A0A077ZDE4_TRITR Loading...

Heat shock protein Hsp 12.2

AlphaFold DB , UniProt , Accession A0A077ZDE4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 142 aa.

						>A0A077ZDE4_TRITR|A0A077ZDE4
MTQLCTGEETVFWHWPWNQGGLAKCEFFEDKFRVVLSCANSKENKTMEIKSSERKNSLTVGLCPATDEWRNIWEVTVQAMHTLHLIVIELKQEMRDRSPAFRKTRIIRKAYRLPLVYDIDTLNATYSRDEAAVIVEARRRSI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	45.4	Very low	52.7	Low	207 Å²	207	113.6 Å²	113.6	100%	1.02	64%	0.642	S	S	*	*				0	105	0	-79	-179.5	-129.8	0	0	107.1
2	T	45.2	Very low	55.5	Low	97 Å²	97	112.7 Å²	112.7	60%	0.595	63%	0.626	S	S	*	*			trans	-86.1	115.7	173.7	-50.9	0	0	0	0	106.5	L4 E29	T2-L4 PolarHBondContact O-N 3.35Å; T2-L4 VanDerWaalsContact O-N 3.14Å; T2-E29 WeakPolarHBondContact O-CG 3.49Å
3	Q	43	Very low	58.2	Low	130 Å²	130	104.5 Å²	104.5	61%	0.607	58%	0.58	S	S	*	*			trans	-69.5	106.7	168.3	-175.7	-177.7	-18.7	0	0	106.2	C5	Q3-C5 PolarHBondContact O-N 3.43Å
4	L	48.9	Very low	60.3	Low	76 Å²	76	104 Å²	104	40%	0.398	57%	0.57	S	S	.	*			trans	-66.4	133.6	170.5	-73.7	165.9	0	0	0	107.5	T2 E29	T2-L4 PolarHBondContact O-N 3.35Å; T2-L4 VanDerWaalsContact O-N 3.14Å; L4-E29 HydrophobicContact CD1-CB 3.52Å; L4-E29 HydrophobicContact CD1-CG 3.33Å; L4-E29 HydrophobicContact CD2-CG 4.49Å; L4-E29 WeakPolarHBondContact CD2-OE1 3.28Å; L4-E29 HydrophobicContact CG-CB 4.31Å; L4-E29 HydrophobicContact CG-CG 3.54Å; L4-E29 WeakPolarHBondContact CG-OE1 3.26Å
5	C	47.3	Very low	62.2	Low	63 Å²	63	97.2 Å²	97.2	43%	0.426	53%	0.533	S	S	.	.			trans	85.6	95.5	168	-49.4	0	0	0	0	115.7	Q3 G7 E8	Q3-C5 PolarHBondContact O-N 3.43Å; C5-G7 PolarHBondContact O-N 2.8Å; C5-G7 VanDerWaalsContact O-N 3.15Å; C5-E8 HydrophobicContact CB-CB 4.1Å; C5-E8 HydrophobicContact CB-CG 3.88Å
6	T	48.4	Very low	63.5	Low	162 Å²	162	94.1 Å²	94.1	99%	0.994	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	18.3	163.1	47.6	0	0	0	0	113.5
7	G	46.1	Very low	64.6	Low	74 Å²	74	90.3 Å²	90.3	76%	0.763	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.2	5.1	-173.1	0	0	0	0	0	116.8	C5	C5-G7 PolarHBondContact O-N 2.8Å; C5-G7 VanDerWaalsContact O-N 3.15Å
8	E	50.7	Low	65.5	Low	130 Å²	130	87.3 Å²	87.3	61%	0.607	48%	0.478	S	S	*	.	S	Bend	trans	-85.4	130.6	173.3	-78.2	-174.9	172	0	0	110.3	C5 T10	C5-E8 HydrophobicContact CB-CB 4.1Å; C5-E8 HydrophobicContact CB-CG 3.88Å; E8-T10 PolarHBondContact O-N 3.27Å; E8-T10 VanDerWaalsContact O-N 3.16Å
9	E	55.5	Low	65.9	Low	173 Å²	173	93.3 Å²	93.3	81%	0.808	50%	0.502	S	S	*	.			trans	-35.8	118.6	174.7	-65.4	175.4	158.4	0	0	110.2	V11	E9-V11 WeakPolarHBondContact O-CG2 3.2Å; E9-V11 PolarHBondContact O-N 2.94Å
10	T	65.1	Low	66.8	Low	78 Å²	78	91.6 Å²	91.6	48%	0.479	51%	0.507	S	S	.	.			trans	-63.4	105	173.8	-54.6	0	0	0	0	107.6	E8 F12 K24	E8-T10 PolarHBondContact O-N 3.27Å; E8-T10 VanDerWaalsContact O-N 3.16Å; T10-F12 HydrophobicContact CG2-CD2 4.01Å; T10-F12 HydrophobicContact CG2-CE1 3.88Å; T10-F12 HydrophobicContact CG2-CE2 3.3Å; T10-F12 HydrophobicContact CG2-CZ 3.23Å; T10-F12 WeakPolarHBondContact O-CD2 3.12Å; T10-F12 WeakPolarHBondContact O-CE2 3.41Å; T10-F12 PolarHBondContact O-N 3.02Å; T10-K24 HydrophobicContact CG2-CD 4.24Å; T10-K24 HydrophobicContact CG2-CG 3.92Å
11	V	83.6	Confident	67.7	Low	60 Å²	60	88.1 Å²	88.1	36%	0.364	49%	0.493	S	S	.	.			trans	-78.7	124	178.2	-176.9	0	0	0	0	107.9	E9 C25 F27	E9-V11 WeakPolarHBondContact O-CG2 3.2Å; E9-V11 PolarHBondContact O-N 2.94Å; V11-C25 HydrophobicContact CB-CB 4.11Å; V11-C25 WeakPolarHBondContact O-CB 3.43Å; V11-C25 PolarHBondContact O-N 3.19Å; V11-C25 PolarHBondContact O-SG 3.42Å; V11-F27 HydrophobicContact CB-CE2 3.73Å; V11-F27 HydrophobicContact CB-CZ 3.92Å; V11-F27 HydrophobicContact CG1-CZ 4.49Å; V11-F27 HydrophobicContact CG2-CE2 3.68Å; V11-F27 HydrophobicContact CG2-CZ 3.93Å
12	F	87	Confident	69.9	Low	102 Å²	102	82.3 Å²	82.3	45%	0.447	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	137	174.9	-65.3	-85.8	0	0	0	110.4	T10 L22 A23 K24	T10-F12 HydrophobicContact CG2-CD2 4.01Å; T10-F12 HydrophobicContact CG2-CE1 3.88Å; T10-F12 HydrophobicContact CG2-CE2 3.3Å; T10-F12 HydrophobicContact CG2-CZ 3.23Å; T10-F12 WeakPolarHBondContact O-CD2 3.12Å; T10-F12 WeakPolarHBondContact O-CE2 3.41Å; T10-F12 PolarHBondContact O-N 3.02Å; F12-L22 HydrophobicContact CB-CB 4.24Å; F12-L22 HydrophobicContact CB-CD2 4.03Å; F12-L22 HydrophobicContact CD1-CB 4.05Å; F12-L22 HydrophobicContact CG-CB 4.41Å; F12-L22 HydrophobicContact CG-CD1 4.47Å; F12-A23 CarbonylContact C-O 3.56Å; F12-A23 WeakPolarHBondContact CA-O 3.43Å; F12-K24 HydrophobicContact CD1-CB 4.09Å; F12-K24 HydrophobicContact CE1-CB 3.88Å; F12-K24 HydrophobicContact CE1-CG 4.11Å
13	W	89.8	Confident	72.1	Confident	7 Å²	7	77.8 Å²	77.8	3%	0.027	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130	165.6	-74.8	10.6	0	0	0	109	W15 L22 A23 C25 F32 V34 L36 I86 I88 Y111 V135	W13-W15 PolarHBondContact O-N 2.86Å; W13-L22 CarbonylContact O-C 3.13Å; W13-L22 VanDerWaalsContact O-CA 3.32Å; W13-L22 WeakPolarHBondContact O-CA 3.33Å; W13-A23 HydrophobicContact CB-CB 4.28Å; W13-A23 PolarHBondContact N-O 3.2Å; W13-A23 PolarHBondContact O-N 2.72Å; W13-C25 PolarHBondContact NE1-SG 3.14Å; W13-F32 HydrophobicContact CH2-CE1 4.14Å; W13-F32 AromaticContact CH2-CZ 3.98Å; W13-F32 HydrophobicContact CH2-CZ 3.98Å; W13-F32 AromaticContact CZ2-CE1 3.98Å; W13-F32 HydrophobicContact CZ2-CE1 3.98Å; W13-F32 HydrophobicContact CZ2-CE2 4.49Å; W13-F32 AromaticContact CZ2-CZ 3.45Å; W13-F32 HydrophobicContact CZ2-CZ 3.45Å; W13-F32 VanDerWaalsContact CZ2-CZ 3.45Å; W13-V34 HydrophobicContact CD2-CG1 4.29Å; W13-V34 HydrophobicContact CD2-CG2 4.17Å; W13-V34 HydrophobicContact CE3-CB 4.43Å; W13-V34 HydrophobicContact CE3-CG1 3.76Å; W13-V34 HydrophobicContact CE3-CG2 3.97Å; W13-V34 HydrophobicContact CH2-CG1 3.57Å; W13-V34 HydrophobicContact CZ2-CG1 4.12Å; W13-V34 HydrophobicContact CZ3-CB 4.46Å; W13-V34 HydrophobicContact CZ3-CG1 3.37Å; W13-V34 HydrophobicContact CZ3-CG2 4.44Å; W13-L36 HydrophobicContact CE3-CD2 4.11Å; W13-L36 HydrophobicContact CZ3-CD1 4.47Å; W13-I86 HydrophobicContact CH2-CB 4.2Å; W13-I86 HydrophobicContact CH2-CD1 4.01Å; W13-I86 HydrophobicContact CH2-CG2 3.88Å; W13-I86 HydrophobicContact CZ2-CD1 4.11Å; W13-I88 HydrophobicContact CE3-CG1 4.16Å; W13-I88 HydrophobicContact CH2-CD1 4.33Å; W13-I88 HydrophobicContact CH2-CG1 4.25Å; W13-I88 HydrophobicContact CZ3-CD1 3.82Å; W13-I88 HydrophobicContact CZ3-CG1 3.53Å; W13-Y111 HydrophobicContact CB-CD1 4.04Å; W13-Y111 HydrophobicContact CB-CE1 3.48Å; W13-Y111 VanDerWaalsContact CB-CE1 3.48Å; W13-Y111 HydrophobicContact CB-CE2 4.09Å; W13-Y111 VanDerWaalsContact CB-CZ 3.5Å; W13-Y111 AromaticContact CD1-CD1 3.26Å; W13-Y111 AromaticContact CD1-CE1 3.65Å; W13-Y111 AromaticContact CD1-CG 3.6Å; W13-Y111 AromaticContact CD2-CD1 3.79Å; W13-Y111 HydrophobicContact CD2-CD1 3.79Å; W13-Y111 AromaticContact CD2-CD2 3.33Å; W13-Y111 HydrophobicContact CD2-CD2 3.33Å; W13-Y111 HydrophobicContact CD2-CE1 4Å; W13-Y111 AromaticContact CD2-CE2 3.57Å; W13-Y111 HydrophobicContact CD2-CE2 3.57Å; W13-Y111 AromaticContact CD2-CG 3.44Å; W13-Y111 HydrophobicContact CD2-CG 3.44Å; W13-Y111 VanDerWaalsContact CD2-CG 3.44Å; W13-Y111 AromaticContact CD2-CZ 3.88Å; W13-Y111 AromaticContact CE2-CD1 3.88Å; W13-Y111 AromaticContact CE2-CD2 3.56Å; W13-Y111 AromaticContact CE2-CG 3.31Å; W13-Y111 AromaticContact CE3-CD2 3.45Å; W13-Y111 HydrophobicContact CE3-CD2 3.45Å; W13-Y111 VanDerWaalsContact CE3-CD2 3.45Å; W13-Y111 AromaticContact CE3-CE2 3.49Å; W13-Y111 HydrophobicContact CE3-CE2 3.49Å; W13-Y111 VanDerWaalsContact CE3-CE2 3.49Å; W13-Y111 HydrophobicContact CE3-CG 4.06Å; W13-Y111 AromaticContact CG-CD1 3.43Å; W13-Y111 HydrophobicContact CG-CD1 3.43Å; W13-Y111 VanDerWaalsContact CG-CD1 3.43Å; W13-Y111 AromaticContact CG-CD2 3.86Å; W13-Y111 HydrophobicContact CG-CD2 3.86Å; W13-Y111 AromaticContact CG-CE1 3.41Å; W13-Y111 HydrophobicContact CG-CE1 3.41Å; W13-Y111 VanDerWaalsContact CG-CE1 3.41Å; W13-Y111 AromaticContact CG-CE2 3.84Å; W13-Y111 HydrophobicContact CG-CE2 3.84Å; W13-Y111 AromaticContact CG-CG 3.65Å; W13-Y111 HydrophobicContact CG-CG 3.65Å; W13-Y111 AromaticContact CG-CZ 3.61Å; W13-Y111 HydrophobicContact CH2-CD2 4.01Å; W13-Y111 HydrophobicContact CH2-CG 4.43Å; W13-Y111 AromaticContact CZ2-CD2 3.9Å; W13-Y111 HydrophobicContact CZ2-CD2 3.9Å; W13-Y111 AromaticContact CZ2-CG 3.86Å; W13-Y111 HydrophobicContact CZ2-CG 3.86Å; W13-Y111 AromaticContact CZ3-CD2 3.79Å; W13-Y111 HydrophobicContact CZ3-CD2 3.79Å; W13-Y111 HydrophobicContact CZ3-CE2 4.14Å; W13-Y111 AromaticContact NE1-CD1 3.55Å; W13-Y111 AromaticContact NE1-CG 3.41Å; W13-V135 HydrophobicContact CH2-CG1 4.43Å
14	H	87.6	Confident	74.3	Confident	97 Å²	97	76 Å²	76	45%	0.449	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	110	172.2	178.5	-75	0	0	0	110.6	Y111	H14-Y111 PolarHBondContact N-OH 2.84Å; H14-Y111 PolarHBondContact O-OH 2.85Å
15	W	89.2	Confident	76.4	Confident	2 Å²	2	72.6 Å²	72.6	1%	0.008	41%	0.411	C	S	.	.			trans	-134.6	88.1	-172.7	-165.6	-105.5	0	0	0	111.4	W13 W17 N18 G21 A23 L36 S37 I88 L90	W13-W15 PolarHBondContact O-N 2.86Å; W15-W17 AromaticContact CD2-CE3 3.66Å; W15-W17 HydrophobicContact CD2-CE3 3.66Å; W15-W17 AromaticContact CD2-CZ3 3.68Å; W15-W17 HydrophobicContact CD2-CZ3 3.68Å; W15-W17 AromaticContact CE2-CE3 3.53Å; W15-W17 AromaticContact CE2-CZ3 3.77Å; W15-W17 HydrophobicContact CE3-CE3 4.09Å; W15-W17 AromaticContact CE3-CZ3 3.6Å; W15-W17 HydrophobicContact CE3-CZ3 3.6Å; W15-W17 HydrophobicContact CG-CE3 4.06Å; W15-W17 HydrophobicContact CG-CZ3 4.43Å; W15-W17 HydrophobicContact CH2-CE3 4.33Å; W15-W17 HydrophobicContact CH2-CH2 4.44Å; W15-W17 AromaticContact CH2-CZ3 3.81Å; W15-W17 HydrophobicContact CH2-CZ3 3.81Å; W15-W17 AromaticContact CZ2-CE3 3.89Å; W15-W17 HydrophobicContact CZ2-CE3 3.89Å; W15-W17 AromaticContact CZ2-CZ3 3.84Å; W15-W17 HydrophobicContact CZ2-CZ3 3.84Å; W15-W17 HydrophobicContact CZ3-CE3 4.4Å; W15-W17 HydrophobicContact CZ3-CH2 4.42Å; W15-W17 AromaticContact CZ3-CZ3 3.66Å; W15-W17 HydrophobicContact CZ3-CZ3 3.66Å; W15-W17 AromaticContact NE1-CE3 3.79Å; W15-W17 PolarHBondContact O-N 3.34Å; W15-N18 PolarHBondContact O-N 3.28Å; W15-N18 PolarHBondContact O-OD1 3.46Å; W15-N18 VanDerWaalsContact O-OD1 3.14Å; W15-G21 CarbonylContact C-O 3.55Å; W15-G21 PolarHBondContact N-O 3.26Å; W15-G21 CarbonylContact O-C 3.55Å; W15-G21 VanDerWaalsContact O-CA 3.24Å; W15-G21 WeakPolarHBondContact O-CA 3.34Å; W15-A23 HydrophobicContact CB-CB 3.75Å; W15-A23 HydrophobicContact CG-CB 4.18Å; W15-L36 HydrophobicContact CD2-CB 4.49Å; W15-L36 HydrophobicContact CD2-CD2 3.85Å; W15-L36 HydrophobicContact CE3-CD2 4.07Å; W15-L36 HydrophobicContact CG-CD2 4.17Å; W15-L36 HydrophobicContact CH2-CB 4.44Å; W15-L36 HydrophobicContact CH2-CD1 4.08Å; W15-L36 HydrophobicContact CZ2-CB 3.84Å; W15-L36 HydrophobicContact CZ2-CD1 4.31Å; W15-L36 HydrophobicContact CZ2-CG 4.45Å; W15-L36 HydrophobicContact CZ3-CD1 4.31Å; W15-L36 HydrophobicContact CZ3-CD2 4.47Å; W15-S37 PolarHBondContact NE1-O 3.01Å; W15-I88 HydrophobicContact CH2-CG2 3.59Å; W15-I88 HydrophobicContact CZ3-CB 4.27Å; W15-I88 HydrophobicContact CZ3-CG2 3.46Å; W15-I88 VanDerWaalsContact CZ3-CG2 3.46Å; W15-L90 HydrophobicContact CH2-CB 3.71Å; W15-L90 HydrophobicContact CH2-CD2 4.35Å; W15-L90 HydrophobicContact CH2-CG 4.44Å; W15-L90 HydrophobicContact CZ2-CB 4.14Å; W15-L90 HydrophobicContact CZ2-CD1 4.44Å; W15-L90 HydrophobicContact CZ2-CD2 3.92Å; W15-L90 HydrophobicContact CZ2-CG 4.39Å
