A0A087X1F5_HUMAN Loading...

Synaptojanin-2-binding protein

AlphaFold DB , UniProt , Accession A0A087X1F5, Species HUMAN (Homo sapiens, Human), Gene SYNJ2BP-COX16, Length 152 aa.

						>A0A087X1F5_HUMAN|A0A087X1F5|SYNJ2BP-COX16
MNGRVDYLVTEEEINLTRGPSGLGFNIVGGTDQQYVSNDSGIYVSRIKENGAAALDGRLQEGDKILSVNGQDLKNLLHQDAVDLFRNAGYAVSLRVQHRMDPELEKKLKENKISLESEYEKIKDSKFDDWKNIRGPRPWEDPDLLQGRNPES
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	63.8	Low	236 Å²	236	109.9 Å²	109.9	100%	1.163	58%	0.575	S	S	*	*				0	89	0	-72.3	172.3	175.8	0	0	105.4	G3	M1-G3 PolarHBondContact O-N 2.97Å; M1-G3 VanDerWaalsContact O-N 3.08Å
2	N	38.7	Very low	66	Low	164 Å²	164	107.2 Å²	107.2	88%	0.877	56%	0.557	S	S	*	*			trans	-77	101.6	-175.5	-67.6	-1.8	0	0	0	106.8	R4	N2-R4 PolarHBondContact O-N 3.12Å
3	G	43	Very low	68.1	Low	56 Å²	56	107.1 Å²	107.1	58%	0.577	55%	0.552	S	S	*	*			trans	-69.4	118	-173.6	0	0	0	0	0	109.5	M1 V5	M1-G3 PolarHBondContact O-N 2.97Å; M1-G3 VanDerWaalsContact O-N 3.08Å; G3-V5 PolarHBondContact O-N 2.93Å; G3-V5 VanDerWaalsContact O-N 3.11Å
4	R	51	Low	69.9	Low	212 Å²	212	99.4 Å²	99.4	80%	0.8	51%	0.513	S	S	*	.			trans	-44	113.9	163.3	-164.7	-176.4	-161.8	166.3	1.4	108.5	N2 D6	N2-R4 PolarHBondContact O-N 3.12Å; R4-D6 IonicContact NE-OD1 3.81Å; R4-D6 PolarHBondContact O-N 2.96Å
5	V	58.1	Low	71.4	Confident	55 Å²	55	98.1 Å²	98.1	33%	0.333	51%	0.507	S	S	.	.			trans	-78.8	98.6	170.2	-174.5	0	0	0	0	106.8	G3 Y7 P102	G3-V5 PolarHBondContact O-N 2.93Å; G3-V5 VanDerWaalsContact O-N 3.11Å; V5-Y7 VanDerWaalsContact C-N 3.27Å; V5-Y7 HydrophobicContact CB-CE2 4.09Å; V5-Y7 HydrophobicContact CG1-CD1 4.12Å; V5-Y7 HydrophobicContact CG1-CD2 4.34Å; V5-Y7 HydrophobicContact CG1-CE1 3.82Å; V5-Y7 HydrophobicContact CG1-CE2 4.08Å; V5-Y7 HydrophobicContact CG1-CG 4.37Å; V5-Y7 WeakPolarHBondContact O-CD2 3.34Å; V5-Y7 PolarHBondContact O-N 2.93Å; V5-P102 HydrophobicContact CG1-CG 4.29Å
6	D	67.2	Low	72.7	Confident	113 Å²	113	92.2 Å²	92.2	60%	0.604	48%	0.476	S	S	*	.			trans	-73.1	86.6	171.9	-72.6	-33.2	0	0	0	108.2	R4 L8	R4-D6 IonicContact NE-OD1 3.81Å; R4-D6 PolarHBondContact O-N 2.96Å; D6-L8 PolarHBondContact O-N 3.12Å
7	Y	73.1	Confident	73.8	Confident	38 Å²	38	90.9 Å²	90.9	15%	0.149	47%	0.474	C	S	.	.			trans	-57.5	135.8	175.4	-67.5	-78.2	0	0	0	110.7	V5 V9 D101 D141 L144	V5-Y7 VanDerWaalsContact C-N 3.27Å; V5-Y7 HydrophobicContact CB-CE2 4.09Å; V5-Y7 HydrophobicContact CG1-CD1 4.12Å; V5-Y7 HydrophobicContact CG1-CD2 4.34Å; V5-Y7 HydrophobicContact CG1-CE1 3.82Å; V5-Y7 HydrophobicContact CG1-CE2 4.08Å; V5-Y7 HydrophobicContact CG1-CG 4.37Å; V5-Y7 WeakPolarHBondContact O-CD2 3.34Å; V5-Y7 PolarHBondContact O-N 2.93Å; Y7-V9 PolarHBondContact O-N 2.82Å; Y7-D101 HydrophobicContact CD1-CB 4.48Å; Y7-D101 HydrophobicContact CE1-CB 4.32Å; Y7-D141 WeakPolarHBondContact CE2-OD2 3.26Å; Y7-D141 PolarHBondContact OH-OD2 2.99Å; Y7-L144 HydrophobicContact CE2-CD1 4.38Å
8	L	77	Confident	74.7	Confident	62 Å²	62	89.4 Å²	89.4	33%	0.325	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	124.8	169.9	-62	174.9	0	0	0	107.9	D6 M100 P102 E105	D6-L8 PolarHBondContact O-N 3.12Å; L8-M100 PolarHBondContact N-O 2.8Å; L8-M100 PolarHBondContact O-N 3.39Å; L8-P102 HydrophobicContact CD1-CB 4.39Å; L8-P102 HydrophobicContact CG-CB 4.32Å; L8-E105 HydrophobicContact CD1-CB 3.98Å; L8-E105 HydrophobicContact CD1-CG 4.11Å; L8-E105 WeakPolarHBondContact CD1-OE2 3.26Å
9	V	81.9	Confident	75.4	Confident	78 Å²	78	86.1 Å²	86.1	47%	0.473	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.5	174.9	-66.9	0	0	0	0	109.1	Y7 Q97 H98 R99	Y7-V9 PolarHBondContact O-N 2.82Å; V9-Q97 HydrophobicContact CB-CG 4.09Å; V9-Q97 HydrophobicContact CG1-CG 4.39Å; V9-H98 WeakPolarHBondContact CA-O 3.28Å; V9-R99 HydrophobicContact CG1-CG 4.04Å
10	T	83.8	Confident	75.7	Confident	75 Å²	75	89.2 Å²	89.2	46%	0.46	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.2	173.7	56.8	0	0	0	0	109.3	Q97 H98	T10-Q97 CarbonylContact O-C 3.35Å; T10-Q97 WeakPolarHBondContact O-CA 3.26Å; T10-H98 PolarHBondContact N-O 3.29Å; T10-H98 VanDerWaalsContact N-O 3.12Å; T10-H98 PolarHBondContact O-N 2.78Å
11	E	90.4	Very high	75.8	Confident	120 Å²	120	89.5 Å²	89.5	56%	0.561	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.1	176.2	-62.8	-175.5	179.7	0	0	109.7	L66 V96 Q97	E11-L66 HydrophobicContact CG-CD1 3.9Å; E11-L66 WeakPolarHBondContact OE1-CD1 3.4Å; E11-V96 CarbonylContact C-O 3.6Å; E11-V96 VanDerWaalsContact CA-O 3.28Å; E11-V96 WeakPolarHBondContact CA-O 3.17Å; E11-Q97 HydrophobicContact CG-CB 4.47Å
12	E	90.2	Very high	78.2	Confident	77 Å²	77	79.1 Å²	79.1	36%	0.36	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147.7	177.3	-171.6	168.1	175.4	0	0	110.3	I14 R95 V96 H98	E12-I14 HydrophobicContact CG-CG1 4.29Å; E12-R95 WeakPolarHBondContact O-CA 3.46Å; E12-V96 HydrophobicContact CB-CG2 4.4Å; E12-V96 PolarHBondContact N-O 2.9Å; E12-V96 PolarHBondContact O-N 2.77Å; E12-H98 IonicContact OE2-CD2 3.76Å; E12-H98 IonicContact OE2-NE2 3.08Å; E12-H98 PolarHBondContact OE2-NE2 3.14Å
13	E	93.1	Very high	80.5	Confident	106 Å²	106	72 Å²	72	50%	0.495	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.7	172.3	-171.9	172.7	-114	0	0	110.1	L94	E13-L94 CarbonylContact C-O 3.46Å; E13-L94 WeakPolarHBondContact CA-O 3.49Å
14	I	92.6	Very high	82.8	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.5	-176.5	-55.7	178.3	0	0	0	108.5	E12 L16 R58 L59 L94 V96	E12-I14 HydrophobicContact CG-CG1 4.29Å; I14-L16 HydrophobicContact CG2-CD2 3.71Å; I14-L16 HydrophobicContact CG2-CG 3.81Å; I14-R58 HydrophobicContact CD1-CB 3.73Å; I14-R58 HydrophobicContact CG1-CB 4.06Å; I14-R58 HydrophobicContact CG2-CB 4.34Å; I14-L59 HydrophobicContact CD1-CB 3.94Å; I14-L59 HydrophobicContact CD1-CD1 4.13Å; I14-L94 PolarHBondContact N-O 3.25Å; I14-L94 PolarHBondContact O-N 2.86Å; I14-V96 HydrophobicContact CD1-CG2 3.51Å; I14-V96 HydrophobicContact CG1-CG2 4.04Å
15	N	93.4	Very high	84.7	Confident	80 Å²	80	60.7 Å²	60.7	43%	0.428	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	105.8	176.1	-68	-72.8	0	0	0	108.8	R58 S93	N15-R58 PolarHBondContact O-NH2 2.68Å; N15-S93 VanDerWaalsContact OD1-CB 3.32Å; N15-S93 WeakPolarHBondContact OD1-CB 3.43Å; N15-S93 PolarHBondContact OD1-OG 2.8Å
16	L	92	Very high	86.2	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.016	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	143	178.3	-63.7	-178.9	0	0	0	110.7	I14 L23 F25 A53 D56 L59 V92 L94	I14-L16 HydrophobicContact CG2-CD2 3.71Å; I14-L16 HydrophobicContact CG2-CG 3.81Å; L16-L23 HydrophobicContact CB-CD2 4.3Å; L16-F25 HydrophobicContact CD1-CD1 4.48Å; L16-F25 HydrophobicContact CD1-CE1 3.96Å; L16-A53 HydrophobicContact CD1-CB 3.98Å; L16-D56 HydrophobicContact CD2-CB 3.41Å; L16-D56 VanDerWaalsContact CD2-CB 3.41Å; L16-D56 VanDerWaalsContact CD2-CG 3.45Å; L16-L59 HydrophobicContact CD1-CD2 4.24Å; L16-V92 PolarHBondContact N-O 2.94Å; L16-V92 PolarHBondContact O-N 2.77Å; L16-L94 HydrophobicContact CD1-CD1 3.74Å; L16-L94 HydrophobicContact CG-CD1 4.42Å
17	T	91.4	Very high	87.3	Confident	71 Å²	71	58.2 Å²	58.2	44%	0.436	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128	170.2	-58.2	0	0	0	0	109.2	G19 A52 Y90	T17-G19 PolarHBondContact O-N 3.16Å; T17-G19 VanDerWaalsContact O-N 3.16Å; T17-A52 WeakPolarHBondContact O-CB 3.2Å; T17-Y90 CarbonylContact C-O 3.6Å; T17-Y90 HydrophobicContact CG2-CD1 3.92Å; T17-Y90 HydrophobicContact CG2-CD2 4.3Å; T17-Y90 HydrophobicContact CG2-CE1 3.25Å; T17-Y90 HydrophobicContact CG2-CE2 3.69Å; T17-Y90 HydrophobicContact CG2-CG 4.41Å; T17-Y90 VanDerWaalsContact CG2-OH 3.26Å; T17-Y90 WeakPolarHBondContact CG2-OH 3.31Å
18	R	90.1	Very high	88.1	Confident	63 Å²	63	57.6 Å²	57.6	24%	0.238	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-62.3	117.7	178.9	-173	-178.3	-62.2	-88.4	-10.9	109.7	L23 F85 G89 Y90	R18-L23 HydrophobicContact CB-CD2 4.39Å; R18-F85 PolarHBondContact NH2-O 2.85Å; R18-G89 PolarHBondContact NE-O 2.95Å; R18-G89 PolarHBondContact NH2-O 3.36Å; R18-G89 VanDerWaalsContact NH2-O 3.12Å; R18-Y90 HydrophobicContact CB-CD2 4.35Å; R18-Y90 WeakPolarHBondContact CB-O 3.39Å; R18-Y90 PolarHBondContact N-O 3.26Å; R18-Y90 WeakPolarHBondContact O-CE2 3.5Å
19	G	86.8	Confident	88.6	Confident	27 Å²	27	54.7 Å²	54.7	28%	0.278	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-80.6	180	173.3	0	0	0	0	0	112.8	T17 S21 G22	T17-G19 PolarHBondContact O-N 3.16Å; T17-G19 VanDerWaalsContact O-N 3.16Å; G19-S21 PolarHBondContact O-N 3.47Å; G19-S21 VanDerWaalsContact O-N 3.12Å; G19-G22 PolarHBondContact N-O 3Å; G19-G22 PolarHBondContact O-N 3.01Å
20	P	81.7	Confident	88.7	Confident	148 Å²	148	51 Å²	51	96%	0.961	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.6	-179.8	23.8	-33.5	0	0	0	113.7
21	S	79.3	Confident	88.7	Confident	95 Å²	95	49.7 Å²	49.7	66%	0.664	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	14	175.5	-66.8	0	0	0	0	113.7	G19	G19-S21 PolarHBondContact O-N 3.47Å; G19-S21 VanDerWaalsContact O-N 3.12Å
22	G	87.4	Confident	88.4	Confident	18 Å²	18	48 Å²	48	19%	0.186	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	95.2	-149.7	-175.2	0	0	0	0	0	113.3	G19	G19-G22 PolarHBondContact N-O 3Å; G19-G22 PolarHBondContact O-N 3.01Å
23	L	88.1	Confident	87.9	Confident	14 Å²	14	48.9 Å²	48.9	7%	0.073	28%	0.282	C	S	.	.	S	Bend	trans	-83.5	-16.7	-176.5	-62.3	170.9	0	0	0	113.7	L16 R18 F25 A53 F85 V92	L16-L23 HydrophobicContact CB-CD2 4.3Å; R18-L23 HydrophobicContact CB-CD2 4.39Å; L23-F25 HydrophobicContact CB-CD1 3.82Å; L23-F25 HydrophobicContact CB-CE1 3.4Å; L23-F25 HydrophobicContact CB-CZ 4.1Å; L23-F25 HydrophobicContact CD1-CE1 3.98Å; L23-F25 HydrophobicContact CD1-CZ 3.91Å; L23-F25 HydrophobicContact CG-CE1 4.26Å; L23-A53 PolarHBondContact O-N 3.5Å; L23-F85 HydrophobicContact CD1-CB 4.35Å; L23-F85 HydrophobicContact CD1-CD1 3.78Å; L23-V92 HydrophobicContact CD1-CG1 4.24Å; L23-V92 HydrophobicContact CD1-CG2 4.33Å; L23-V92 HydrophobicContact CD2-CB 3.96Å; L23-V92 HydrophobicContact CD2-CG2 3.72Å
24	G	89.8	Confident	87	Confident	8 Å²	8	49 Å²	49	8%	0.082	28%	0.283	C	S	.	.	S	Bend	trans	79.2	29.3	172.9	0	0	0	0	0	114.9	K48	G24-K48 VanDerWaalsContact O-CB 3.32Å; G24-K48 WeakPolarHBondContact O-CB 3.33Å; G24-K48 PolarHBondContact O-N 3.43Å
