å; C29-E45 PolarHBondContact N-O 3.07Å; C29-E45 PolarHBondContact O-N 3.22Å; C29-C48 VanDerWaalsContact SG-CB 3.58Å; C29-G50 PolarHBondContact SG-O 2Å; C29-C51 WeakPolarHBondContact CA-SG 3.45Å; C29-C51 HydrophobicContact CB-CB 3.66Å; C29-C51 WeakPolarHBondContact CB-SG 3.5Å; C29-C51 WeakPolarHBondContact SG-CA 3.41Å; C29-C51 WeakPolarHBondContact SG-CB 3.32Å; C29-C51 CovalentContact SG-SG 2.02Å; C29-C51 PolarHBondContact SG-SG 3.19Å; C29-C65 HydrophobicContact CB-CB 4.41Å
30	Y	93.3	Very high	76.3	Confident	47 Å²	47	73.8 Å²	73.8	18%	0.184	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	140.6	162.7	-69.5	-64.5	0	0	0	110	V38 T42 S43 T44 R63 Y89 N91 H92	Y30-V38 HydrophobicContact CD1-CG1 3.75Å; Y30-V38 HydrophobicContact CD1-CG2 4.34Å; Y30-V38 HydrophobicContact CD2-CG1 4.44Å; Y30-V38 HydrophobicContact CD2-CG2 3.85Å; Y30-V38 HydrophobicContact CE1-CG1 3.58Å; Y30-V38 HydrophobicContact CE2-CG1 4.29Å; Y30-V38 HydrophobicContact CE2-CG2 4.21Å; Y30-V38 HydrophobicContact CG-CG1 4.19Å; Y30-V38 HydrophobicContact CG-CG2 3.91Å; Y30-T42 HydrophobicContact CD1-CG2 3.67Å; Y30-T42 HydrophobicContact CG-CG2 4Å; Y30-S43 CarbonylContact C-O 3.56Å; Y30-S43 WeakPolarHBondContact CA-O 2.95Å; Y30-T44 HydrophobicContact CD1-CG2 3.87Å; Y30-T44 HydrophobicContact CE1-CG2 3.94Å; Y30-R63 VanDerWaalsContact O-CB 3.28Å; Y30-R63 WeakPolarHBondContact O-CB 3.3Å; Y30-Y89 HydrophobicContact CD1-CD1 4.38Å; Y30-Y89 HydrophobicContact CD2-CD1 4.12Å; Y30-Y89 AromaticContact CE1-CD1 3.96Å; Y30-Y89 HydrophobicContact CE1-CD1 3.96Å; Y30-Y89 HydrophobicContact CE1-CE1 4.38Å; Y30-Y89 AromaticContact CE2-CD1 3.66Å; Y30-Y89 HydrophobicContact CE2-CD1 3.66Å; Y30-Y89 HydrophobicContact CE2-CG 4.02Å; Y30-Y89 HydrophobicContact CG-CD1 4.46Å; Y30-Y89 AromaticContact CZ-CD1 3.57Å; Y30-N91 WeakPolarHBondContact CB-OD1 3.47Å; Y30-N91 WeakPolarHBondContact CD2-OD1 3.4Å; Y30-N91 PolarHBondContact N-OD1 3.17Å; Y30-N91 PolarHBondContact O-ND2 3.05Å; Y30-H92 HydrophobicContact CD2-CB 3.97Å; Y30-H92 AromaticContact CD2-ND1 3.96Å; Y30-H92 HydrophobicContact CE2-CB 3.64Å; Y30-H92 AromaticContact CE2-CG 3.78Å; Y30-H92 AromaticContact CE2-ND1 3.25Å; Y30-H92 VanDerWaalsContact CE2-ND1 3.25Å; Y30-H92 WeakPolarHBondContact CE2-ND1 3.31Å; Y30-H92 AromaticContact CZ-ND1 3.66Å
31	V	93	Very high	77.7	Confident	29 Å²	29	74.7 Å²	74.7	18%	0.176	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127.8	178.5	-177.5	0	0	0	0	109	S43 E45 R63 C65	V31-S43 PolarHBondContact N-O 3.03Å; V31-S43 PolarHBondContact O-N 3.04Å; V31-S43 PolarHBondContact O-OG 3.48Å; V31-E45 HydrophobicContact CG2-CB 3.62Å; V31-R63 WeakPolarHBondContact CA-O 3.28Å; V31-C65 HydrophobicContact CG2-CB 4.26Å
32	C	91.2	Very high	79.5	Confident	10 Å²	10	68.6 Å²	68.6	7%	0.068	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-167.8	148.1	174.5	46.6	0	0	0	0	110.7	C35 T42 R63	C32-C35 HydrophobicContact CB-CB 3.52Å; C32-C35 WeakPolarHBondContact CB-SG 3.19Å; C32-C35 WeakPolarHBondContact SG-CB 3.28Å; C32-C35 CovalentContact SG-SG 1.99Å; C32-C35 PolarHBondContact SG-SG 3.36Å; C32-T42 HydrophobicContact CB-CG2 4.2Å; C32-R63 PolarHBondContact N-O 2Å; C32-R63 PolarHBondContact O-N 3.4Å
33	E	85.7	Confident	81.4	Confident	150 Å²	150	64.6 Å²	64.6	70%	0.701	38%	0.382	S	S	*	.	S	Bend	trans	-101.5	123.1	170.9	-58.3	-153	131.7	0	0	108.7	K62	E33-K62 WeakPolarHBondContact OE1-CE 3.12Å; E33-K62 IonicContact OE1-NZ 2.82Å; E33-K62 PolarHBondContact OE1-NZ 2.91Å
34	N	84.6	Confident	83.4	Confident	116 Å²	116	63.3 Å²	63.3	62%	0.62	38%	0.378	S	S	*	.	S	Bend	trans	60.9	52.8	177.4	-163.2	25.1	0	0	0	115.8	Y60 V61	N34-Y60 WeakPolarHBondContact OD1-CB 3.43Å; N34-V61 CarbonylContact C-O 3.56Å; N34-V61 WeakPolarHBondContact CA-O 3.03Å; N34-V61 PolarHBondContact N-O 3.28Å
35	C	84.4	Confident	85.1	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.034	37%	0.369	C	S	.	.			trans	-115.9	102.7	-175.8	46	0	0	0	0	111.2	C32 S37 V61 R63	C32-C35 HydrophobicContact CB-CB 3.52Å; C32-C35 WeakPolarHBondContact CB-SG 3.19Å; C32-C35 WeakPolarHBondContact SG-CB 3.28Å; C32-C35 CovalentContact SG-SG 1.99Å; C32-C35 PolarHBondContact SG-SG 3.36Å; C35-S37 PolarHBondContact O-N 3.16Å; C35-V61 PolarHBondContact N-O 3.3Å; C35-V61 WeakPolarHBondContact O-CB 3.34Å; C35-V61 PolarHBondContact SG-O 2.76Å; C35-R63 PolarHBondContact O-NH1 2.67Å; C35-R63 PolarHBondContact SG-NH1 3.42Å
36	L	81.7	Confident	86.7	Confident	99 Å²	99	61.3 Å²	61.3	52%	0.518	38%	0.376	S	S	.	.	S	Bend	trans	-57.7	-37.2	-178.6	-69.5	175.4	0	0	0	113	I59	L36-I59 WeakPolarHBondContact CD2-O 3.31Å
37	S	82.3	Confident	87.5	Confident	64 Å²	64	60.4 Å²	60.4	45%	0.448	38%	0.378	S	S	.	.	S	Bend	trans	-128.5	168.2	177.5	42.4	0	0	0	0	110.2	C35	C35-S37 PolarHBondContact O-N 3.16Å