16	P	82.6	Confident	78.5	Confident	47 Å²	47	72.3 Å²	72.3	31%	0.305	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	2.2	-166.6	26.9	-35.9	0	0	0	116.1	I107	P16-I107 HydrophobicContact CG-CD1 3.58Å
17	W	82.5	Confident	80.6	Confident	30 Å²	30	66.4 Å²	66.4	11%	0.114	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-3.1	-176.9	-56.8	-97.2	0	0	0	114.4	W15 C38 W73 L90 I107	W15-W17 AromaticContact CD2-CE3 3.66Å; W15-W17 HydrophobicContact CD2-CE3 3.66Å; W15-W17 AromaticContact CD2-CZ3 3.68Å; W15-W17 HydrophobicContact CD2-CZ3 3.68Å; W15-W17 AromaticContact CE2-CE3 3.53Å; W15-W17 AromaticContact CE2-CZ3 3.77Å; W15-W17 HydrophobicContact CE3-CE3 4.09Å; W15-W17 AromaticContact CE3-CZ3 3.6Å; W15-W17 HydrophobicContact CE3-CZ3 3.6Å; W15-W17 HydrophobicContact CG-CE3 4.06Å; W15-W17 HydrophobicContact CG-CZ3 4.43Å; W15-W17 HydrophobicContact CH2-CE3 4.33Å; W15-W17 HydrophobicContact CH2-CH2 4.44Å; W15-W17 AromaticContact CH2-CZ3 3.81Å; W15-W17 HydrophobicContact CH2-CZ3 3.81Å; W15-W17 AromaticContact CZ2-CE3 3.89Å; W15-W17 HydrophobicContact CZ2-CE3 3.89Å; W15-W17 AromaticContact CZ2-CZ3 3.84Å; W15-W17 HydrophobicContact CZ2-CZ3 3.84Å; W15-W17 HydrophobicContact CZ3-CE3 4.4Å; W15-W17 HydrophobicContact CZ3-CH2 4.42Å; W15-W17 AromaticContact CZ3-CZ3 3.66Å; W15-W17 HydrophobicContact CZ3-CZ3 3.66Å; W15-W17 AromaticContact NE1-CE3 3.79Å; W15-W17 PolarHBondContact O-N 3.34Å; W17-C38 WeakPolarHBondContact CB-O 3.3Å; W17-W73 AromaticContact CD1-CH2 3.67Å; W17-W73 AromaticContact CD1-CZ3 3.51Å; W17-W73 HydrophobicContact CG-CZ3 4.41Å; W17-W73 AromaticContact NE1-CZ3 3.59Å; W17-L90 HydrophobicContact CB-CD2 4.49Å; W17-L90 HydrophobicContact CD2-CD2 3.3Å; W17-L90 HydrophobicContact CE3-CD2 3.65Å; W17-L90 HydrophobicContact CG-CD2 3.7Å; W17-L90 HydrophobicContact CH2-CB 3.44Å; W17-L90 VanDerWaalsContact CH2-CB 3.44Å; W17-L90 HydrophobicContact CH2-CD2 3.58Å; W17-L90 HydrophobicContact CH2-CG 4.05Å; W17-L90 HydrophobicContact CZ2-CB 3.75Å; W17-L90 HydrophobicContact CZ2-CD2 3.32Å; W17-L90 HydrophobicContact CZ2-CG 3.92Å; W17-L90 HydrophobicContact CZ3-CB 4.04Å; W17-L90 HydrophobicContact CZ3-CD2 3.8Å; W17-I107 HydrophobicContact CH2-CB 3.35Å; W17-I107 HydrophobicContact CH2-CD1 3.64Å; W17-I107 HydrophobicContact CH2-CG1 3.86Å; W17-I107 HydrophobicContact CH2-CG2 3.66Å; W17-I107 HydrophobicContact CZ2-CB 3.64Å; W17-I107 HydrophobicContact CZ2-CD1 3.35Å; W17-I107 HydrophobicContact CZ2-CG1 3.64Å; W17-I107 HydrophobicContact CZ2-CG2 4.36Å; W17-I107 HydrophobicContact CZ3-CB 4.44Å; W17-I107 HydrophobicContact CZ3-CD1 4.44Å; W17-I107 HydrophobicContact CZ3-CG2 4.34Å
18	N	80.4	Confident	82.7	Confident	36 Å²	36	64.1 Å²	64.1	19%	0.193	33%	0.333	C	S	.	.	S	Bend	trans	-97.9	164	164.9	66.8	26.5	0	0	0	110.6	W15 G20 G21 L22	W15-N18 PolarHBondContact O-N 3.28Å; W15-N18 PolarHBondContact O-OD1 3.46Å; W15-N18 VanDerWaalsContact O-OD1 3.14Å; N18-G20 PolarHBondContact O-N 3.18Å; N18-G20 PolarHBondContact OD1-N 3.43Å; N18-G21 PolarHBondContact O-N 3.2Å; N18-G21 VanDerWaalsContact O-N 3.09Å; N18-G21 WeakPolarHBondContact OD1-CA 2.88Å; N18-G21 PolarHBondContact OD1-N 3.03Å; N18-L22 PolarHBondContact ND2-O 3.32Å; N18-L22 PolarHBondContact OD1-N 3.5Å; N18-L22 PolarHBondContact OD1-O 2.8Å
19	Q	74.5	Confident	84.5	Confident	202 Å²	202	61.8 Å²	61.8	94%	0.944	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.1	-174.6	-72.3	-174.3	-18.6	0	0	114
20	G	82.4	Confident	86.3	Confident	58 Å²	58	58.2 Å²	58.2	60%	0.598	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-5.2	178.9	0	0	0	0	0	115.1	N18 L22	N18-G20 PolarHBondContact O-N 3.18Å; N18-G20 PolarHBondContact OD1-N 3.43Å; G20-L22 PolarHBondContact O-N 2.77Å
21	G	87.4	Confident	87.7	Confident	20 Å²	20	56.8 Å²	56.8	21%	0.206	30%	0.295	C	S	.	.	S	Bend	trans	63.3	14.6	-170.3	0	0	0	0	0	114.7	W15 N18	W15-G21 CarbonylContact C-O 3.55Å; W15-G21 PolarHBondContact N-O 3.26Å; W15-G21 CarbonylContact O-C 3.55Å; W15-G21 VanDerWaalsContact O-CA 3.24Å; W15-G21 WeakPolarHBondContact O-CA 3.34Å; N18-G21 PolarHBondContact O-N 3.2Å; N18-G21 VanDerWaalsContact O-N 3.09Å; N18-G21 WeakPolarHBondContact OD1-CA 2.88Å; N18-G21 PolarHBondContact OD1-N 3.03Å
22	L	90.5	Very high	88.2	Confident	85 Å²	85	54 Å²	54	45%	0.445	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	125	-169.3	-66.6	175.2	0	0	0	110.6	F12 W13 N18 G20	F12-L22 HydrophobicContact CB-CB 4.24Å; F12-L22 HydrophobicContact CB-CD2 4.03Å; F12-L22 HydrophobicContact CD1-CB 4.05Å; F12-L22 HydrophobicContact CG-CB 4.41Å; F12-L22 HydrophobicContact CG-CD1 4.47Å; W13-L22 CarbonylContact O-C 3.13Å; W13-L22 VanDerWaalsContact O-CA 3.32Å; W13-L22 WeakPolarHBondContact O-CA 3.33Å; N18-L22 PolarHBondContact ND2-O 3.32Å; N18-L22 PolarHBondContact OD1-N 3.5Å; N18-L22 PolarHBondContact OD1-O 2.8Å; G20-L22 PolarHBondContact O-N 2.77Å
23	A	91	Very high	88.6	Confident	2 Å²	2	51 Å²	51	2%	0.017	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.5	171.3	0	0	0	0	0	109.8	F12 W13 W15 C25 V34 V35 L36	F12-A23 CarbonylContact C-O 3.56Å; F12-A23 WeakPolarHBondContact CA-O 3.43Å; W13-A23 HydrophobicContact CB-CB 4.28Å; W13-A23 PolarHBondContact N-O 3.2Å; W13-A23 PolarHBondContact O-N 2.72Å; W15-A23 HydrophobicContact CB-CB 3.75Å; W15-A23 HydrophobicContact CG-CB 4.18Å; A23-C25 PolarHBondContact O-N 2.98Å; A23-V34 HydrophobicContact CB-CG2 3.77Å; A23-V35 WeakPolarHBondContact CB-O 3.49Å; A23-L36 HydrophobicContact CB-CD2 3.67Å
24	K	90.4	Very high	88.8	Confident	93 Å²	93	50.6 Å²	50.6	40%	0.404	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	128.3	-179.6	-176.5	-178.8	174.6	-166.2	0	110	T10 F12	T10-K24 HydrophobicContact CG2-CD 4.24Å; T10-K24 HydrophobicContact CG2-CG 3.92Å; F12-K24 HydrophobicContact CD1-CB 4.09Å; F12-K24 HydrophobicContact CE1-CB 3.88Å; F12-K24 HydrophobicContact CE1-CG 4.11Å
25	C	91.6	Very high	89.1	Confident	4 Å²	4	47.8 Å²	47.8	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	132.5	166.5	-62.4	0	0	0	0	109.7	V11 W13 A23 F27 F32	V11-C25 HydrophobicContact CB-CB 4.11Å; V11-C25 WeakPolarHBondContact O-CB 3.43Å; V11-C25 PolarHBondContact O-N 3.19Å; V11-C25 PolarHBondContact O-SG 3.42Å; W13-C25 PolarHBondContact NE1-SG 3.14Å; A23-C25 PolarHBondContact O-N 2.98Å; C25-F27 HydrophobicContact CB-CD2 4.49Å; C25-F27 HydrophobicContact CB-CE1 4.48Å; C25-F27 HydrophobicContact CB-CE2 3.69Å; C25-F27 HydrophobicContact CB-CZ 3.69Å; C25-F32 HydrophobicContact CB-CE2 3.81Å
26	E	92.8	Very high	89.3	Confident	56 Å²	56	47.7 Å²	47.7	26%	0.262	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.3	174.3	-54.8	-172.8	123.6	0	0	108.4	F28 F32 R33	E26-F28 HydrophobicContact CB-CD2 4.15Å; E26-F28 HydrophobicContact CB-CE2 3.37Å; E26-F28 HydrophobicContact CB-CZ 3.63Å; E26-F28 HydrophobicContact CG-CE2 4.38Å; E26-F28 HydrophobicContact CG-CZ 4.31Å; E26-F32 CarbonylContact O-C 3.54Å; E26-R33 HydrophobicContact CB-CB 4.32Å; E26-R33 PolarHBondContact N-O 3.15Å; E26-R33 PolarHBondContact O-N 2.8Å; E26-R33 IonicContact OE2-NH1 3.34Å; E26-R33 PolarHBondContact OE2-NH1 3.15Å
27	F	91.1	Very high	89.7	Confident	39 Å²	39	46.9 Å²	46.9	17%	0.171	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	106.8	178.1	-58.2	-75.8	0	0	0	107.6	V11 C25 F32 P114 Y117	V11-F27 HydrophobicContact CB-CE2 3.73Å; V11-F27 HydrophobicContact CB-CZ 3.92Å; V11-F27 HydrophobicContact CG1-CZ 4.49Å; V11-F27 HydrophobicContact CG2-CE2 3.68Å; V11-F27 HydrophobicContact CG2-CZ 3.93Å; C25-F27 HydrophobicContact CB-CD2 4.49Å; C25-F27 HydrophobicContact CB-CE1 4.48Å; C25-F27 HydrophobicContact CB-CE2 3.69Å; C25-F27 HydrophobicContact CB-CZ 3.69Å; F27-F32 AromaticContact CD1-CD2 3.64Å; F27-F32 HydrophobicContact CD1-CD2 3.64Å; F27-F32 HydrophobicContact CD1-CE2 4.37Å; F27-F32 AromaticContact CE1-CD2 3.34Å; F27-F32 HydrophobicContact CE1-CD2 3.34Å; F27-F32 AromaticContact CE1-CE2 3.71Å; F27-F32 HydrophobicContact CE1-CE2 3.71Å; F27-F32 HydrophobicContact CE1-CG 4.49Å; F27-F32 HydrophobicContact CZ-CD2 4.19Å; F27-F32 HydrophobicContact CZ-CE2 4.13Å; F27-P114 HydrophobicContact CD1-CG 4.29Å; F27-P114 HydrophobicContact CE1-CG 3.6Å; F27-P114 HydrophobicContact CZ-CG 4.26Å; F27-Y117 WeakPolarHBondContact CA-OH 3.42Å; F27-Y117 WeakPolarHBondContact CB-OH 3.34Å; F27-Y117 HydrophobicContact CD1-CD2 4.45Å; F27-Y117 AromaticContact CD1-CE2 3.57Å; F27-Y117 HydrophobicContact CD1-CE2 3.57Å; F27-Y117 HydrophobicContact CE1-CE2 4.3Å
28	F	90.2	Very high	90	Very high	25 Å²	25	45.5 Å²	45.5	11%	0.11	24%	0.242	C	C	.	.			trans	-101.7	169.9	176.5	-56.2	-80.3	0	0	0	110.4	E26 D30 K31 R33 Y117	E26-F28 HydrophobicContact CB-CD2 4.15Å; E26-F28 HydrophobicContact CB-CE2 3.37Å; E26-F28 HydrophobicContact CB-CZ 3.63Å; E26-F28 HydrophobicContact CG-CE2 4.38Å; E26-F28 HydrophobicContact CG-CZ 4.31Å; F28-D30 PolarHBondContact O-N 3.49Å; F28-K31 WeakPolarHBondContact CA-O 3.48Å; F28-K31 HydrophobicContact CB-CG 4.17Å; F28-K31 VanDerWaalsContact CB-O 3.28Å; F28-K31 WeakPolarHBondContact CB-O 3.4Å; F28-K31 HydrophobicContact CD2-CG 3.91Å; F28-K31 HydrophobicContact CG-CG 4.43Å; F28-K31 PolarHBondContact N-O 2.79Å; F28-R33 HydrophobicContact CD2-CB 4.29Å; F28-R33 HydrophobicContact CE2-CB 3.91Å; F28-Y117 PolarHBondContact O-OH 3.34Å
29	E	89.5	Confident	90.3	Very high	82 Å²	82	44.2 Å²	44.2	38%	0.383	24%	0.237	S	C	.	.	S	Bend	trans	-62.5	-29.4	-179.4	-32.1	-158.2	137	0	0	113.1	T2 L4 R139	T2-E29 WeakPolarHBondContact O-CG 3.49Å; L4-E29 HydrophobicContact CD1-CB 3.52Å; L4-E29 HydrophobicContact CD1-CG 3.33Å; L4-E29 HydrophobicContact CD2-CG 4.49Å; L4-E29 WeakPolarHBondContact CD2-OE1 3.28Å; L4-E29 HydrophobicContact CG-CB 4.31Å; L4-E29 HydrophobicContact CG-CG 3.54Å; L4-E29 WeakPolarHBondContact CG-OE1 3.26Å; E29-R139 WeakPolarHBondContact O-CD 3.48Å; E29-R139 PolarHBondContact O-NH1 3.1Å
30	D	93.5	Very high	90.7	Very high	98 Å²	98	38.3 Å²	38.3	52%	0.524	21%	0.211	S	C	.	.	S	Bend	trans	-114.5	-19.4	-171.9	65.8	-40.2	0	0	0	112.8	F28 R138 R139	F28-D30 PolarHBondContact O-N 3.49Å; D30-R138 CarbonylContact O-C 3.51Å; D30-R138 WeakPolarHBondContact O-CA 3.43Å; D30-R139 PolarHBondContact O-N 3.02Å
31	K	94.2	Very high	90.6	Very high	47 Å²	47	39.4 Å²	39.4	20%	0.204	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	152	-177.6	67	-178.9	-176.9	164.9	0	114.6	F28 E136 A137	F28-K31 WeakPolarHBondContact CA-O 3.48Å; F28-K31 HydrophobicContact CB-CG 4.17Å; F28-K31 VanDerWaalsContact CB-O 3.28Å; F28-K31 WeakPolarHBondContact CB-O 3.4Å; F28-K31 HydrophobicContact CD2-CG 3.91Å; F28-K31 HydrophobicContact CG-CG 4.43Å; F28-K31 PolarHBondContact N-O 2.79Å; K31-E136 IonicContact NZ-OE1 3.01Å; K31-E136 PolarHBondContact NZ-OE1 2.76Å; K31-E136 IonicContact NZ-OE2 2.91Å; K31-E136 PolarHBondContact NZ-OE2 2.81Å; K31-A137 CarbonylContact C-O 3.59Å; K31-A137 VanDerWaalsContact CA-O 3.26Å; K31-A137 WeakPolarHBondContact CA-O 3.48Å; K31-A137 WeakPolarHBondContact CB-O 3.36Å