25	F	91.2	Very high	86	Confident	24 Å²	24	53.1 Å²	53.1	11%	0.105	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	160.1	170.2	61.2	-92.7	0	0	0	110.7	L16 L23 I27 V44 R46 I47 A53 L59 I65 F85 L94	L16-F25 HydrophobicContact CD1-CD1 4.48Å; L16-F25 HydrophobicContact CD1-CE1 3.96Å; L23-F25 HydrophobicContact CB-CD1 3.82Å; L23-F25 HydrophobicContact CB-CE1 3.4Å; L23-F25 HydrophobicContact CB-CZ 4.1Å; L23-F25 HydrophobicContact CD1-CE1 3.98Å; L23-F25 HydrophobicContact CD1-CZ 3.91Å; L23-F25 HydrophobicContact CG-CE1 4.26Å; F25-I27 HydrophobicContact CD2-CG2 3.73Å; F25-I27 HydrophobicContact CE2-CG2 3.52Å; F25-V44 HydrophobicContact CB-CG1 4.19Å; F25-V44 HydrophobicContact CD2-CG2 4.46Å; F25-R46 CarbonylContact C-O 3.47Å; F25-R46 VanDerWaalsContact CA-O 3.23Å; F25-R46 WeakPolarHBondContact CA-O 3.35Å; F25-R46 WeakPolarHBondContact CB-O 3.46Å; F25-I47 HydrophobicContact CB-CG1 4.14Å; F25-A53 HydrophobicContact CB-CB 4.4Å; F25-A53 HydrophobicContact CD1-CB 3.74Å; F25-L59 HydrophobicContact CB-CD2 4.29Å; F25-L59 HydrophobicContact CD1-CD2 3.4Å; F25-L59 VanDerWaalsContact CD1-CD2 3.4Å; F25-L59 HydrophobicContact CD2-CD2 4.24Å; F25-L59 HydrophobicContact CE1-CD2 3.58Å; F25-L59 HydrophobicContact CE2-CD2 4.43Å; F25-L59 HydrophobicContact CG-CD2 3.74Å; F25-L59 HydrophobicContact CZ-CD2 4.13Å; F25-I65 HydrophobicContact CE2-CD1 3.82Å; F25-I65 HydrophobicContact CZ-CD1 4.35Å; F25-F85 HydrophobicContact CE2-CD1 4.34Å; F25-F85 AromaticContact CE2-CE1 3.96Å; F25-F85 HydrophobicContact CE2-CE1 3.96Å; F25-F85 HydrophobicContact CE2-CZ 4.33Å; F25-F85 AromaticContact CZ-CD1 3.96Å; F25-F85 HydrophobicContact CZ-CD1 3.96Å; F25-F85 AromaticContact CZ-CE1 3.7Å; F25-F85 HydrophobicContact CZ-CE1 3.7Å; F25-F85 HydrophobicContact CZ-CZ 4.48Å; F25-L94 HydrophobicContact CE1-CD1 3.89Å; F25-L94 HydrophobicContact CZ-CD1 3.78Å
26	N	90.1	Very high	84.8	Confident	91 Å²	91	49.7 Å²	49.7	49%	0.487	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	141.9	174.7	-66.6	-5.8	0	0	0	109	V44 S45 R46	N26-V44 CarbonylContact O-C 3.55Å; N26-V44 WeakPolarHBondContact O-CA 3.3Å; N26-S45 VanDerWaalsContact CB-OG 3.31Å; N26-S45 WeakPolarHBondContact CB-OG 3.44Å; N26-S45 PolarHBondContact O-N 3.28Å; N26-S45 PolarHBondContact O-OG 2.91Å; N26-R46 HydrophobicContact CB-CB 4.05Å; N26-R46 PolarHBondContact N-O 2.9Å
27	I	90.8	Very high	83.6	Confident	24 Å²	24	52.2 Å²	52.2	12%	0.123	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	154.3	175	65.1	176.4	0	0	0	110.9	F25 I42 Y43 I65 A81 V82 F85	F25-I27 HydrophobicContact CD2-CG2 3.73Å; F25-I27 HydrophobicContact CE2-CG2 3.52Å; I27-I42 HydrophobicContact CB-CG2 3.82Å; I27-I42 HydrophobicContact CD1-CG2 3.99Å; I27-I42 HydrophobicContact CG1-CG2 4.41Å; I27-I42 HydrophobicContact CG2-CG2 4.1Å; I27-Y43 CarbonylContact C-O 3.51Å; I27-Y43 WeakPolarHBondContact CA-O 3.3Å; I27-I65 HydrophobicContact CG2-CD1 3.95Å; I27-A81 HydrophobicContact CD1-CB 4.21Å; I27-V82 HydrophobicContact CD1-CG2 3.82Å; I27-V82 HydrophobicContact CG1-CG2 4.26Å; I27-F85 HydrophobicContact CD1-CD2 3.59Å; I27-F85 HydrophobicContact CD1-CE2 3.59Å; I27-F85 HydrophobicContact CG2-CE2 4.09Å; I27-F85 HydrophobicContact CG2-CZ 4.32Å
28	V	88.6	Confident	82.6	Confident	25 Å²	25	55.2 Å²	55.2	15%	0.152	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	167.3	171.6	-72.1	0	0	0	0	108.2	Y35 I42 Y43 S45	V28-Y35 HydrophobicContact CB-CD1 4.08Å; V28-Y35 HydrophobicContact CB-CD2 4.03Å; V28-Y35 HydrophobicContact CB-CE1 4.18Å; V28-Y35 HydrophobicContact CB-CE2 4.23Å; V28-Y35 HydrophobicContact CB-CG 3.98Å; V28-Y35 HydrophobicContact CG1-CE2 4.3Å; V28-Y35 HydrophobicContact CG2-CD1 3.35Å; V28-Y35 HydrophobicContact CG2-CD2 4.21Å; V28-Y35 HydrophobicContact CG2-CE1 3.42Å; V28-Y35 VanDerWaalsContact CG2-CE1 3.42Å; V28-Y35 HydrophobicContact CG2-CE2 4.35Å; V28-Y35 HydrophobicContact CG2-CG 3.76Å; V28-I42 WeakPolarHBondContact O-CA 3.37Å; V28-Y43 PolarHBondContact N-O 2.93Å; V28-Y43 PolarHBondContact O-N 3.21Å; V28-S45 VanDerWaalsContact CG1-CB 3.48Å
29	G	87.3	Confident	82.1	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	99.1	-178.1	-173	0	0	0	0	0	112.3	Q33 G41 H78	G29-Q33 CarbonylContact C-O 3.57Å; G29-Q33 WeakPolarHBondContact CA-O 3.27Å; G29-G41 WeakPolarHBondContact CA-O 3.27Å; G29-H78 WeakPolarHBondContact O-CB 3.26Å; G29-H78 PolarHBondContact O-ND1 2.96Å
30	G	85.4	Confident	81.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.305	C	S	.	.			trans	120.8	157.5	-168.6	0	0	0	0	0	110.3	D32 Q33 Q34 G41 L76	G30-D32 PolarHBondContact O-N 2.85Å; G30-Q33 CarbonylContact O-C 3.57Å; G30-Q33 PolarHBondContact O-N 3.13Å; G30-Q33 VanDerWaalsContact O-N 3.14Å; G30-Q34 WeakPolarHBondContact O-CA 3.34Å; G30-Q34 PolarHBondContact O-N 2.64Å; G30-G41 PolarHBondContact N-O 3.05Å; G30-L76 CarbonylContact C-O 3.49Å; G30-L76 WeakPolarHBondContact CA-O 3.2Å
31	T	83.8	Confident	82.1	Confident	48 Å²	48	47.1 Å²	47.1	29%	0.294	26%	0.262	S	S	.	.	S	Bend	trans	-62.3	-29.3	-180	49	0	0	0	0	113.1	Q34 N75 L76 L77	T31-Q34 PolarHBondContact O-NE2 2.82Å; T31-N75 VanDerWaalsContact CG2-C 3.47Å; T31-N75 HydrophobicContact CG2-CB 4.18Å; T31-L76 PolarHBondContact N-O 3.37Å; T31-L76 PolarHBondContact OG1-O 3.14Å; T31-L77 WeakPolarHBondContact OG1-CD2 3.31Å
32	D	83.1	Confident	82.7	Confident	85 Å²	85	42.6 Å²	42.6	46%	0.455	23%	0.23	S	C	.	.	S	Bend	trans	-86.4	-22.8	175.3	62	-48.2	0	0	0	113.7	G30 L77 H78	G30-D32 PolarHBondContact O-N 2.85Å; D32-L77 HydrophobicContact CB-CD2 3.78Å; D32-L77 WeakPolarHBondContact OD1-CA 3.46Å; D32-H78 PolarHBondContact OD1-N 3.46Å
33	Q	79.4	Confident	82.8	Confident	96 Å²	96	41.9 Å²	41.9	45%	0.449	22%	0.222	S	C	.	.	S	Bend	trans	-128.9	55	-177	-69	178.8	52.5	0	0	110.3	G29 G30 Y35 H78	G29-Q33 CarbonylContact C-O 3.57Å; G29-Q33 WeakPolarHBondContact CA-O 3.27Å; G30-Q33 CarbonylContact O-C 3.57Å; G30-Q33 PolarHBondContact O-N 3.13Å; G30-Q33 VanDerWaalsContact O-N 3.14Å; Q33-Y35 PolarHBondContact O-N 2.65Å; Q33-H78 HydrophobicContact CB-CB 4.37Å; Q33-H78 HydrophobicContact CG-CB 4.35Å
34	Q	75.6	Confident	82.9	Confident	109 Å²	109	41.2 Å²	41.2	51%	0.509	22%	0.219	S	C	.	.			trans	-58.6	114.4	-179.6	-67.2	-177.6	20.4	0	0	109.5	G30 T31	G30-Q34 WeakPolarHBondContact O-CA 3.34Å; G30-Q34 PolarHBondContact O-N 2.64Å; T31-Q34 PolarHBondContact O-NE2 2.82Å
35	Y	70.1	Confident	82.6	Confident	86 Å²	86	41.8 Å²	41.8	34%	0.337	22%	0.221	S	C	.	.	S	Bend	trans	-93.7	-19.9	-174.8	-154.4	-119	0	0	0	112	V28 Q33 W139	V28-Y35 HydrophobicContact CB-CD1 4.08Å; V28-Y35 HydrophobicContact CB-CD2 4.03Å; V28-Y35 HydrophobicContact CB-CE1 4.18Å; V28-Y35 HydrophobicContact CB-CE2 4.23Å; V28-Y35 HydrophobicContact CB-CG 3.98Å; V28-Y35 HydrophobicContact CG1-CE2 4.3Å; V28-Y35 HydrophobicContact CG2-CD1 3.35Å; V28-Y35 HydrophobicContact CG2-CD2 4.21Å; V28-Y35 HydrophobicContact CG2-CE1 3.42Å; V28-Y35 VanDerWaalsContact CG2-CE1 3.42Å; V28-Y35 HydrophobicContact CG2-CE2 4.35Å; V28-Y35 HydrophobicContact CG2-CG 3.76Å; Q33-Y35 PolarHBondContact O-N 2.65Å; Y35-W139 HydrophobicContact CD1-CB 4.29Å; Y35-W139 AromaticContact CD1-CD2 3.64Å; Y35-W139 HydrophobicContact CD1-CD2 3.64Å; Y35-W139 AromaticContact CD1-CE3 3.32Å; Y35-W139 HydrophobicContact CD1-CE3 3.32Å; Y35-W139 HydrophobicContact CD1-CG 4.07Å; Y35-W139 HydrophobicContact CD1-CH2 4.36Å; Y35-W139 AromaticContact CD1-CZ3 3.73Å; Y35-W139 HydrophobicContact CD1-CZ3 3.73Å; Y35-W139 HydrophobicContact CE1-CB 4.18Å; Y35-W139 AromaticContact CE1-CD2 3.07Å; Y35-W139 HydrophobicContact CE1-CD2 3.07Å; Y35-W139 AromaticContact CE1-CE2 3.33Å; Y35-W139 AromaticContact CE1-CE3 3.19Å; Y35-W139 HydrophobicContact CE1-CE3 3.19Å; Y35-W139 AromaticContact CE1-CG 3.54Å; Y35-W139 HydrophobicContact CE1-CG 3.54Å; Y35-W139 AromaticContact CE1-CH2 3.73Å; Y35-W139 HydrophobicContact CE1-CH2 3.73Å; Y35-W139 AromaticContact CE1-CZ2 3.62Å; Y35-W139 HydrophobicContact CE1-CZ2 3.62Å; Y35-W139 AromaticContact CE1-CZ3 3.53Å; Y35-W139 HydrophobicContact CE1-CZ3 3.53Å; Y35-W139 AromaticContact CE1-NE1 3.96Å; Y35-W139 AromaticContact CZ-CD2 3.95Å; Y35-W139 AromaticContact CZ-CE2 3.94Å
36	V	69.6	Low	82.3	Confident	8 Å²	8	47.8 Å²	47.8	5%	0.048	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-125.2	133.4	172	174	0	0	0	0	107.3	N38 D39 Y43 P138	V36-N38 PolarHBondContact O-N 3.08Å; V36-D39 HydrophobicContact CB-CB 3.94Å; V36-D39 HydrophobicContact CG1-CB 3.98Å; V36-D39 PolarHBondContact O-N 3.06Å; V36-Y43 HydrophobicContact CG2-CE2 4.17Å; V36-P138 HydrophobicContact CG2-CB 3.7Å
37	S	67.1	Low	82.1	Confident	56 Å²	56	44.3 Å²	44.3	39%	0.392	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	125.6	179.1	-62.4	0	0	0	0	110.6	D39 L145	S37-D39 PolarHBondContact O-N 3.35Å; S37-L145 WeakPolarHBondContact CB-O 3.24Å; S37-L145 PolarHBondContact OG-O 3.23Å
38	N	70.5	Confident	81.8	Confident	133 Å²	133	48.8 Å²	48.8	71%	0.711	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	18.8	-175.8	-58.7	-33.6	0	0	0	115.6	V36	V36-N38 PolarHBondContact O-N 3.08Å
39	D	78.2	Confident	81.4	Confident	42 Å²	42	54.5 Å²	54.5	23%	0.225	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-128.8	113.2	171.5	-159.2	-26.6	0	0	0	110.9	V36 S37 G41 Y43 K64	V36-D39 HydrophobicContact CB-CB 3.94Å; V36-D39 HydrophobicContact CG1-CB 3.98Å; V36-D39 PolarHBondContact O-N 3.06Å; S37-D39 PolarHBondContact O-N 3.35Å; D39-G41 PolarHBondContact O-N 3.28Å; D39-G41 PolarHBondContact OD1-N 2.91Å; D39-Y43 PolarHBondContact OD1-OH 2.85Å; D39-Y43 PolarHBondContact OD2-OH 3.26Å; D39-K64 IonicContact OD1-NZ 3.73Å; D39-K64 PolarHBondContact OD1-NZ 2.59Å; D39-K64 IonicContact OD2-NZ 3.88Å; D39-K64 PolarHBondContact OD2-NZ 3.4Å
40	S	81.8	Confident	81.1	Confident	21 Å²	21	61.2 Å²	61.2	15%	0.147	30%	0.304	C	S	.	.			trans	-87	10.9	177.5	57.4	0	0	0	0	113.2	N75	S40-N75 PolarHBondContact OG-OD1 3.35Å
41	G	87.3	Confident	81.1	Confident	5 Å²	5	61.7 Å²	61.7	5%	0.052	31%	0.308	C	S	.	.			trans	-68.3	166.5	-179.1	0	0	0	0	0	114.3	G29 G30 D39 Y43	G29-G41 WeakPolarHBondContact CA-O 3.27Å; G30-G41 PolarHBondContact N-O 3.05Å; D39-G41 PolarHBondContact O-N 3.28Å; D39-G41 PolarHBondContact OD1-N 2.91Å; G41-Y43 WeakPolarHBondContact O-CD2 3.38Å; G41-Y43 WeakPolarHBondContact O-CE2 3.44Å
42	I	91.5	Very high	81.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.2	175.4	-55.2	-58.6	0	0	0	108.8	I27 V28 K64 I65 L73 A81 F85	I27-I42 HydrophobicContact CB-CG2 3.82Å; I27-I42 HydrophobicContact CD1-CG2 3.99Å; I27-I42 HydrophobicContact CG1-CG2 4.41Å; I27-I42 HydrophobicContact CG2-CG2 4.1Å; V28-I42 WeakPolarHBondContact O-CA 3.37Å; I42-K64 CarbonylContact O-C 3.57Å; I42-K64 WeakPolarHBondContact O-CA 3.32Å; I42-I65 PolarHBondContact O-N 3.33Å; I42-L73 HydrophobicContact CB-CD1 4.04Å; I42-L73 HydrophobicContact CG1-CB 4Å; I42-L73 HydrophobicContact CG1-CD1 4.09Å; I42-L73 HydrophobicContact CG2-CD1 4.29Å; I42-A81 HydrophobicContact CD1-CB 3.57Å; I42-A81 HydrophobicContact CG1-CB 3.72Å; I42-F85 HydrophobicContact CG2-CE2 4.34Å
43	Y	89.6	Confident	81.6	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.5	-178	-59.6	-95.1	0	0	0	111.2	I27 V28 V36 D39 G41 S45 D63 K64 P138	I27-Y43 CarbonylContact C-O 3.51Å; I27-Y43 WeakPolarHBondContact CA-O 3.3Å; V28-Y43 PolarHBondContact N-O 2.93Å; V28-Y43 PolarHBondContact O-N 3.21Å; V36-Y43 HydrophobicContact CG2-CE2 4.17Å; D39-Y43 PolarHBondContact OD1-OH 2.85Å; D39-Y43 PolarHBondContact OD2-OH 3.26Å; G41-Y43 WeakPolarHBondContact O-CD2 3.38Å; G41-Y43 WeakPolarHBondContact O-CE2 3.44Å; Y43-S45 PolarHBondContact O-N 2.88Å; Y43-D63 CarbonylContact C-O 3.55Å; Y43-D63 VanDerWaalsContact CA-O 3.27Å; Y43-D63 WeakPolarHBondContact CA-O 3.35Å; Y43-K64 HydrophobicContact CD1-CB 3.81Å; Y43-K64 HydrophobicContact CD1-CG 4.1Å; Y43-K64 HydrophobicContact CE1-CB 3.69Å; Y43-K64 HydrophobicContact CE1-CD 3.96Å; Y43-K64 HydrophobicContact CE1-CG 3.76Å; Y43-P138 HydrophobicContact CD1-CG 4.37Å; Y43-P138 HydrophobicContact CE1-CG 4.32Å