38	V	81.2	Confident	87.5	Confident	35 Å²	35	59.5 Å²	59.5	21%	0.212	37%	0.373	C	S	.	.			trans	-78.6	118.5	162.1	175.1	0	0	0	0	106.6	Y30 T42 H92	Y30-V38 HydrophobicContact CD1-CG1 3.75Å; Y30-V38 HydrophobicContact CD1-CG2 4.34Å; Y30-V38 HydrophobicContact CD2-CG1 4.44Å; Y30-V38 HydrophobicContact CD2-CG2 3.85Å; Y30-V38 HydrophobicContact CE1-CG1 3.58Å; Y30-V38 HydrophobicContact CE2-CG1 4.29Å; Y30-V38 HydrophobicContact CE2-CG2 4.21Å; Y30-V38 HydrophobicContact CG-CG1 4.19Å; Y30-V38 HydrophobicContact CG-CG2 3.91Å; V38-T42 HydrophobicContact CG1-CG2 4.06Å; V38-T42 HydrophobicContact CG2-CG2 4.4Å; V38-H92 WeakPolarHBondContact CB-ND1 3.37Å; V38-H92 VanDerWaalsContact CG2-ND1 3.32Å; V38-H92 WeakPolarHBondContact CG2-ND1 3.34Å
39	D	82.7	Confident	87.4	Confident	75 Å²	75	58.5 Å²	58.5	40%	0.401	37%	0.368	S	S	.	.			trans	-139.2	-172.3	-179.7	60.4	25.7	0	0	0	109.7	S41 T42	D39-S41 PolarHBondContact O-N 3.32Å; D39-S41 WeakPolarHBondContact OD1-CA 3.27Å; D39-S41 WeakPolarHBondContact OD1-CB 3.47Å; D39-S41 PolarHBondContact OD1-N 2.8Å; D39-S41 PolarHBondContact OD1-OG 3.46Å; D39-T42 PolarHBondContact N-OG1 2.92Å; D39-T42 VanDerWaalsContact O-CB 3.3Å; D39-T42 WeakPolarHBondContact O-CB 2.98Å; D39-T42 PolarHBondContact O-N 2.02Å; D39-T42 PolarHBondContact O-OG1 2.85Å
40	G	80.4	Confident	87.2	Confident	93 Å²	93	58.5 Å²	58.5	96%	0.959	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-11.3	-179.6	0	0	0	0	0	115.2
41	S	81.7	Confident	87	Confident	90 Å²	90	56.3 Å²	56.3	63%	0.629	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.2	173.5	75.4	0	0	0	0	113.4	D39	D39-S41 PolarHBondContact O-N 3.32Å; D39-S41 WeakPolarHBondContact OD1-CA 3.27Å; D39-S41 WeakPolarHBondContact OD1-CB 3.47Å; D39-S41 PolarHBondContact OD1-N 2.8Å; D39-S41 PolarHBondContact OD1-OG 3.46Å
42	T	88.5	Confident	86.9	Confident	21 Å²	21	54.9 Å²	54.9	13%	0.129	35%	0.351	C	S	.	.			trans	-86.4	122.3	-178.2	-53.4	0	0	0	0	110.5	Y30 C32 V38 D39	Y30-T42 HydrophobicContact CD1-CG2 3.67Å; Y30-T42 HydrophobicContact CG-CG2 4Å; C32-T42 HydrophobicContact CB-CG2 4.2Å; V38-T42 HydrophobicContact CG1-CG2 4.06Å; V38-T42 HydrophobicContact CG2-CG2 4.4Å; D39-T42 PolarHBondContact N-OG1 2.92Å; D39-T42 VanDerWaalsContact O-CB 3.3Å; D39-T42 WeakPolarHBondContact O-CB 2.98Å; D39-T42 PolarHBondContact O-N 2.02Å; D39-T42 PolarHBondContact O-OG1 2.85Å
43	S	92.7	Very high	86.6	Confident	70 Å²	70	56.8 Å²	56.8	49%	0.49	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	169.5	172.7	59.8	0	0	0	0	111.2	Y30 V31	Y30-S43 CarbonylContact C-O 3.56Å; Y30-S43 WeakPolarHBondContact CA-O 2.95Å; V31-S43 PolarHBondContact N-O 3.03Å; V31-S43 PolarHBondContact O-N 3.04Å; V31-S43 PolarHBondContact O-OG 3.48Å
44	T	93.1	Very high	86.7	Confident	81 Å²	81	50 Å²	50	50%	0.497	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138	175.2	55	0	0	0	0	109.9	C29 Y30 Y89	C29-T44 VanDerWaalsContact O-CA 3.3Å; C29-T44 WeakPolarHBondContact O-CA 3.21Å; Y30-T44 HydrophobicContact CD1-CG2 3.87Å; Y30-T44 HydrophobicContact CE1-CG2 3.94Å; T44-Y89 HydrophobicContact CG2-CE1 3.82Å
45	E	92.7	Very high	86.5	Confident	98 Å²	98	45.1 Å²	45.1	46%	0.458	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.5	178.2	-171.6	174.2	173.4	0	0	109.5	T28 C29 V31 C48 C65	T28-E45 CarbonylContact C-O 3.46Å; T28-E45 VanDerWaalsContact CA-O 3.3Å; T28-E45 WeakPolarHBondContact CA-O 3.22Å; C29-E45 PolarHBondContact N-O 3.07Å; C29-E45 PolarHBondContact O-N 3.22Å; V31-E45 HydrophobicContact CG2-CB 3.62Å; E45-C48 PolarHBondContact O-SG 3.18Å; E45-C65 HydrophobicContact CB-CB 3.97Å; E45-C65 VanDerWaalsContact CD-CB 3.47Å; E45-C65 HydrophobicContact CG-CB 3.89Å; E45-C65 VanDerWaalsContact OE2-CB 3.31Å; E45-C65 WeakPolarHBondContact OE2-CB 2.97Å
46	S	89.9	Confident	86.1	Confident	88 Å²	88	47.1 Å²	47.1	62%	0.615	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	161.2	-179.8	59.3	0	0	0	0	111.3
47	G	87.5	Confident	85.6	Confident	51 Å²	51	49.8 Å²	49.8	53%	0.526	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.7	19.1	-179.2	0	0	0	0	0	113.1	I27	I27-G47 PolarHBondContact O-N 2.86Å
48	C	88	Confident	85.1	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.007	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	155.1	177.4	-45.4	0	0	0	0	110.2	I27 C29 E45 C65	I27-C48 HydrophobicContact CD1-CB 4.34Å; I27-C48 HydrophobicContact CG1-CB 3.68Å; I27-C48 WeakPolarHBondContact CG1-O 3.25Å; I27-C48 PolarHBondContact N-O 3.08Å; I27-C48 WeakPolarHBondContact O-CB 3.14Å; I27-C48 PolarHBondContact O-N 2.73Å; I27-C48 VanDerWaalsContact O-N 3.16Å; C29-C48 VanDerWaalsContact SG-CB 3.58Å; E45-C48 PolarHBondContact O-SG 3.18Å; C48-C65 WeakPolarHBondContact CA-SG 2.96Å; C48-C65 HydrophobicContact CB-CB 4.11Å; C48-C65 WeakPolarHBondContact CB-SG 3.48Å; C48-C65 WeakPolarHBondContact SG-CB 3.41Å; C48-C65 CovalentContact SG-SG 2Å; C48-C65 PolarHBondContact SG-SG 3.47Å
49	G	87.4	Confident	84.8	Confident	6 Å²	6	53.5 Å²	53.5	6%	0.062	35%	0.349	C	S	.	.	S	Bend	trans	-99.1	-14	161.9	0	0	0	0	0	113.7	V66 A67	G49-V66 CarbonylContact C-O 3.52Å; G49-V66 PolarHBondContact N-O 3.15Å; G49-A67 WeakPolarHBondContact CA-O 3.09Å
50	G	88.6	Confident	84.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	152.3	171.8	0	0	0	0	0	112.4	C29 V66 C85	C29-G50 PolarHBondContact SG-O 2Å; G50-V66 PolarHBondContact N-O 2.97Å; G50-V66 WeakPolarHBondContact O-CG2 2.99Å; G50-V66 PolarHBondContact O-N 3.11Å; G50-C85 WeakPolarHBondContact CA-O 3.48Å