32	F	94.2	Very high	90.3	Very high	3 Å²	3	46 Å²	46	1%	0.013	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	145.3	158.9	162.8	-98.9	0	0	0	108.8	W13 C25 E26 F27 V34 I86 L113 Y117 E136 A137	W13-F32 HydrophobicContact CH2-CE1 4.14Å; W13-F32 AromaticContact CH2-CZ 3.98Å; W13-F32 HydrophobicContact CH2-CZ 3.98Å; W13-F32 AromaticContact CZ2-CE1 3.98Å; W13-F32 HydrophobicContact CZ2-CE1 3.98Å; W13-F32 HydrophobicContact CZ2-CE2 4.49Å; W13-F32 AromaticContact CZ2-CZ 3.45Å; W13-F32 HydrophobicContact CZ2-CZ 3.45Å; W13-F32 VanDerWaalsContact CZ2-CZ 3.45Å; C25-F32 HydrophobicContact CB-CE2 3.81Å; E26-F32 CarbonylContact O-C 3.54Å; F27-F32 AromaticContact CD1-CD2 3.64Å; F27-F32 HydrophobicContact CD1-CD2 3.64Å; F27-F32 HydrophobicContact CD1-CE2 4.37Å; F27-F32 AromaticContact CE1-CD2 3.34Å; F27-F32 HydrophobicContact CE1-CD2 3.34Å; F27-F32 AromaticContact CE1-CE2 3.71Å; F27-F32 HydrophobicContact CE1-CE2 3.71Å; F27-F32 HydrophobicContact CE1-CG 4.49Å; F27-F32 HydrophobicContact CZ-CD2 4.19Å; F27-F32 HydrophobicContact CZ-CE2 4.13Å; F32-V34 HydrophobicContact CE1-CG1 4Å; F32-V34 HydrophobicContact CZ-CB 4.06Å; F32-V34 HydrophobicContact CZ-CG1 3.81Å; F32-I86 HydrophobicContact CD1-CD1 4.39Å; F32-I86 HydrophobicContact CE1-CD1 3.89Å; F32-L113 HydrophobicContact CB-CD1 3.99Å; F32-L113 HydrophobicContact CD1-CD1 3.65Å; F32-L113 HydrophobicContact CD2-CD1 4.29Å; F32-L113 HydrophobicContact CE1-CD1 4.22Å; F32-L113 HydrophobicContact CG-CD1 3.69Å; F32-Y117 HydrophobicContact CB-CD1 3.76Å; F32-Y117 HydrophobicContact CB-CD2 3.9Å; F32-Y117 HydrophobicContact CB-CE1 3.99Å; F32-Y117 HydrophobicContact CB-CE2 4.1Å; F32-Y117 HydrophobicContact CB-CG 3.73Å; F32-E136 WeakPolarHBondContact O-CA 3.37Å; F32-E136 WeakPolarHBondContact O-CB 3.15Å; F32-A137 HydrophobicContact CB-CB 4.48Å; F32-A137 HydrophobicContact CD1-CB 4.33Å; F32-A137 PolarHBondContact N-O 2.8Å; F32-A137 PolarHBondContact O-N 3.01Å
33	R	95.2	Very high	90	Very high	37 Å²	37	43.2 Å²	43.2	14%	0.14	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	143.2	179.3	178	178.8	-155.4	-121.8	-4.7	111.8	E26 F28 E130 I134 V135 E136	E26-R33 HydrophobicContact CB-CB 4.32Å; E26-R33 PolarHBondContact N-O 3.15Å; E26-R33 PolarHBondContact O-N 2.8Å; E26-R33 IonicContact OE2-NH1 3.34Å; E26-R33 PolarHBondContact OE2-NH1 3.15Å; F28-R33 HydrophobicContact CD2-CB 4.29Å; F28-R33 HydrophobicContact CE2-CB 3.91Å; R33-E130 IonicContact CZ-OE1 3.37Å; R33-E130 IonicContact CZ-OE2 3.8Å; R33-E130 IonicContact NH1-OE1 2.75Å; R33-E130 PolarHBondContact NH1-OE1 2.86Å; R33-E130 IonicContact NH1-OE2 3.24Å; R33-E130 IonicContact NH2-OE1 2.85Å; R33-E130 PolarHBondContact NH2-OE1 2.79Å; R33-E130 IonicContact NH2-OE2 2.76Å; R33-E130 PolarHBondContact NH2-OE2 2.85Å; R33-I134 HydrophobicContact CG-CG2 3.93Å; R33-V135 CarbonylContact C-O 3.55Å; R33-V135 WeakPolarHBondContact CA-O 3.2Å; R33-E136 HydrophobicContact CB-CG 4.16Å; R33-E136 WeakPolarHBondContact CD-OE1 3.01Å; R33-E136 HydrophobicContact CG-CG 4Å; R33-E136 WeakPolarHBondContact CG-OE1 3Å; R33-E136 IonicContact NE-OE1 3.5Å; R33-E136 PolarHBondContact NE-OE1 2.75Å
34	V	95	Very high	89.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	140	169.3	59.2	0	0	0	0	110.6	W13 A23 F32 L36 I134 V135	W13-V34 HydrophobicContact CD2-CG1 4.29Å; W13-V34 HydrophobicContact CD2-CG2 4.17Å; W13-V34 HydrophobicContact CE3-CB 4.43Å; W13-V34 HydrophobicContact CE3-CG1 3.76Å; W13-V34 HydrophobicContact CE3-CG2 3.97Å; W13-V34 HydrophobicContact CH2-CG1 3.57Å; W13-V34 HydrophobicContact CZ2-CG1 4.12Å; W13-V34 HydrophobicContact CZ3-CB 4.46Å; W13-V34 HydrophobicContact CZ3-CG1 3.37Å; W13-V34 HydrophobicContact CZ3-CG2 4.44Å; A23-V34 HydrophobicContact CB-CG2 3.77Å; F32-V34 HydrophobicContact CE1-CG1 4Å; F32-V34 HydrophobicContact CZ-CB 4.06Å; F32-V34 HydrophobicContact CZ-CG1 3.81Å; V34-L36 HydrophobicContact CG2-CD2 3.85Å; V34-I134 WeakPolarHBondContact O-CA 3.39Å; V34-V135 HydrophobicContact CG1-CB 3.72Å; V34-V135 HydrophobicContact CG1-CG1 4.47Å; V34-V135 HydrophobicContact CG1-CG2 4.48Å; V34-V135 PolarHBondContact N-O 3.48Å; V34-V135 PolarHBondContact O-N 3.22Å
35	V	93.5	Very high	89.4	Confident	37 Å²	37	46.6 Å²	46.6	22%	0.224	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	118.1	-175.2	-174.7	0	0	0	0	109.6	A23 E130 A132 I134	A23-V35 WeakPolarHBondContact CB-O 3.49Å; V35-E130 VanDerWaalsContact CG2-OE2 3.24Å; V35-E130 WeakPolarHBondContact CG2-OE2 3.24Å; V35-A132 HydrophobicContact CG1-CB 3.42Å; V35-A132 VanDerWaalsContact CG1-CB 3.42Å; V35-I134 HydrophobicContact CB-CD1 4.27Å; V35-I134 HydrophobicContact CG1-CD1 3.85Å; V35-I134 HydrophobicContact CG2-CD1 4Å
36	L	93.6	Very high	89	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	92.1	-173.9	-54.2	-179.2	0	0	0	110.8	W13 W15 A23 V34 C38 I88 V133 V135	W13-L36 HydrophobicContact CE3-CD2 4.11Å; W13-L36 HydrophobicContact CZ3-CD1 4.47Å; W15-L36 HydrophobicContact CD2-CB 4.49Å; W15-L36 HydrophobicContact CD2-CD2 3.85Å; W15-L36 HydrophobicContact CE3-CD2 4.07Å; W15-L36 HydrophobicContact CG-CD2 4.17Å; W15-L36 HydrophobicContact CH2-CB 4.44Å; W15-L36 HydrophobicContact CH2-CD1 4.08Å; W15-L36 HydrophobicContact CZ2-CB 3.84Å; W15-L36 HydrophobicContact CZ2-CD1 4.31Å; W15-L36 HydrophobicContact CZ2-CG 4.45Å; W15-L36 HydrophobicContact CZ3-CD1 4.31Å; W15-L36 HydrophobicContact CZ3-CD2 4.47Å; A23-L36 HydrophobicContact CB-CD2 3.67Å; V34-L36 HydrophobicContact CG2-CD2 3.85Å; L36-C38 PolarHBondContact O-N 2.99Å; L36-I88 HydrophobicContact CD1-CD1 4.31Å; L36-I88 HydrophobicContact CD1-CG1 4.46Å; L36-I88 HydrophobicContact CD1-CG2 3.99Å; L36-V133 WeakPolarHBondContact CA-O 3.48Å; L36-V133 HydrophobicContact CB-CB 4.33Å; L36-V133 WeakPolarHBondContact CB-O 3.32Å; L36-V133 PolarHBondContact N-O 3.11Å; L36-V133 PolarHBondContact O-N 2.97Å; L36-V135 HydrophobicContact CD1-CG2 3.71Å; L36-V135 HydrophobicContact CG-CG2 4.46Å
37	S	91.2	Very high	88.7	Confident	31 Å²	31	46.9 Å²	46.9	22%	0.217	24%	0.237	C	C	.	.			trans	-69.3	128.1	171.2	-53.7	0	0	0	0	110.2	W15	W15-S37 PolarHBondContact NE1-O 3.01Å
38	C	88.6	Confident	88.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.253	C	S	.	.			trans	-93.8	-29.8	-173.4	-63.2	0	0	0	0	112.9	W17 L36 N44 L62 W73 V75 L90	W17-C38 WeakPolarHBondContact CB-O 3.3Å; L36-C38 PolarHBondContact O-N 2.99Å; C38-N44 PolarHBondContact N-OD1 3.36Å; C38-L62 HydrophobicContact CB-CD1 4.17Å; C38-W73 HydrophobicContact CB-CB 4.3Å; C38-W73 HydrophobicContact CB-CD2 4.29Å; C38-W73 HydrophobicContact CB-CE3 4.41Å; C38-W73 HydrophobicContact CB-CG 4.27Å; C38-W73 WeakPolarHBondContact O-CH2 3.14Å; C38-W73 WeakPolarHBondContact O-CZ2 3.38Å; C38-W73 WeakPolarHBondContact O-CZ3 3.46Å; C38-V75 WeakPolarHBondContact SG-CG2 3.46Å; C38-L90 HydrophobicContact CB-CD1 4.26Å
39	A	84.8	Confident	88	Confident	10 Å²	10	51.7 Å²	51.7	8%	0.083	26%	0.261	C	S	.	.	S	Bend	trans	-136.8	-167.7	179.1	0	0	0	0	0	111.4	E43 N44 M47 W73	A39-E43 HydrophobicContact CB-CB 3.59Å; A39-E43 HydrophobicContact CB-CG 4.48Å; A39-E43 WeakPolarHBondContact CB-OE2 3.34Å; A39-N44 PolarHBondContact N-OD1 2.93Å; A39-N44 PolarHBondContact O-ND2 3.14Å; A39-M47 HydrophobicContact CB-CE 3.47Å; A39-M47 VanDerWaalsContact CB-CE 3.47Å; A39-W73 HydrophobicContact CB-CZ2 3.91Å
40	N	83.2	Confident	87.7	Confident	77 Å²	77	55.3 Å²	55.3	41%	0.412	28%	0.276	S	S	.	.			trans	-64.6	162.9	171	70.3	58.4	0	0	0	111.4	K42 E43 N44	N40-K42 PolarHBondContact O-N 3.12Å; N40-K42 VanDerWaalsContact O-N 3.15Å; N40-K42 WeakPolarHBondContact OD1-CB 3.16Å; N40-K42 PolarHBondContact OD1-N 3.19Å; N40-E43 VanDerWaalsContact ND2-CD 3.29Å; N40-E43 PolarHBondContact ND2-OE1 2.91Å; N40-E43 PolarHBondContact O-N 3.29Å; N40-E43 PolarHBondContact OD1-N 2.78Å; N40-N44 PolarHBondContact O-N 3.05Å; N40-N44 PolarHBondContact O-ND2 3.09Å
41	S	80.3	Confident	87.2	Confident	82 Å²	82	55.2 Å²	55.2	57%	0.573	28%	0.283	S	S	*	.	H	α-helix	trans	-61.2	-26.7	-174	-43.7	0	0	0	0	114.4	K45	S41-K45 VanDerWaalsContact O-CG 3.3Å; S41-K45 WeakPolarHBondContact O-CG 3.4Å
42	K	82.4	Confident	86.9	Confident	158 Å²	158	55.9 Å²	55.9	69%	0.687	29%	0.294	S	S	*	.	H	α-helix	trans	-77.2	-50.3	176.8	-66.6	-174.9	179.8	-178.2	0	110.4	N40 N44 K45 T46	N40-K42 PolarHBondContact O-N 3.12Å; N40-K42 VanDerWaalsContact O-N 3.15Å; N40-K42 WeakPolarHBondContact OD1-CB 3.16Å; N40-K42 PolarHBondContact OD1-N 3.19Å; K42-N44 PolarHBondContact O-N 2.91Å; K42-K45 PolarHBondContact O-N 2.88Å; K42-T46 PolarHBondContact O-N 3.21Å; K42-T46 PolarHBondContact O-OG1 2.65Å
43	E	84	Confident	86.3	Confident	26 Å²	26	63.3 Å²	63.3	12%	0.121	33%	0.328	C	S	.	.	H	α-helix	trans	-57.6	-48.9	178.8	-81.7	178.9	-142.1	0	0	111.2	A39 N40 K45 T46 M47 W69	A39-E43 HydrophobicContact CB-CB 3.59Å; A39-E43 HydrophobicContact CB-CG 4.48Å; A39-E43 WeakPolarHBondContact CB-OE2 3.34Å; N40-E43 VanDerWaalsContact ND2-CD 3.29Å; N40-E43 PolarHBondContact ND2-OE1 2.91Å; N40-E43 PolarHBondContact O-N 3.29Å; N40-E43 PolarHBondContact OD1-N 2.78Å; E43-K45 VanDerWaalsContact C-N 3.31Å; E43-K45 PolarHBondContact O-N 2.85Å; E43-T46 CarbonylContact O-C 3.59Å; E43-T46 PolarHBondContact O-N 3.46Å; E43-T46 PolarHBondContact O-OG1 2.91Å; E43-M47 HydrophobicContact CB-CE 4.26Å; E43-M47 WeakPolarHBondContact O-CG 3.18Å; E43-M47 PolarHBondContact O-N 3.5Å; E43-W69 HydrophobicContact CG-CD2 3.78Å; E43-W69 HydrophobicContact CG-CE3 3.34Å; E43-W69 HydrophobicContact CG-CG 4.47Å; E43-W69 HydrophobicContact CG-CH2 4.2Å; E43-W69 HydrophobicContact CG-CZ3 3.57Å; E43-W69 WeakPolarHBondContact OE1-CZ3 3.47Å
44	N	84.3	Confident	85.6	Confident	4 Å²	4	70.4 Å²	70.4	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-54.3	-49.1	179.3	-72.6	-31.3	0	0	0	111	C38 A39 N40 K42 T46 M47 Y126 A131	C38-N44 PolarHBondContact N-OD1 3.36Å; A39-N44 PolarHBondContact N-OD1 2.93Å; A39-N44 PolarHBondContact O-ND2 3.14Å; N40-N44 PolarHBondContact O-N 3.05Å; N40-N44 PolarHBondContact O-ND2 3.09Å; K42-N44 PolarHBondContact O-N 2.91Å; N44-T46 PolarHBondContact O-N 3.06Å; N44-T46 VanDerWaalsContact O-N 3.07Å; N44-M47 WeakPolarHBondContact O-CB 3.45Å; N44-M47 PolarHBondContact O-N 2.76Å; N44-Y126 PolarHBondContact O-OH 3.07Å; N44-A131 HydrophobicContact CB-CB 3.82Å; N44-A131 WeakPolarHBondContact CB-O 3.37Å
45	K	84.7	Confident	84.9	Confident	163 Å²	163	79.5 Å²	79.5	71%	0.709	40%	0.395	S	S	*	.	H	α-helix	trans	-60	-22.6	-179.3	-74	178.9	177.9	-169.8	0	114	S41 K42 E43 A131	S41-K45 VanDerWaalsContact O-CG 3.3Å; S41-K45 WeakPolarHBondContact O-CG 3.4Å; K42-K45 PolarHBondContact O-N 2.88Å; E43-K45 VanDerWaalsContact C-N 3.31Å; E43-K45 PolarHBondContact O-N 2.85Å; K45-A131 HydrophobicContact CG-CB 3.78Å
46	T	83	Confident	84.3	Confident	51 Å²	51	81.6 Å²	81.6	31%	0.313	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	13.2	-179.8	56	0	0	0	0	113.3	K42 E43 N44 A65	K42-T46 PolarHBondContact O-N 3.21Å; K42-T46 PolarHBondContact O-OG1 2.65Å; E43-T46 CarbonylContact O-C 3.59Å; E43-T46 PolarHBondContact O-N 3.46Å; E43-T46 PolarHBondContact O-OG1 2.91Å; N44-T46 PolarHBondContact O-N 3.06Å; N44-T46 VanDerWaalsContact O-N 3.07Å; T46-A65 WeakPolarHBondContact O-CB 3.49Å; T46-A65 PolarHBondContact O-N 3.14Å
47	M	85.2	Confident	84.1	Confident	15 Å²	15	82.3 Å²	82.3	7%	0.074	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.6	178.5	-70.9	176.8	-173.6	0	0	112.5	A39 E43 N44 L62 C63 W73	A39-M47 HydrophobicContact CB-CE 3.47Å; A39-M47 VanDerWaalsContact CB-CE 3.47Å; E43-M47 HydrophobicContact CB-CE 4.26Å; E43-M47 WeakPolarHBondContact O-CG 3.18Å; E43-M47 PolarHBondContact O-N 3.5Å; N44-M47 WeakPolarHBondContact O-CB 3.45Å; N44-M47 PolarHBondContact O-N 2.76Å; M47-L62 HydrophobicContact CB-CB 4.18Å; M47-L62 HydrophobicContact CB-CD2 4.34Å; M47-L62 HydrophobicContact CG-CB 4.22Å; M47-L62 HydrophobicContact SD-CB 3.65Å; M47-L62 HydrophobicContact SD-CD1 3.73Å; M47-L62 HydrophobicContact SD-CG 4.2Å; M47-C63 CarbonylContact C-O 3.58Å; M47-C63 VanDerWaalsContact CA-O 3.26Å; M47-C63 WeakPolarHBondContact CA-O 3.47Å; M47-W73 HydrophobicContact CE-CG 4.06Å