44	V	89.8	Confident	81.8	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	112.8	170.1	-177.6	0	0	0	0	108.7	F25 N26 I47 L59 Q60 E61 G62 D63 I65	F25-V44 HydrophobicContact CB-CG1 4.19Å; F25-V44 HydrophobicContact CD2-CG2 4.46Å; N26-V44 CarbonylContact O-C 3.55Å; N26-V44 WeakPolarHBondContact O-CA 3.3Å; V44-I47 HydrophobicContact CG1-CD1 4.35Å; V44-I47 HydrophobicContact CG1-CG1 3.79Å; V44-L59 HydrophobicContact CG2-CD1 3.93Å; V44-L59 HydrophobicContact CG2-CD2 4.19Å; V44-L59 HydrophobicContact CG2-CG 4.13Å; V44-Q60 VanDerWaalsContact CB-O 3.31Å; V44-Q60 WeakPolarHBondContact CB-O 3.38Å; V44-E61 HydrophobicContact CG1-CG 4.39Å; V44-G62 PolarHBondContact O-N 3.35Å; V44-D63 HydrophobicContact CG2-CB 4.29Å; V44-D63 PolarHBondContact N-O 3.2Å; V44-I65 HydrophobicContact CG2-CD1 3.89Å; V44-I65 HydrophobicContact CG2-CG1 4.05Å
45	S	84.9	Confident	82.2	Confident	20 Å²	20	54.2 Å²	54.2	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-37.7	175.6	56.2	0	0	0	0	112.5	N26 V28 Y43 E61 R137	N26-S45 VanDerWaalsContact CB-OG 3.31Å; N26-S45 WeakPolarHBondContact CB-OG 3.44Å; N26-S45 PolarHBondContact O-N 3.28Å; N26-S45 PolarHBondContact O-OG 2.91Å; V28-S45 VanDerWaalsContact CG1-CB 3.48Å; Y43-S45 PolarHBondContact O-N 2.88Å; S45-E61 VanDerWaalsContact O-OE2 3.11Å; S45-R137 PolarHBondContact O-NH1 2.86Å
46	R	84.3	Confident	83	Confident	149 Å²	149	52.6 Å²	52.6	56%	0.562	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.9	143.1	-176.8	-157	175.3	-177.5	179.6	-0.1	112.7	F25 N26 E61	F25-R46 CarbonylContact C-O 3.47Å; F25-R46 VanDerWaalsContact CA-O 3.23Å; F25-R46 WeakPolarHBondContact CA-O 3.35Å; F25-R46 WeakPolarHBondContact CB-O 3.46Å; N26-R46 HydrophobicContact CB-CB 4.05Å; N26-R46 PolarHBondContact N-O 2.9Å; R46-E61 WeakPolarHBondContact CA-OE1 3.17Å; R46-E61 VanDerWaalsContact CG-OE1 3.26Å; R46-E61 WeakPolarHBondContact CG-OE1 3.49Å
47	I	86.1	Confident	83.5	Confident	19 Å²	19	53.7 Å²	53.7	10%	0.097	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.9	167.1	-65.8	178.1	0	0	0	109.1	F25 V44 A53 A54 L59 E61	F25-I47 HydrophobicContact CB-CG1 4.14Å; V44-I47 HydrophobicContact CG1-CD1 4.35Å; V44-I47 HydrophobicContact CG1-CG1 3.79Å; I47-A53 HydrophobicContact CG2-CB 4.38Å; I47-A54 HydrophobicContact CG2-CB 3.75Å; I47-L59 VanDerWaalsContact CD1-C 3.46Å; I47-L59 HydrophobicContact CD1-CG 4.45Å; I47-L59 WeakPolarHBondContact CD1-O 3.43Å; I47-E61 HydrophobicContact CB-CG 4.3Å; I47-E61 HydrophobicContact CD1-CG 4.38Å; I47-E61 HydrophobicContact CG1-CG 3.94Å; I47-E61 PolarHBondContact N-OE1 3.26Å
48	K	84.9	Confident	84.4	Confident	117 Å²	117	54.9 Å²	54.9	51%	0.509	29%	0.285	S	S	.	.			trans	-83	124.4	179.5	-170	176.5	179.3	-178.8	0	109	G24 N50 G51 A54	G24-K48 VanDerWaalsContact O-CB 3.32Å; G24-K48 WeakPolarHBondContact O-CB 3.33Å; G24-K48 PolarHBondContact O-N 3.43Å; K48-N50 PolarHBondContact O-N 3.02Å; K48-G51 WeakPolarHBondContact O-CA 3.31Å; K48-G51 PolarHBondContact O-N 2.83Å; K48-A54 VanDerWaalsContact O-CB 3.3Å; K48-A54 WeakPolarHBondContact O-CB 3.34Å
49	E	79.6	Confident	85.2	Confident	145 Å²	145	48.7 Å²	48.7	68%	0.678	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	135.4	170.6	-67.3	172.8	-175.4	0	0	110.5	G51	E49-G51 PolarHBondContact O-N 3.41Å; E49-G51 VanDerWaalsContact O-N 3.13Å
50	N	81.1	Confident	85.3	Confident	143 Å²	143	47.9 Å²	47.9	77%	0.765	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	13.8	-174.5	-52.3	-62.5	0	0	0	115	K48	K48-N50 PolarHBondContact O-N 3.02Å
51	G	85.3	Confident	85.4	Confident	9 Å²	9	47.3 Å²	47.3	9%	0.093	24%	0.241	C	C	.	.	S	Bend	trans	-77.9	164.6	171.5	0	0	0	0	0	112.4	K48 E49 A53 A54 L55	K48-G51 WeakPolarHBondContact O-CA 3.31Å; K48-G51 PolarHBondContact O-N 2.83Å; E49-G51 PolarHBondContact O-N 3.41Å; E49-G51 VanDerWaalsContact O-N 3.13Å; G51-A53 VanDerWaalsContact C-N 3.3Å; G51-A53 PolarHBondContact O-N 3.44Å; G51-A54 PolarHBondContact O-N 2.73Å; G51-L55 WeakPolarHBondContact O-CG 3.23Å; G51-L55 PolarHBondContact O-N 3.45Å
52	A	88.6	Confident	85.2	Confident	19 Å²	19	47.6 Å²	47.6	16%	0.157	24%	0.244	C	C	.	.	H	α-helix	trans	-57.5	-42.2	179.8	0	0	0	0	0	112.5	T17 L55 D56	T17-A52 WeakPolarHBondContact O-CB 3.2Å; A52-L55 PolarHBondContact O-N 3.36Å; A52-D56 WeakPolarHBondContact O-CB 3.4Å; A52-D56 PolarHBondContact O-N 3.32Å
53	A	88.7	Confident	85.1	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-38.9	173.7	0	0	0	0	0	113.8	L16 L23 F25 I47 G51 D56 G57 L59	L16-A53 HydrophobicContact CD1-CB 3.98Å; L23-A53 PolarHBondContact O-N 3.5Å; F25-A53 HydrophobicContact CB-CB 4.4Å; F25-A53 HydrophobicContact CD1-CB 3.74Å; I47-A53 HydrophobicContact CG2-CB 4.38Å; G51-A53 VanDerWaalsContact C-N 3.3Å; G51-A53 PolarHBondContact O-N 3.44Å; A53-D56 PolarHBondContact O-N 3.15Å; A53-G57 PolarHBondContact O-N 2.74Å; A53-L59 HydrophobicContact CB-CB 4.22Å; A53-L59 HydrophobicContact CB-CD2 3.8Å
54	A	84.3	Confident	85.1	Confident	27 Å²	27	49.6 Å²	49.6	22%	0.223	25%	0.254	C	S	.	.	H	α-helix	trans	-69.6	-39.6	177.9	0	0	0	0	0	112.3	I47 K48 G51 D56 G57	I47-A54 HydrophobicContact CG2-CB 3.75Å; K48-A54 VanDerWaalsContact O-CB 3.3Å; K48-A54 WeakPolarHBondContact O-CB 3.34Å; G51-A54 PolarHBondContact O-N 2.73Å; A54-D56 VanDerWaalsContact C-N 3.31Å; A54-G57 PolarHBondContact O-N 2.73Å
55	L	83.2	Confident	85.2	Confident	135 Å²	135	49.7 Å²	49.7	71%	0.707	25%	0.254	S	S	*	.	H	α-helix	trans	-69	-31.5	177.6	-67.3	172.4	0	0	0	112.2	G51 A52	G51-L55 WeakPolarHBondContact O-CG 3.23Å; G51-L55 PolarHBondContact O-N 3.45Å; A52-L55 PolarHBondContact O-N 3.36Å
56	D	86.3	Confident	85.6	Confident	53 Å²	53	49.6 Å²	49.6	28%	0.283	25%	0.252	S	S	.	.	H	α-helix	trans	-74.7	-36.1	173.7	-174.9	-90.2	0	0	0	112.1	L16 A52 A53 A54 R58	L16-D56 HydrophobicContact CD2-CB 3.41Å; L16-D56 VanDerWaalsContact CD2-CB 3.41Å; L16-D56 VanDerWaalsContact CD2-CG 3.45Å; A52-D56 WeakPolarHBondContact O-CB 3.4Å; A52-D56 PolarHBondContact O-N 3.32Å; A53-D56 PolarHBondContact O-N 3.15Å; A54-D56 VanDerWaalsContact C-N 3.31Å; D56-R58 PolarHBondContact O-N 2.8Å; D56-R58 VanDerWaalsContact O-N 3.15Å; D56-R58 WeakPolarHBondContact OD1-CB 3.32Å; D56-R58 WeakPolarHBondContact OD1-CG 3.26Å; D56-R58 IonicContact OD1-CZ 3.5Å; D56-R58 PolarHBondContact OD1-N 2.97Å; D56-R58 IonicContact OD1-NE 3.44Å; D56-R58 PolarHBondContact OD1-NE 2.88Å; D56-R58 IonicContact OD1-NH2 2.73Å; D56-R58 PolarHBondContact OD1-NH2 2.93Å; D56-R58 IonicContact OD2-CZ 3.35Å; D56-R58 IonicContact OD2-NE 3.36Å; D56-R58 PolarHBondContact OD2-NE 3.47Å; D56-R58 IonicContact OD2-NH2 3.46Å; D56-R58 PolarHBondContact OD2-NH2 3.17Å
57	G	81.5	Confident	86	Confident	30 Å²	30	42.9 Å²	42.9	31%	0.309	23%	0.228	S	C	.	.			trans	79.2	-15.8	171.5	0	0	0	0	0	115.6	A53 A54	A53-G57 PolarHBondContact O-N 2.74Å; A54-G57 PolarHBondContact O-N 2.73Å
58	R	85.9	Confident	86.4	Confident	82 Å²	82	42 Å²	42	31%	0.309	22%	0.223	S	C	.	.			trans	-78.1	-38.1	-178	-62.3	177.3	-71.8	173.1	-4.6	113.3	I14 N15 D56 Q60 H98	I14-R58 HydrophobicContact CD1-CB 3.73Å; I14-R58 HydrophobicContact CG1-CB 4.06Å; I14-R58 HydrophobicContact CG2-CB 4.34Å; N15-R58 PolarHBondContact O-NH2 2.68Å; D56-R58 PolarHBondContact O-N 2.8Å; D56-R58 VanDerWaalsContact O-N 3.15Å; D56-R58 WeakPolarHBondContact OD1-CB 3.32Å; D56-R58 WeakPolarHBondContact OD1-CG 3.26Å; D56-R58 IonicContact OD1-CZ 3.5Å; D56-R58 PolarHBondContact OD1-N 2.97Å; D56-R58 IonicContact OD1-NE 3.44Å; D56-R58 PolarHBondContact OD1-NE 2.88Å; D56-R58 IonicContact OD1-NH2 2.73Å; D56-R58 PolarHBondContact OD1-NH2 2.93Å; D56-R58 IonicContact OD2-CZ 3.35Å; D56-R58 IonicContact OD2-NE 3.36Å; D56-R58 PolarHBondContact OD2-NE 3.47Å; D56-R58 IonicContact OD2-NH2 3.46Å; D56-R58 PolarHBondContact OD2-NH2 3.17Å; R58-Q60 PolarHBondContact O-NE2 3.38Å; R58-Q60 VanDerWaalsContact O-NE2 3.14Å; R58-H98 PolarHBondContact O-CE1 2.79Å
59	L	86.9	Confident	86.8	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.016	22%	0.215	C	C	.	.			trans	-76.9	136.9	179.2	-173.4	68.6	0	0	0	109.9	I14 L16 F25 V44 I47 A53 D63 L94 V96	I14-L59 HydrophobicContact CD1-CB 3.94Å; I14-L59 HydrophobicContact CD1-CD1 4.13Å; L16-L59 HydrophobicContact CD1-CD2 4.24Å; F25-L59 HydrophobicContact CB-CD2 4.29Å; F25-L59 HydrophobicContact CD1-CD2 3.4Å; F25-L59 VanDerWaalsContact CD1-CD2 3.4Å; F25-L59 HydrophobicContact CD2-CD2 4.24Å; F25-L59 HydrophobicContact CE1-CD2 3.58Å; F25-L59 HydrophobicContact CE2-CD2 4.43Å; F25-L59 HydrophobicContact CG-CD2 3.74Å; F25-L59 HydrophobicContact CZ-CD2 4.13Å; V44-L59 HydrophobicContact CG2-CD1 3.93Å; V44-L59 HydrophobicContact CG2-CD2 4.19Å; V44-L59 HydrophobicContact CG2-CG 4.13Å; I47-L59 VanDerWaalsContact CD1-C 3.46Å; I47-L59 HydrophobicContact CD1-CG 4.45Å; I47-L59 WeakPolarHBondContact CD1-O 3.43Å; A53-L59 HydrophobicContact CB-CB 4.22Å; A53-L59 HydrophobicContact CB-CD2 3.8Å; L59-D63 HydrophobicContact CD1-CB 4.43Å; L59-L94 HydrophobicContact CD2-CD1 4.3Å; L59-V96 HydrophobicContact CD1-CB 4.41Å; L59-V96 HydrophobicContact CD1-CG1 3.64Å
60	Q	80.5	Confident	87.3	Confident	24 Å²	24	35.8 Å²	35.8	11%	0.112	22%	0.216	C	C	.	.			trans	-134.7	157.4	-173.4	-71.3	162.4	96.5	0	0	113.1	V44 R58 D63 W130	V44-Q60 VanDerWaalsContact CB-O 3.31Å; V44-Q60 WeakPolarHBondContact CB-O 3.38Å; R58-Q60 PolarHBondContact O-NE2 3.38Å; R58-Q60 VanDerWaalsContact O-NE2 3.14Å; Q60-D63 WeakPolarHBondContact CA-OD2 3.47Å; Q60-D63 WeakPolarHBondContact CB-OD2 3.27Å; Q60-D63 PolarHBondContact N-OD2 2.77Å; Q60-D63 VanDerWaalsContact O-CB 3.26Å; Q60-D63 WeakPolarHBondContact O-CB 3.45Å; Q60-D63 VanDerWaalsContact O-CG 3.31Å; Q60-D63 PolarHBondContact O-N 3.42Å; Q60-W130 HydrophobicContact CB-CH2 3.7Å; Q60-W130 HydrophobicContact CB-CZ2 4.24Å; Q60-W130 HydrophobicContact CG-CH2 3.85Å; Q60-W130 HydrophobicContact CG-CZ3 4.19Å; Q60-W130 VanDerWaalsContact OE1-CH2 3.25Å; Q60-W130 VanDerWaalsContact OE1-CZ3 3.26Å
61	E	84.1	Confident	87.7	Confident	9 Å²	9	34.2 Å²	34.2	4%	0.042	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	137.1	174.3	-65.3	-171.5	-169.3	0	0	111	V44 S45 R46 I47 D63 F127 W130 R137	V44-E61 HydrophobicContact CG1-CG 4.39Å; S45-E61 VanDerWaalsContact O-OE2 3.11Å; R46-E61 WeakPolarHBondContact CA-OE1 3.17Å; R46-E61 VanDerWaalsContact CG-OE1 3.26Å; R46-E61 WeakPolarHBondContact CG-OE1 3.49Å; I47-E61 HydrophobicContact CB-CG 4.3Å; I47-E61 HydrophobicContact CD1-CG 4.38Å; I47-E61 HydrophobicContact CG1-CG 3.94Å; I47-E61 PolarHBondContact N-OE1 3.26Å; E61-D63 VanDerWaalsContact C-N 3.28Å; E61-F127 HydrophobicContact CB-CE1 4.35Å; E61-F127 HydrophobicContact CB-CZ 4.22Å; E61-F127 HydrophobicContact CG-CE1 3.93Å; E61-F127 HydrophobicContact CG-CZ 3.58Å; E61-F127 WeakPolarHBondContact OE1-CE1 3.36Å; E61-F127 WeakPolarHBondContact OE1-CZ 3.4Å; E61-F127 WeakPolarHBondContact OE2-CE1 3.34Å; E61-W130 WeakPolarHBondContact O-CZ2 3.35Å; E61-R137 IonicContact OE2-CZ 2.66Å; E61-R137 IonicContact OE2-NH1 2.74Å; E61-R137 PolarHBondContact OE2-NH1 3.28Å; E61-R137 IonicContact OE2-NH2 2.72Å; E61-R137 PolarHBondContact OE2-NH2 2.83Å