51	C	90.3	Very high	84.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.8	168.1	-50.2	0	0	0	0	109	C29 C84 C85 C90 N91	C29-C51 WeakPolarHBondContact CA-SG 3.45Å; C29-C51 HydrophobicContact CB-CB 3.66Å; C29-C51 WeakPolarHBondContact CB-SG 3.5Å; C29-C51 WeakPolarHBondContact SG-CA 3.41Å; C29-C51 WeakPolarHBondContact SG-CB 3.32Å; C29-C51 CovalentContact SG-SG 2.02Å; C29-C51 PolarHBondContact SG-SG 3.19Å; C51-C84 WeakPolarHBondContact O-CA 3.25Å; C51-C85 PolarHBondContact N-O 3.21Å; C51-C85 PolarHBondContact O-N 3.16Å; C51-C90 VanDerWaalsContact CB-SG 3.55Å; C51-N91 HydrophobicContact CB-CB 3.88Å
52	I	89.5	Confident	84.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	145	177.2	-69.9	-167.5	0	0	0	110.7	T54 R63 Q64 V66 I72 L82 S83 C84 N91	I52-T54 HydrophobicContact CG2-CG2 3.74Å; I52-R63 VanDerWaalsContact O-CA 3.28Å; I52-R63 WeakPolarHBondContact O-CA 3.48Å; I52-Q64 PolarHBondContact N-O 3.49Å; I52-Q64 PolarHBondContact O-N 3.12Å; I52-V66 HydrophobicContact CB-CG1 4.22Å; I52-V66 HydrophobicContact CD1-CB 4.32Å; I52-V66 HydrophobicContact CD1-CG1 3.66Å; I52-V66 HydrophobicContact CD1-CG2 3.88Å; I52-V66 HydrophobicContact CG1-CB 4.5Å; I52-V66 HydrophobicContact CG1-CG1 3.82Å; I52-V66 HydrophobicContact CG1-CG2 3.83Å; I52-I72 HydrophobicContact CD1-CB 3.49Å; I52-I72 VanDerWaalsContact CD1-CB 3.49Å; I52-I72 HydrophobicContact CD1-CD1 3.29Å; I52-I72 HydrophobicContact CD1-CG1 3.95Å; I52-I72 HydrophobicContact CD1-CG2 3.48Å; I52-I72 VanDerWaalsContact CD1-CG2 3.48Å; I52-L82 HydrophobicContact CD1-CD1 4.18Å; I52-L82 HydrophobicContact CG2-CD1 3.46Å; I52-L82 VanDerWaalsContact CG2-CD1 3.46Å; I52-S83 WeakPolarHBondContact CA-O 3.45Å; I52-C84 HydrophobicContact CG1-CB 4.07Å; I52-C84 WeakPolarHBondContact CG1-SG 3.36Å; I52-N91 PolarHBondContact O-ND2 3.48Å
53	R	86.7	Confident	84.7	Confident	49 Å²	49	47.7 Å²	47.7	19%	0.185	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	119.3	166	-175.1	-178.4	174.9	177.4	3.9	108.6	V61 K62 R63 S83 N91	R53-V61 HydrophobicContact CG-CG1 3.52Å; R53-K62 CarbonylContact C-O 3.42Å; R53-K62 WeakPolarHBondContact CA-O 2.96Å; R53-R63 HydrophobicContact CG-CG 4.49Å; R53-S83 PolarHBondContact N-O 3.39Å; R53-S83 PolarHBondContact O-N 2.98Å; R53-N91 HydrophobicContact CB-CB 4.22Å
54	T	86.2	Confident	84.6	Confident	9 Å²	9	47.5 Å²	47.5	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	154.5	173	53.4	0	0	0	0	111.8	I52 V61 K62 F76 L81 L82	I52-T54 HydrophobicContact CG2-CG2 3.74Å; T54-V61 CarbonylContact O-C 3.56Å; T54-V61 VanDerWaalsContact O-CA 3.23Å; T54-V61 WeakPolarHBondContact O-CA 3.47Å; T54-K62 PolarHBondContact N-O 3.45Å; T54-K62 PolarHBondContact O-N 3.48Å; T54-F76 HydrophobicContact CG2-CD1 4.45Å; T54-F76 HydrophobicContact CG2-CD2 4.08Å; T54-F76 HydrophobicContact CG2-CE1 3.99Å; T54-F76 HydrophobicContact CG2-CE2 3.58Å; T54-F76 HydrophobicContact CG2-CG 4.49Å; T54-F76 HydrophobicContact CG2-CZ 3.54Å; T54-L81 CarbonylContact C-O 3.59Å; T54-L81 WeakPolarHBondContact CA-O 3.4Å; T54-L82 HydrophobicContact CG2-CB 4.23Å; T54-L82 HydrophobicContact CG2-CD1 3.24Å; T54-L82 HydrophobicContact CG2-CG 4.33Å
55	G	80.6	Confident	84.5	Confident	12 Å²	12	45 Å²	45	12%	0.124	26%	0.256	C	S	.	.	S	Bend	trans	128.9	175.4	166	0	0	0	0	0	114.4	Y60 L81	G55-Y60 CarbonylContact C-O 3.58Å; G55-Y60 VanDerWaalsContact CA-CE2 3.42Å; G55-Y60 WeakPolarHBondContact CA-O 3.41Å; G55-L81 PolarHBondContact N-O 3.11Å; G55-L81 VanDerWaalsContact N-O 3.08Å
56	V	76	Confident	84.4	Confident	48 Å²	48	41 Å²	41	29%	0.291	24%	0.239	S	C	.	.			trans	-91.1	125.1	-175	-175.8	0	0	0	0	109.6	G58 I59 Y60 L81	V56-G58 PolarHBondContact O-N 2.89Å; V56-I59 HydrophobicContact CB-CB 4.17Å; V56-I59 HydrophobicContact CB-CD1 4.03Å; V56-I59 HydrophobicContact CB-CG1 4.21Å; V56-I59 HydrophobicContact CG1-CB 4.47Å; V56-I59 HydrophobicContact CG1-CD1 3.61Å; V56-I59 HydrophobicContact CG1-CG1 3.96Å; V56-I59 PolarHBondContact O-N 2.84Å; V56-Y60 HydrophobicContact CB-CE1 4.23Å; V56-Y60 HydrophobicContact CG2-CE1 3.84Å; V56-Y60 PolarHBondContact N-O 3.3Å; V56-Y60 VanDerWaalsContact N-O 3.07Å; V56-Y60 PolarHBondContact O-N 2.02Å; V56-Y60 VanDerWaalsContact O-O 3.1Å; V56-L81 HydrophobicContact CG2-CD1 3.98Å; V56-L81 HydrophobicContact CG2-CD2 4.06Å
57	K	71.4	Confident	84.2	Confident	154 Å²	154	40.2 Å²	40.2	67%	0.67	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	116.9	179.2	-176.1	-177.4	176.9	-173.2	0	110.5
58	G	71.5	Confident	84.1	Confident	63 Å²	63	41 Å²	41	65%	0.649	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.6	-2.7	177.2	0	0	0	0	0	115.7	V56	V56-G58 PolarHBondContact O-N 2.89Å