48	E	83.7	Confident	84.1	Confident	106 Å²	106	81.6 Å²	81.6	50%	0.495	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	148.2	163.7	-62.4	-175.6	164.4	0	0	110.3	L62 C63 A65	E48-L62 VanDerWaalsContact O-CA 3.29Å; E48-L62 WeakPolarHBondContact O-CA 3.34Å; E48-C63 PolarHBondContact N-O 3.16Å; E48-C63 PolarHBondContact O-N 2.84Å; E48-A65 HydrophobicContact CG-CB 4.24Å
49	I	84.9	Confident	84.4	Confident	58 Å²	58	82.5 Å²	82.5	30%	0.297	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.7	-167.2	-50.8	154.5	0	0	0	109.8	V60 L62 Y126 R128	I49-V60 HydrophobicContact CG2-CG1 4.22Å; I49-L62 HydrophobicContact CG1-CD2 4.11Å; I49-L62 HydrophobicContact CG2-CD2 4.45Å; I49-Y126 HydrophobicContact CD1-CD1 3.27Å; I49-Y126 HydrophobicContact CD1-CE1 4.06Å; I49-Y126 HydrophobicContact CD1-CG 3.92Å; I49-Y126 HydrophobicContact CG1-CD1 3.53Å; I49-Y126 HydrophobicContact CG1-CE1 4.2Å; I49-Y126 HydrophobicContact CG1-CG 3.81Å; I49-R128 HydrophobicContact CD1-CG 4.28Å
50	K	83.1	Confident	84.7	Confident	158 Å²	158	82.1 Å²	82.1	69%	0.687	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	106.9	162.8	-69.9	-177.6	179	177.2	0	108.4	G61	K50-G61 PolarHBondContact N-O 2.8Å; K50-G61 WeakPolarHBondContact O-CA 3.23Å; K50-G61 PolarHBondContact O-N 2.78Å
51	S	83.1	Confident	85	Confident	97 Å²	97	79.1 Å²	79.1	68%	0.678	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	145.1	170.9	52.9	0	0	0	0	110.4	T59	S51-T59 CarbonylContact C-O 3.54Å; S51-T59 WeakPolarHBondContact CA-O 3.24Å
52	S	86.3	Confident	85.5	Confident	61 Å²	61	75.4 Å²	75.4	43%	0.427	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.9	168	67.8	0	0	0	0	109.1	T59	S52-T59 PolarHBondContact N-O 2.86Å; S52-T59 PolarHBondContact O-N 2.94Å
53	E	81.3	Confident	85.7	Confident	158 Å²	158	69.3 Å²	69.3	74%	0.738	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.8	179.7	178.1	168.1	-175.6	0	0	109.5	L58	E53-L58 HydrophobicContact CB-CD2 3.82Å; E53-L58 HydrophobicContact CG-CD2 3.52Å
54	R	81.1	Confident	85.7	Confident	187 Å²	187	69.4 Å²	69.4	71%	0.706	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	164.6	172.2	-64.2	-174.5	179.9	-171	1.2	108.3	N56 S57	R54-N56 PolarHBondContact O-N 3Å; R54-S57 CarbonylContact C-O 3.59Å; R54-S57 PolarHBondContact N-O 3.22Å; R54-S57 CarbonylContact O-C 3.59Å; R54-S57 PolarHBondContact O-N 3.43Å
55	K	80.6	Confident	85.5	Confident	191 Å²	191	71.9 Å²	71.9	83%	0.83	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	116	175.7	-172.7	177.2	-177.3	177.7	0	110.3	S57	K55-S57 PolarHBondContact O-N 2.82Å
56	N	80.5	Confident	85.3	Confident	81 Å²	81	67 Å²	67	43%	0.433	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	15.1	179.5	-50.4	-17.2	0	0	0	115.4	R54 Q78 A79 H81	R54-N56 PolarHBondContact O-N 3Å; N56-Q78 CarbonylContact O-C 3.51Å; N56-Q78 VanDerWaalsContact O-CA 3.26Å; N56-Q78 WeakPolarHBondContact O-CA 3.31Å; N56-A79 PolarHBondContact O-N 2.92Å; N56-H81 PolarHBondContact OD1-CE1 2.74Å
57	S	88.9	Confident	84.8	Confident	14 Å²	14	72.5 Å²	72.5	10%	0.098	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	123.8	-174.7	-175.2	0	0	0	0	111.1	R54 K55 T76 V77 Q78	R54-S57 CarbonylContact C-O 3.59Å; R54-S57 PolarHBondContact N-O 3.22Å; R54-S57 CarbonylContact O-C 3.59Å; R54-S57 PolarHBondContact O-N 3.43Å; K55-S57 PolarHBondContact O-N 2.82Å; S57-T76 WeakPolarHBondContact OG-CG2 3.33Å; S57-V77 CarbonylContact C-O 3.55Å; S57-V77 VanDerWaalsContact CA-O 3.31Å; S57-V77 WeakPolarHBondContact CA-O 3.26Å; S57-Q78 PolarHBondContact OG-NE2 2.77Å
58	L	92.7	Very high	84.1	Confident	17 Å²	17	79.6 Å²	79.6	9%	0.089	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.5	177.6	-63.8	163.4	0	0	0	108.5	E53 T76 V77 L122 N123 A124	E53-L58 HydrophobicContact CB-CD2 3.82Å; E53-L58 HydrophobicContact CG-CD2 3.52Å; L58-T76 CarbonylContact O-C 3.6Å; L58-T76 WeakPolarHBondContact O-CA 3.44Å; L58-V77 HydrophobicContact CB-CB 4.44Å; L58-V77 PolarHBondContact N-O 3.4Å; L58-V77 PolarHBondContact O-N 2.76Å; L58-L122 VanDerWaalsContact CD1-O 3.3Å; L58-L122 WeakPolarHBondContact CD1-O 3.2Å; L58-N123 VanDerWaalsContact CD1-CA 3.41Å; L58-N123 HydrophobicContact CD1-CB 4.49Å; L58-A124 HydrophobicContact CB-CB 3.98Å; L58-A124 HydrophobicContact CD1-CB 4.25Å
59	T	93.5	Very high	83.3	Confident	19 Å²	19	78.2 Å²	78.2	12%	0.117	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.1	-178.5	-62.9	0	0	0	0	109.5	S51 S52 E74 V75 T76	S51-T59 CarbonylContact C-O 3.54Å; S51-T59 WeakPolarHBondContact CA-O 3.24Å; S52-T59 PolarHBondContact N-O 2.86Å; S52-T59 PolarHBondContact O-N 2.94Å; T59-E74 HydrophobicContact CG2-CG 3.53Å; T59-V75 CarbonylContact C-O 3.59Å; T59-V75 WeakPolarHBondContact CA-O 3.5Å; T59-T76 WeakPolarHBondContact CG2-OG1 3.29Å; T59-T76 PolarHBondContact OG1-OG1 2.82Å
60	V	91.7	Very high	82.9	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.006	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	99.3	174.5	-174.8	0	0	0	0	107.9	I49 L62 E74 V75 A124 V133	I49-V60 HydrophobicContact CG2-CG1 4.22Å; V60-L62 HydrophobicContact CG1-CD2 3.92Å; V60-L62 HydrophobicContact CG1-CG 4.2Å; V60-E74 WeakPolarHBondContact O-CA 3.33Å; V60-V75 HydrophobicContact CB-CB 4.48Å; V60-V75 PolarHBondContact N-O 2.95Å; V60-V75 PolarHBondContact O-N 3.01Å; V60-A124 HydrophobicContact CG2-CB 4.34Å; V60-V133 HydrophobicContact CB-CG2 4.21Å; V60-V133 HydrophobicContact CG1-CG2 3.91Å; V60-V133 HydrophobicContact CG2-CG1 4.21Å
61	G	90.4	Very high	83	Confident	15 Å²	15	73.6 Å²	73.6	16%	0.155	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	137	168.6	0	0	0	0	0	110.8	K50	K50-G61 PolarHBondContact N-O 2.8Å; K50-G61 WeakPolarHBondContact O-CA 3.23Å; K50-G61 PolarHBondContact O-N 2.78Å
62	L	89.6	Confident	83.3	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.016	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	116.5	-177.5	-59	171.7	0	0	0	108.8	C38 M47 E48 I49 V60 W73 Y126 V133	C38-L62 HydrophobicContact CB-CD1 4.17Å; M47-L62 HydrophobicContact CB-CB 4.18Å; M47-L62 HydrophobicContact CB-CD2 4.34Å; M47-L62 HydrophobicContact CG-CB 4.22Å; M47-L62 HydrophobicContact SD-CB 3.65Å; M47-L62 HydrophobicContact SD-CD1 3.73Å; M47-L62 HydrophobicContact SD-CG 4.2Å; E48-L62 VanDerWaalsContact O-CA 3.29Å; E48-L62 WeakPolarHBondContact O-CA 3.34Å; I49-L62 HydrophobicContact CG1-CD2 4.11Å; I49-L62 HydrophobicContact CG2-CD2 4.45Å; V60-L62 HydrophobicContact CG1-CD2 3.92Å; V60-L62 HydrophobicContact CG1-CG 4.2Å; L62-W73 HydrophobicContact CB-CB 4.11Å; L62-W73 HydrophobicContact CD1-CB 4.5Å; L62-W73 PolarHBondContact N-O 2.71Å; L62-W73 PolarHBondContact O-N 2.87Å; L62-W73 VanDerWaalsContact O-O 3.13Å; L62-Y126 HydrophobicContact CD1-CD2 3.81Å; L62-Y126 HydrophobicContact CD1-CE2 3.98Å; L62-Y126 HydrophobicContact CD2-CD2 3.33Å; L62-Y126 HydrophobicContact CD2-CE2 3.8Å; L62-Y126 HydrophobicContact CD2-CG 3.77Å; L62-Y126 HydrophobicContact CG-CD2 4.22Å; L62-V133 HydrophobicContact CD1-CG2 3.93Å
63	C	86.8	Confident	83.5	Confident	30 Å²	30	68.7 Å²	68.7	20%	0.203	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	148.8	174.2	50.7	0	0	0	0	110.3	M47 E48	M47-C63 CarbonylContact C-O 3.58Å; M47-C63 VanDerWaalsContact CA-O 3.26Å; M47-C63 WeakPolarHBondContact CA-O 3.47Å; E48-C63 PolarHBondContact N-O 3.16Å; E48-C63 PolarHBondContact O-N 2.84Å
64	P	83.8	Confident	84.1	Confident	28 Å²	28	64.3 Å²	64.3	18%	0.182	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	143	174.9	27.1	-29.3	0	0	0	110.8	T66 W69 N71	P64-T66 PolarHBondContact O-N 2.85Å; P64-W69 HydrophobicContact CB-CB 3.42Å; P64-W69 VanDerWaalsContact CB-CB 3.42Å; P64-W69 HydrophobicContact CB-CG 4.09Å; P64-W69 HydrophobicContact CG-CB 3.87Å; P64-W69 WeakPolarHBondContact CG-O 3.35Å; P64-N71 WeakPolarHBondContact CD-O 3.17Å
65	A	81.7	Confident	84.7	Confident	56 Å²	56	55.4 Å²	55.4	46%	0.463	29%	0.285	S	S	.	.	S	Bend	trans	-71.4	-15.2	176.4	0	0	0	0	0	113.4	T46 E48	T46-A65 WeakPolarHBondContact O-CB 3.49Å; T46-A65 PolarHBondContact O-N 3.14Å; E48-A65 HydrophobicContact CG-CB 4.24Å
66	T	79	Confident	85.4	Confident	61 Å²	61	46.9 Å²	46.9	37%	0.374	25%	0.249	S	C	.	.	S	Bend	trans	-129.8	145.4	178.1	71.3	0	0	0	0	111.2	P64 E68 W69	P64-T66 PolarHBondContact O-N 2.85Å; T66-E68 PolarHBondContact O-N 2.93Å; T66-E68 VanDerWaalsContact O-N 3.11Å; T66-W69 PolarHBondContact O-N 3.33Å; T66-W69 PolarHBondContact OG1-NE1 3.25Å
67	D	72.7	Confident	86.1	Confident	166 Å²	166	43.1 Å²	43.1	89%	0.888	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-7.6	179.9	-67.3	-33.6	0	0	0	114	W69	D67-W69 PolarHBondContact O-N 2.77Å
68	E	71	Confident	86.5	Confident	165 Å²	165	45.1 Å²	45.1	77%	0.771	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-32.6	173.5	-63.6	-172.1	162.9	0	0	111.4	T66	T66-E68 PolarHBondContact O-N 2.93Å; T66-E68 VanDerWaalsContact O-N 3.11Å
69	W	66.4	Low	86.6	Confident	77 Å²	77	45 Å²	45	29%	0.292	24%	0.238	S	C	.	.			trans	-94.2	132.1	178.5	-49.1	101.6	0	0	0	109.8	E43 P64 T66 D67	E43-W69 HydrophobicContact CG-CD2 3.78Å; E43-W69 HydrophobicContact CG-CE3 3.34Å; E43-W69 HydrophobicContact CG-CG 4.47Å; E43-W69 HydrophobicContact CG-CH2 4.2Å; E43-W69 HydrophobicContact CG-CZ3 3.57Å; E43-W69 WeakPolarHBondContact OE1-CZ3 3.47Å; P64-W69 HydrophobicContact CB-CB 3.42Å; P64-W69 VanDerWaalsContact CB-CB 3.42Å; P64-W69 HydrophobicContact CB-CG 4.09Å; P64-W69 HydrophobicContact CG-CB 3.87Å; P64-W69 WeakPolarHBondContact CG-O 3.35Å; T66-W69 PolarHBondContact O-N 3.33Å; T66-W69 PolarHBondContact OG1-NE1 3.25Å; D67-W69 PolarHBondContact O-N 2.77Å
70	R	77.2	Confident	86.7	Confident	87 Å²	87	47.8 Å²	47.8	33%	0.328	25%	0.251	S	S	.	.			trans	-108.8	4	-166.4	-80.8	179.1	176.9	-167.6	-3.3	114	M94 R95 D96 R97	R70-M94 CarbonylContact O-C 3.57Å; R70-M94 WeakPolarHBondContact O-CA 3.44Å; R70-R95 WeakPolarHBondContact CB-O 3.47Å; R70-R95 WeakPolarHBondContact CD-O 3.39Å; R70-R95 WeakPolarHBondContact CG-O 3.39Å; R70-R95 PolarHBondContact O-N 2.81Å; R70-D96 IonicContact CZ-OD1 3.01Å; R70-D96 IonicContact CZ-OD2 3.87Å; R70-D96 IonicContact NH1-OD1 2.73Å; R70-D96 PolarHBondContact NH1-OD1 3.07Å; R70-D96 IonicContact NH1-OD2 2.85Å; R70-D96 PolarHBondContact NH1-OD2 3.26Å; R70-D96 IonicContact NH2-OD1 2.84Å; R70-D96 PolarHBondContact NH2-OD1 3.31Å; R70-R97 VanDerWaalsContact NH2-CG 3.27Å
71	N	85.7	Confident	86.7	Confident	31 Å²	31	51 Å²	51	17%	0.166	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.3	-172.1	-59.6	-28.1	0	0	0	109.5	P64 W73 Q92 E93 M94	P64-N71 WeakPolarHBondContact CD-O 3.17Å; N71-W73 HydrophobicContact CB-CZ2 4.17Å; N71-Q92 HydrophobicContact CB-CG 4.38Å; N71-Q92 PolarHBondContact ND2-NE2 3.2Å; N71-E93 CarbonylContact C-O 3.57Å; N71-E93 WeakPolarHBondContact CA-O 3.29Å; N71-M94 VanDerWaalsContact OD1-CG 3.31Å; N71-M94 WeakPolarHBondContact OD1-CG 3.4Å
72	I	89	Confident	86.8	Confident	47 Å²	47	56.8 Å²	56.8	24%	0.241	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.3	165	-62.8	166	0	0	0	106.9	Q92 E93 R95	I72-Q92 CarbonylContact O-C 3.53Å; I72-Q92 WeakPolarHBondContact O-CA 3.5Å; I72-E93 HydrophobicContact CB-CB 4.34Å; I72-E93 PolarHBondContact N-O 2.6Å; I72-E93 PolarHBondContact O-N 2.89Å; I72-R95 VanDerWaalsContact CD1-CZ 3.41Å