62	G	82.3	Confident	88	Confident	11 Å²	11	38.6 Å²	38.6	11%	0.113	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	-10.9	-172.9	0	0	0	0	0	113.9	V44	V44-G62 PolarHBondContact O-N 3.35Å
63	D	88.2	Confident	88	Confident	8 Å²	8	37.8 Å²	37.8	4%	0.043	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-62.6	140.1	172.7	-74	-16.1	0	0	0	110.6	Y43 V44 L59 Q60 E61 H98	Y43-D63 CarbonylContact C-O 3.55Å; Y43-D63 VanDerWaalsContact CA-O 3.27Å; Y43-D63 WeakPolarHBondContact CA-O 3.35Å; V44-D63 HydrophobicContact CG2-CB 4.29Å; V44-D63 PolarHBondContact N-O 3.2Å; L59-D63 HydrophobicContact CD1-CB 4.43Å; Q60-D63 WeakPolarHBondContact CA-OD2 3.47Å; Q60-D63 WeakPolarHBondContact CB-OD2 3.27Å; Q60-D63 PolarHBondContact N-OD2 2.77Å; Q60-D63 VanDerWaalsContact O-CB 3.26Å; Q60-D63 WeakPolarHBondContact O-CB 3.45Å; Q60-D63 VanDerWaalsContact O-CG 3.31Å; Q60-D63 PolarHBondContact O-N 3.42Å; E61-D63 VanDerWaalsContact C-N 3.28Å; D63-H98 IonicContact OD1-CE1 2.68Å; D63-H98 IonicContact OD1-CG 2.97Å; D63-H98 IonicContact OD1-ND1 3.05Å; D63-H98 PolarHBondContact OD1-ND1 3.22Å; D63-H98 IonicContact OD2-CE1 2.7Å; D63-H98 PolarHBondContact OD2-CE1 3.07Å; D63-H98 IonicContact OD2-ND1 3.37Å; D63-H98 PolarHBondContact OD2-ND1 2.85Å
64	K	89.9	Confident	87.7	Confident	38 Å²	38	44.1 Å²	44.1	17%	0.165	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.8	173.6	-172.9	179.1	-169.4	169.9	0	109.2	D39 I42 Y43 L66 V96 Q97	D39-K64 IonicContact OD1-NZ 3.73Å; D39-K64 PolarHBondContact OD1-NZ 2.59Å; D39-K64 IonicContact OD2-NZ 3.88Å; D39-K64 PolarHBondContact OD2-NZ 3.4Å; I42-K64 CarbonylContact O-C 3.57Å; I42-K64 WeakPolarHBondContact O-CA 3.32Å; Y43-K64 HydrophobicContact CD1-CB 3.81Å; Y43-K64 HydrophobicContact CD1-CG 4.1Å; Y43-K64 HydrophobicContact CE1-CB 3.69Å; Y43-K64 HydrophobicContact CE1-CD 3.96Å; Y43-K64 HydrophobicContact CE1-CG 3.76Å; K64-L66 HydrophobicContact CD-CD2 4.2Å; K64-L66 HydrophobicContact CG-CD2 4.3Å; K64-V96 CarbonylContact O-C 3.17Å; K64-V96 VanDerWaalsContact O-CA 3.28Å; K64-V96 WeakPolarHBondContact O-CA 3.13Å; K64-Q97 HydrophobicContact CB-CB 4.29Å; K64-Q97 PolarHBondContact N-O 3.36Å; K64-Q97 PolarHBondContact O-N 3.19Å
65	I	93.1	Very high	87.6	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.1	175.8	-46.5	177.2	0	0	0	108.1	F25 I27 I42 V44 V68 L73 F85 V96	F25-I65 HydrophobicContact CE2-CD1 3.82Å; F25-I65 HydrophobicContact CZ-CD1 4.35Å; I27-I65 HydrophobicContact CG2-CD1 3.95Å; I42-I65 PolarHBondContact O-N 3.33Å; V44-I65 HydrophobicContact CG2-CD1 3.89Å; V44-I65 HydrophobicContact CG2-CG1 4.05Å; I65-V68 HydrophobicContact CG2-CG2 4.29Å; I65-L73 HydrophobicContact CB-CD1 3.9Å; I65-L73 HydrophobicContact CG2-CD1 3.63Å; I65-F85 HydrophobicContact CB-CZ 4.41Å; I65-F85 HydrophobicContact CD1-CE1 3.98Å; I65-F85 HydrophobicContact CD1-CE2 4.37Å; I65-F85 HydrophobicContact CD1-CZ 3.44Å; I65-F85 VanDerWaalsContact CD1-CZ 3.44Å; I65-F85 HydrophobicContact CG2-CZ 4Å; I65-V96 HydrophobicContact CG1-CG1 4.2Å; I65-V96 HydrophobicContact CG2-CG1 4.31Å
66	L	92.5	Very high	87.8	Confident	18 Å²	18	44 Å²	44	9%	0.094	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-43.5	-178.1	-59.4	179.4	0	0	0	111.3	E11 K64 L73 R95 Q97	E11-L66 HydrophobicContact CG-CD1 3.9Å; E11-L66 WeakPolarHBondContact OE1-CD1 3.4Å; K64-L66 HydrophobicContact CD-CD2 4.2Å; K64-L66 HydrophobicContact CG-CD2 4.3Å; L66-L73 PolarHBondContact O-N 3.14Å; L66-R95 HydrophobicContact CB-CB 4.41Å; L66-R95 HydrophobicContact CB-CG 4.3Å; L66-R95 WeakPolarHBondContact CB-O 3.32Å; L66-R95 HydrophobicContact CD1-CG 4.19Å; L66-R95 PolarHBondContact N-O 2.86Å; L66-Q97 HydrophobicContact CD1-CB 4.09Å; L66-Q97 HydrophobicContact CD2-CB 4.36Å; L66-Q97 HydrophobicContact CG-CB 4.22Å
67	S	93.9	Very high	88	Confident	8 Å²	8	45 Å²	45	6%	0.056	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	158.3	-179.5	68.2	0	0	0	0	113.3	Q71 R95	S67-Q71 CarbonylContact C-O 3.5Å; S67-Q71 WeakPolarHBondContact CA-O 3.4Å; S67-Q71 WeakPolarHBondContact CB-O 3.4Å; S67-R95 PolarHBondContact N-O 3.32Å; S67-R95 PolarHBondContact O-N 2.88Å; S67-R95 VanDerWaalsContact OG-CB 3.26Å; S67-R95 WeakPolarHBondContact OG-CB 3.41Å
68	V	94.1	Very high	88.3	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.8	177.8	-177.4	0	0	0	0	108.6	I65 G70 Q71 L73 F85 A88 V92 S93 L94	I65-V68 HydrophobicContact CG2-CG2 4.29Å; V68-G70 PolarHBondContact O-N 2.85Å; V68-G70 VanDerWaalsContact O-N 3.15Å; V68-Q71 PolarHBondContact N-O 3.42Å; V68-Q71 WeakPolarHBondContact O-CB 3.03Å; V68-Q71 PolarHBondContact O-N 3.15Å; V68-L73 HydrophobicContact CG2-CD1 3.64Å; V68-L73 HydrophobicContact CG2-CD2 4.02Å; V68-L73 HydrophobicContact CG2-CG 3.95Å; V68-F85 HydrophobicContact CG1-CD1 4.28Å; V68-F85 HydrophobicContact CG1-CE1 4.43Å; V68-F85 HydrophobicContact CG2-CD1 3.93Å; V68-F85 HydrophobicContact CG2-CE1 3.38Å; V68-F85 HydrophobicContact CG2-CE2 4.09Å; V68-F85 HydrophobicContact CG2-CZ 3.44Å; V68-F85 VanDerWaalsContact CG2-CZ 3.44Å; V68-A88 HydrophobicContact CG1-CB 3.84Å; V68-V92 HydrophobicContact CG1-CG1 3.77Å; V68-S93 CarbonylContact C-O 3.56Å; V68-S93 WeakPolarHBondContact CA-O 3.46Å; V68-L94 HydrophobicContact CB-CD2 4.26Å; V68-L94 HydrophobicContact CG1-CD2 4Å; V68-L94 HydrophobicContact CG2-CD2 3.77Å
69	N	91.9	Very high	88.5	Confident	64 Å²	64	45.6 Å²	45.6	34%	0.342	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	37	-176.1	-67.5	-9.4	0	0	0	113.1	Q71 A88 V92 S93	N69-Q71 VanDerWaalsContact C-N 3.27Å; N69-Q71 PolarHBondContact O-N 2.75Å; N69-A88 WeakPolarHBondContact ND2-CA 3.37Å; N69-A88 WeakPolarHBondContact ND2-CB 3.4Å; N69-A88 PolarHBondContact ND2-O 3.43Å; N69-V92 WeakPolarHBondContact OD1-CA 3.43Å; N69-S93 PolarHBondContact N-O 2.68Å; N69-S93 PolarHBondContact OD1-N 3.46Å
70	G	90.1	Very high	88.7	Confident	67 Å²	67	49 Å²	49	69%	0.691	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	1.4	-176.5	0	0	0	0	0	115.2	V68	V68-G70 PolarHBondContact O-N 2.85Å; V68-G70 VanDerWaalsContact O-N 3.15Å
71	Q	90.9	Very high	89.2	Confident	111 Å²	111	47.8 Å²	47.8	52%	0.519	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.5	173.7	-57.8	-174.3	-72.5	0	0	110.3	S67 V68 N69	S67-Q71 CarbonylContact C-O 3.5Å; S67-Q71 WeakPolarHBondContact CA-O 3.4Å; S67-Q71 WeakPolarHBondContact CB-O 3.4Å; V68-Q71 PolarHBondContact N-O 3.42Å; V68-Q71 WeakPolarHBondContact O-CB 3.03Å; V68-Q71 PolarHBondContact O-N 3.15Å; N69-Q71 VanDerWaalsContact C-N 3.27Å; N69-Q71 PolarHBondContact O-N 2.75Å
72	D	90.5	Very high	89.5	Confident	101 Å²	101	48.6 Å²	48.6	54%	0.54	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	136.3	179.2	-76.6	-40.3	0	0	0	111.8	K74	D72-K74 VanDerWaalsContact C-N 3.33Å
73	L	88.4	Confident	89.9	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	27%	0.272	C	S	.	.			trans	-92.7	9.6	176.9	-66.6	-176.8	0	0	0	113.4	I42 I65 L66 V68 L76 A81 L84 F85	I42-L73 HydrophobicContact CB-CD1 4.04Å; I42-L73 HydrophobicContact CG1-CB 4Å; I42-L73 HydrophobicContact CG1-CD1 4.09Å; I42-L73 HydrophobicContact CG2-CD1 4.29Å; I65-L73 HydrophobicContact CB-CD1 3.9Å; I65-L73 HydrophobicContact CG2-CD1 3.63Å; L66-L73 PolarHBondContact O-N 3.14Å; V68-L73 HydrophobicContact CG2-CD1 3.64Å; V68-L73 HydrophobicContact CG2-CD2 4.02Å; V68-L73 HydrophobicContact CG2-CG 3.95Å; L73-L76 HydrophobicContact CB-CD1 4.45Å; L73-L76 HydrophobicContact CD2-CD1 3.75Å; L73-A81 HydrophobicContact CD2-CB 4.27Å; L73-L84 HydrophobicContact CD2-CB 4.38Å; L73-L84 HydrophobicContact CD2-CD1 3.45Å; L73-L84 VanDerWaalsContact CD2-CD1 3.45Å; L73-F85 HydrophobicContact CD1-CE2 3.81Å; L73-F85 HydrophobicContact CD1-CZ 3.71Å
74	K	84.1	Confident	90	Very high	133 Å²	133	52 Å²	52	58%	0.578	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	135.4	-178	-65.6	179.1	-176.7	171.9	0	110.4	D72 L76	D72-K74 VanDerWaalsContact C-N 3.33Å; K74-L76 PolarHBondContact O-N 3.05Å
75	N	81.8	Confident	90	Very high	118 Å²	118	50.9 Å²	50.9	63%	0.631	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	27.7	176.3	-56.2	-46.7	0	0	0	114.9	T31 S40	T31-N75 VanDerWaalsContact CG2-C 3.47Å; T31-N75 HydrophobicContact CG2-CB 4.18Å; S40-N75 PolarHBondContact OG-OD1 3.35Å
76	L	87.3	Confident	89.8	Confident	40 Å²	40	58.2 Å²	58.2	21%	0.209	30%	0.301	C	S	.	.			trans	-88.8	156.4	173.6	-63.6	-173.5	0	0	0	111.1	G30 T31 L73 K74 D80 L84	G30-L76 CarbonylContact C-O 3.49Å; G30-L76 WeakPolarHBondContact CA-O 3.2Å; T31-L76 PolarHBondContact N-O 3.37Å; T31-L76 PolarHBondContact OG1-O 3.14Å; L73-L76 HydrophobicContact CB-CD1 4.45Å; L73-L76 HydrophobicContact CD2-CD1 3.75Å; K74-L76 PolarHBondContact O-N 3.05Å; L76-D80 HydrophobicContact CB-CB 4.2Å; L76-L84 HydrophobicContact CD1-CD1 3.35Å
77	L	89.7	Confident	89.7	Confident	76 Å²	76	63.9 Å²	63.9	40%	0.398	33%	0.332	S	S	.	.			trans	-70.3	155.6	164.6	-62.3	167.1	0	0	0	109.1	T31 D32 Q79 D80 A81	T31-L77 WeakPolarHBondContact OG1-CD2 3.31Å; D32-L77 HydrophobicContact CB-CD2 3.78Å; D32-L77 WeakPolarHBondContact OD1-CA 3.46Å; L77-Q79 PolarHBondContact O-N 2.76Å; L77-D80 HydrophobicContact CB-CB 4.4Å; L77-D80 WeakPolarHBondContact CB-OD2 3.48Å; L77-D80 PolarHBondContact N-OD2 3.26Å; L77-D80 PolarHBondContact O-N 3.22Å; L77-D80 VanDerWaalsContact O-N 3.14Å; L77-A81 PolarHBondContact O-N 3.01Å
78	H	88.3	Confident	89.3	Confident	34 Å²	34	64.1 Å²	64.1	16%	0.157	33%	0.334	C	S	.	.	H	α-helix	trans	-52.3	-45.2	174.7	-177.9	76.8	0	0	0	111.2	G29 D32 Q33 A81 V82	G29-H78 WeakPolarHBondContact O-CB 3.26Å; G29-H78 PolarHBondContact O-ND1 2.96Å; D32-H78 PolarHBondContact OD1-N 3.46Å; Q33-H78 HydrophobicContact CB-CB 4.37Å; Q33-H78 HydrophobicContact CG-CB 4.35Å; H78-A81 PolarHBondContact O-N 3.36Å; H78-V82 WeakPolarHBondContact O-CG2 2.93Å; H78-V82 PolarHBondContact O-N 2.94Å
79	Q	89.8	Confident	89.1	Confident	89 Å²	89	65.7 Å²	65.7	42%	0.416	35%	0.351	S	S	.	.	H	α-helix	trans	-65	-40.8	-179.4	-171.4	54.1	51.6	0	0	112.3	L77 A81 V82 D83	L77-Q79 PolarHBondContact O-N 2.76Å; Q79-A81 VanDerWaalsContact C-N 3.33Å; Q79-A81 PolarHBondContact O-N 3.14Å; Q79-V82 WeakPolarHBondContact O-CB 2.92Å; Q79-V82 PolarHBondContact O-N 2.76Å; Q79-D83 VanDerWaalsContact NE2-CG 3.33Å; Q79-D83 PolarHBondContact NE2-OD1 3.28Å; Q79-D83 PolarHBondContact NE2-OD2 2.81Å; Q79-D83 VanDerWaalsContact NE2-OD2 3.08Å; Q79-D83 PolarHBondContact O-N 2.9Å
80	D	91.2	Very high	89	Confident	74 Å²	74	70.8 Å²	70.8	40%	0.396	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-42	177.5	-63.8	-30.4	0	0	0	111.1	L76 L77 D83 L84	L76-D80 HydrophobicContact CB-CB 4.2Å; L77-D80 HydrophobicContact CB-CB 4.4Å; L77-D80 WeakPolarHBondContact CB-OD2 3.48Å; L77-D80 PolarHBondContact N-OD2 3.26Å; L77-D80 PolarHBondContact O-N 3.22Å; L77-D80 VanDerWaalsContact O-N 3.14Å; D80-D83 PolarHBondContact O-N 2.87Å; D80-L84 WeakPolarHBondContact O-CG 2.95Å; D80-L84 PolarHBondContact O-N 3.37Å