59	I	75.6	Confident	83.9	Confident	114 Å²	114	42.6 Å²	42.6	59%	0.585	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112	-60.4	179.4	-51.5	-176.2	0	0	0	110.7	L36 V56	L36-I59 WeakPolarHBondContact CD2-O 3.31Å; V56-I59 HydrophobicContact CB-CB 4.17Å; V56-I59 HydrophobicContact CB-CD1 4.03Å; V56-I59 HydrophobicContact CB-CG1 4.21Å; V56-I59 HydrophobicContact CG1-CB 4.47Å; V56-I59 HydrophobicContact CG1-CD1 3.61Å; V56-I59 HydrophobicContact CG1-CG1 3.96Å; V56-I59 PolarHBondContact O-N 2.84Å
60	Y	70.9	Confident	83.6	Confident	92 Å²	92	46.8 Å²	46.8	36%	0.361	27%	0.268	S	S	.	.			trans	-152.1	147.4	177.8	70.4	-87.7	0	0	0	108.7	N34 G55 V56	N34-Y60 WeakPolarHBondContact OD1-CB 3.43Å; G55-Y60 CarbonylContact C-O 3.58Å; G55-Y60 VanDerWaalsContact CA-CE2 3.42Å; G55-Y60 WeakPolarHBondContact CA-O 3.41Å; V56-Y60 HydrophobicContact CB-CE1 4.23Å; V56-Y60 HydrophobicContact CG2-CE1 3.84Å; V56-Y60 PolarHBondContact N-O 3.3Å; V56-Y60 VanDerWaalsContact N-O 3.07Å; V56-Y60 PolarHBondContact O-N 2.02Å; V56-Y60 VanDerWaalsContact O-O 3.1Å
61	V	81	Confident	83	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.03	29%	0.292	C	S	.	.			trans	-134.7	132.6	169.4	175	0	0	0	0	107.3	N34 C35 R53 T54 R63	N34-V61 CarbonylContact C-O 3.56Å; N34-V61 WeakPolarHBondContact CA-O 3.03Å; N34-V61 PolarHBondContact N-O 3.28Å; C35-V61 PolarHBondContact N-O 3.3Å; C35-V61 WeakPolarHBondContact O-CB 3.34Å; C35-V61 PolarHBondContact SG-O 2.76Å; R53-V61 HydrophobicContact CG-CG1 3.52Å; T54-V61 CarbonylContact O-C 3.56Å; T54-V61 VanDerWaalsContact O-CA 3.23Å; T54-V61 WeakPolarHBondContact O-CA 3.47Å; V61-R63 HydrophobicContact CG1-CG 4.19Å
62	K	88	Confident	82.3	Confident	58 Å²	58	53.2 Å²	53.2	25%	0.252	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.5	170.8	-177.5	176	-157.1	174.9	0	108.2	E33 R53 T54 Q64	E33-K62 WeakPolarHBondContact OE1-CE 3.12Å; E33-K62 IonicContact OE1-NZ 2.82Å; E33-K62 PolarHBondContact OE1-NZ 2.91Å; R53-K62 CarbonylContact C-O 3.42Å; R53-K62 WeakPolarHBondContact CA-O 2.96Å; T54-K62 PolarHBondContact N-O 3.45Å; T54-K62 PolarHBondContact O-N 3.48Å; K62-Q64 HydrophobicContact CD-CG 4.21Å; K62-Q64 HydrophobicContact CG-CG 3.98Å
63	R	90.4	Very high	81.2	Confident	2 Å²	2	55 Å²	55	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.4	176.4	-64.5	-175.7	-179.9	75.5	-2.6	109.2	Y30 V31 C32 C35 I52 R53 V61 N91 H92	Y30-R63 VanDerWaalsContact O-CB 3.28Å; Y30-R63 WeakPolarHBondContact O-CB 3.3Å; V31-R63 WeakPolarHBondContact CA-O 3.28Å; C32-R63 PolarHBondContact N-O 2Å; C32-R63 PolarHBondContact O-N 3.4Å; C35-R63 PolarHBondContact O-NH1 2.67Å; C35-R63 PolarHBondContact SG-NH1 3.42Å; I52-R63 VanDerWaalsContact O-CA 3.28Å; I52-R63 WeakPolarHBondContact O-CA 3.48Å; R53-R63 HydrophobicContact CG-CG 4.49Å; V61-R63 HydrophobicContact CG1-CG 4.19Å; R63-N91 WeakPolarHBondContact CD-O 3.43Å; R63-N91 PolarHBondContact NE-O 3.42Å; R63-H92 PolarHBondContact NH2-O 3.46Å
64	Q	91.1	Very high	80.3	Confident	66 Å²	66	56.7 Å²	56.7	31%	0.308	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	148.1	-174.5	-63.9	-176.7	-75.1	0	0	112.1	I52 K62 V66	I52-Q64 PolarHBondContact N-O 3.49Å; I52-Q64 PolarHBondContact O-N 3.12Å; K62-Q64 HydrophobicContact CD-CG 4.21Å; K62-Q64 HydrophobicContact CG-CG 3.98Å; Q64-V66 HydrophobicContact CB-CG1 4.4Å
65	C	91.4	Very high	79.4	Confident	29 Å²	29	62.9 Å²	62.9	20%	0.196	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	134.9	164.9	178.2	0	0	0	0	109.7	C29 V31 E45 C48	C29-C65 HydrophobicContact CB-CB 4.41Å; V31-C65 HydrophobicContact CG2-CB 4.26Å; E45-C65 HydrophobicContact CB-CB 3.97Å; E45-C65 VanDerWaalsContact CD-CB 3.47Å; E45-C65 HydrophobicContact CG-CB 3.89Å; E45-C65 VanDerWaalsContact OE2-CB 3.31Å; E45-C65 WeakPolarHBondContact OE2-CB 2.97Å; C48-C65 WeakPolarHBondContact CA-SG 2.96Å; C48-C65 HydrophobicContact CB-CB 4.11Å; C48-C65 WeakPolarHBondContact CB-SG 3.48Å; C48-C65 WeakPolarHBondContact SG-CB 3.41Å; C48-C65 CovalentContact SG-SG 2Å; C48-C65 PolarHBondContact SG-SG 3.47Å
66	V	89.4	Confident	78.8	Confident	15 Å²	15	64.9 Å²	64.9	9%	0.091	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.9	-177.6	-50.7	0	0	0	0	110.7	G49 G50 I52 Q64 I72	G49-V66 CarbonylContact C-O 3.52Å; G49-V66 PolarHBondContact N-O 3.15Å; G50-V66 PolarHBondContact N-O 2.97Å; G50-V66 WeakPolarHBondContact O-CG2 2.99Å; G50-V66 PolarHBondContact O-N 3.11Å; I52-V66 HydrophobicContact CB-CG1 4.22Å; I52-V66 HydrophobicContact CD1-CB 4.32Å; I52-V66 HydrophobicContact CD1-CG1 3.66Å; I52-V66 HydrophobicContact CD1-CG2 3.88Å; I52-V66 HydrophobicContact CG1-CB 4.5Å; I52-V66 HydrophobicContact CG1-CG1 3.82Å; I52-V66 HydrophobicContact CG1-CG2 3.83Å; Q64-V66 HydrophobicContact CB-CG1 4.4Å; V66-I72 HydrophobicContact CB-CD1 3.66Å; V66-I72 HydrophobicContact CG1-CD1 3.16Å; V66-I72 HydrophobicContact CG2-CD1 4.26Å
67	A	87	Confident	78.3	Confident	70 Å²	70	68.3 Å²	68.3	58%	0.579	40%	0.403	S	S	*	.	S	Bend	trans	-68.8	-47.2	177.1	0	0	0	0	0	111.2	G49	G49-A67 WeakPolarHBondContact CA-O 3.09Å
68	N	85.2	Confident	78.2	Confident	69 Å²	69	64.1 Å²	64.1	37%	0.369	39%	0.39	S	S	.	.			trans	-141.4	142.1	177.3	-72.1	-45.9	0	0	0	110.9	S70	N68-S70 PolarHBondContact O-N 3.11Å