73	W	91	Very high	87.1	Confident	9 Å²	9	61.4 Å²	61.4	3%	0.034	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	145.2	179.1	-56.6	87	0	0	0	109.6	W17 C38 A39 M47 L62 N71 L90 K91 Q92	W17-W73 AromaticContact CD1-CH2 3.67Å; W17-W73 AromaticContact CD1-CZ3 3.51Å; W17-W73 HydrophobicContact CG-CZ3 4.41Å; W17-W73 AromaticContact NE1-CZ3 3.59Å; C38-W73 HydrophobicContact CB-CB 4.3Å; C38-W73 HydrophobicContact CB-CD2 4.29Å; C38-W73 HydrophobicContact CB-CE3 4.41Å; C38-W73 HydrophobicContact CB-CG 4.27Å; C38-W73 WeakPolarHBondContact O-CH2 3.14Å; C38-W73 WeakPolarHBondContact O-CZ2 3.38Å; C38-W73 WeakPolarHBondContact O-CZ3 3.46Å; A39-W73 HydrophobicContact CB-CZ2 3.91Å; M47-W73 HydrophobicContact CE-CG 4.06Å; L62-W73 HydrophobicContact CB-CB 4.11Å; L62-W73 HydrophobicContact CD1-CB 4.5Å; L62-W73 PolarHBondContact N-O 2.71Å; L62-W73 PolarHBondContact O-N 2.87Å; L62-W73 VanDerWaalsContact O-O 3.13Å; N71-W73 HydrophobicContact CB-CZ2 4.17Å; W73-L90 HydrophobicContact CE3-CD1 4.05Å; W73-L90 HydrophobicContact CE3-CD2 3.74Å; W73-L90 HydrophobicContact CE3-CG 4.03Å; W73-L90 HydrophobicContact CZ3-CD2 3.72Å; W73-L90 HydrophobicContact CZ3-CG 4.38Å; W73-K91 CarbonylContact C-O 3.53Å; W73-K91 WeakPolarHBondContact CA-O 3.44Å; W73-Q92 HydrophobicContact CD2-CB 4.33Å; W73-Q92 HydrophobicContact CD2-CG 4.06Å; W73-Q92 HydrophobicContact CE3-CB 3.62Å; W73-Q92 HydrophobicContact CE3-CG 3.76Å; W73-Q92 HydrophobicContact CH2-CB 4.02Å; W73-Q92 HydrophobicContact CH2-CG 3.52Å; W73-Q92 HydrophobicContact CZ2-CG 3.8Å; W73-Q92 VanDerWaalsContact CZ2-NE2 3.27Å; W73-Q92 HydrophobicContact CZ3-CB 3.45Å; W73-Q92 VanDerWaalsContact CZ3-CB 3.45Å; W73-Q92 HydrophobicContact CZ3-CG 3.49Å; W73-Q92 VanDerWaalsContact CZ3-CG 3.49Å
74	E	92.7	Very high	87.4	Confident	65 Å²	65	60.6 Å²	60.6	30%	0.304	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	117.6	174.8	-179.9	-179.4	80.4	0	0	107.6	T59 V60 L90 K91	T59-E74 HydrophobicContact CG2-CG 3.53Å; V60-E74 WeakPolarHBondContact O-CA 3.33Å; E74-L90 WeakPolarHBondContact O-CA 3.16Å; E74-K91 HydrophobicContact CB-CB 4.27Å; E74-K91 PolarHBondContact N-O 2.8Å; E74-K91 PolarHBondContact O-N 2.77Å
75	V	94	Very high	88	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.3	171.3	179.4	0	0	0	0	107.9	C38 T59 V60 V77 I88 E89 L90 V133	C38-V75 WeakPolarHBondContact SG-CG2 3.46Å; T59-V75 CarbonylContact C-O 3.59Å; T59-V75 WeakPolarHBondContact CA-O 3.5Å; V60-V75 HydrophobicContact CB-CB 4.48Å; V60-V75 PolarHBondContact N-O 2.95Å; V60-V75 PolarHBondContact O-N 3.01Å; V75-V77 HydrophobicContact CG1-CG2 3.86Å; V75-I88 HydrophobicContact CG1-CG2 4.12Å; V75-E89 CarbonylContact C-O 3.55Å; V75-E89 WeakPolarHBondContact CA-O 3.41Å; V75-L90 HydrophobicContact CB-CD1 4.42Å; V75-L90 HydrophobicContact CG2-CD1 3.31Å; V75-V133 HydrophobicContact CB-CG1 4.3Å; V75-V133 HydrophobicContact CB-CG2 4.13Å; V75-V133 HydrophobicContact CG1-CG1 4.01Å; V75-V133 HydrophobicContact CG2-CB 4.26Å; V75-V133 HydrophobicContact CG2-CG2 3.77Å
76	T	95.2	Very high	88.7	Confident	13 Å²	13	58.4 Å²	58.4	8%	0.08	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.1	170.4	-65.1	0	0	0	0	109.4	S57 L58 T59 Q78 I88 E89	S57-T76 WeakPolarHBondContact OG-CG2 3.33Å; L58-T76 CarbonylContact O-C 3.6Å; L58-T76 WeakPolarHBondContact O-CA 3.44Å; T59-T76 WeakPolarHBondContact CG2-OG1 3.29Å; T59-T76 PolarHBondContact OG1-OG1 2.82Å; T76-Q78 HydrophobicContact CG2-CG 3.8Å; T76-I88 CarbonylContact O-C 3.51Å; T76-I88 WeakPolarHBondContact O-CA 3.17Å; T76-E89 PolarHBondContact N-O 3.18Å; T76-E89 PolarHBondContact O-N 3.31Å
77	V	95.9	Very high	89.5	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121	-179.7	-179.6	0	0	0	0	108.1	S57 L58 V75 I86 V87 I88 L122 A124 V135	S57-V77 CarbonylContact C-O 3.55Å; S57-V77 VanDerWaalsContact CA-O 3.31Å; S57-V77 WeakPolarHBondContact CA-O 3.26Å; L58-V77 HydrophobicContact CB-CB 4.44Å; L58-V77 PolarHBondContact N-O 3.4Å; L58-V77 PolarHBondContact O-N 2.76Å; V75-V77 HydrophobicContact CG1-CG2 3.86Å; V77-I86 HydrophobicContact CG1-CG2 3.93Å; V77-V87 CarbonylContact C-O 3.56Å; V77-V87 WeakPolarHBondContact CA-O 3.43Å; V77-I88 HydrophobicContact CB-CD1 4.02Å; V77-I88 HydrophobicContact CG1-CD1 3.71Å; V77-I88 HydrophobicContact CG2-CD1 3.57Å; V77-L122 HydrophobicContact CG1-CD2 3.78Å; V77-L122 HydrophobicContact CG1-CG 4.22Å; V77-A124 HydrophobicContact CB-CB 3.8Å; V77-A124 HydrophobicContact CG1-CB 4.25Å; V77-A124 HydrophobicContact CG2-CB 3.44Å; V77-A124 VanDerWaalsContact CG2-CB 3.44Å; V77-V135 HydrophobicContact CG1-CG1 3.96Å; V77-V135 HydrophobicContact CG1-CG2 4.47Å; V77-V135 HydrophobicContact CG2-CG2 3.83Å
78	Q	95.8	Very high	90.6	Very high	56 Å²	56	47.9 Å²	47.9	26%	0.262	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.3	-176.2	-50.9	-172.2	-50.4	0	0	111.1	N56 S57 T76 V87	N56-Q78 CarbonylContact O-C 3.51Å; N56-Q78 VanDerWaalsContact O-CA 3.26Å; N56-Q78 WeakPolarHBondContact O-CA 3.31Å; S57-Q78 PolarHBondContact OG-NE2 2.77Å; T76-Q78 HydrophobicContact CG2-CG 3.8Å; Q78-V87 HydrophobicContact CB-CB 4.29Å; Q78-V87 PolarHBondContact N-O 3.45Å; Q78-V87 PolarHBondContact O-N 3.5Å
79	A	95.8	Very high	91.7	Very high	14 Å²	14	42 Å²	42	12%	0.116	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	112.8	174.9	0	0	0	0	0	110.7	N56 H81 I119 L122	N56-A79 PolarHBondContact O-N 2.92Å; A79-H81 VanDerWaalsContact CB-CE1 3.49Å; A79-H81 WeakPolarHBondContact CB-CE1 3.42Å; A79-H81 PolarHBondContact O-N 2.82Å; A79-H81 PolarHBondContact O-ND1 3.32Å; A79-I119 HydrophobicContact CB-CD1 4.23Å; A79-I119 HydrophobicContact CB-CG1 3.96Å; A79-L122 HydrophobicContact CB-CD2 3.87Å
80	M	95.1	Very high	93	Very high	78 Å²	78	38.4 Å²	38.4	38%	0.384	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	87.4	168	-66.8	-171.8	74.8	0	0	109.7	T82 L83 H84 L85 V87	M80-T82 PolarHBondContact O-N 2.82Å; M80-L83 HydrophobicContact CE-CD1 3.85Å; M80-L83 PolarHBondContact O-N 2.9Å; M80-H84 WeakPolarHBondContact O-CA 3.37Å; M80-H84 PolarHBondContact O-N 2.77Å; M80-L85 HydrophobicContact CB-CB 4.16Å; M80-L85 PolarHBondContact N-O 3.03Å; M80-L85 PolarHBondContact O-N 2.81Å; M80-L85 VanDerWaalsContact O-N 3.14Å; M80-V87 HydrophobicContact CG-CG2 3.78Å; M80-V87 HydrophobicContact SD-CG2 3.53Å; M80-V87 VanDerWaalsContact SD-CG2 3.53Å
81	H	92.8	Very high	93.8	Very high	70 Å²	70	37.1 Å²	37.1	32%	0.324	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-57.1	-45.3	-171.3	-63.3	65.9	0	0	0	113.2	N56 A79 L83 H84 D120	N56-H81 PolarHBondContact OD1-CE1 2.74Å; A79-H81 VanDerWaalsContact CB-CE1 3.49Å; A79-H81 WeakPolarHBondContact CB-CE1 3.42Å; A79-H81 PolarHBondContact O-N 2.82Å; A79-H81 PolarHBondContact O-ND1 3.32Å; H81-L83 VanDerWaalsContact C-N 3.28Å; H81-L83 PolarHBondContact O-N 3.47Å; H81-H84 PolarHBondContact O-N 3.01Å; H81-D120 IonicContact CD2-OD1 3.22Å; H81-D120 PolarHBondContact CD2-OD1 3.24Å; H81-D120 IonicContact NE2-OD1 2.65Å; H81-D120 PolarHBondContact NE2-OD1 3.04Å
82	T	92.8	Very high	94.1	Very high	136 Å²	136	36.6 Å²	36.6	83%	0.834	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-64.7	-30.2	-177.2	51.8	0	0	0	0	113.8	M80	M80-T82 PolarHBondContact O-N 2.82Å
83	L	94.6	Very high	94.1	Very high	99 Å²	99	35.8 Å²	35.8	52%	0.518	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-102.4	-4.1	179.3	-60.6	178.1	0	0	0	112.4	M80 H81 L85	M80-L83 HydrophobicContact CE-CD1 3.85Å; M80-L83 PolarHBondContact O-N 2.9Å; H81-L83 VanDerWaalsContact C-N 3.28Å; H81-L83 PolarHBondContact O-N 3.47Å; L83-L85 HydrophobicContact CB-CB 4.49Å; L83-L85 HydrophobicContact CB-CD1 3.79Å; L83-L85 HydrophobicContact CB-CG 3.7Å; L83-L85 HydrophobicContact CD1-CD1 3.95Å; L83-L85 PolarHBondContact O-N 2.8Å
84	H	93.4	Very high	93.9	Very high	13 Å²	13	37.3 Å²	37.3	6%	0.06	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	43.7	-173.2	-153.6	86.7	0	0	0	112.1	M80 H81 L113 P114 L115 Y117 R140	M80-H84 WeakPolarHBondContact O-CA 3.37Å; M80-H84 PolarHBondContact O-N 2.77Å; H81-H84 PolarHBondContact O-N 3.01Å; H84-L113 PolarHBondContact CD2-O 2.83Å; H84-L113 PolarHBondContact O-N 2.9Å; H84-L113 VanDerWaalsContact O-N 3.14Å; H84-P114 PolarHBondContact NE2-O 2.82Å; H84-L115 HydrophobicContact CB-CD2 4.07Å; H84-Y117 PolarHBondContact CE1-O 3.46Å; H84-Y117 PolarHBondContact NE2-O 2.83Å; H84-R140 PolarHBondContact CE1-NH2 2.73Å
85	L	96.2	Very high	93.4	Very high	39 Å²	39	39.2 Å²	39.2	20%	0.204	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.1	179.8	-57.5	176	0	0	0	111.4	M80 L83 A110 Y111 R112	M80-L85 HydrophobicContact CB-CB 4.16Å; M80-L85 PolarHBondContact N-O 3.03Å; M80-L85 PolarHBondContact O-N 2.81Å; M80-L85 VanDerWaalsContact O-N 3.14Å; L83-L85 HydrophobicContact CB-CB 4.49Å; L83-L85 HydrophobicContact CB-CD1 3.79Å; L83-L85 HydrophobicContact CB-CG 3.7Å; L83-L85 HydrophobicContact CD1-CD1 3.95Å; L83-L85 PolarHBondContact O-N 2.8Å; L85-A110 HydrophobicContact CD1-CB 4.49Å; L85-Y111 CarbonylContact C-O 3.49Å; L85-Y111 WeakPolarHBondContact CA-O 3.26Å; L85-R112 HydrophobicContact CD2-CB 3.76Å; L85-R112 HydrophobicContact CD2-CG 4.12Å
86	I	95.9	Very high	92.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.8	164.6	-59	167.6	0	0	0	107.6	W13 F32 V77 I88 A110 Y111 L113 L122 V135	W13-I86 HydrophobicContact CH2-CB 4.2Å; W13-I86 HydrophobicContact CH2-CD1 4.01Å; W13-I86 HydrophobicContact CH2-CG2 3.88Å; W13-I86 HydrophobicContact CZ2-CD1 4.11Å; F32-I86 HydrophobicContact CD1-CD1 4.39Å; F32-I86 HydrophobicContact CE1-CD1 3.89Å; V77-I86 HydrophobicContact CG1-CG2 3.93Å; I86-I88 HydrophobicContact CG2-CD1 3.58Å; I86-I88 HydrophobicContact CG2-CG1 4.12Å; I86-A110 CarbonylContact O-C 3.47Å; I86-A110 WeakPolarHBondContact O-CA 3.45Å; I86-Y111 PolarHBondContact N-O 2.83Å; I86-Y111 PolarHBondContact O-N 2.74Å; I86-L113 HydrophobicContact CD1-CB 4.06Å; I86-L113 HydrophobicContact CD1-CD1 3.92Å; I86-L113 HydrophobicContact CD1-CD2 4.37Å; I86-L113 HydrophobicContact CD1-CG 4.34Å; I86-L113 HydrophobicContact CG1-CB 4.27Å; I86-L122 HydrophobicContact CD1-CD1 3.55Å; I86-L122 HydrophobicContact CG1-CD1 3.79Å; I86-L122 HydrophobicContact CG1-CD2 4Å; I86-L122 HydrophobicContact CG2-CD1 4.37Å; I86-L122 HydrophobicContact CG2-CD2 4.13Å; I86-V135 HydrophobicContact CG2-CG1 4.42Å
87	V	96	Very high	91.2	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.03	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.4	174.2	-174.8	0	0	0	0	109	V77 Q78 M80 R108 K109 A110	V77-V87 CarbonylContact C-O 3.56Å; V77-V87 WeakPolarHBondContact CA-O 3.43Å; Q78-V87 HydrophobicContact CB-CB 4.29Å; Q78-V87 PolarHBondContact N-O 3.45Å; Q78-V87 PolarHBondContact O-N 3.5Å; M80-V87 HydrophobicContact CG-CG2 3.78Å; M80-V87 HydrophobicContact SD-CG2 3.53Å; M80-V87 VanDerWaalsContact SD-CG2 3.53Å; V87-R108 HydrophobicContact CG1-CG 3.9Å; V87-K109 CarbonylContact C-O 3.55Å; V87-K109 WeakPolarHBondContact CA-O 3.49Å; V87-A110 HydrophobicContact CG2-CB 4.05Å
88	I	95.5	Very high	90.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.6	176.3	-49.9	-65.3	0	0	0	108.8	W13 W15 L36 V75 T76 V77 I86 R108 K109 Y111 V135	W13-I88 HydrophobicContact CE3-CG1 4.16Å; W13-I88 HydrophobicContact CH2-CD1 4.33Å; W13-I88 HydrophobicContact CH2-CG1 4.25Å; W13-I88 HydrophobicContact CZ3-CD1 3.82Å; W13-I88 HydrophobicContact CZ3-CG1 3.53Å; W15-I88 HydrophobicContact CH2-CG2 3.59Å; W15-I88 HydrophobicContact CZ3-CB 4.27Å; W15-I88 HydrophobicContact CZ3-CG2 3.46Å; W15-I88 VanDerWaalsContact CZ3-CG2 3.46Å; L36-I88 HydrophobicContact CD1-CD1 4.31Å; L36-I88 HydrophobicContact CD1-CG1 4.46Å; L36-I88 HydrophobicContact CD1-CG2 3.99Å; V75-I88 HydrophobicContact CG1-CG2 4.12Å; T76-I88 CarbonylContact O-C 3.51Å; T76-I88 WeakPolarHBondContact O-CA 3.17Å; V77-I88 HydrophobicContact CB-CD1 4.02Å; V77-I88 HydrophobicContact CG1-CD1 3.71Å; V77-I88 HydrophobicContact CG2-CD1 3.57Å; I86-I88 HydrophobicContact CG2-CD1 3.58Å; I86-I88 HydrophobicContact CG2-CG1 4.12Å; I88-R108 CarbonylContact O-C 3.59Å; I88-R108 WeakPolarHBondContact O-CA 3.32Å; I88-K109 PolarHBondContact N-O 2.76Å; I88-K109 PolarHBondContact O-N 3.38Å; I88-Y111 HydrophobicContact CB-CE2 4.46Å; I88-Y111 HydrophobicContact CG1-CD2 4.13Å; I88-Y111 HydrophobicContact CG1-CE2 4.1Å; I88-V135 HydrophobicContact CD1-CG2 4.07Å