81	A	90.4	Very high	89	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-61	-47.5	174.5	0	0	0	0	0	111	I27 I42 L73 L77 H78 Q79 D83 L84 F85	I27-A81 HydrophobicContact CD1-CB 4.21Å; I42-A81 HydrophobicContact CD1-CB 3.57Å; I42-A81 HydrophobicContact CG1-CB 3.72Å; L73-A81 HydrophobicContact CD2-CB 4.27Å; L77-A81 PolarHBondContact O-N 3.01Å; H78-A81 PolarHBondContact O-N 3.36Å; Q79-A81 VanDerWaalsContact C-N 3.33Å; Q79-A81 PolarHBondContact O-N 3.14Å; A81-D83 VanDerWaalsContact C-N 3.28Å; A81-D83 PolarHBondContact O-N 3.28Å; A81-L84 WeakPolarHBondContact O-CB 3.16Å; A81-L84 PolarHBondContact O-N 2.75Å; A81-F85 WeakPolarHBondContact O-CD2 3.48Å; A81-F85 PolarHBondContact O-N 3.08Å
82	V	90.6	Very high	89.2	Confident	25 Å²	25	65.6 Å²	65.6	15%	0.152	34%	0.336	C	S	.	.	H	α-helix	trans	-56.3	-43.5	175.8	170.6	0	0	0	0	111.3	I27 H78 Q79 F85 R86	I27-V82 HydrophobicContact CD1-CG2 3.82Å; I27-V82 HydrophobicContact CG1-CG2 4.26Å; H78-V82 WeakPolarHBondContact O-CG2 2.93Å; H78-V82 PolarHBondContact O-N 2.94Å; Q79-V82 WeakPolarHBondContact O-CB 2.92Å; Q79-V82 PolarHBondContact O-N 2.76Å; V82-F85 PolarHBondContact O-N 3.4Å; V82-R86 HydrophobicContact CG1-CG 4.42Å; V82-R86 WeakPolarHBondContact O-CG 3.38Å; V82-R86 PolarHBondContact O-N 2.85Å
83	D	91.3	Very high	89.4	Confident	56 Å²	56	62.5 Å²	62.5	30%	0.299	32%	0.322	S	S	.	.	H	α-helix	trans	-70	-33.7	-178.7	-69.3	-28.1	0	0	0	112.1	Q79 D80 A81 R86 N87	Q79-D83 VanDerWaalsContact NE2-CG 3.33Å; Q79-D83 PolarHBondContact NE2-OD1 3.28Å; Q79-D83 PolarHBondContact NE2-OD2 2.81Å; Q79-D83 VanDerWaalsContact NE2-OD2 3.08Å; Q79-D83 PolarHBondContact O-N 2.9Å; D80-D83 PolarHBondContact O-N 2.87Å; A81-D83 VanDerWaalsContact C-N 3.28Å; A81-D83 PolarHBondContact O-N 3.28Å; D83-R86 PolarHBondContact O-N 3.01Å; D83-R86 IonicContact OD1-NH1 2.85Å; D83-R86 PolarHBondContact OD1-NH1 2.8Å; D83-N87 VanDerWaalsContact O-CB 3.27Å; D83-N87 WeakPolarHBondContact O-CB 3.12Å; D83-N87 PolarHBondContact O-N 3.38Å; D83-N87 PolarHBondContact O-ND2 3.26Å; D83-N87 VanDerWaalsContact O-ND2 3.14Å
84	L	91.3	Very high	89.6	Confident	35 Å²	35	62.4 Å²	62.4	18%	0.183	32%	0.322	C	S	.	.	H	α-helix	trans	-60.4	-48	168.2	-73.6	172.4	0	0	0	111.7	L73 L76 D80 A81 R86 N87 A88	L73-L84 HydrophobicContact CD2-CB 4.38Å; L73-L84 HydrophobicContact CD2-CD1 3.45Å; L73-L84 VanDerWaalsContact CD2-CD1 3.45Å; L76-L84 HydrophobicContact CD1-CD1 3.35Å; D80-L84 WeakPolarHBondContact O-CG 2.95Å; D80-L84 PolarHBondContact O-N 3.37Å; A81-L84 WeakPolarHBondContact O-CB 3.16Å; A81-L84 PolarHBondContact O-N 2.75Å; L84-R86 VanDerWaalsContact C-N 3.27Å; L84-R86 PolarHBondContact O-N 2.7Å; L84-N87 PolarHBondContact O-N 2.87Å; L84-A88 VanDerWaalsContact O-CB 3.3Å; L84-A88 WeakPolarHBondContact O-CB 3.34Å; L84-A88 PolarHBondContact O-N 3.12Å
85	F	89.9	Confident	90.1	Very high	15 Å²	15	61.5 Å²	61.5	7%	0.066	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-32.1	176.2	-73.5	-75.3	0	0	0	112.8	R18 L23 F25 I27 I42 I65 V68 L73 A81 V82 L94	R18-F85 PolarHBondContact NH2-O 2.85Å; L23-F85 HydrophobicContact CD1-CB 4.35Å; L23-F85 HydrophobicContact CD1-CD1 3.78Å; F25-F85 HydrophobicContact CE2-CD1 4.34Å; F25-F85 AromaticContact CE2-CE1 3.96Å; F25-F85 HydrophobicContact CE2-CE1 3.96Å; F25-F85 HydrophobicContact CE2-CZ 4.33Å; F25-F85 AromaticContact CZ-CD1 3.96Å; F25-F85 HydrophobicContact CZ-CD1 3.96Å; F25-F85 AromaticContact CZ-CE1 3.7Å; F25-F85 HydrophobicContact CZ-CE1 3.7Å; F25-F85 HydrophobicContact CZ-CZ 4.48Å; I27-F85 HydrophobicContact CD1-CD2 3.59Å; I27-F85 HydrophobicContact CD1-CE2 3.59Å; I27-F85 HydrophobicContact CG2-CE2 4.09Å; I27-F85 HydrophobicContact CG2-CZ 4.32Å; I42-F85 HydrophobicContact CG2-CE2 4.34Å; I65-F85 HydrophobicContact CB-CZ 4.41Å; I65-F85 HydrophobicContact CD1-CE1 3.98Å; I65-F85 HydrophobicContact CD1-CE2 4.37Å; I65-F85 HydrophobicContact CD1-CZ 3.44Å; I65-F85 VanDerWaalsContact CD1-CZ 3.44Å; I65-F85 HydrophobicContact CG2-CZ 4Å; V68-F85 HydrophobicContact CG1-CD1 4.28Å; V68-F85 HydrophobicContact CG1-CE1 4.43Å; V68-F85 HydrophobicContact CG2-CD1 3.93Å; V68-F85 HydrophobicContact CG2-CE1 3.38Å; V68-F85 HydrophobicContact CG2-CE2 4.09Å; V68-F85 HydrophobicContact CG2-CZ 3.44Å; V68-F85 VanDerWaalsContact CG2-CZ 3.44Å; L73-F85 HydrophobicContact CD1-CE2 3.81Å; L73-F85 HydrophobicContact CD1-CZ 3.71Å; A81-F85 WeakPolarHBondContact O-CD2 3.48Å; A81-F85 PolarHBondContact O-N 3.08Å; V82-F85 PolarHBondContact O-N 3.4Å; F85-L94 HydrophobicContact CD1-CD2 4.19Å; F85-L94 HydrophobicContact CE1-CD2 3.52Å; F85-L94 HydrophobicContact CZ-CD2 4.49Å
86	R	88.3	Confident	90.7	Very high	155 Å²	155	55.9 Å²	55.9	59%	0.585	29%	0.285	S	S	*	.	H	α-helix	trans	-71	-42.9	175.3	-74.8	172.8	175.2	167.8	-2.1	111.6	V82 D83 L84 A88	V82-R86 HydrophobicContact CG1-CG 4.42Å; V82-R86 WeakPolarHBondContact O-CG 3.38Å; V82-R86 PolarHBondContact O-N 2.85Å; D83-R86 PolarHBondContact O-N 3.01Å; D83-R86 IonicContact OD1-NH1 2.85Å; D83-R86 PolarHBondContact OD1-NH1 2.8Å; L84-R86 VanDerWaalsContact C-N 3.27Å; L84-R86 PolarHBondContact O-N 2.7Å; R86-A88 VanDerWaalsContact C-N 3.34Å
87	N	89.1	Confident	90.8	Very high	137 Å²	137	56 Å²	56	73%	0.733	28%	0.284	S	S	*	.	H	α-helix	trans	-82.7	-9.7	-177.3	-66.1	-28.5	0	0	0	113.8	D83 L84 G89	D83-N87 VanDerWaalsContact O-CB 3.27Å; D83-N87 WeakPolarHBondContact O-CB 3.12Å; D83-N87 PolarHBondContact O-N 3.38Å; D83-N87 PolarHBondContact O-ND2 3.26Å; D83-N87 VanDerWaalsContact O-ND2 3.14Å; L84-N87 PolarHBondContact O-N 2.87Å; N87-G89 PolarHBondContact O-N 3.33Å
88	A	87.1	Confident	90.6	Very high	13 Å²	13	52.7 Å²	52.7	11%	0.107	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-9.4	178.9	0	0	0	0	0	114.5	V68 N69 L84 R86 V92	V68-A88 HydrophobicContact CG1-CB 3.84Å; N69-A88 WeakPolarHBondContact ND2-CA 3.37Å; N69-A88 WeakPolarHBondContact ND2-CB 3.4Å; N69-A88 PolarHBondContact ND2-O 3.43Å; L84-A88 VanDerWaalsContact O-CB 3.3Å; L84-A88 WeakPolarHBondContact O-CB 3.34Å; L84-A88 PolarHBondContact O-N 3.12Å; R86-A88 VanDerWaalsContact C-N 3.34Å; A88-V92 HydrophobicContact CB-CB 4.29Å; A88-V92 HydrophobicContact CB-CG1 3.84Å; A88-V92 HydrophobicContact CB-CG2 3.57Å
89	G	88.7	Confident	90.1	Very high	35 Å²	35	54.8 Å²	54.8	36%	0.361	27%	0.273	S	S	.	.			trans	79	-155	174.5	0	0	0	0	0	113.3	R18 N87	R18-G89 PolarHBondContact NE-O 2.95Å; R18-G89 PolarHBondContact NH2-O 3.36Å; R18-G89 VanDerWaalsContact NH2-O 3.12Å; N87-G89 PolarHBondContact O-N 3.33Å
90	Y	89.8	Confident	89.2	Confident	171 Å²	171	51.5 Å²	51.5	67%	0.671	26%	0.258	S	S	*	.	S	Bend	trans	-79.3	-42.6	-175.9	-178.2	-106.1	0	0	0	112.9	T17 R18	T17-Y90 CarbonylContact C-O 3.6Å; T17-Y90 HydrophobicContact CG2-CD1 3.92Å; T17-Y90 HydrophobicContact CG2-CD2 4.3Å; T17-Y90 HydrophobicContact CG2-CE1 3.25Å; T17-Y90 HydrophobicContact CG2-CE2 3.69Å; T17-Y90 HydrophobicContact CG2-CG 4.41Å; T17-Y90 VanDerWaalsContact CG2-OH 3.26Å; T17-Y90 WeakPolarHBondContact CG2-OH 3.31Å; R18-Y90 HydrophobicContact CB-CD2 4.35Å; R18-Y90 WeakPolarHBondContact CB-O 3.39Å; R18-Y90 PolarHBondContact N-O 3.26Å; R18-Y90 WeakPolarHBondContact O-CE2 3.5Å
91	A	91.5	Very high	88.4	Confident	67 Å²	67	49.2 Å²	49.2	55%	0.554	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101	124.3	174.4	0	0	0	0	0	108.8
92	V	93.6	Very high	87.5	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	116	-175.9	-175.7	0	0	0	0	109.3	L16 L23 V68 N69 A88 L94	L16-V92 PolarHBondContact N-O 2.94Å; L16-V92 PolarHBondContact O-N 2.77Å; L23-V92 HydrophobicContact CD1-CG1 4.24Å; L23-V92 HydrophobicContact CD1-CG2 4.33Å; L23-V92 HydrophobicContact CD2-CB 3.96Å; L23-V92 HydrophobicContact CD2-CG2 3.72Å; V68-V92 HydrophobicContact CG1-CG1 3.77Å; N69-V92 WeakPolarHBondContact OD1-CA 3.43Å; A88-V92 HydrophobicContact CB-CB 4.29Å; A88-V92 HydrophobicContact CB-CG1 3.84Å; A88-V92 HydrophobicContact CB-CG2 3.57Å; V92-L94 HydrophobicContact CG1-CD2 3.52Å; V92-L94 HydrophobicContact CG1-CG 4.06Å
93	S	94.3	Very high	86.6	Confident	36 Å²	36	56.4 Å²	56.4	25%	0.252	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	115.3	174.1	-57.2	0	0	0	0	109.1	N15 V68 N69	N15-S93 VanDerWaalsContact OD1-CB 3.32Å; N15-S93 WeakPolarHBondContact OD1-CB 3.43Å; N15-S93 PolarHBondContact OD1-OG 2.8Å; V68-S93 CarbonylContact C-O 3.56Å; V68-S93 WeakPolarHBondContact CA-O 3.46Å; N69-S93 PolarHBondContact N-O 2.68Å; N69-S93 PolarHBondContact OD1-N 3.46Å
94	L	94.3	Very high	85.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.4	179.4	-57.1	-177.9	0	0	0	108.7	E13 I14 L16 F25 L59 V68 F85 V92 V96	E13-L94 CarbonylContact C-O 3.46Å; E13-L94 WeakPolarHBondContact CA-O 3.49Å; I14-L94 PolarHBondContact N-O 3.25Å; I14-L94 PolarHBondContact O-N 2.86Å; L16-L94 HydrophobicContact CD1-CD1 3.74Å; L16-L94 HydrophobicContact CG-CD1 4.42Å; F25-L94 HydrophobicContact CE1-CD1 3.89Å; F25-L94 HydrophobicContact CZ-CD1 3.78Å; L59-L94 HydrophobicContact CD2-CD1 4.3Å; V68-L94 HydrophobicContact CB-CD2 4.26Å; V68-L94 HydrophobicContact CG1-CD2 4Å; V68-L94 HydrophobicContact CG2-CD2 3.77Å; F85-L94 HydrophobicContact CD1-CD2 4.19Å; F85-L94 HydrophobicContact CE1-CD2 3.52Å; F85-L94 HydrophobicContact CZ-CD2 4.49Å; V92-L94 HydrophobicContact CG1-CD2 3.52Å; V92-L94 HydrophobicContact CG1-CG 4.06Å; L94-V96 HydrophobicContact CB-CG1 4.12Å
95	R	94.6	Very high	84.8	Confident	113 Å²	113	55.7 Å²	55.7	43%	0.426	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.5	162.6	-172.9	173.9	-87	167.5	-6.7	107.9	E12 L66 S67	E12-R95 WeakPolarHBondContact O-CA 3.46Å; L66-R95 HydrophobicContact CB-CB 4.41Å; L66-R95 HydrophobicContact CB-CG 4.3Å; L66-R95 WeakPolarHBondContact CB-O 3.32Å; L66-R95 HydrophobicContact CD1-CG 4.19Å; L66-R95 PolarHBondContact N-O 2.86Å; S67-R95 PolarHBondContact N-O 3.32Å; S67-R95 PolarHBondContact O-N 2.88Å; S67-R95 VanDerWaalsContact OG-CB 3.26Å; S67-R95 WeakPolarHBondContact OG-CB 3.41Å
96	V	93.6	Very high	84.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	157	-178.3	-57.6	0	0	0	0	111	E11 E12 I14 L59 K64 I65 L94	E11-V96 CarbonylContact C-O 3.6Å; E11-V96 VanDerWaalsContact CA-O 3.28Å; E11-V96 WeakPolarHBondContact CA-O 3.17Å; E12-V96 HydrophobicContact CB-CG2 4.4Å; E12-V96 PolarHBondContact N-O 2.9Å; E12-V96 PolarHBondContact O-N 2.77Å; I14-V96 HydrophobicContact CD1-CG2 3.51Å; I14-V96 HydrophobicContact CG1-CG2 4.04Å; L59-V96 HydrophobicContact CD1-CB 4.41Å; L59-V96 HydrophobicContact CD1-CG1 3.64Å; K64-V96 CarbonylContact O-C 3.17Å; K64-V96 VanDerWaalsContact O-CA 3.28Å; K64-V96 WeakPolarHBondContact O-CA 3.13Å; I65-V96 HydrophobicContact CG1-CG1 4.2Å; I65-V96 HydrophobicContact CG2-CG1 4.31Å; L94-V96 HydrophobicContact CB-CG1 4.12Å