69	C	83.5	Confident	78	Confident	34 Å²	34	68.5 Å²	68.5	23%	0.23	39%	0.391	C	S	.	.	H	α-helix	trans	-62	-29.6	175.1	-73.2	0	0	0	0	113.6	D71 C84	C69-D71 PolarHBondContact O-N 2.99Å; C69-C84 WeakPolarHBondContact CA-SG 3.44Å; C69-C84 HydrophobicContact CB-CB 3.66Å; C69-C84 WeakPolarHBondContact CB-SG 3.36Å; C69-C84 WeakPolarHBondContact SG-CB 3.18Å; C69-C84 CovalentContact SG-SG 2.02Å; C69-C84 PolarHBondContact SG-SG 3.38Å
70	S	82	Confident	77.6	Confident	93 Å²	93	69.9 Å²	69.9	65%	0.65	40%	0.4	S	S	*	.	H	α-helix	trans	-67.5	-34	-174.7	-55.7	0	0	0	0	113.3	N68 I72	N68-S70 PolarHBondContact O-N 3.11Å; S70-I72 PolarHBondContact O-N 2.88Å
71	D	75.6	Confident	77.9	Confident	92 Å²	92	68 Å²	68	49%	0.492	40%	0.395	S	S	.	.	H	α-helix	trans	-68.6	-26.7	-172.6	-60.7	-21.3	0	0	0	112.3	C69 N75	C69-D71 PolarHBondContact O-N 2.99Å; D71-N75 PolarHBondContact O-ND2 3.46Å
72	I	74.9	Confident	77.9	Confident	43 Å²	43	68.8 Å²	68.8	22%	0.221	40%	0.4	C	S	.	.	H	α-helix	trans	-96.6	-30.1	-174.1	-68.8	164	0	0	0	111.6	I52 V66 S70 A74 N75 F76 L82	I52-I72 HydrophobicContact CD1-CB 3.49Å; I52-I72 VanDerWaalsContact CD1-CB 3.49Å; I52-I72 HydrophobicContact CD1-CD1 3.29Å; I52-I72 HydrophobicContact CD1-CG1 3.95Å; I52-I72 HydrophobicContact CD1-CG2 3.48Å; I52-I72 VanDerWaalsContact CD1-CG2 3.48Å; V66-I72 HydrophobicContact CB-CD1 3.66Å; V66-I72 HydrophobicContact CG1-CD1 3.16Å; V66-I72 HydrophobicContact CG2-CD1 4.26Å; S70-I72 PolarHBondContact O-N 2.88Å; I72-A74 PolarHBondContact O-N 2.9Å; I72-N75 PolarHBondContact O-N 3.09Å; I72-N75 VanDerWaalsContact O-N 3.11Å; I72-F76 PolarHBondContact O-N 3.34Å; I72-F76 VanDerWaalsContact O-N 3.16Å; I72-L82 HydrophobicContact CG2-CD1 4.11Å; I72-L82 HydrophobicContact CG2-CD2 4.37Å
73	A	67	Low	77.8	Confident	39 Å²	39	67.2 Å²	67.2	32%	0.322	40%	0.396	S	S	.	.	H	α-helix	trans	-61.3	-25.7	174	0	0	0	0	0	113.1	L82	A73-L82 HydrophobicContact CB-CD2 4.08Å
74	A	67	Low	77.6	Confident	83 Å²	83	69.1 Å²	69.1	69%	0.686	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-32.3	175.9	0	0	0	0	0	113.1	I72	I72-A74 PolarHBondContact O-N 2.9Å
75	N	67.1	Low	77.4	Confident	140 Å²	140	67.5 Å²	67.5	75%	0.749	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-7.2	-172	-69.1	-30.3	0	0	0	113.8	D71 I72	D71-N75 PolarHBondContact O-ND2 3.46Å; I72-N75 PolarHBondContact O-N 3.09Å; I72-N75 VanDerWaalsContact O-N 3.11Å
76	F	68.7	Low	77.3	Confident	54 Å²	54	70.4 Å²	70.4	24%	0.237	42%	0.422	C	S	.	.			trans	-90.6	121.4	-176.5	-142.4	-98.6	0	0	0	111.4	T54 I72 V78 L81 L82	T54-F76 HydrophobicContact CG2-CD1 4.45Å; T54-F76 HydrophobicContact CG2-CD2 4.08Å; T54-F76 HydrophobicContact CG2-CE1 3.99Å; T54-F76 HydrophobicContact CG2-CE2 3.58Å; T54-F76 HydrophobicContact CG2-CG 4.49Å; T54-F76 HydrophobicContact CG2-CZ 3.54Å; I72-F76 PolarHBondContact O-N 3.34Å; I72-F76 VanDerWaalsContact O-N 3.16Å; F76-V78 WeakPolarHBondContact CD1-O 3.48Å; F76-V78 PolarHBondContact O-N 2.86Å; F76-L81 HydrophobicContact CE1-CB 4.19Å; F76-L82 HydrophobicContact CB-CD2 4.16Å; F76-L82 HydrophobicContact CD1-CB 4.15Å; F76-L82 HydrophobicContact CG-CB 4.47Å
77	P	66	Low	77.1	Confident	120 Å²	120	73.8 Å²	73.8	78%	0.779	44%	0.443	S	S	*	.	S	Bend	trans	-66.7	-23.3	-171.3	24.6	-33.7	0	0	0	113.4
78	V	68.1	Low	77.2	Confident	65 Å²	65	74.7 Å²	74.7	39%	0.394	44%	0.438	S	S	.	.			trans	-131.4	97.3	-178.3	-171.1	0	0	0	0	109.7	F76 D80 L81	F76-V78 WeakPolarHBondContact CD1-O 3.48Å; F76-V78 PolarHBondContact O-N 2.86Å; V78-D80 HydrophobicContact CG1-CB 4.35Å; V78-D80 PolarHBondContact O-N 3.41Å; V78-L81 HydrophobicContact CB-CB 4.44Å; V78-L81 HydrophobicContact CB-CD1 3.97Å; V78-L81 HydrophobicContact CB-CG 4.14Å; V78-L81 HydrophobicContact CG1-CB 4.45Å; V78-L81 HydrophobicContact CG1-CD1 4Å; V78-L81 HydrophobicContact CG1-CG 3.82Å; V78-L81 HydrophobicContact CG2-CD1 4.44Å; V78-L81 PolarHBondContact O-N 3.48Å
79	K	68.1	Low	77.4	Confident	155 Å²	155	76 Å²	76	67%	0.674	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-56.8	-32.3	-178.7	-66.3	-176.9	179.2	-179.8	0	112.9	L81 L82	K79-L81 PolarHBondContact O-N 3.45Å; K79-L82 PolarHBondContact O-N 3.31Å
80	D	67.7	Low	77.6	Confident	144 Å²	144	76 Å²	76	77%	0.77	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-68.5	-18.2	-179	-60.2	-24.7	0	0	0	113.5	V78	V78-D80 HydrophobicContact CG1-CB 4.35Å; V78-D80 PolarHBondContact O-N 3.41Å
81	L	75.7	Confident	78	Confident	51 Å²	51	71.7 Å²	71.7	27%	0.267	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-92.9	-1.7	175.5	-62.3	178.4	0	0	0	112.5	T54 G55 V56 F76 V78 K79	T54-L81 CarbonylContact C-O 3.59Å; T54-L81 WeakPolarHBondContact CA-O 3.4Å; G55-L81 PolarHBondContact N-O 3.11Å; G55-L81 VanDerWaalsContact N-O 3.08Å; V56-L81 HydrophobicContact CG2-CD1 3.98Å; V56-L81 HydrophobicContact CG2-CD2 4.06Å; F76-L81 HydrophobicContact CE1-CB 4.19Å; V78-L81 HydrophobicContact CB-CB 4.44Å; V78-L81 HydrophobicContact CB-CD1 3.97Å; V78-L81 HydrophobicContact CB-CG 4.14Å; V78-L81 HydrophobicContact CG1-CB 4.45Å; V78-L81 HydrophobicContact CG1-CD1 4Å; V78-L81 HydrophobicContact CG1-CG 3.82Å; V78-L81 HydrophobicContact CG2-CD1 4.44Å; V78-L81 PolarHBondContact O-N 3.48Å; K79-L81 PolarHBondContact O-N 3.45Å