89	E	95	Very high	89	Confident	43 Å²	43	57.8 Å²	57.8	20%	0.201	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122	169.1	-173.5	171.6	110.8	0	0	108.5	V75 T76 I106 I107 R108	V75-E89 CarbonylContact C-O 3.55Å; V75-E89 WeakPolarHBondContact CA-O 3.41Å; T76-E89 PolarHBondContact N-O 3.18Å; T76-E89 PolarHBondContact O-N 3.31Å; E89-I106 HydrophobicContact CG-CG2 3.72Å; E89-I107 WeakPolarHBondContact CA-O 3.18Å; E89-R108 HydrophobicContact CB-CG 4.36Å; E89-R108 HydrophobicContact CG-CB 4.44Å; E89-R108 IonicContact OE2-CZ 3.49Å; E89-R108 IonicContact OE2-NH1 2.79Å; E89-R108 PolarHBondContact OE2-NH1 2.76Å
90	L	93.9	Very high	88.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.2	165.7	-175.3	71.1	0	0	0	108.7	W15 W17 C38 W73 E74 V75 I106 I107	W15-L90 HydrophobicContact CH2-CB 3.71Å; W15-L90 HydrophobicContact CH2-CD2 4.35Å; W15-L90 HydrophobicContact CH2-CG 4.44Å; W15-L90 HydrophobicContact CZ2-CB 4.14Å; W15-L90 HydrophobicContact CZ2-CD1 4.44Å; W15-L90 HydrophobicContact CZ2-CD2 3.92Å; W15-L90 HydrophobicContact CZ2-CG 4.39Å; W17-L90 HydrophobicContact CB-CD2 4.49Å; W17-L90 HydrophobicContact CD2-CD2 3.3Å; W17-L90 HydrophobicContact CE3-CD2 3.65Å; W17-L90 HydrophobicContact CG-CD2 3.7Å; W17-L90 HydrophobicContact CH2-CB 3.44Å; W17-L90 VanDerWaalsContact CH2-CB 3.44Å; W17-L90 HydrophobicContact CH2-CD2 3.58Å; W17-L90 HydrophobicContact CH2-CG 4.05Å; W17-L90 HydrophobicContact CZ2-CB 3.75Å; W17-L90 HydrophobicContact CZ2-CD2 3.32Å; W17-L90 HydrophobicContact CZ2-CG 3.92Å; W17-L90 HydrophobicContact CZ3-CB 4.04Å; W17-L90 HydrophobicContact CZ3-CD2 3.8Å; C38-L90 HydrophobicContact CB-CD1 4.26Å; W73-L90 HydrophobicContact CE3-CD1 4.05Å; W73-L90 HydrophobicContact CE3-CD2 3.74Å; W73-L90 HydrophobicContact CE3-CG 4.03Å; W73-L90 HydrophobicContact CZ3-CD2 3.72Å; W73-L90 HydrophobicContact CZ3-CG 4.38Å; E74-L90 WeakPolarHBondContact O-CA 3.16Å; V75-L90 HydrophobicContact CB-CD1 4.42Å; V75-L90 HydrophobicContact CG2-CD1 3.31Å; L90-I106 WeakPolarHBondContact O-CA 3.3Å; L90-I107 PolarHBondContact N-O 2.86Å; L90-I107 PolarHBondContact O-N 2.79Å
91	K	93.3	Very high	87.2	Confident	60 Å²	60	62.7 Å²	62.7	26%	0.261	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.8	172.1	176	-179.4	170.6	-165.7	0	108.9	W73 E74 T104 R105 I106	W73-K91 CarbonylContact C-O 3.53Å; W73-K91 WeakPolarHBondContact CA-O 3.44Å; E74-K91 HydrophobicContact CB-CB 4.27Å; E74-K91 PolarHBondContact N-O 2.8Å; E74-K91 PolarHBondContact O-N 2.77Å; K91-T104 HydrophobicContact CD-CG2 4.44Å; K91-T104 HydrophobicContact CG-CG2 3.91Å; K91-R105 WeakPolarHBondContact CA-O 3.3Å; K91-I106 HydrophobicContact CB-CG1 4.05Å; K91-I106 HydrophobicContact CD-CG1 4.49Å; K91-I106 HydrophobicContact CG-CD1 4.48Å; K91-I106 HydrophobicContact CG-CG1 3.89Å
92	Q	91.7	Very high	86.6	Confident	21 Å²	21	67.2 Å²	67.2	10%	0.098	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	116.9	171.7	-174.8	-172	17.2	0	0	107.9	N71 I72 W73 M94 T104 R105	N71-Q92 HydrophobicContact CB-CG 4.38Å; N71-Q92 PolarHBondContact ND2-NE2 3.2Å; I72-Q92 CarbonylContact O-C 3.53Å; I72-Q92 WeakPolarHBondContact O-CA 3.5Å; W73-Q92 HydrophobicContact CD2-CB 4.33Å; W73-Q92 HydrophobicContact CD2-CG 4.06Å; W73-Q92 HydrophobicContact CE3-CB 3.62Å; W73-Q92 HydrophobicContact CE3-CG 3.76Å; W73-Q92 HydrophobicContact CH2-CB 4.02Å; W73-Q92 HydrophobicContact CH2-CG 3.52Å; W73-Q92 HydrophobicContact CZ2-CG 3.8Å; W73-Q92 VanDerWaalsContact CZ2-NE2 3.27Å; W73-Q92 HydrophobicContact CZ3-CB 3.45Å; W73-Q92 VanDerWaalsContact CZ3-CB 3.45Å; W73-Q92 HydrophobicContact CZ3-CG 3.49Å; W73-Q92 VanDerWaalsContact CZ3-CG 3.49Å; Q92-M94 HydrophobicContact CG-CG 4.26Å; Q92-T104 CarbonylContact O-C 3.59Å; Q92-T104 VanDerWaalsContact O-CA 3.32Å; Q92-T104 WeakPolarHBondContact O-CA 3.45Å; Q92-R105 HydrophobicContact CB-CB 4.34Å; Q92-R105 PolarHBondContact N-O 3.37Å; Q92-R105 PolarHBondContact O-N 3.04Å
93	E	90.2	Very high	86.4	Confident	30 Å²	30	66.6 Å²	66.6	14%	0.14	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	111.3	170	-173.1	-177.2	161.1	0	0	109	N71 I72 R95	N71-E93 CarbonylContact C-O 3.57Å; N71-E93 WeakPolarHBondContact CA-O 3.29Å; I72-E93 HydrophobicContact CB-CB 4.34Å; I72-E93 PolarHBondContact N-O 2.6Å; I72-E93 PolarHBondContact O-N 2.89Å; E93-R95 HydrophobicContact CG-CG 4.29Å; E93-R95 IonicContact OE1-CZ 2.93Å; E93-R95 VanDerWaalsContact OE1-CZ 3.24Å; E93-R95 IonicContact OE1-NE 3.66Å; E93-R95 PolarHBondContact OE1-NE 3.48Å; E93-R95 IonicContact OE1-NH2 3.06Å; E93-R95 PolarHBondContact OE1-NH2 3Å; E93-R95 IonicContact OE2-NH2 3.66Å; E93-R95 PolarHBondContact OE2-NH2 3.36Å
94	M	87.4	Confident	86.2	Confident	41 Å²	41	65.3 Å²	65.3	20%	0.202	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.7	174.1	-58.8	172.6	-95.2	0	0	109	R70 N71 Q92 R102 K103 R105	R70-M94 CarbonylContact O-C 3.57Å; R70-M94 WeakPolarHBondContact O-CA 3.44Å; N71-M94 VanDerWaalsContact OD1-CG 3.31Å; N71-M94 WeakPolarHBondContact OD1-CG 3.4Å; Q92-M94 HydrophobicContact CG-CG 4.26Å; M94-R102 WeakPolarHBondContact O-CA 3.45Å; M94-K103 HydrophobicContact CB-CB 4.36Å; M94-K103 WeakPolarHBondContact CB-O 3.37Å; M94-K103 HydrophobicContact CE-CB 3.83Å; M94-K103 HydrophobicContact CE-CD 3.6Å; M94-K103 HydrophobicContact CE-CG 3.54Å; M94-K103 PolarHBondContact N-O 3.5Å; M94-K103 PolarHBondContact O-N 2.74Å; M94-K103 HydrophobicContact SD-CD 4.49Å; M94-R105 HydrophobicContact CE-CB 4.45Å
95	R	80.7	Confident	86.1	Confident	105 Å²	105	70.5 Å²	70.5	40%	0.396	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.2	177.8	-63.9	-173.8	171.9	174.7	6.4	110.2	R70 I72 E93	R70-R95 WeakPolarHBondContact CB-O 3.47Å; R70-R95 WeakPolarHBondContact CD-O 3.39Å; R70-R95 WeakPolarHBondContact CG-O 3.39Å; R70-R95 PolarHBondContact O-N 2.81Å; I72-R95 VanDerWaalsContact CD1-CZ 3.41Å; E93-R95 HydrophobicContact CG-CG 4.29Å; E93-R95 IonicContact OE1-CZ 2.93Å; E93-R95 VanDerWaalsContact OE1-CZ 3.24Å; E93-R95 IonicContact OE1-NE 3.66Å; E93-R95 PolarHBondContact OE1-NE 3.48Å; E93-R95 IonicContact OE1-NH2 3.06Å; E93-R95 PolarHBondContact OE1-NH2 3Å; E93-R95 IonicContact OE2-NH2 3.66Å; E93-R95 PolarHBondContact OE2-NH2 3.36Å
96	D	74.5	Confident	86	Confident	67 Å²	67	72.9 Å²	72.9	36%	0.358	35%	0.352	S	S	.	.			trans	-85.7	173.3	167.7	-154.2	-50.5	0	0	0	110.2	R70 S98 F101	R70-D96 IonicContact CZ-OD1 3.01Å; R70-D96 IonicContact CZ-OD2 3.87Å; R70-D96 IonicContact NH1-OD1 2.73Å; R70-D96 PolarHBondContact NH1-OD1 3.07Å; R70-D96 IonicContact NH1-OD2 2.85Å; R70-D96 PolarHBondContact NH1-OD2 3.26Å; R70-D96 IonicContact NH2-OD1 2.84Å; R70-D96 PolarHBondContact NH2-OD1 3.31Å; D96-S98 PolarHBondContact O-N 2.8Å; D96-F101 HydrophobicContact CB-CB 3.77Å; D96-F101 HydrophobicContact CB-CD1 3.75Å; D96-F101 HydrophobicContact CB-CG 4.07Å; D96-F101 PolarHBondContact N-O 3.04Å
97	R	69.8	Low	85.8	Confident	224 Å²	224	74.4 Å²	74.4	85%	0.845	36%	0.36	S	S	*	.	S	Bend	trans	-54.1	-28.6	160.2	-79.5	172.1	-172.5	-175.4	2.6	111.9	R70 P99	R70-R97 VanDerWaalsContact NH2-CG 3.27Å; R97-P99 WeakPolarHBondContact O-CD 3.27Å
98	S	75.2	Confident	85.7	Confident	57 Å²	57	79.9 Å²	79.9	40%	0.399	38%	0.38	S	S	.	.	S	Bend	trans	-77.1	119.6	172.2	-179.4	0	0	0	0	110.3	D96 A100 F101	D96-S98 PolarHBondContact O-N 2.8Å; S98-A100 PolarHBondContact O-N 2.71Å; S98-A100 VanDerWaalsContact O-N 3.09Å; S98-A100 PolarHBondContact OG-N 2.77Å; S98-F101 PolarHBondContact O-N 3.35Å
99	P	69.6	Low	85.7	Confident	112 Å²	112	83.9 Å²	83.9	73%	0.727	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-19.1	176.6	24.9	-33.1	0	0	0	112.9	R97	R97-P99 WeakPolarHBondContact O-CD 3.27Å
100	A	76.6	Confident	85.7	Confident	93 Å²	93	84.6 Å²	84.6	77%	0.769	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-21.6	176.6	0	0	0	0	0	113.2	S98 R102	S98-A100 PolarHBondContact O-N 2.71Å; S98-A100 VanDerWaalsContact O-N 3.09Å; S98-A100 PolarHBondContact OG-N 2.77Å; A100-R102 PolarHBondContact O-N 3.39Å
101	F	76	Confident	85.7	Confident	102 Å²	102	86 Å²	86	45%	0.447	42%	0.416	S	S	.	.			trans	-95.2	102.1	178.8	-172.4	-92	0	0	0	110.7	D96 S98 K103	D96-F101 HydrophobicContact CB-CB 3.77Å; D96-F101 HydrophobicContact CB-CD1 3.75Å; D96-F101 HydrophobicContact CB-CG 4.07Å; D96-F101 PolarHBondContact N-O 3.04Å; S98-F101 PolarHBondContact O-N 3.35Å; F101-K103 HydrophobicContact CE1-CB 4.18Å; F101-K103 HydrophobicContact CZ-CB 4.04Å
102	R	80.7	Confident	85.7	Confident	164 Å²	164	91.6 Å²	91.6	62%	0.619	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	118	166.6	-62.8	-174	-172.9	-171.7	0.4	108.7	M94 A100	M94-R102 WeakPolarHBondContact O-CA 3.45Å; A100-R102 PolarHBondContact O-N 3.39Å
103	K	88.4	Confident	85.8	Confident	124 Å²	124	90.7 Å²	90.7	54%	0.539	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.8	173.7	-172.6	177.7	176.6	177.7	0	109	M94 F101	M94-K103 HydrophobicContact CB-CB 4.36Å; M94-K103 WeakPolarHBondContact CB-O 3.37Å; M94-K103 HydrophobicContact CE-CB 3.83Å; M94-K103 HydrophobicContact CE-CD 3.6Å; M94-K103 HydrophobicContact CE-CG 3.54Å; M94-K103 PolarHBondContact N-O 3.5Å; M94-K103 PolarHBondContact O-N 2.74Å; M94-K103 HydrophobicContact SD-CD 4.49Å; F101-K103 HydrophobicContact CE1-CB 4.18Å; F101-K103 HydrophobicContact CZ-CB 4.04Å
104	T	90.7	Very high	85.9	Confident	71 Å²	71	91.7 Å²	91.7	44%	0.436	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.8	177.5	-57.3	0	0	0	0	109.6	K91 Q92 I106	K91-T104 HydrophobicContact CD-CG2 4.44Å; K91-T104 HydrophobicContact CG-CG2 3.91Å; Q92-T104 CarbonylContact O-C 3.59Å; Q92-T104 VanDerWaalsContact O-CA 3.32Å; Q92-T104 WeakPolarHBondContact O-CA 3.45Å; T104-I106 HydrophobicContact CG2-CD1 4.04Å; T104-I106 HydrophobicContact CG2-CG1 3.91Å
105	R	91.2	Very high	86.2	Confident	122 Å²	122	94.4 Å²	94.4	46%	0.46	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.4	168.2	-177.9	-178.1	-177.8	-173.6	0.7	108.2	K91 Q92 M94	K91-R105 WeakPolarHBondContact CA-O 3.3Å; Q92-R105 HydrophobicContact CB-CB 4.34Å; Q92-R105 PolarHBondContact N-O 3.37Å; Q92-R105 PolarHBondContact O-N 3.04Å; M94-R105 HydrophobicContact CE-CB 4.45Å
106	I	93.4	Very high	86.8	Confident	90 Å²	90	92.4 Å²	92.4	46%	0.462	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.8	177.6	-63.2	161.4	0	0	0	108	E89 L90 K91 T104	E89-I106 HydrophobicContact CG-CG2 3.72Å; L90-I106 WeakPolarHBondContact O-CA 3.3Å; K91-I106 HydrophobicContact CB-CG1 4.05Å; K91-I106 HydrophobicContact CD-CG1 4.49Å; K91-I106 HydrophobicContact CG-CD1 4.48Å; K91-I106 HydrophobicContact CG-CG1 3.89Å; T104-I106 HydrophobicContact CG2-CD1 4.04Å; T104-I106 HydrophobicContact CG2-CG1 3.91Å
107	I	92.5	Very high	87.7	Confident	32 Å²	32	90 Å²	90	16%	0.164	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.8	167.3	-62	-177.5	0	0	0	106.7	P16 W17 E89 L90 K109	P16-I107 HydrophobicContact CG-CD1 3.58Å; W17-I107 HydrophobicContact CH2-CB 3.35Å; W17-I107 HydrophobicContact CH2-CD1 3.64Å; W17-I107 HydrophobicContact CH2-CG1 3.86Å; W17-I107 HydrophobicContact CH2-CG2 3.66Å; W17-I107 HydrophobicContact CZ2-CB 3.64Å; W17-I107 HydrophobicContact CZ2-CD1 3.35Å; W17-I107 HydrophobicContact CZ2-CG1 3.64Å; W17-I107 HydrophobicContact CZ2-CG2 4.36Å; W17-I107 HydrophobicContact CZ3-CB 4.44Å; W17-I107 HydrophobicContact CZ3-CD1 4.44Å; W17-I107 HydrophobicContact CZ3-CG2 4.34Å; E89-I107 WeakPolarHBondContact CA-O 3.18Å; L90-I107 PolarHBondContact N-O 2.86Å; L90-I107 PolarHBondContact O-N 2.79Å; I107-K109 HydrophobicContact CG2-CG 4.2Å