97	Q	89.6	Confident	83.6	Confident	43 Å²	43	59.1 Å²	59.1	20%	0.201	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.6	173.1	179.6	178.5	90	0	0	108.3	V9 T10 E11 K64 L66	V9-Q97 HydrophobicContact CB-CG 4.09Å; V9-Q97 HydrophobicContact CG1-CG 4.39Å; T10-Q97 CarbonylContact O-C 3.35Å; T10-Q97 WeakPolarHBondContact O-CA 3.26Å; E11-Q97 HydrophobicContact CG-CB 4.47Å; K64-Q97 HydrophobicContact CB-CB 4.29Å; K64-Q97 PolarHBondContact N-O 3.36Å; K64-Q97 PolarHBondContact O-N 3.19Å; L66-Q97 HydrophobicContact CD1-CB 4.09Å; L66-Q97 HydrophobicContact CD2-CB 4.36Å; L66-Q97 HydrophobicContact CG-CB 4.22Å
98	H	85.6	Confident	82.9	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.028	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	134.6	172.4	-57.6	-63.1	0	0	0	109.1	V9 T10 E12 R58 D63	V9-H98 WeakPolarHBondContact CA-O 3.28Å; T10-H98 PolarHBondContact N-O 3.29Å; T10-H98 VanDerWaalsContact N-O 3.12Å; T10-H98 PolarHBondContact O-N 2.78Å; E12-H98 IonicContact OE2-CD2 3.76Å; E12-H98 IonicContact OE2-NE2 3.08Å; E12-H98 PolarHBondContact OE2-NE2 3.14Å; R58-H98 PolarHBondContact O-CE1 2.79Å; D63-H98 IonicContact OD1-CE1 2.68Å; D63-H98 IonicContact OD1-CG 2.97Å; D63-H98 IonicContact OD1-ND1 3.05Å; D63-H98 PolarHBondContact OD1-ND1 3.22Å; D63-H98 IonicContact OD2-CE1 2.7Å; D63-H98 PolarHBondContact OD2-CE1 3.07Å; D63-H98 IonicContact OD2-ND1 3.37Å; D63-H98 PolarHBondContact OD2-ND1 2.85Å
99	R	77.6	Confident	82.4	Confident	78 Å²	78	59.1 Å²	59.1	29%	0.294	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.6	163.7	-101.4	-175	173.1	158.5	-5.2	109	V9 L144	V9-R99 HydrophobicContact CG1-CG 4.04Å; R99-L144 VanDerWaalsContact NH2-CD2 3.29Å
100	M	71.8	Confident	82	Confident	20 Å²	20	63.3 Å²	63.3	10%	0.099	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.4	173.9	-166.3	152.7	57	0	0	110.2	L8 L104 E105 L115	L8-M100 PolarHBondContact N-O 2.8Å; L8-M100 PolarHBondContact O-N 3.39Å; M100-L104 HydrophobicContact CG-CD2 3.9Å; M100-L104 HydrophobicContact SD-CD2 4.48Å; M100-E105 HydrophobicContact CE-CB 4Å; M100-E105 HydrophobicContact CE-CG 3.69Å; M100-E105 HydrophobicContact CG-CB 4.39Å; M100-E105 HydrophobicContact SD-CB 4.48Å; M100-L115 HydrophobicContact CE-CD1 4.45Å; M100-L115 HydrophobicContact SD-CD1 3.73Å; M100-L115 HydrophobicContact SD-CD2 4.44Å
101	D	73.1	Confident	81.4	Confident	27 Å²	27	60.1 Å²	60.1	14%	0.144	29%	0.292	C	S	.	.			trans	-64.3	128.6	171.8	-175.7	-60	0	0	0	109.7	Y7 E103 L104 E105	Y7-D101 HydrophobicContact CD1-CB 4.48Å; Y7-D101 HydrophobicContact CE1-CB 4.32Å; D101-E103 VanDerWaalsContact C-N 3.32Å; D101-E103 PolarHBondContact O-N 2.76Å; D101-E103 WeakPolarHBondContact OD1-CA 3.49Å; D101-E103 VanDerWaalsContact OD1-CB 3.27Å; D101-E103 WeakPolarHBondContact OD1-CB 3.46Å; D101-E103 PolarHBondContact OD1-N 3.06Å; D101-L104 HydrophobicContact CB-CB 3.94Å; D101-L104 HydrophobicContact CB-CD2 4.41Å; D101-L104 WeakPolarHBondContact O-CB 3.36Å; D101-L104 PolarHBondContact O-N 3.37Å; D101-L104 PolarHBondContact OD1-N 3.05Å; D101-E105 PolarHBondContact O-N 2.84Å
102	P	71.9	Confident	80.7	Confident	43 Å²	43	66.3 Å²	66.3	28%	0.279	31%	0.306	S	S	.	.	H	α-helix	trans	-66.1	-30.5	-178.4	25.5	-33.4	0	0	0	113.3	V5 L8 L104 K106	V5-P102 HydrophobicContact CG1-CG 4.29Å; L8-P102 HydrophobicContact CD1-CB 4.39Å; L8-P102 HydrophobicContact CG-CB 4.32Å; P102-L104 VanDerWaalsContact C-N 3.33Å; P102-K106 VanDerWaalsContact O-CB 3.26Å; P102-K106 WeakPolarHBondContact O-CB 3.47Å; P102-K106 PolarHBondContact O-N 2.92Å
103	E	72	Confident	79.6	Confident	133 Å²	133	68.8 Å²	68.8	62%	0.621	32%	0.319	S	S	*	.	H	α-helix	trans	-68.6	-37.4	175	-63.8	-163.1	71.4	0	0	111.3	D101 K107	D101-E103 VanDerWaalsContact C-N 3.32Å; D101-E103 PolarHBondContact O-N 2.76Å; D101-E103 WeakPolarHBondContact OD1-CA 3.49Å; D101-E103 VanDerWaalsContact OD1-CB 3.27Å; D101-E103 WeakPolarHBondContact OD1-CB 3.46Å; D101-E103 PolarHBondContact OD1-N 3.06Å; E103-K107 WeakPolarHBondContact O-CB 3.48Å; E103-K107 VanDerWaalsContact O-CG 3.3Å; E103-K107 WeakPolarHBondContact O-CG 3.28Å; E103-K107 PolarHBondContact O-N 3.25Å
104	L	70.5	Confident	78.3	Confident	22 Å²	22	69.7 Å²	69.7	12%	0.115	33%	0.325	C	S	.	.	H	α-helix	trans	-67.6	-47.2	173.5	166.9	76	0	0	0	111.9	M100 D101 P102 K106 K107 L108 I133	M100-L104 HydrophobicContact CG-CD2 3.9Å; M100-L104 HydrophobicContact SD-CD2 4.48Å; D101-L104 HydrophobicContact CB-CB 3.94Å; D101-L104 HydrophobicContact CB-CD2 4.41Å; D101-L104 WeakPolarHBondContact O-CB 3.36Å; D101-L104 PolarHBondContact O-N 3.37Å; D101-L104 PolarHBondContact OD1-N 3.05Å; P102-L104 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 2.97Å; L104-K107 PolarHBondContact O-N 2.83Å; L104-K107 VanDerWaalsContact O-N 3.1Å; L104-L108 HydrophobicContact CD1-CD1 4.02Å; L104-L108 HydrophobicContact CD1-CG 4.24Å; L104-L108 HydrophobicContact CG-CD1 3.86Å; L104-L108 HydrophobicContact CG-CG 4.5Å; L104-L108 WeakPolarHBondContact O-CG 3.46Å; L104-L108 PolarHBondContact O-N 2.85Å; L104-I133 WeakPolarHBondContact CD1-O 3.07Å; L104-I133 WeakPolarHBondContact CD2-O 3.47Å; L104-I133 VanDerWaalsContact CG-O 3.3Å; L104-I133 WeakPolarHBondContact CG-O 3.36Å
105	E	74.4	Confident	77	Confident	54 Å²	54	71.5 Å²	71.5	25%	0.252	34%	0.335	S	S	.	.	H	α-helix	trans	-56.6	-43	176.5	-168.9	-155.1	-152.7	0	0	110.1	L8 M100 D101 L108 K109	L8-E105 HydrophobicContact CD1-CB 3.98Å; L8-E105 HydrophobicContact CD1-CG 4.11Å; L8-E105 WeakPolarHBondContact CD1-OE2 3.26Å; M100-E105 HydrophobicContact CE-CB 4Å; M100-E105 HydrophobicContact CE-CG 3.69Å; M100-E105 HydrophobicContact CG-CB 4.39Å; M100-E105 HydrophobicContact SD-CB 4.48Å; D101-E105 PolarHBondContact O-N 2.84Å; E105-L108 PolarHBondContact O-N 3.01Å; E105-K109 VanDerWaalsContact CD-CE 3.48Å; E105-K109 HydrophobicContact CG-CD 4.27Å; E105-K109 WeakPolarHBondContact O-CB 3.41Å; E105-K109 WeakPolarHBondContact O-CG 3.33Å; E105-K109 PolarHBondContact O-N 2.82Å; E105-K109 VanDerWaalsContact OE1-CE 3.25Å; E105-K109 WeakPolarHBondContact OE1-CE 3.4Å; E105-K109 IonicContact OE1-NZ 2.9Å; E105-K109 PolarHBondContact OE1-NZ 2.89Å; E105-K109 IonicContact OE2-NZ 2.99Å; E105-K109 PolarHBondContact OE2-NZ 3.01Å
106	K	76.1	Confident	75.6	Confident	122 Å²	122	71.7 Å²	71.7	53%	0.53	34%	0.34	S	S	.	.	H	α-helix	trans	-60	-48.6	174.6	-177.4	177	171.9	-175.7	0	111.6	P102 L104 L108 K109 E110	P102-K106 VanDerWaalsContact O-CB 3.26Å; P102-K106 WeakPolarHBondContact O-CB 3.47Å; P102-K106 PolarHBondContact O-N 2.92Å; L104-K106 PolarHBondContact O-N 2.97Å; K106-L108 VanDerWaalsContact C-N 3.35Å; K106-L108 PolarHBondContact O-N 3.45Å; K106-K109 PolarHBondContact O-N 3.12Å; K106-E110 WeakPolarHBondContact CE-OE1 3.34Å; K106-E110 HydrophobicContact CG-CG 4.18Å; K106-E110 IonicContact NZ-OE1 3.9Å; K106-E110 VanDerWaalsContact O-CB 3.28Å; K106-E110 WeakPolarHBondContact O-CB 3.43Å; K106-E110 VanDerWaalsContact O-CG 3.24Å; K106-E110 WeakPolarHBondContact O-CG 3.33Å; K106-E110 PolarHBondContact O-N 3.13Å
107	K	75.8	Confident	74.2	Confident	120 Å²	120	74.4 Å²	74.4	52%	0.522	36%	0.359	S	S	.	.	H	α-helix	trans	-59.1	-42.4	176.5	-78	171.5	-177	171.1	0	112.5	E103 L104 N111	E103-K107 WeakPolarHBondContact O-CB 3.48Å; E103-K107 VanDerWaalsContact O-CG 3.3Å; E103-K107 WeakPolarHBondContact O-CG 3.28Å; E103-K107 PolarHBondContact O-N 3.25Å; L104-K107 PolarHBondContact O-N 2.83Å; L104-K107 VanDerWaalsContact O-N 3.1Å; K107-N111 WeakPolarHBondContact O-CB 3.13Å; K107-N111 PolarHBondContact O-N 3.16Å; K107-N111 PolarHBondContact O-ND2 2.99Å
108	L	74.1	Confident	73.3	Confident	18 Å²	18	74.7 Å²	74.7	9%	0.094	36%	0.361	C	S	.	.	H	α-helix	trans	-64.2	-46.1	178.5	-70.4	160.6	0	0	0	111.1	L104 E105 K106 K112 I113 L115 E118	L104-L108 HydrophobicContact CD1-CD1 4.02Å; L104-L108 HydrophobicContact CD1-CG 4.24Å; L104-L108 HydrophobicContact CG-CD1 3.86Å; L104-L108 HydrophobicContact CG-CG 4.5Å; L104-L108 WeakPolarHBondContact O-CG 3.46Å; L104-L108 PolarHBondContact O-N 2.85Å; E105-L108 PolarHBondContact O-N 3.01Å; K106-L108 VanDerWaalsContact C-N 3.35Å; K106-L108 PolarHBondContact O-N 3.45Å; L108-K112 WeakPolarHBondContact O-CA 3.27Å; L108-K112 PolarHBondContact O-N 3.49Å; L108-I113 HydrophobicContact CD2-CB 4.38Å; L108-I113 PolarHBondContact O-N 3.5Å; L108-L115 HydrophobicContact CD1-CD1 4.13Å; L108-L115 HydrophobicContact CD1-CD2 3.44Å; L108-L115 VanDerWaalsContact CD1-CD2 3.44Å; L108-L115 HydrophobicContact CD1-CG 3.6Å; L108-L115 HydrophobicContact CD2-CD2 4.43Å; L108-L115 HydrophobicContact CD2-CG 4.46Å; L108-E118 HydrophobicContact CD2-CG 4.08Å
109	K	77.1	Confident	72.3	Confident	132 Å²	132	78.9 Å²	78.9	57%	0.574	38%	0.377	S	S	*	.	H	α-helix	trans	-63.8	-45.5	176.1	-73.9	176.6	-179.1	166.8	0	112.4	E105 K106 K112	E105-K109 VanDerWaalsContact CD-CE 3.48Å; E105-K109 HydrophobicContact CG-CD 4.27Å; E105-K109 WeakPolarHBondContact O-CB 3.41Å; E105-K109 WeakPolarHBondContact O-CG 3.33Å; E105-K109 PolarHBondContact O-N 2.82Å; E105-K109 VanDerWaalsContact OE1-CE 3.25Å; E105-K109 WeakPolarHBondContact OE1-CE 3.4Å; E105-K109 IonicContact OE1-NZ 2.9Å; E105-K109 PolarHBondContact OE1-NZ 2.89Å; E105-K109 IonicContact OE2-NZ 2.99Å; E105-K109 PolarHBondContact OE2-NZ 3.01Å; K106-K109 PolarHBondContact O-N 3.12Å; K109-K112 PolarHBondContact O-N 3.3Å
110	E	81.3	Confident	71.7	Confident	122 Å²	122	79.9 Å²	79.9	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-63	-43.8	-179.9	-78	177.1	163.2	0	0	111.8	K106 K112	K106-E110 WeakPolarHBondContact CE-OE1 3.34Å; K106-E110 HydrophobicContact CG-CG 4.18Å; K106-E110 IonicContact NZ-OE1 3.9Å; K106-E110 VanDerWaalsContact O-CB 3.28Å; K106-E110 WeakPolarHBondContact O-CB 3.43Å; K106-E110 VanDerWaalsContact O-CG 3.24Å; K106-E110 WeakPolarHBondContact O-CG 3.33Å; K106-E110 PolarHBondContact O-N 3.13Å; E110-K112 PolarHBondContact O-N 2.95Å
111	N	76.7	Confident	71.5	Confident	104 Å²	104	85.6 Å²	85.6	56%	0.556	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-1.3	179.1	-65.2	-64.3	0	0	0	113.1	K107 I113	K107-N111 WeakPolarHBondContact O-CB 3.13Å; K107-N111 PolarHBondContact O-N 3.16Å; K107-N111 PolarHBondContact O-ND2 2.99Å; N111-I113 HydrophobicContact CB-CD1 3.47Å; N111-I113 VanDerWaalsContact CB-CD1 3.47Å; N111-I113 HydrophobicContact CB-CG1 3.6Å; N111-I113 WeakPolarHBondContact O-CG1 3.37Å; N111-I113 PolarHBondContact O-N 3.46Å
112	K	77	Confident	71	Confident	198 Å²	198	86 Å²	86	86%	0.861	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	37.7	-172.3	-62	179.9	177.5	177.9	0	112.6	L108 K109 E110	L108-K112 WeakPolarHBondContact O-CA 3.27Å; L108-K112 PolarHBondContact O-N 3.49Å; K109-K112 PolarHBondContact O-N 3.3Å; E110-K112 PolarHBondContact O-N 2.95Å
113	I	70.8	Confident	70.3	Confident	53 Å²	53	88.3 Å²	88.3	27%	0.272	42%	0.417	S	S	.	.			trans	-100.7	136.5	179.2	-53.8	172.7	0	0	0	108.3	L108 N111 E118	L108-I113 HydrophobicContact CD2-CB 4.38Å; L108-I113 PolarHBondContact O-N 3.5Å; N111-I113 HydrophobicContact CB-CD1 3.47Å; N111-I113 VanDerWaalsContact CB-CD1 3.47Å; N111-I113 HydrophobicContact CB-CG1 3.6Å; N111-I113 WeakPolarHBondContact O-CG1 3.37Å; N111-I113 PolarHBondContact O-N 3.46Å; I113-E118 HydrophobicContact CG2-CG 3.58Å