82	L	82.9	Confident	78.4	Confident	23 Å²	23	71.2 Å²	71.2	12%	0.12	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.4	-178.1	175.6	69.4	0	0	0	110.3	I52 T54 I72 A73 F76 K79	I52-L82 HydrophobicContact CD1-CD1 4.18Å; I52-L82 HydrophobicContact CG2-CD1 3.46Å; I52-L82 VanDerWaalsContact CG2-CD1 3.46Å; T54-L82 HydrophobicContact CG2-CB 4.23Å; T54-L82 HydrophobicContact CG2-CD1 3.24Å; T54-L82 HydrophobicContact CG2-CG 4.33Å; I72-L82 HydrophobicContact CG2-CD1 4.11Å; I72-L82 HydrophobicContact CG2-CD2 4.37Å; A73-L82 HydrophobicContact CB-CD2 4.08Å; F76-L82 HydrophobicContact CB-CD2 4.16Å; F76-L82 HydrophobicContact CD1-CB 4.15Å; F76-L82 HydrophobicContact CG-CB 4.47Å; K79-L82 PolarHBondContact O-N 3.31Å
83	S	84.7	Confident	78	Confident	24 Å²	24	72.6 Å²	72.6	17%	0.168	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.4	168.5	-177.1	0	0	0	0	108.8	I52 R53	I52-S83 WeakPolarHBondContact CA-O 3.45Å; R53-S83 PolarHBondContact N-O 3.39Å; R53-S83 PolarHBondContact O-N 2.98Å
84	C	87.3	Confident	77.6	Confident	42 Å²	42	79.7 Å²	79.7	28%	0.284	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.1	172.8	-160	0	0	0	0	110.2	C51 I52 C69	C51-C84 WeakPolarHBondContact O-CA 3.25Å; I52-C84 HydrophobicContact CG1-CB 4.07Å; I52-C84 WeakPolarHBondContact CG1-SG 3.36Å; C69-C84 WeakPolarHBondContact CA-SG 3.44Å; C69-C84 HydrophobicContact CB-CB 3.66Å; C69-C84 WeakPolarHBondContact CB-SG 3.36Å; C69-C84 WeakPolarHBondContact SG-CB 3.18Å; C69-C84 CovalentContact SG-SG 2.02Å; C69-C84 PolarHBondContact SG-SG 3.38Å
85	C	86.9	Confident	76.6	Confident	33 Å²	33	82.1 Å²	82.1	22%	0.223	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	156.2	-180	51.8	0	0	0	0	109.9	G50 C51 C90	G50-C85 WeakPolarHBondContact CA-O 3.48Å; C51-C85 PolarHBondContact N-O 3.21Å; C51-C85 PolarHBondContact O-N 3.16Å; C85-C90 HydrophobicContact CB-CB 3.69Å; C85-C90 WeakPolarHBondContact CB-SG 3.33Å; C85-C90 PolarHBondContact O-SG 3.44Å; C85-C90 WeakPolarHBondContact SG-CB 3.41Å; C85-C90 CovalentContact SG-SG 2Å; C85-C90 PolarHBondContact SG-SG 2.94Å
86	T	87.6	Confident	75.7	Confident	90 Å²	90	81.4 Å²	81.4	55%	0.552	43%	0.427	S	S	*	.			trans	-122.1	36.1	-168.9	60.1	0	0	0	0	112
87	T	86	Confident	74.5	Confident	86 Å²	86	86 Å²	86	53%	0.528	45%	0.446	S	S	.	.	S	Bend	trans	-130.7	157.3	176.5	66.4	0	0	0	0	109.8	Y89 C90	T87-Y89 PolarHBondContact O-N 3.45Å; T87-C90 WeakPolarHBondContact O-CB 3.31Å; T87-C90 PolarHBondContact O-N 3.49Å; T87-C90 PolarHBondContact O-SG 2.85Å; T87-C90 WeakPolarHBondContact OG1-CB 3.46Å
88	D	88.7	Confident	73.3	Confident	89 Å²	89	84.3 Å²	84.3	48%	0.476	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	134.9	179.3	-64.4	-58.3	0	0	0	112.2	I27 T28 C90	I27-D88 VanDerWaalsContact CA-OD1 3.27Å; I27-D88 WeakPolarHBondContact CA-OD1 3.48Å; T28-D88 PolarHBondContact N-OD1 2.93Å; T28-D88 CarbonylContact O-C 3.58Å; T28-D88 WeakPolarHBondContact O-CA 3.27Å; D88-C90 PolarHBondContact O-N 2.98Å
89	Y	89.7	Confident	72.2	Confident	97 Å²	97	90.8 Å²	90.8	38%	0.38	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	18.9	174.1	-54.7	-65.6	0	0	0	114.5	T28 Y30 T44 T87 N91 H92	T28-Y89 HydrophobicContact CG2-CD1 4.48Å; T28-Y89 HydrophobicContact CG2-CE1 3.57Å; T28-Y89 WeakPolarHBondContact CG2-OH 3.09Å; T28-Y89 PolarHBondContact O-N 2.81Å; Y30-Y89 HydrophobicContact CD1-CD1 4.38Å; Y30-Y89 HydrophobicContact CD2-CD1 4.12Å; Y30-Y89 AromaticContact CE1-CD1 3.96Å; Y30-Y89 HydrophobicContact CE1-CD1 3.96Å; Y30-Y89 HydrophobicContact CE1-CE1 4.38Å; Y30-Y89 AromaticContact CE2-CD1 3.66Å; Y30-Y89 HydrophobicContact CE2-CD1 3.66Å; Y30-Y89 HydrophobicContact CE2-CG 4.02Å; Y30-Y89 HydrophobicContact CG-CD1 4.46Å; Y30-Y89 AromaticContact CZ-CD1 3.57Å; T44-Y89 HydrophobicContact CG2-CE1 3.82Å; T87-Y89 PolarHBondContact O-N 3.45Å; Y89-N91 PolarHBondContact O-N 3.36Å; Y89-N91 VanDerWaalsContact O-N 3.13Å; Y89-H92 VanDerWaalsContact O-CB 3.25Å; Y89-H92 WeakPolarHBondContact O-CB 3.39Å; Y89-H92 PolarHBondContact O-N 2.92Å
90	C	88.8	Confident	71.1	Confident	32 Å²	32	88.5 Å²	88.5	22%	0.216	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.6	-171.5	66.4	0	0	0	0	113.3	C51 C85 T87 D88 H92	C51-C90 VanDerWaalsContact CB-SG 3.55Å; C85-C90 HydrophobicContact CB-CB 3.69Å; C85-C90 WeakPolarHBondContact CB-SG 3.33Å; C85-C90 PolarHBondContact O-SG 3.44Å; C85-C90 WeakPolarHBondContact SG-CB 3.41Å; C85-C90 CovalentContact SG-SG 2Å; C85-C90 PolarHBondContact SG-SG 2.94Å; T87-C90 WeakPolarHBondContact O-CB 3.31Å; T87-C90 PolarHBondContact O-N 3.49Å; T87-C90 PolarHBondContact O-SG 2.85Å; T87-C90 WeakPolarHBondContact OG1-CB 3.46Å; D88-C90 PolarHBondContact O-N 2.98Å; C90-H92 PolarHBondContact O-N 3.24Å