108	R	94.7	Very high	88.9	Confident	120 Å²	120	81.2 Å²	81.2	45%	0.453	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.5	-179.9	-171.8	178.2	179.1	100.2	2.5	109	V87 I88 E89	V87-R108 HydrophobicContact CG1-CG 3.9Å; I88-R108 CarbonylContact O-C 3.59Å; I88-R108 WeakPolarHBondContact O-CA 3.32Å; E89-R108 HydrophobicContact CB-CG 4.36Å; E89-R108 HydrophobicContact CG-CB 4.44Å; E89-R108 IonicContact OE2-CZ 3.49Å; E89-R108 IonicContact OE2-NH1 2.79Å; E89-R108 PolarHBondContact OE2-NH1 2.76Å
109	K	94.6	Very high	89.9	Confident	83 Å²	83	78.8 Å²	78.8	36%	0.361	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146.2	-179.6	-64.4	-66	-177	-180	0	109.5	V87 I88 I107 Y111	V87-K109 CarbonylContact C-O 3.55Å; V87-K109 WeakPolarHBondContact CA-O 3.49Å; I88-K109 PolarHBondContact N-O 2.76Å; I88-K109 PolarHBondContact O-N 3.38Å; I107-K109 HydrophobicContact CG2-CG 4.2Å; K109-Y111 HydrophobicContact CB-CD2 4.47Å; K109-Y111 HydrophobicContact CB-CE1 4.44Å; K109-Y111 HydrophobicContact CB-CE2 3.54Å; K109-Y111 VanDerWaalsContact CB-OH 3.3Å; K109-Y111 WeakPolarHBondContact CB-OH 3.34Å
110	A	94.6	Very high	91	Very high	59 Å²	59	78.9 Å²	78.9	49%	0.488	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.7	175.1	0	0	0	0	0	108.8	L85 I86 V87	L85-A110 HydrophobicContact CD1-CB 4.49Å; I86-A110 CarbonylContact O-C 3.47Å; I86-A110 WeakPolarHBondContact O-CA 3.45Å; V87-A110 HydrophobicContact CG2-CB 4.05Å
111	Y	94.5	Very high	91.9	Very high	28 Å²	28	76.6 Å²	76.6	11%	0.11	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.1	-178.7	-56.5	-76.7	0	0	0	109.5	W13 H14 L85 I86 I88 K109	W13-Y111 HydrophobicContact CB-CD1 4.04Å; W13-Y111 HydrophobicContact CB-CE1 3.48Å; W13-Y111 VanDerWaalsContact CB-CE1 3.48Å; W13-Y111 HydrophobicContact CB-CE2 4.09Å; W13-Y111 VanDerWaalsContact CB-CZ 3.5Å; W13-Y111 AromaticContact CD1-CD1 3.26Å; W13-Y111 AromaticContact CD1-CE1 3.65Å; W13-Y111 AromaticContact CD1-CG 3.6Å; W13-Y111 AromaticContact CD2-CD1 3.79Å; W13-Y111 HydrophobicContact CD2-CD1 3.79Å; W13-Y111 AromaticContact CD2-CD2 3.33Å; W13-Y111 HydrophobicContact CD2-CD2 3.33Å; W13-Y111 HydrophobicContact CD2-CE1 4Å; W13-Y111 AromaticContact CD2-CE2 3.57Å; W13-Y111 HydrophobicContact CD2-CE2 3.57Å; W13-Y111 AromaticContact CD2-CG 3.44Å; W13-Y111 HydrophobicContact CD2-CG 3.44Å; W13-Y111 VanDerWaalsContact CD2-CG 3.44Å; W13-Y111 AromaticContact CD2-CZ 3.88Å; W13-Y111 AromaticContact CE2-CD1 3.88Å; W13-Y111 AromaticContact CE2-CD2 3.56Å; W13-Y111 AromaticContact CE2-CG 3.31Å; W13-Y111 AromaticContact CE3-CD2 3.45Å; W13-Y111 HydrophobicContact CE3-CD2 3.45Å; W13-Y111 VanDerWaalsContact CE3-CD2 3.45Å; W13-Y111 AromaticContact CE3-CE2 3.49Å; W13-Y111 HydrophobicContact CE3-CE2 3.49Å; W13-Y111 VanDerWaalsContact CE3-CE2 3.49Å; W13-Y111 HydrophobicContact CE3-CG 4.06Å; W13-Y111 AromaticContact CG-CD1 3.43Å; W13-Y111 HydrophobicContact CG-CD1 3.43Å; W13-Y111 VanDerWaalsContact CG-CD1 3.43Å; W13-Y111 AromaticContact CG-CD2 3.86Å; W13-Y111 HydrophobicContact CG-CD2 3.86Å; W13-Y111 AromaticContact CG-CE1 3.41Å; W13-Y111 HydrophobicContact CG-CE1 3.41Å; W13-Y111 VanDerWaalsContact CG-CE1 3.41Å; W13-Y111 AromaticContact CG-CE2 3.84Å; W13-Y111 HydrophobicContact CG-CE2 3.84Å; W13-Y111 AromaticContact CG-CG 3.65Å; W13-Y111 HydrophobicContact CG-CG 3.65Å; W13-Y111 AromaticContact CG-CZ 3.61Å; W13-Y111 HydrophobicContact CH2-CD2 4.01Å; W13-Y111 HydrophobicContact CH2-CG 4.43Å; W13-Y111 AromaticContact CZ2-CD2 3.9Å; W13-Y111 HydrophobicContact CZ2-CD2 3.9Å; W13-Y111 AromaticContact CZ2-CG 3.86Å; W13-Y111 HydrophobicContact CZ2-CG 3.86Å; W13-Y111 AromaticContact CZ3-CD2 3.79Å; W13-Y111 HydrophobicContact CZ3-CD2 3.79Å; W13-Y111 HydrophobicContact CZ3-CE2 4.14Å; W13-Y111 AromaticContact NE1-CD1 3.55Å; W13-Y111 AromaticContact NE1-CG 3.41Å; H14-Y111 PolarHBondContact N-OH 2.84Å; H14-Y111 PolarHBondContact O-OH 2.85Å; L85-Y111 CarbonylContact C-O 3.49Å; L85-Y111 WeakPolarHBondContact CA-O 3.26Å; I86-Y111 PolarHBondContact N-O 2.83Å; I86-Y111 PolarHBondContact O-N 2.74Å; I88-Y111 HydrophobicContact CB-CE2 4.46Å; I88-Y111 HydrophobicContact CG1-CD2 4.13Å; I88-Y111 HydrophobicContact CG1-CE2 4.1Å; K109-Y111 HydrophobicContact CB-CD2 4.47Å; K109-Y111 HydrophobicContact CB-CE1 4.44Å; K109-Y111 HydrophobicContact CB-CE2 3.54Å; K109-Y111 VanDerWaalsContact CB-OH 3.3Å; K109-Y111 WeakPolarHBondContact CB-OH 3.34Å
112	R	93.4	Very high	92.8	Very high	179 Å²	179	72.8 Å²	72.8	68%	0.675	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	124	176.2	-170.4	171	-174.8	167.7	1.1	109.3	L85	L85-R112 HydrophobicContact CD2-CB 3.76Å; L85-R112 HydrophobicContact CD2-CG 4.12Å
113	L	93.4	Very high	93.4	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.005	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-76	137.5	168.6	-176.5	63	0	0	0	107.6	F32 H84 I86 Y117 I119 A137	F32-L113 HydrophobicContact CB-CD1 3.99Å; F32-L113 HydrophobicContact CD1-CD1 3.65Å; F32-L113 HydrophobicContact CD2-CD1 4.29Å; F32-L113 HydrophobicContact CE1-CD1 4.22Å; F32-L113 HydrophobicContact CG-CD1 3.69Å; H84-L113 PolarHBondContact CD2-O 2.83Å; H84-L113 PolarHBondContact O-N 2.9Å; H84-L113 VanDerWaalsContact O-N 3.14Å; I86-L113 HydrophobicContact CD1-CB 4.06Å; I86-L113 HydrophobicContact CD1-CD1 3.92Å; I86-L113 HydrophobicContact CD1-CD2 4.37Å; I86-L113 HydrophobicContact CD1-CG 4.34Å; I86-L113 HydrophobicContact CG1-CB 4.27Å; L113-Y117 HydrophobicContact CD1-CD2 4.33Å; L113-Y117 HydrophobicContact CD1-CG 4.34Å; L113-I119 HydrophobicContact CD2-CB 3.95Å; L113-I119 HydrophobicContact CD2-CG1 4.27Å; L113-A137 HydrophobicContact CD1-CB 4.25Å; L113-A137 HydrophobicContact CD2-CB 3.94Å
114	P	92.5	Very high	93.7	Very high	51 Å²	51	62.9 Å²	62.9	33%	0.331	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-62.2	142.4	170.4	-26.4	36.5	0	0	0	110.7	F27 H84 V116 Y117	F27-P114 HydrophobicContact CD1-CG 4.29Å; F27-P114 HydrophobicContact CE1-CG 3.6Å; F27-P114 HydrophobicContact CZ-CG 4.26Å; H84-P114 PolarHBondContact NE2-O 2.82Å; P114-V116 HydrophobicContact CB-CG1 4.17Å; P114-V116 PolarHBondContact O-N 3.33Å; P114-V116 VanDerWaalsContact O-N 3.1Å; P114-Y117 HydrophobicContact CB-CD2 3.96Å; P114-Y117 HydrophobicContact CB-CE2 4.28Å; P114-Y117 HydrophobicContact CG-CD2 4.23Å; P114-Y117 HydrophobicContact CG-CE2 4.39Å; P114-Y117 PolarHBondContact O-N 2.82Å
115	L	92.6	Very high	93.8	Very high	99 Å²	99	62.6 Å²	62.6	52%	0.518	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.1	-174	-67.6	176	0	0	0	113.9	H84 Y117 R140	H84-L115 HydrophobicContact CB-CD2 4.07Å; L115-Y117 PolarHBondContact O-N 3.3Å; L115-R140 WeakPolarHBondContact O-CD 3.46Å; L115-R140 PolarHBondContact O-NE 3.28Å
116	V	93.9	Very high	93.8	Very high	63 Å²	63	57.9 Å²	57.9	38%	0.382	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.6	173.5	70.7	0	0	0	0	112.2	P114 R139 R140	P114-V116 HydrophobicContact CB-CG1 4.17Å; P114-V116 PolarHBondContact O-N 3.33Å; P114-V116 VanDerWaalsContact O-N 3.1Å; V116-R139 HydrophobicContact CG2-CG 4.03Å; V116-R139 WeakPolarHBondContact O-CG 3.43Å; V116-R140 PolarHBondContact O-N 3.32Å
117	Y	94.7	Very high	93.6	Very high	15 Å²	15	54.8 Å²	54.8	6%	0.059	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-96.2	144	175.4	-58.6	-76.1	0	0	0	111.4	F27 F28 F32 H84 L113 P114 L115 R138 R139 R140	F27-Y117 WeakPolarHBondContact CA-OH 3.42Å; F27-Y117 WeakPolarHBondContact CB-OH 3.34Å; F27-Y117 HydrophobicContact CD1-CD2 4.45Å; F27-Y117 AromaticContact CD1-CE2 3.57Å; F27-Y117 HydrophobicContact CD1-CE2 3.57Å; F27-Y117 HydrophobicContact CE1-CE2 4.3Å; F28-Y117 PolarHBondContact O-OH 3.34Å; F32-Y117 HydrophobicContact CB-CD1 3.76Å; F32-Y117 HydrophobicContact CB-CD2 3.9Å; F32-Y117 HydrophobicContact CB-CE1 3.99Å; F32-Y117 HydrophobicContact CB-CE2 4.1Å; F32-Y117 HydrophobicContact CB-CG 3.73Å; H84-Y117 PolarHBondContact CE1-O 3.46Å; H84-Y117 PolarHBondContact NE2-O 2.83Å; L113-Y117 HydrophobicContact CD1-CD2 4.33Å; L113-Y117 HydrophobicContact CD1-CG 4.34Å; P114-Y117 HydrophobicContact CB-CD2 3.96Å; P114-Y117 HydrophobicContact CB-CE2 4.28Å; P114-Y117 HydrophobicContact CG-CD2 4.23Å; P114-Y117 HydrophobicContact CG-CE2 4.39Å; P114-Y117 PolarHBondContact O-N 2.82Å; L115-Y117 PolarHBondContact O-N 3.3Å; Y117-R138 CarbonylContact C-O 3.57Å; Y117-R138 WeakPolarHBondContact CA-O 3.44Å; Y117-R139 HydrophobicContact CD1-CB 4.13Å; Y117-R139 HydrophobicContact CE1-CB 4.25Å; Y117-R140 PolarHBondContact O-NE 2.84Å
118	D	94.9	Very high	93.3	Very high	40 Å²	40	62.4 Å²	62.4	21%	0.214	31%	0.308	C	S	.	.			trans	-87	111.4	-178.7	-168.3	-4.6	0	0	0	110.5	D120 T121 R138 R140	D118-D120 PolarHBondContact O-N 2.95Å; D118-D120 WeakPolarHBondContact OD1-CB 3.41Å; D118-D120 PolarHBondContact OD1-N 2.86Å; D118-T121 HydrophobicContact CB-CG2 3.92Å; D118-T121 PolarHBondContact O-N 3.15Å; D118-T121 PolarHBondContact O-OG1 2.81Å; D118-R138 PolarHBondContact N-O 3.44Å; D118-R140 HydrophobicContact CB-CG 3.71Å
119	I	94.9	Very high	93	Very high	6 Å²	6	64.4 Å²	64.4	3%	0.031	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-66.9	-24.2	179.6	-165.9	165.7	0	0	0	112.1	A79 L113 T121 L122	A79-I119 HydrophobicContact CB-CD1 4.23Å; A79-I119 HydrophobicContact CB-CG1 3.96Å; L113-I119 HydrophobicContact CD2-CB 3.95Å; L113-I119 HydrophobicContact CD2-CG1 4.27Å; I119-T121 PolarHBondContact O-N 3.43Å; I119-L122 WeakPolarHBondContact O-CB 3.4Å; I119-L122 PolarHBondContact O-N 3.14Å; I119-L122 VanDerWaalsContact O-N 3.12Å
120	D	93.5	Very high	92.7	Very high	114 Å²	114	64.2 Å²	64.2	61%	0.61	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-70.9	-19	179.8	-62.7	-12.6	0	0	0	111.2	H81 D118	H81-D120 IonicContact CD2-OD1 3.22Å; H81-D120 PolarHBondContact CD2-OD1 3.24Å; H81-D120 IonicContact NE2-OD1 2.65Å; H81-D120 PolarHBondContact NE2-OD1 3.04Å; D118-D120 PolarHBondContact O-N 2.95Å; D118-D120 WeakPolarHBondContact OD1-CB 3.41Å; D118-D120 PolarHBondContact OD1-N 2.86Å
121	T	94.4	Very high	92.5	Very high	46 Å²	46	61.7 Å²	61.7	28%	0.282	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-94.7	7.3	176.2	70.5	0	0	0	0	113.4	D118 I119 N123 R138	D118-T121 HydrophobicContact CB-CG2 3.92Å; D118-T121 PolarHBondContact O-N 3.15Å; D118-T121 PolarHBondContact O-OG1 2.81Å; I119-T121 PolarHBondContact O-N 3.43Å; T121-N123 PolarHBondContact O-N 2.93Å; T121-R138 HydrophobicContact CG2-CB 4.2Å; T121-R138 WeakPolarHBondContact OG1-CB 3.31Å; T121-R138 PolarHBondContact OG1-N 3.09Å
122	L	95.2	Very high	92.4	Very high	21 Å²	21	60.4 Å²	60.4	11%	0.11	30%	0.302	C	S	.	.			trans	-57.8	125.1	179.8	-176.4	71.3	0	0	0	110.2	L58 V77 A79 I86 I119 V135 E136 A137	L58-L122 VanDerWaalsContact CD1-O 3.3Å; L58-L122 WeakPolarHBondContact CD1-O 3.2Å; V77-L122 HydrophobicContact CG1-CD2 3.78Å; V77-L122 HydrophobicContact CG1-CG 4.22Å; A79-L122 HydrophobicContact CB-CD2 3.87Å; I86-L122 HydrophobicContact CD1-CD1 3.55Å; I86-L122 HydrophobicContact CG1-CD1 3.79Å; I86-L122 HydrophobicContact CG1-CD2 4Å; I86-L122 HydrophobicContact CG2-CD1 4.37Å; I86-L122 HydrophobicContact CG2-CD2 4.13Å; I119-L122 WeakPolarHBondContact O-CB 3.4Å; I119-L122 PolarHBondContact O-N 3.14Å; I119-L122 VanDerWaalsContact O-N 3.12Å; L122-V135 HydrophobicContact CD1-CG1 3.68Å; L122-E136 CarbonylContact C-O 3.6Å; L122-E136 WeakPolarHBondContact CA-O 3.16Å; L122-A137 HydrophobicContact CD1-CB 4.25Å