114	S	66.6	Low	69.9	Low	56 Å²	56	89 Å²	89	39%	0.392	43%	0.425	S	S	.	.			trans	-85.4	149.7	170.7	68.4	0	0	0	0	111.2	E116 S117 E118	S114-E116 PolarHBondContact O-N 2.72Å; S114-S117 WeakPolarHBondContact O-CA 2.75Å; S114-S117 WeakPolarHBondContact O-CB 2.97Å; S114-S117 PolarHBondContact O-N 2.68Å; S114-S117 WeakPolarHBondContact OG-CB 3.48Å; S114-S117 PolarHBondContact OG-N 2.93Å; S114-S117 VanDerWaalsContact OG-N 3.08Å; S114-S117 PolarHBondContact OG-OG 2.66Å; S114-E118 PolarHBondContact O-N 2.96Å; S114-E118 VanDerWaalsContact O-N 3.12Å
115	L	66.1	Low	69.4	Low	37 Å²	37	90.8 Å²	90.8	19%	0.194	44%	0.439	C	S	.	.	H	α-helix	trans	-55.6	-42.3	172.2	-77.8	150.1	0	0	0	111.5	M100 L108 S117 E118 Y119 I133 R134	M100-L115 HydrophobicContact CE-CD1 4.45Å; M100-L115 HydrophobicContact SD-CD1 3.73Å; M100-L115 HydrophobicContact SD-CD2 4.44Å; L108-L115 HydrophobicContact CD1-CD1 4.13Å; L108-L115 HydrophobicContact CD1-CD2 3.44Å; L108-L115 VanDerWaalsContact CD1-CD2 3.44Å; L108-L115 HydrophobicContact CD1-CG 3.6Å; L108-L115 HydrophobicContact CD2-CD2 4.43Å; L108-L115 HydrophobicContact CD2-CG 4.46Å; L115-S117 VanDerWaalsContact C-N 3.28Å; L115-S117 PolarHBondContact O-N 3.46Å; L115-E118 PolarHBondContact O-N 3.26Å; L115-Y119 WeakPolarHBondContact O-CB 3.41Å; L115-Y119 PolarHBondContact O-N 2.91Å; L115-I133 HydrophobicContact CD2-CG2 3.94Å; L115-R134 HydrophobicContact CD2-CG 4.37Å
116	E	65	Low	68.5	Low	118 Å²	118	96.4 Å²	96.4	55%	0.551	46%	0.462	S	S	*	.	H	α-helix	trans	-51.1	-46	169.9	-119.1	75.7	-170.7	0	0	112.6	S114 Y119 E120	S114-E116 PolarHBondContact O-N 2.72Å; E116-Y119 PolarHBondContact O-N 2.65Å; E116-E120 WeakPolarHBondContact O-CB 3.44Å; E116-E120 VanDerWaalsContact O-CG 3.27Å; E116-E120 WeakPolarHBondContact O-CG 3.22Å; E116-E120 PolarHBondContact O-N 2.99Å
117	S	65.9	Low	67.2	Low	56 Å²	56	94.1 Å²	94.1	39%	0.392	45%	0.452	S	S	.	.	H	α-helix	trans	-68.9	-36.4	-176.8	-63.2	0	0	0	0	112.4	S114 L115 K121	S114-S117 WeakPolarHBondContact O-CA 2.75Å; S114-S117 WeakPolarHBondContact O-CB 2.97Å; S114-S117 PolarHBondContact O-N 2.68Å; S114-S117 WeakPolarHBondContact OG-CB 3.48Å; S114-S117 PolarHBondContact OG-N 2.93Å; S114-S117 VanDerWaalsContact OG-N 3.08Å; S114-S117 PolarHBondContact OG-OG 2.66Å; L115-S117 VanDerWaalsContact C-N 3.28Å; L115-S117 PolarHBondContact O-N 3.46Å; S117-K121 WeakPolarHBondContact O-CG 3.3Å; S117-K121 PolarHBondContact O-N 3.12Å
118	E	70.3	Confident	66	Low	50 Å²	50	93 Å²	93	23%	0.234	45%	0.452	C	S	.	.	H	α-helix	trans	-72.3	-40.7	174.3	-71.6	-67.9	101	0	0	111.2	L108 I113 S114 L115 E120 K121 I122 I133	L108-E118 HydrophobicContact CD2-CG 4.08Å; I113-E118 HydrophobicContact CG2-CG 3.58Å; S114-E118 PolarHBondContact O-N 2.96Å; S114-E118 VanDerWaalsContact O-N 3.12Å; L115-E118 PolarHBondContact O-N 3.26Å; E118-E120 PolarHBondContact O-N 3.2Å; E118-K121 WeakPolarHBondContact O-CB 3.19Å; E118-K121 PolarHBondContact O-N 2.82Å; E118-K121 WeakPolarHBondContact OE1-CD 3.31Å; E118-K121 WeakPolarHBondContact OE1-CE 3.25Å; E118-K121 IonicContact OE1-NZ 2.85Å; E118-K121 PolarHBondContact OE1-NZ 3.34Å; E118-I122 PolarHBondContact O-N 3.31Å; E118-I133 HydrophobicContact CB-CD1 3.75Å; E118-I133 HydrophobicContact CB-CG1 4.28Å; E118-I133 HydrophobicContact CB-CG2 4.12Å
119	Y	63.8	Low	65	Low	94 Å²	94	95.1 Å²	95.1	37%	0.369	46%	0.464	S	S	.	.	H	α-helix	trans	-57.1	-48.8	174.1	173	-97.3	0	0	0	111.2	L115 E116 K121 I122 K123	L115-Y119 WeakPolarHBondContact O-CB 3.41Å; L115-Y119 PolarHBondContact O-N 2.91Å; E116-Y119 PolarHBondContact O-N 2.65Å; Y119-K121 PolarHBondContact O-N 3.37Å; Y119-K121 VanDerWaalsContact O-N 3.17Å; Y119-I122 CarbonylContact O-C 3.46Å; Y119-I122 WeakPolarHBondContact O-CG1 3.49Å; Y119-I122 PolarHBondContact O-N 2.97Å; Y119-K123 HydrophobicContact CD1-CB 4.34Å; Y119-K123 HydrophobicContact CE1-CB 3.89Å; Y119-K123 HydrophobicContact CE2-CB 4.44Å; Y119-K123 WeakPolarHBondContact O-CB 3.39Å; Y119-K123 PolarHBondContact O-N 3.21Å
120	E	65.5	Low	63.9	Low	99 Å²	99	90 Å²	90	46%	0.463	44%	0.441	S	S	.	.	H	α-helix	trans	-59.2	-29.1	179.1	-78.3	-69.7	127.7	0	0	113.5	E116 E118 I122 K123	E116-E120 WeakPolarHBondContact O-CB 3.44Å; E116-E120 VanDerWaalsContact O-CG 3.27Å; E116-E120 WeakPolarHBondContact O-CG 3.22Å; E116-E120 PolarHBondContact O-N 2.99Å; E118-E120 PolarHBondContact O-N 3.2Å; E120-I122 VanDerWaalsContact C-N 3.33Å; E120-K123 WeakPolarHBondContact OE1-CD 3.25Å; E120-K123 IonicContact OE1-NZ 3.37Å; E120-K123 PolarHBondContact OE1-NZ 2.87Å; E120-K123 VanDerWaalsContact OE2-CE 3.27Å; E120-K123 WeakPolarHBondContact OE2-CE 3.38Å; E120-K123 IonicContact OE2-NZ 2.64Å; E120-K123 PolarHBondContact OE2-NZ 3.41Å
121	K	68	Low	62.5	Low	139 Å²	139	87.2 Å²	87.2	60%	0.604	43%	0.427	S	S	*	.	H	α-helix	trans	-73.4	-26.6	175.2	-69.5	169.4	-169.2	173.5	0	112.9	S117 E118 Y119	S117-K121 WeakPolarHBondContact O-CG 3.3Å; S117-K121 PolarHBondContact O-N 3.12Å; E118-K121 WeakPolarHBondContact O-CB 3.19Å; E118-K121 PolarHBondContact O-N 2.82Å; E118-K121 WeakPolarHBondContact OE1-CD 3.31Å; E118-K121 WeakPolarHBondContact OE1-CE 3.25Å; E118-K121 IonicContact OE1-NZ 2.85Å; E118-K121 PolarHBondContact OE1-NZ 3.34Å; Y119-K121 PolarHBondContact O-N 3.37Å; Y119-K121 VanDerWaalsContact O-N 3.17Å
122	I	61.8	Low	61.3	Low	35 Å²	35	88.7 Å²	88.7	18%	0.179	44%	0.435	C	S	.	.	H	α-helix	trans	-115.6	-1.9	-173.4	72.4	146.2	0	0	0	113.9	E118 Y119 E120 D124 S125 W130 I133	E118-I122 PolarHBondContact O-N 3.31Å; Y119-I122 CarbonylContact O-C 3.46Å; Y119-I122 WeakPolarHBondContact O-CG1 3.49Å; Y119-I122 PolarHBondContact O-N 2.97Å; E120-I122 VanDerWaalsContact C-N 3.33Å; I122-D124 PolarHBondContact O-N 2.93Å; I122-S125 WeakPolarHBondContact O-CA 3.4Å; I122-S125 WeakPolarHBondContact O-CB 3.5Å; I122-S125 PolarHBondContact O-N 3.1Å; I122-W130 HydrophobicContact CD1-CB 3.75Å; I122-I133 HydrophobicContact CB-CD1 4.37Å; I122-I133 HydrophobicContact CD1-CD1 3.2Å; I122-I133 HydrophobicContact CD1-CG1 4.12Å; I122-I133 HydrophobicContact CG1-CD1 3.41Å; I122-I133 VanDerWaalsContact CG1-CD1 3.41Å; I122-I133 HydrophobicContact CG2-CD1 4.1Å
123	K	57.6	Low	60.4	Low	93 Å²	93	79.9 Å²	79.9	40%	0.404	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.3	-176.5	69.3	178.7	179.3	179.9	0	113.2	Y119 E120	Y119-K123 HydrophobicContact CD1-CB 4.34Å; Y119-K123 HydrophobicContact CE1-CB 3.89Å; Y119-K123 HydrophobicContact CE2-CB 4.44Å; Y119-K123 WeakPolarHBondContact O-CB 3.39Å; Y119-K123 PolarHBondContact O-N 3.21Å; E120-K123 WeakPolarHBondContact OE1-CD 3.25Å; E120-K123 IonicContact OE1-NZ 3.37Å; E120-K123 PolarHBondContact OE1-NZ 2.87Å; E120-K123 VanDerWaalsContact OE2-CE 3.27Å; E120-K123 WeakPolarHBondContact OE2-CE 3.38Å; E120-K123 IonicContact OE2-NZ 2.64Å; E120-K123 PolarHBondContact OE2-NZ 3.41Å
124	D	62.8	Low	59.9	Low	148 Å²	148	79.3 Å²	79.3	79%	0.791	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.4	175.4	-63.7	-60.7	0	0	0	112.2	I122	I122-D124 PolarHBondContact O-N 2.93Å
125	S	60.2	Low	59.7	Low	58 Å²	58	77.6 Å²	77.6	41%	0.406	38%	0.383	S	S	.	.	S	Bend	trans	-87.3	170.6	173.1	-146	0	0	0	0	110.6	I122 F127 D129	I122-S125 WeakPolarHBondContact O-CA 3.4Å; I122-S125 WeakPolarHBondContact O-CB 3.5Å; I122-S125 PolarHBondContact O-N 3.1Å; S125-F127 PolarHBondContact O-N 3.05Å; S125-D129 WeakPolarHBondContact CB-OD2 3.46Å; S125-D129 PolarHBondContact OG-OD2 3.31Å
126	K	56.4	Low	59.7	Low	173 Å²	173	78.7 Å²	78.7	75%	0.752	39%	0.392	S	S	*	.			trans	-64.3	138.2	178.7	-70.5	-169.1	178.4	-175.8	0	109.5	D128 D129	K126-D128 PolarHBondContact O-N 2.97Å; K126-D129 VanDerWaalsContact O-CB 3.32Å; K126-D129 WeakPolarHBondContact O-CB 3.48Å; K126-D129 PolarHBondContact O-N 2.81Å
127	F	48.3	Very low	60	Low	73 Å²	73	74.7 Å²	74.7	32%	0.32	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-53.7	-23	-178.4	-163.7	-81.5	0	0	0	114.4	E61 S125 D129 W130	E61-F127 HydrophobicContact CB-CE1 4.35Å; E61-F127 HydrophobicContact CB-CZ 4.22Å; E61-F127 HydrophobicContact CG-CE1 3.93Å; E61-F127 HydrophobicContact CG-CZ 3.58Å; E61-F127 WeakPolarHBondContact OE1-CE1 3.36Å; E61-F127 WeakPolarHBondContact OE1-CZ 3.4Å; E61-F127 WeakPolarHBondContact OE2-CE1 3.34Å; S125-F127 PolarHBondContact O-N 3.05Å; F127-D129 VanDerWaalsContact C-N 3.3Å; F127-D129 PolarHBondContact O-N 3.41Å; F127-W130 AromaticContact CE1-CD1 3.46Å; F127-W130 VanDerWaalsContact CE1-CD1 3.46Å; F127-W130 HydrophobicContact CE1-CG 4.13Å; F127-W130 AromaticContact CE1-NE1 3.84Å; F127-W130 AromaticContact CZ-CD1 3.91Å; F127-W130 HydrophobicContact CZ-CG 4.22Å; F127-W130 VanDerWaalsContact O-CB 3.31Å; F127-W130 WeakPolarHBondContact O-CB 3.4Å; F127-W130 PolarHBondContact O-N 2.78Å
128	D	50.7	Low	60	Low	97 Å²	97	72.2 Å²	72.2	52%	0.519	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-67.1	-26.3	172.2	-92.3	-42.2	0	0	0	113.6	K126 W130 K131	K126-D128 PolarHBondContact O-N 2.97Å; D128-W130 PolarHBondContact O-N 3.37Å; D128-K131 VanDerWaalsContact O-CB 3.25Å; D128-K131 WeakPolarHBondContact O-CB 3.5Å; D128-K131 VanDerWaalsContact O-CG 3.31Å; D128-K131 WeakPolarHBondContact O-CG 3.33Å; D128-K131 PolarHBondContact O-N 3.34Å; D128-K131 VanDerWaalsContact O-N 3.12Å; D128-K131 WeakPolarHBondContact OD1-CE 3.45Å; D128-K131 IonicContact OD1-NZ 2.83Å; D128-K131 PolarHBondContact OD1-NZ 3.44Å
129	D	53.5	Low	60	Low	63 Å²	63	71.9 Å²	71.9	34%	0.337	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-67.3	-21.1	177.7	-63.8	-32.1	0	0	0	111.8	S125 K126 F127 K131 N132	S125-D129 WeakPolarHBondContact CB-OD2 3.46Å; S125-D129 PolarHBondContact OG-OD2 3.31Å; K126-D129 VanDerWaalsContact O-CB 3.32Å; K126-D129 WeakPolarHBondContact O-CB 3.48Å; K126-D129 PolarHBondContact O-N 2.81Å; F127-D129 VanDerWaalsContact C-N 3.3Å; F127-D129 PolarHBondContact O-N 3.41Å; D129-K131 PolarHBondContact O-N 2.94Å; D129-N132 WeakPolarHBondContact O-CB 3.42Å; D129-N132 PolarHBondContact O-N 2.9Å; D129-N132 VanDerWaalsContact O-N 3.16Å; D129-N132 PolarHBondContact O-ND2 3.31Å
130	W	53.3	Low	60.3	Low	24 Å²	24	71 Å²	71	9%	0.091	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-63	-23.7	172.9	131.5	-81.4	0	0	0	113.3	Q60 E61 I122 F127 D128 N132 I133 R134	Q60-W130 HydrophobicContact CB-CH2 3.7Å; Q60-W130 HydrophobicContact CB-CZ2 4.24Å; Q60-W130 HydrophobicContact CG-CH2 3.85Å; Q60-W130 HydrophobicContact CG-CZ3 4.19Å; Q60-W130 VanDerWaalsContact OE1-CH2 3.25Å; Q60-W130 VanDerWaalsContact OE1-CZ3 3.26Å; E61-W130 WeakPolarHBondContact O-CZ2 3.35Å; I122-W130 HydrophobicContact CD1-CB 3.75Å; F127-W130 AromaticContact CE1-CD1 3.46Å; F127-W130 VanDerWaalsContact CE1-CD1 3.46Å; F127-W130 HydrophobicContact CE1-CG 4.13Å; F127-W130 AromaticContact CE1-NE1 3.84Å; F127-W130 AromaticContact CZ-CD1 3.91Å; F127-W130 HydrophobicContact CZ-CG 4.22Å; F127-W130 VanDerWaalsContact O-CB 3.31Å; F127-W130 WeakPolarHBondContact O-CB 3.4Å; F127-W130 PolarHBondContact O-N 2.78Å; D128-W130 PolarHBondContact O-N 3.37Å; W130-N132 PolarHBondContact O-N 2.99Å; W130-N132 VanDerWaalsContact O-N 3.13Å; W130-I133 PolarHBondContact O-N 2.89Å; W130-R134 HydrophobicContact CE3-CG 4.36Å; W130-R134 HydrophobicContact CH2-CB 3.85Å; W130-R134 HydrophobicContact CH2-CG 3.55Å; W130-R134 HydrophobicContact CZ2-CB 4.12Å; W130-R134 HydrophobicContact CZ2-CG 4.32Å; W130-R134 HydrophobicContact CZ3-CB 4.23Å; W130-R134 HydrophobicContact CZ3-CG 3.6Å