91	N	89.2	Confident	70.2	Confident	4 Å²	4	86.2 Å²	86.2	2%	0.021	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	10.1	175.3	66.3	-13	0	0	0	114.1	Y30 C51 I52 R53 R63 Y89	Y30-N91 WeakPolarHBondContact CB-OD1 3.47Å; Y30-N91 WeakPolarHBondContact CD2-OD1 3.4Å; Y30-N91 PolarHBondContact N-OD1 3.17Å; Y30-N91 PolarHBondContact O-ND2 3.05Å; C51-N91 HydrophobicContact CB-CB 3.88Å; I52-N91 PolarHBondContact O-ND2 3.48Å; R53-N91 HydrophobicContact CB-CB 4.22Å; R63-N91 WeakPolarHBondContact CD-O 3.43Å; R63-N91 PolarHBondContact NE-O 3.42Å; Y89-N91 PolarHBondContact O-N 3.36Å; Y89-N91 VanDerWaalsContact O-N 3.13Å
92	H	84.4	Confident	68.7	Low	82 Å²	82	89.7 Å²	89.7	38%	0.38	46%	0.46	S	S	.	.	S	Bend	trans	-61.4	-57	178	-168.7	70.8	0	0	0	113.4	Y30 V38 R63 Y89 C90	Y30-H92 HydrophobicContact CD2-CB 3.97Å; Y30-H92 AromaticContact CD2-ND1 3.96Å; Y30-H92 HydrophobicContact CE2-CB 3.64Å; Y30-H92 AromaticContact CE2-CG 3.78Å; Y30-H92 AromaticContact CE2-ND1 3.25Å; Y30-H92 VanDerWaalsContact CE2-ND1 3.25Å; Y30-H92 WeakPolarHBondContact CE2-ND1 3.31Å; Y30-H92 AromaticContact CZ-ND1 3.66Å; V38-H92 WeakPolarHBondContact CB-ND1 3.37Å; V38-H92 VanDerWaalsContact CG2-ND1 3.32Å; V38-H92 WeakPolarHBondContact CG2-ND1 3.34Å; R63-H92 PolarHBondContact NH2-O 3.46Å; Y89-H92 VanDerWaalsContact O-CB 3.25Å; Y89-H92 WeakPolarHBondContact O-CB 3.39Å; Y89-H92 PolarHBondContact O-N 2.92Å; C90-H92 PolarHBondContact O-N 3.24Å
93	S	67.2	Low	67	Low	71 Å²	71	90.7 Å²	90.7	50%	0.497	48%	0.476	S	S	.	.	S	Bend	trans	-143.2	164.9	-159.5	51.8	0	0	0	0	113.8	Q95	S93-Q95 VanDerWaalsContact C-N 3.25Å; S93-Q95 PolarHBondContact O-N 2.85Å
94	R	57.2	Low	65.3	Low	189 Å²	189	95.2 Å²	95.2	71%	0.713	50%	0.498	S	S	*	.	S	Bend	trans	-62.4	48.4	-161.7	-58.3	-179	-178.3	-177.7	1.5	117.5
95	Q	47.1	Very low	63.8	Low	134 Å²	134	98 Å²	98	63%	0.626	51%	0.509	S	S	*	.			trans	-116.9	90.3	168	-61.6	-168.1	21.5	0	0	108.6	S93 K97	S93-Q95 VanDerWaalsContact C-N 3.25Å; S93-Q95 PolarHBondContact O-N 2.85Å; Q95-K97 HydrophobicContact CB-CG 3.97Å; Q95-K97 PolarHBondContact O-N 3.28Å
96	L	46.6	Very low	62.5	Low	125 Å²	125	102 Å²	102	65%	0.654	53%	0.527	S	S	*	.			trans	-59.3	89.4	139.8	-90	82.4	0	0	0	103.6	P98	L96-P98 WeakPolarHBondContact O-CD 3.48Å; L96-P98 VanDerWaalsContact O-N 3.08Å
97	K	45.3	Very low	61	Low	150 Å²	150	104.8 Å²	104.8	65%	0.652	53%	0.529	S	S	*	.			trans	-63	114.1	173.8	-82.9	-175.1	175.2	176.5	0	105.4	Q95	Q95-K97 HydrophobicContact CB-CG 3.97Å; Q95-K97 PolarHBondContact O-N 3.28Å
98	P	40	Very low	59.5	Low	84 Å²	84	103.5 Å²	103.5	55%	0.545	52%	0.523	S	S	.	.			trans	-63.3	147	165.9	33.5	-34.5	0	0	0	106.1	L96 I100	L96-P98 WeakPolarHBondContact O-CD 3.48Å; L96-P98 VanDerWaalsContact O-N 3.08Å; P98-I100 HydrophobicContact CB-CD1 3.72Å; P98-I100 HydrophobicContact CB-CG1 3.83Å; P98-I100 HydrophobicContact CG-CB 4.48Å; P98-I100 HydrophobicContact CG-CD1 3.63Å; P98-I100 HydrophobicContact CG-CG1 3.96Å; P98-I100 PolarHBondContact O-N 2.82Å
99	F	44.8	Very low	58	Low	201 Å²	201	101.5 Å²	101.5	88%	0.882	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	26	179.7	-110.3	-99.4	0	0	0	115.3
100	I	45.8	Very low	56.7	Low	107 Å²	107	104.4 Å²	104.4	55%	0.549	53%	0.529	S	S	.	.	H	α-helix	trans	-89.7	-18.4	-164.4	-58.2	178	0	0	0	112.7	P98 M102 G103 L104	P98-I100 HydrophobicContact CB-CD1 3.72Å; P98-I100 HydrophobicContact CB-CG1 3.83Å; P98-I100 HydrophobicContact CG-CB 4.48Å; P98-I100 HydrophobicContact CG-CD1 3.63Å; P98-I100 HydrophobicContact CG-CG1 3.96Å; P98-I100 PolarHBondContact O-N 2.82Å; I100-M102 VanDerWaalsContact C-N 3.34Å; I100-M102 PolarHBondContact O-N 2.89Å; I100-G103 PolarHBondContact O-N 3.13Å; I100-L104 HydrophobicContact CG2-CD1 4.45Å; I100-L104 PolarHBondContact O-N 3.12Å
101	T	47.3	Very low	55.1	Low	97 Å²	97	108.2 Å²	108.2	60%	0.595	54%	0.54	S	S	*	.	H	α-helix	trans	-73.4	-21.2	178.5	38.1	0	0	0	0	114.3	I105	T101-I105 WeakPolarHBondContact O-CD1 3.42Å; T101-I105 WeakPolarHBondContact O-CG1 3.4Å
102	M	45.5	Very low	53.8	Low	123 Å²	123	113.1 Å²	113.1	61%	0.606	57%	0.565	S	S	*	*	H	α-helix	trans	-79.5	-31.9	173	-80.3	-67.7	160.7	0	0	112.6	I100 I105 I106	I100-M102 VanDerWaalsContact C-N 3.34Å; I100-M102 PolarHBondContact O-N 2.89Å; M102-I105 PolarHBondContact O-N 3.48Å; M102-I106 WeakPolarHBondContact O-CD1 3.21Å; M102-I106 VanDerWaalsContact O-CG1 3.27Å; M102-I106 WeakPolarHBondContact O-CG1 3.3Å; M102-I106 PolarHBondContact O-N 3.49Å; M102-I106 VanDerWaalsContact O-N 3.11Å
103	G	46.7	Very low	52.4	Low	44 Å²	44	117.5 Å²	117.5	45%	0.454	58%	0.583	S	S	.	*	H	α-helix	trans	-65.1	-39.4	176.6	0	0	0	0	0	113.2	I100 Y107	I100-G103 PolarHBondContact O-N 3.13Å; G103-Y107 VanDerWaalsContact O-CB 3.31Å; G103-Y107 WeakPolarHBondContact O-CB 3.44Å; G103-Y107 PolarHBondContact O-N 3.2Å
104	L	50.1	Low	52.1	Low	120 Å²	120	119.2 Å²	119.2	63%	0.628	59%	0.587	S	S	*	*	H	α-helix	trans	-68.2	-37.7	178.2	-87.2	156.9	0	0	0	112.9	I100 S108	I100-L104 HydrophobicContact CG2-CD1 4.45Å; I100-L104 PolarHBondContact O-N 3.12Å; L104-S108 WeakPolarHBondContact O-CB 3.39Å; L104-S108 PolarHBondContact O-N 3.48Å; L104-S108 PolarHBondContact O-OG 3.11Å