123	N	94.2	Very high	92.4	Very high	76 Å²	76	51.9 Å²	51.9	41%	0.406	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153.8	175.7	-161	4.6	0	0	0	111.3	L58 T121 V135 E136	L58-N123 VanDerWaalsContact CD1-CA 3.41Å; L58-N123 HydrophobicContact CD1-CB 4.49Å; T121-N123 PolarHBondContact O-N 2.93Å; N123-V135 CarbonylContact O-C 3.5Å; N123-V135 WeakPolarHBondContact O-CA 3.48Å; N123-E136 PolarHBondContact N-O 2.85Å; N123-E136 PolarHBondContact O-N 3.39Å
124	A	94.5	Very high	92.4	Very high	5 Å²	5	52 Å²	52	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	117.3	175.1	0	0	0	0	0	109.3	L58 V60 V77 V133 I134 V135	L58-A124 HydrophobicContact CB-CB 3.98Å; L58-A124 HydrophobicContact CD1-CB 4.25Å; V60-A124 HydrophobicContact CG2-CB 4.34Å; V77-A124 HydrophobicContact CB-CB 3.8Å; V77-A124 HydrophobicContact CG1-CB 4.25Å; V77-A124 HydrophobicContact CG2-CB 3.44Å; V77-A124 VanDerWaalsContact CG2-CB 3.44Å; A124-V133 HydrophobicContact CB-CG1 4.5Å; A124-I134 CarbonylContact C-O 3.48Å; A124-I134 VanDerWaalsContact CA-O 3.29Å; A124-I134 WeakPolarHBondContact CA-O 3.19Å; A124-V135 HydrophobicContact CB-CG2 4.28Å
125	T	92.3	Very high	92.6	Very high	64 Å²	64	49.6 Å²	49.6	39%	0.393	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	153.1	-178.4	58.9	0	0	0	0	110.1	V133 I134	T125-V133 CarbonylContact O-C 3.52Å; T125-V133 WeakPolarHBondContact O-CA 3.37Å; T125-I134 PolarHBondContact N-O 3.37Å; T125-I134 PolarHBondContact O-N 3.32Å
126	Y	90.3	Very high	92.7	Very high	23 Å²	23	47.3 Å²	47.3	9%	0.09	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.2	170.5	-176.8	-84.2	0	0	0	110	N44 I49 L62 R128 A131 A132 V133	N44-Y126 PolarHBondContact O-OH 3.07Å; I49-Y126 HydrophobicContact CD1-CD1 3.27Å; I49-Y126 HydrophobicContact CD1-CE1 4.06Å; I49-Y126 HydrophobicContact CD1-CG 3.92Å; I49-Y126 HydrophobicContact CG1-CD1 3.53Å; I49-Y126 HydrophobicContact CG1-CE1 4.2Å; I49-Y126 HydrophobicContact CG1-CG 3.81Å; L62-Y126 HydrophobicContact CD1-CD2 3.81Å; L62-Y126 HydrophobicContact CD1-CE2 3.98Å; L62-Y126 HydrophobicContact CD2-CD2 3.33Å; L62-Y126 HydrophobicContact CD2-CE2 3.8Å; L62-Y126 HydrophobicContact CD2-CG 3.77Å; L62-Y126 HydrophobicContact CG-CD2 4.22Å; Y126-R128 HydrophobicContact CD1-CG 4.43Å; Y126-R128 HydrophobicContact CE1-CG 4.21Å; Y126-A131 VanDerWaalsContact OH-CA 3.27Å; Y126-A131 WeakPolarHBondContact OH-CA 3.49Å; Y126-A132 WeakPolarHBondContact CA-O 3.49Å; Y126-V133 HydrophobicContact CD2-CG2 4.04Å
127	S	89.9	Confident	92.8	Very high	25 Å²	25	44.4 Å²	44.4	18%	0.175	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.1	171.9	174.5	0	0	0	0	109.9	D129 E130 A131 A132	S127-D129 PolarHBondContact OG-N 3.21Å; S127-E130 PolarHBondContact OG-N 3.37Å; S127-A131 VanDerWaalsContact O-CA 3.23Å; S127-A131 WeakPolarHBondContact O-CA 3.36Å; S127-A131 PolarHBondContact O-N 2.84Å; S127-A132 PolarHBondContact N-O 2.91Å; S127-A132 PolarHBondContact O-N 3.09Å
128	R	85.5	Confident	92.9	Very high	192 Å²	192	52.1 Å²	52.1	73%	0.725	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-36.6	173.2	-69.1	-172.9	-177.4	-156.1	0.6	112.1	I49 Y126 A131	I49-R128 HydrophobicContact CD1-CG 4.28Å; Y126-R128 HydrophobicContact CD1-CG 4.43Å; Y126-R128 HydrophobicContact CE1-CG 4.21Å; R128-A131 PolarHBondContact O-N 2.85Å
129	D	89.1	Confident	92.9	Very high	163 Å²	163	55.2 Å²	55.2	87%	0.872	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-40.7	-178.1	-62	-29.2	0	0	0	111.4	S127	S127-D129 PolarHBondContact OG-N 3.21Å
130	E	89.2	Confident	92.9	Very high	78 Å²	78	60.4 Å²	60.4	36%	0.364	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-10.1	176.3	-61.5	-166.6	-174.7	0	0	113.4	R33 V35 S127 A132 I134	R33-E130 IonicContact CZ-OE1 3.37Å; R33-E130 IonicContact CZ-OE2 3.8Å; R33-E130 IonicContact NH1-OE1 2.75Å; R33-E130 PolarHBondContact NH1-OE1 2.86Å; R33-E130 IonicContact NH1-OE2 3.24Å; R33-E130 IonicContact NH2-OE1 2.85Å; R33-E130 PolarHBondContact NH2-OE1 2.79Å; R33-E130 IonicContact NH2-OE2 2.76Å; R33-E130 PolarHBondContact NH2-OE2 2.85Å; V35-E130 VanDerWaalsContact CG2-OE2 3.24Å; V35-E130 WeakPolarHBondContact CG2-OE2 3.24Å; S127-E130 PolarHBondContact OG-N 3.37Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 2.79Å; E130-I134 HydrophobicContact CB-CD1 4.29Å; E130-I134 WeakPolarHBondContact OE2-CD1 3.48Å
131	A	89.9	Confident	92.5	Very high	7 Å²	7	60.5 Å²	60.5	6%	0.058	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	51.3	-174.4	0	0	0	0	0	112.1	N44 K45 Y126 S127 R128	N44-A131 HydrophobicContact CB-CB 3.82Å; N44-A131 WeakPolarHBondContact CB-O 3.37Å; K45-A131 HydrophobicContact CG-CB 3.78Å; Y126-A131 VanDerWaalsContact OH-CA 3.27Å; Y126-A131 WeakPolarHBondContact OH-CA 3.49Å; S127-A131 VanDerWaalsContact O-CA 3.23Å; S127-A131 WeakPolarHBondContact O-CA 3.36Å; S127-A131 PolarHBondContact O-N 2.84Å; R128-A131 PolarHBondContact O-N 2.85Å
132	A	92.1	Very high	91.5	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	159.8	-173.6	0	0	0	0	0	112.2	V35 Y126 S127 E130 I134	V35-A132 HydrophobicContact CG1-CB 3.42Å; V35-A132 VanDerWaalsContact CG1-CB 3.42Å; Y126-A132 WeakPolarHBondContact CA-O 3.49Å; S127-A132 PolarHBondContact N-O 2.91Å; S127-A132 PolarHBondContact O-N 3.09Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 2.79Å; A132-I134 HydrophobicContact CB-CD1 4.29Å
133	V	92.9	Very high	91.3	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	122.1	167.9	179.1	0	0	0	0	108.8	L36 V60 L62 V75 A124 T125 Y126 V135	L36-V133 WeakPolarHBondContact CA-O 3.48Å; L36-V133 HydrophobicContact CB-CB 4.33Å; L36-V133 WeakPolarHBondContact CB-O 3.32Å; L36-V133 PolarHBondContact N-O 3.11Å; L36-V133 PolarHBondContact O-N 2.97Å; V60-V133 HydrophobicContact CB-CG2 4.21Å; V60-V133 HydrophobicContact CG1-CG2 3.91Å; V60-V133 HydrophobicContact CG2-CG1 4.21Å; L62-V133 HydrophobicContact CD1-CG2 3.93Å; V75-V133 HydrophobicContact CB-CG1 4.3Å; V75-V133 HydrophobicContact CB-CG2 4.13Å; V75-V133 HydrophobicContact CG1-CG1 4.01Å; V75-V133 HydrophobicContact CG2-CB 4.26Å; V75-V133 HydrophobicContact CG2-CG2 3.77Å; A124-V133 HydrophobicContact CB-CG1 4.5Å; T125-V133 CarbonylContact O-C 3.52Å; T125-V133 WeakPolarHBondContact O-CA 3.37Å; Y126-V133 HydrophobicContact CD2-CG2 4.04Å; V133-V135 HydrophobicContact CG1-CG2 4.42Å
134	I	94.4	Very high	91.2	Very high	5 Å²	5	71.2 Å²	71.2	3%	0.026	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.7	177.7	-42.9	-55.2	0	0	0	107.6	R33 V34 V35 A124 T125 E130 A132 E136	R33-I134 HydrophobicContact CG-CG2 3.93Å; V34-I134 WeakPolarHBondContact O-CA 3.39Å; V35-I134 HydrophobicContact CB-CD1 4.27Å; V35-I134 HydrophobicContact CG1-CD1 3.85Å; V35-I134 HydrophobicContact CG2-CD1 4Å; A124-I134 CarbonylContact C-O 3.48Å; A124-I134 VanDerWaalsContact CA-O 3.29Å; A124-I134 WeakPolarHBondContact CA-O 3.19Å; T125-I134 PolarHBondContact N-O 3.37Å; T125-I134 PolarHBondContact O-N 3.32Å; E130-I134 HydrophobicContact CB-CD1 4.29Å; E130-I134 WeakPolarHBondContact OE2-CD1 3.48Å; A132-I134 HydrophobicContact CB-CD1 4.29Å; I134-E136 HydrophobicContact CG2-CG 3.56Å
135	V	95.7	Very high	91	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.4	171.5	-177.2	0	0	0	0	107.9	W13 R33 V34 L36 V77 I86 I88 L122 N123 A124 V133	W13-V135 HydrophobicContact CH2-CG1 4.43Å; R33-V135 CarbonylContact C-O 3.55Å; R33-V135 WeakPolarHBondContact CA-O 3.2Å; V34-V135 HydrophobicContact CG1-CB 3.72Å; V34-V135 HydrophobicContact CG1-CG1 4.47Å; V34-V135 HydrophobicContact CG1-CG2 4.48Å; V34-V135 PolarHBondContact N-O 3.48Å; V34-V135 PolarHBondContact O-N 3.22Å; L36-V135 HydrophobicContact CD1-CG2 3.71Å; L36-V135 HydrophobicContact CG-CG2 4.46Å; V77-V135 HydrophobicContact CG1-CG1 3.96Å; V77-V135 HydrophobicContact CG1-CG2 4.47Å; V77-V135 HydrophobicContact CG2-CG2 3.83Å; I86-V135 HydrophobicContact CG2-CG1 4.42Å; I88-V135 HydrophobicContact CD1-CG2 4.07Å; L122-V135 HydrophobicContact CD1-CG1 3.68Å; N123-V135 CarbonylContact O-C 3.5Å; N123-V135 WeakPolarHBondContact O-CA 3.48Å; A124-V135 HydrophobicContact CB-CG2 4.28Å; V133-V135 HydrophobicContact CG1-CG2 4.42Å
136	E	96	Very high	90.9	Very high	51 Å²	51	75.5 Å²	75.5	24%	0.238	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150.7	-176.8	-55.5	-166.6	141.4	0	0	110.8	K31 F32 R33 L122 N123 I134	K31-E136 IonicContact NZ-OE1 3.01Å; K31-E136 PolarHBondContact NZ-OE1 2.76Å; K31-E136 IonicContact NZ-OE2 2.91Å; K31-E136 PolarHBondContact NZ-OE2 2.81Å; F32-E136 WeakPolarHBondContact O-CA 3.37Å; F32-E136 WeakPolarHBondContact O-CB 3.15Å; R33-E136 HydrophobicContact CB-CG 4.16Å; R33-E136 WeakPolarHBondContact CD-OE1 3.01Å; R33-E136 HydrophobicContact CG-CG 4Å; R33-E136 WeakPolarHBondContact CG-OE1 3Å; R33-E136 IonicContact NE-OE1 3.5Å; R33-E136 PolarHBondContact NE-OE1 2.75Å; L122-E136 CarbonylContact C-O 3.6Å; L122-E136 WeakPolarHBondContact CA-O 3.16Å; N123-E136 PolarHBondContact N-O 2.85Å; N123-E136 PolarHBondContact O-N 3.39Å; I134-E136 HydrophobicContact CG2-CG 3.56Å
137	A	95.9	Very high	90.9	Very high	1 Å²	1	78.8 Å²	78.8	1%	0.008	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	139	168.8	0	0	0	0	0	108.2	K31 F32 L113 L122	K31-A137 CarbonylContact C-O 3.59Å; K31-A137 VanDerWaalsContact CA-O 3.26Å; K31-A137 WeakPolarHBondContact CA-O 3.48Å; K31-A137 WeakPolarHBondContact CB-O 3.36Å; F32-A137 HydrophobicContact CB-CB 4.48Å; F32-A137 HydrophobicContact CD1-CB 4.33Å; F32-A137 PolarHBondContact N-O 2.8Å; F32-A137 PolarHBondContact O-N 3.01Å; L113-A137 HydrophobicContact CD1-CB 4.25Å; L113-A137 HydrophobicContact CD2-CB 3.94Å; L122-A137 HydrophobicContact CD1-CB 4.25Å
138	R	96.3	Very high	91	Very high	178 Å²	178	82.3 Å²	82.3	67%	0.672	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	155.7	178.6	-62.3	-177.7	177.3	175.9	-0.6	110.5	D30 Y117 D118 T121	D30-R138 CarbonylContact O-C 3.51Å; D30-R138 WeakPolarHBondContact O-CA 3.43Å; Y117-R138 CarbonylContact C-O 3.57Å; Y117-R138 WeakPolarHBondContact CA-O 3.44Å; D118-R138 PolarHBondContact N-O 3.44Å; T121-R138 HydrophobicContact CG2-CB 4.2Å; T121-R138 WeakPolarHBondContact OG1-CB 3.31Å; T121-R138 PolarHBondContact OG1-N 3.09Å
139	R	95.4	Very high	91.4	Very high	105 Å²	105	74.5 Å²	74.5	40%	0.396	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-66.7	144.6	167.3	-166.7	172.5	177.9	177.4	2.3	109.6	E29 D30 V116 Y117 S141	E29-R139 WeakPolarHBondContact O-CD 3.48Å; E29-R139 PolarHBondContact O-NH1 3.1Å; D30-R139 PolarHBondContact O-N 3.02Å; V116-R139 HydrophobicContact CG2-CG 4.03Å; V116-R139 WeakPolarHBondContact O-CG 3.43Å; Y117-R139 HydrophobicContact CD1-CB 4.13Å; Y117-R139 HydrophobicContact CE1-CB 4.25Å; R139-S141 PolarHBondContact O-N 3.49Å
140	R	94.1	Very high	91.6	Very high	114 Å²	114	67.7 Å²	67.7	43%	0.43	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-61	128.7	171	-68.5	178.9	177.8	-159	-5.1	109.2	H84 L115 V116 Y117 D118 I142	H84-R140 PolarHBondContact CE1-NH2 2.73Å; L115-R140 WeakPolarHBondContact O-CD 3.46Å; L115-R140 PolarHBondContact O-NE 3.28Å; V116-R140 PolarHBondContact O-N 3.32Å; Y117-R140 PolarHBondContact O-NE 2.84Å; D118-R140 HydrophobicContact CB-CG 3.71Å; R140-I142 PolarHBondContact O-N 2.85Å
141	S	85.3	Confident	91.8	Very high	116 Å²	116	66.8 Å²	66.8	81%	0.811	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-66.1	125.6	162.8	50.9	0	0	0	0	107.9	R139	R139-S141 PolarHBondContact O-N 3.49Å
142	I	73.5	Confident	92	Very high	225 Å²	225	72.3 Å²	72.3	100%	1.154	34%	0.34	S	S	*	.			trans	-74.1	0	168.1	-58.7	174.1	0	0	0	108.2	R140	R140-I142 PolarHBondContact O-N 2.85Å

Retrieved 142 of 142 residues in 77.4 ms (Link to these results)

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