131	K	52.3	Low	60.4	Low	63 Å²	63	66.6 Å²	66.6	27%	0.274	33%	0.33	S	S	.	.	H	α-helix	trans	-56	-29.3	173	-69.1	175	166.1	170.4	0	112.4	D128 D129 I133 G135 E140	D128-K131 VanDerWaalsContact O-CB 3.25Å; D128-K131 WeakPolarHBondContact O-CB 3.5Å; D128-K131 VanDerWaalsContact O-CG 3.31Å; D128-K131 WeakPolarHBondContact O-CG 3.33Å; D128-K131 PolarHBondContact O-N 3.34Å; D128-K131 VanDerWaalsContact O-N 3.12Å; D128-K131 WeakPolarHBondContact OD1-CE 3.45Å; D128-K131 IonicContact OD1-NZ 2.83Å; D128-K131 PolarHBondContact OD1-NZ 3.44Å; D129-K131 PolarHBondContact O-N 2.94Å; K131-I133 VanDerWaalsContact C-N 3.29Å; K131-I133 PolarHBondContact O-N 2.94Å; K131-G135 PolarHBondContact O-N 3.18Å; K131-E140 WeakPolarHBondContact CE-OE1 3.4Å; K131-E140 WeakPolarHBondContact CE-OE2 3.27Å; K131-E140 IonicContact NZ-OE1 2.65Å; K131-E140 PolarHBondContact NZ-OE1 2.77Å
132	N	52.3	Low	60.2	Low	136 Å²	136	63.9 Å²	63.9	73%	0.727	33%	0.326	S	S	*	.	H	α-helix	trans	-76.8	-14.1	-179.4	-64.7	-43.3	0	0	0	113.8	D129 W130	D129-N132 WeakPolarHBondContact O-CB 3.42Å; D129-N132 PolarHBondContact O-N 2.9Å; D129-N132 VanDerWaalsContact O-N 3.16Å; D129-N132 PolarHBondContact O-ND2 3.31Å; W130-N132 PolarHBondContact O-N 2.99Å; W130-N132 VanDerWaalsContact O-N 3.13Å
133	I	56.3	Low	60.3	Low	12 Å²	12	66.2 Å²	66.2	6%	0.062	34%	0.34	C	S	.	.	H	α-helix	trans	-99.2	-23.2	-176.7	-62.5	177.4	0	0	0	112.3	L104 L115 E118 I122 W130 K131	L104-I133 WeakPolarHBondContact CD1-O 3.07Å; L104-I133 WeakPolarHBondContact CD2-O 3.47Å; L104-I133 VanDerWaalsContact CG-O 3.3Å; L104-I133 WeakPolarHBondContact CG-O 3.36Å; L115-I133 HydrophobicContact CD2-CG2 3.94Å; E118-I133 HydrophobicContact CB-CD1 3.75Å; E118-I133 HydrophobicContact CB-CG1 4.28Å; E118-I133 HydrophobicContact CB-CG2 4.12Å; I122-I133 HydrophobicContact CB-CD1 4.37Å; I122-I133 HydrophobicContact CD1-CD1 3.2Å; I122-I133 HydrophobicContact CD1-CG1 4.12Å; I122-I133 HydrophobicContact CG1-CD1 3.41Å; I122-I133 VanDerWaalsContact CG1-CD1 3.41Å; I122-I133 HydrophobicContact CG2-CD1 4.1Å; W130-I133 PolarHBondContact O-N 2.89Å; K131-I133 VanDerWaalsContact C-N 3.29Å; K131-I133 PolarHBondContact O-N 2.94Å
134	R	62	Low	60.4	Low	41 Å²	41	63.7 Å²	63.7	16%	0.155	33%	0.33	C	S	.	.	H	α-helix	trans	-127.5	-7.5	-173.7	-72.6	-114.4	-170.7	-166.3	5.5	115.9	L115 W130	L115-R134 HydrophobicContact CD2-CG 4.37Å; W130-R134 HydrophobicContact CE3-CG 4.36Å; W130-R134 HydrophobicContact CH2-CB 3.85Å; W130-R134 HydrophobicContact CH2-CG 3.55Å; W130-R134 HydrophobicContact CZ2-CB 4.12Å; W130-R134 HydrophobicContact CZ2-CG 4.32Å; W130-R134 HydrophobicContact CZ3-CB 4.23Å; W130-R134 HydrophobicContact CZ3-CG 3.6Å
135	G	62.5	Low	60.1	Low	21 Å²	21	60.1 Å²	60.1	22%	0.216	31%	0.31	C	S	.	.			trans	94.4	178.3	-176.7	0	0	0	0	0	112.6	K131	K131-G135 PolarHBondContact O-N 3.18Å
136	P	65.3	Low	59.9	Low	59 Å²	59	64.3 Å²	64.3	38%	0.383	32%	0.324	S	S	.	.			trans	-65.9	146.9	-178.8	28	-33.7	0	0	0	111.2	E140 D141	P136-E140 HydrophobicContact CB-CB 4.23Å; P136-D141 HydrophobicContact CG-CB 4.37Å
137	R	70.6	Confident	59.4	Low	34 Å²	34	57.9 Å²	57.9	13%	0.128	31%	0.306	C	S	.	.			trans	-63.2	155.8	172.7	-57.4	179.6	-167	-145.2	-7.1	109.7	S45 E61 W139 E140 D141	S45-R137 PolarHBondContact O-NH1 2.86Å; E61-R137 IonicContact OE2-CZ 2.66Å; E61-R137 IonicContact OE2-NH1 2.74Å; E61-R137 PolarHBondContact OE2-NH1 3.28Å; E61-R137 IonicContact OE2-NH2 2.72Å; E61-R137 PolarHBondContact OE2-NH2 2.83Å; R137-W139 HydrophobicContact CB-CD2 3.85Å; R137-W139 HydrophobicContact CB-CE3 4.19Å; R137-W139 HydrophobicContact CB-CG 4.48Å; R137-W139 HydrophobicContact CB-CH2 4.19Å; R137-W139 HydrophobicContact CB-CZ2 3.85Å; R137-W139 HydrophobicContact CB-CZ3 4.34Å; R137-W139 HydrophobicContact CG-CZ2 4.09Å; R137-W139 PolarHBondContact O-N 3.27Å; R137-E140 HydrophobicContact CB-CB 4.33Å; R137-E140 HydrophobicContact CB-CG 4.09Å; R137-E140 WeakPolarHBondContact CG-OE2 3.41Å; R137-E140 PolarHBondContact N-OE2 3.18Å; R137-E140 WeakPolarHBondContact O-CA 3.47Å; R137-E140 PolarHBondContact O-N 3.26Å; R137-D141 PolarHBondContact O-N 2.59Å
138	P	66.8	Low	59.3	Low	5 Å²	5	65.2 Å²	65.2	3%	0.032	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.2	-178.6	-29.2	35.1	0	0	0	115.6	V36 Y43 L144	V36-P138 HydrophobicContact CG2-CB 3.7Å; Y43-P138 HydrophobicContact CD1-CG 4.37Å; Y43-P138 HydrophobicContact CE1-CG 4.32Å; P138-L144 HydrophobicContact CB-CD1 4.29Å
139	W	70.4	Confident	58.7	Low	42 Å²	42	66.1 Å²	66.1	16%	0.159	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-0.8	177.7	57.6	89.1	0	0	0	114.1	Y35 R137 L145	Y35-W139 HydrophobicContact CD1-CB 4.29Å; Y35-W139 AromaticContact CD1-CD2 3.64Å; Y35-W139 HydrophobicContact CD1-CD2 3.64Å; Y35-W139 AromaticContact CD1-CE3 3.32Å; Y35-W139 HydrophobicContact CD1-CE3 3.32Å; Y35-W139 HydrophobicContact CD1-CG 4.07Å; Y35-W139 HydrophobicContact CD1-CH2 4.36Å; Y35-W139 AromaticContact CD1-CZ3 3.73Å; Y35-W139 HydrophobicContact CD1-CZ3 3.73Å; Y35-W139 HydrophobicContact CE1-CB 4.18Å; Y35-W139 AromaticContact CE1-CD2 3.07Å; Y35-W139 HydrophobicContact CE1-CD2 3.07Å; Y35-W139 AromaticContact CE1-CE2 3.33Å; Y35-W139 AromaticContact CE1-CE3 3.19Å; Y35-W139 HydrophobicContact CE1-CE3 3.19Å; Y35-W139 AromaticContact CE1-CG 3.54Å; Y35-W139 HydrophobicContact CE1-CG 3.54Å; Y35-W139 AromaticContact CE1-CH2 3.73Å; Y35-W139 HydrophobicContact CE1-CH2 3.73Å; Y35-W139 AromaticContact CE1-CZ2 3.62Å; Y35-W139 HydrophobicContact CE1-CZ2 3.62Å; Y35-W139 AromaticContact CE1-CZ3 3.53Å; Y35-W139 HydrophobicContact CE1-CZ3 3.53Å; Y35-W139 AromaticContact CE1-NE1 3.96Å; Y35-W139 AromaticContact CZ-CD2 3.95Å; Y35-W139 AromaticContact CZ-CE2 3.94Å; R137-W139 HydrophobicContact CB-CD2 3.85Å; R137-W139 HydrophobicContact CB-CE3 4.19Å; R137-W139 HydrophobicContact CB-CG 4.48Å; R137-W139 HydrophobicContact CB-CH2 4.19Å; R137-W139 HydrophobicContact CB-CZ2 3.85Å; R137-W139 HydrophobicContact CB-CZ3 4.34Å; R137-W139 HydrophobicContact CG-CZ2 4.09Å; R137-W139 PolarHBondContact O-N 3.27Å; W139-L145 WeakPolarHBondContact O-CD1 3.5Å
140	E	68.5	Low	58	Low	77 Å²	77	69.1 Å²	69.1	36%	0.36	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-7.2	169.5	-65.8	178.2	151.9	0	0	110.8	K131 P136 R137 P142	K131-E140 WeakPolarHBondContact CE-OE1 3.4Å; K131-E140 WeakPolarHBondContact CE-OE2 3.27Å; K131-E140 IonicContact NZ-OE1 2.65Å; K131-E140 PolarHBondContact NZ-OE1 2.77Å; P136-E140 HydrophobicContact CB-CB 4.23Å; R137-E140 HydrophobicContact CB-CB 4.33Å; R137-E140 HydrophobicContact CB-CG 4.09Å; R137-E140 WeakPolarHBondContact CG-OE2 3.41Å; R137-E140 PolarHBondContact N-OE2 3.18Å; R137-E140 WeakPolarHBondContact O-CA 3.47Å; R137-E140 PolarHBondContact O-N 3.26Å; E140-P142 WeakPolarHBondContact O-CD 3.05Å
141	D	67.8	Low	57.3	Low	6 Å²	6	75.5 Å²	75.5	3%	0.032	39%	0.391	C	S	.	.			trans	-91.5	112.4	179.7	-174	-13.2	0	0	0	111.7	Y7 P136 R137 D143 L144 L145	Y7-D141 WeakPolarHBondContact CE2-OD2 3.26Å; Y7-D141 PolarHBondContact OH-OD2 2.99Å; P136-D141 HydrophobicContact CG-CB 4.37Å; R137-D141 PolarHBondContact O-N 2.59Å; D141-D143 PolarHBondContact O-N 3.43Å; D141-D143 WeakPolarHBondContact OD1-CB 3.41Å; D141-D143 PolarHBondContact OD1-N 2.91Å; D141-L144 HydrophobicContact CB-CB 4.18Å; D141-L144 HydrophobicContact CB-CD1 3.74Å; D141-L144 HydrophobicContact CB-CG 4.04Å; D141-L144 PolarHBondContact O-N 3.17Å; D141-L144 WeakPolarHBondContact OD2-CD1 2.83Å; D141-L144 WeakPolarHBondContact OD2-CG 3.3Å; D141-L145 WeakPolarHBondContact O-CG 3.28Å; D141-L145 PolarHBondContact O-N 2.85Å
142	P	64.6	Low	56.5	Low	81 Å²	81	81.6 Å²	81.6	53%	0.526	44%	0.441	S	S	.	.	H	α-helix	trans	-63.4	-24.9	179.4	25.6	-32.7	0	0	0	113.8	E140 L144 Q146	E140-P142 WeakPolarHBondContact O-CD 3.05Å; P142-L144 VanDerWaalsContact C-N 3.32Å; P142-Q146 WeakPolarHBondContact O-CG 3.4Å; P142-Q146 PolarHBondContact O-N 2.94Å
143	D	63.9	Low	56.7	Low	85 Å²	85	78.9 Å²	78.9	46%	0.455	43%	0.427	S	S	.	.	H	α-helix	trans	-74.2	-25.5	178.5	-72.4	-18.2	0	0	0	112.1	D141	D141-D143 PolarHBondContact O-N 3.43Å; D141-D143 WeakPolarHBondContact OD1-CB 3.41Å; D141-D143 PolarHBondContact OD1-N 2.91Å
144	L	59.8	Low	56.7	Low	39 Å²	39	82.4 Å²	82.4	20%	0.204	45%	0.446	C	S	.	.	H	α-helix	trans	-89.1	-29.2	177.4	-65.6	173.1	0	0	0	112.9	Y7 R99 P138 D141 P142	Y7-L144 HydrophobicContact CE2-CD1 4.38Å; R99-L144 VanDerWaalsContact NH2-CD2 3.29Å; P138-L144 HydrophobicContact CB-CD1 4.29Å; D141-L144 HydrophobicContact CB-CB 4.18Å; D141-L144 HydrophobicContact CB-CD1 3.74Å; D141-L144 HydrophobicContact CB-CG 4.04Å; D141-L144 PolarHBondContact O-N 3.17Å; D141-L144 WeakPolarHBondContact OD2-CD1 2.83Å; D141-L144 WeakPolarHBondContact OD2-CG 3.3Å; P142-L144 VanDerWaalsContact C-N 3.32Å
145	L	56.7	Low	56.4	Low	73 Å²	73	84.7 Å²	84.7	38%	0.382	46%	0.462	S	S	.	.	H	α-helix	trans	-77.7	-27.4	177.2	-68.4	179.2	0	0	0	113	S37 W139 D141 G147	S37-L145 WeakPolarHBondContact CB-O 3.24Å; S37-L145 PolarHBondContact OG-O 3.23Å; W139-L145 WeakPolarHBondContact O-CD1 3.5Å; D141-L145 WeakPolarHBondContact O-CG 3.28Å; D141-L145 PolarHBondContact O-N 2.85Å; L145-G147 PolarHBondContact O-N 3.11Å
146	Q	55.3	Low	56	Low	146 Å²	146	88.5 Å²	88.5	68%	0.682	48%	0.477	S	S	*	.			trans	-74	75.6	169.3	-72.1	-175.3	34.6	0	0	109.8	P142 R148	P142-Q146 WeakPolarHBondContact O-CG 3.4Å; P142-Q146 PolarHBondContact O-N 2.94Å; Q146-R148 VanDerWaalsContact C-N 3.35Å; Q146-R148 PolarHBondContact O-N 3.08Å
147	G	47.2	Very low	55.5	Low	38 Å²	38	90.3 Å²	90.3	39%	0.392	48%	0.483	S	S	.	.			trans	-55.4	101.6	162.2	0	0	0	0	0	108.4	L145 N149	L145-G147 PolarHBondContact O-N 3.11Å; G147-N149 PolarHBondContact O-N 3.34Å; G147-N149 VanDerWaalsContact O-N 3.08Å
148	R	45.2	Very low	54.5	Low	228 Å²	228	94.1 Å²	94.1	86%	0.86	51%	0.506	S	S	*	.			trans	-61.9	116.9	166	-73.4	-164.6	-157.7	-177	6.7	106.7	Q146	Q146-R148 VanDerWaalsContact C-N 3.35Å; Q146-R148 PolarHBondContact O-N 3.08Å
149	N	38.1	Very low	53.6	Low	116 Å²	116	100.4 Å²	100.4	62%	0.62	54%	0.54	S	S	*	.			trans	-52.2	125.1	153.1	-162.8	20.5	0	0	0	106.6	G147 E151	G147-N149 PolarHBondContact O-N 3.34Å; G147-N149 VanDerWaalsContact O-N 3.08Å; N149-E151 PolarHBondContact O-N 3.08Å
150	P	38.7	Very low	52.3	Low	125 Å²	125	104.9 Å²	104.9	81%	0.812	57%	0.57	S	S	*	*	S	Bend	trans	-67.2	5.5	-177.2	24.2	-31.8	0	0	0	114.4
151	E	38.2	Very low	50.9	Low	159 Å²	159	107.3 Å²	107.3	74%	0.743	59%	0.587	S	S	*	*			trans	-132	96.6	178.5	-62.7	-169.6	122.9	0	0	111.3	N149	N149-E151 PolarHBondContact O-N 3.08Å
152	S	35.7	Very low	49.4	Very low	191 Å²	191	116.5 Å²	116.5	100%	1.336	64%	0.637	S	S	*	*			trans	-162.3	0	156.6	-67.3	0	0	0	0	110.1

Retrieved 152 of 152 residues in 34.5 ms (Link to these results)

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