105	I	54.9	Low	52	Low	101 Å²	101	118.8 Å²	118.8	52%	0.518	59%	0.585	S	S	.	*	H	α-helix	trans	-69.3	-44.1	177.6	-62.2	170	0	0	0	110.1	T101 M102 Y107 S108 A109	T101-I105 WeakPolarHBondContact O-CD1 3.42Å; T101-I105 WeakPolarHBondContact O-CG1 3.4Å; M102-I105 PolarHBondContact O-N 3.48Å; I105-Y107 PolarHBondContact O-N 3.12Å; I105-S108 WeakPolarHBondContact CA-OG 3.28Å; I105-S108 PolarHBondContact O-N 3.45Å; I105-S108 PolarHBondContact O-OG 3.38Å; I105-A109 WeakPolarHBondContact O-CB 3.22Å; I105-A109 PolarHBondContact O-N 2.86Å
106	I	58.6	Low	52.1	Low	116 Å²	116	124.1 Å²	124.1	60%	0.595	61%	0.607	S	S	*	*	H	α-helix	trans	-64.3	-41.5	177.2	-64.7	166.6	0	0	0	111.3	M102 A109 W110	M102-I106 WeakPolarHBondContact O-CD1 3.21Å; M102-I106 VanDerWaalsContact O-CG1 3.27Å; M102-I106 WeakPolarHBondContact O-CG1 3.3Å; M102-I106 PolarHBondContact O-N 3.49Å; M102-I106 VanDerWaalsContact O-N 3.11Å; I106-A109 PolarHBondContact O-N 3.19Å; I106-W110 WeakPolarHBondContact O-CB 3.43Å; I106-W110 PolarHBondContact O-N 2.97Å
107	Y	56.1	Low	52.3	Low	149 Å²	149	124.1 Å²	124.1	58%	0.584	60%	0.604	S	S	*	*	H	α-helix	trans	-65.5	-41.4	177.4	-167.7	-95.6	0	0	0	111.9	G103 I105 W110 Y111	G103-Y107 VanDerWaalsContact O-CB 3.31Å; G103-Y107 WeakPolarHBondContact O-CB 3.44Å; G103-Y107 PolarHBondContact O-N 3.2Å; I105-Y107 PolarHBondContact O-N 3.12Å; Y107-W110 PolarHBondContact O-N 3.41Å; Y107-Y111 WeakPolarHBondContact O-CB 3.32Å; Y107-Y111 PolarHBondContact O-N 2.98Å
108	S	56.2	Low	52.7	Low	58 Å²	58	122.7 Å²	122.7	41%	0.406	60%	0.602	S	S	.	*	H	α-helix	trans	-65.9	-39	175.7	67.4	0	0	0	0	112.7	L104 I105 Y111 I112	L104-S108 WeakPolarHBondContact O-CB 3.39Å; L104-S108 PolarHBondContact O-N 3.48Å; L104-S108 PolarHBondContact O-OG 3.11Å; I105-S108 WeakPolarHBondContact CA-OG 3.28Å; I105-S108 PolarHBondContact O-N 3.45Å; I105-S108 PolarHBondContact O-OG 3.38Å; S108-Y111 PolarHBondContact O-N 3.33Å; S108-I112 WeakPolarHBondContact O-CD1 3.23Å; S108-I112 VanDerWaalsContact O-CG1 3.28Å; S108-I112 WeakPolarHBondContact O-CG1 3.42Å; S108-I112 PolarHBondContact O-N 3.47Å; S108-I112 VanDerWaalsContact O-N 3.11Å
109	A	56.6	Low	53.4	Low	48 Å²	48	124.8 Å²	124.8	40%	0.397	61%	0.605	S	S	.	*	H	α-helix	trans	-67	-41.3	175.7	0	0	0	0	0	112.1	I105 I106 I112 F113	I105-A109 WeakPolarHBondContact O-CB 3.22Å; I105-A109 PolarHBondContact O-N 2.86Å; I106-A109 PolarHBondContact O-N 3.19Å; A109-I112 PolarHBondContact O-N 2.97Å; A109-F113 PolarHBondContact O-N 3.13Å; A109-F113 VanDerWaalsContact O-N 3.12Å
110	W	61.4	Low	53.9	Low	158 Å²	158	120.4 Å²	120.4	60%	0.598	59%	0.589	S	S	*	*	H	α-helix	trans	-66.1	-37	176.2	-174.9	74.7	0	0	0	112.7	I106 Y107 N114	I106-W110 WeakPolarHBondContact O-CB 3.43Å; I106-W110 PolarHBondContact O-N 2.97Å; Y107-W110 PolarHBondContact O-N 3.41Å; W110-N114 PolarHBondContact NE1-ND2 3Å; W110-N114 VanDerWaalsContact NE1-ND2 3.13Å; W110-N114 PolarHBondContact O-N 3.41Å; W110-N114 PolarHBondContact O-ND2 3.13Å; W110-N114 VanDerWaalsContact O-ND2 3.12Å
111	Y	55.9	Low	54.4	Low	111 Å²	111	121.2 Å²	121.2	44%	0.435	59%	0.591	S	S	.	*	H	α-helix	trans	-69	-38.6	177.6	-164.3	-92.4	0	0	0	112.6	Y107 S108 R115	Y107-Y111 WeakPolarHBondContact O-CB 3.32Å; Y107-Y111 PolarHBondContact O-N 2.98Å; S108-Y111 PolarHBondContact O-N 3.33Å; Y111-R115 HydrophobicContact CE1-CG 4.41Å; Y111-R115 PolarHBondContact O-N 3.49Å; Y111-R115 PolarHBondContact OH-NE 3.03Å; Y111-R115 VanDerWaalsContact OH-NE 3.13Å; Y111-R115 PolarHBondContact OH-NH2 3.33Å
112	I	61.7	Low	54.9	Low	108 Å²	108	122.8 Å²	122.8	55%	0.554	59%	0.591	S	S	*	*	H	α-helix	trans	-68.6	-41.1	177	-68	165.5	0	0	0	110.9	S108 A109 N114	S108-I112 WeakPolarHBondContact O-CD1 3.23Å; S108-I112 VanDerWaalsContact O-CG1 3.28Å; S108-I112 WeakPolarHBondContact O-CG1 3.42Å; S108-I112 PolarHBondContact O-N 3.47Å; S108-I112 VanDerWaalsContact O-N 3.11Å; A109-I112 PolarHBondContact O-N 2.97Å; I112-N114 PolarHBondContact O-N 2.95Å
113	F	56.3	Low	55.6	Low	174 Å²	174	122.8 Å²	122.8	76%	0.763	59%	0.59	S	S	*	*	H	α-helix	trans	-72.9	-22	-179.7	-97.9	-86.9	0	0	0	114.8	A109	A109-F113 PolarHBondContact O-N 3.13Å; A109-F113 VanDerWaalsContact O-N 3.12Å
114	N	60.5	Low	56.3	Low	107 Å²	107	128.8 Å²	128.8	57%	0.572	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	4.4	177.8	-80.7	-72.4	0	0	0	114.2	W110 I112	W110-N114 PolarHBondContact NE1-ND2 3Å; W110-N114 VanDerWaalsContact NE1-ND2 3.13Å; W110-N114 PolarHBondContact O-N 3.41Å; W110-N114 PolarHBondContact O-ND2 3.13Å; W110-N114 VanDerWaalsContact O-ND2 3.12Å; I112-N114 PolarHBondContact O-N 2.95Å
115	R	54.7	Low	56.8	Low	180 Å²	180	129.6 Å²	129.6	68%	0.679	60%	0.598	S	S	*	*			trans	-108.6	1.7	177	-106.7	-155.9	-168.1	-145	9	114.5	Y111	Y111-R115 HydrophobicContact CE1-CG 4.41Å; Y111-R115 PolarHBondContact O-N 3.49Å; Y111-R115 PolarHBondContact OH-NE 3.03Å; Y111-R115 VanDerWaalsContact OH-NE 3.13Å; Y111-R115 PolarHBondContact OH-NH2 3.33Å
116	F	48.5	Very low	57	Low	245 Å²	245	132.2 Å²	132.2	100%	1.075	61%	0.605	S	S	*	*			trans	-124.7	0	170.4	-77.8	-80.6	0	0	0	109

Retrieved 116 of 116 residues in 40 ms (Link to these results)

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