A0A077ZF54_TRITR Loading...

Synaptojanin-2-binding protein

AlphaFold DB , UniProt , Accession A0A077ZF54, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 200 aa.

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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	36.6	Very low	45	Very low	245 Å²	245	162.5 Å²	162.5	100%	1.207	85%	0.851	S	S	*	*				0	142.9	0	-75.9	161	80.1	0	0	107.8
2	S	39.6	Very low	45.5	Very low	124 Å²	124	164.2 Å²	164.2	87%	0.867	85%	0.847	S	S	*	*			trans	93.2	98.5	-177.2	-149.3	0	0	0	0	116
3	A	44.7	Very low	46.2	Very low	75 Å²	75	164.5 Å²	164.5	62%	0.62	84%	0.842	S	S	*	*			trans	-68.6	156.5	162.7	0	0	0	0	0	110.9
4	N	40.3	Very low	46.4	Very low	157 Å²	157	160.9 Å²	160.9	84%	0.84	84%	0.837	S	S	*	*			trans	155.8	115.9	131.1	-79.8	-21.5	0	0	0	111.7
5	S	49.3	Very low	46.7	Very low	111 Å²	111	160.5 Å²	160.5	78%	0.776	84%	0.835	S	S	*	*			trans	-176.6	93.7	130.9	30.7	0	0	0	0	106.8
6	K	53.7	Low	47	Very low	201 Å²	201	161.3 Å²	161.3	87%	0.874	83%	0.833	S	S	*	*				63.3	90.1	108.4	-81.8	-177.3	173.3	-178.2	0	110.6	A8	K6-A8 PolarHBondContact O-N 2.8Å
7	W	48.8	Very low	47.4	Very low	252 Å²	252	156 Å²	156	96%	0.955	81%	0.81	S	S	*	*			trans	-54.9	95.8	152	-61.7	95.3	0	0	0	106.4	F9	W7-F9 PolarHBondContact O-N 3.36Å; W7-F9 VanDerWaalsContact O-N 3.15Å
8	A	46.3	Very low	47.8	Very low	90 Å²	90	156.1 Å²	156.1	74%	0.744	81%	0.812	S	S	*	*			trans	-56	121.2	172	0	0	0	0	0	106.2	K6 M10	K6-A8 PolarHBondContact O-N 2.8Å; A8-M10 PolarHBondContact O-N 3.42Å
9	F	39.9	Very low	48	Very low	193 Å²	193	152.1 Å²	152.1	85%	0.846	81%	0.813	S	S	*	*			trans	-43.4	109.8	167.3	-85.9	-115.5	0	0	0	107.9	W7 E11	W7-F9 PolarHBondContact O-N 3.36Å; W7-F9 VanDerWaalsContact O-N 3.15Å; F9-E11 PolarHBondContact O-N 2.92Å
10	M	47.6	Very low	48.4	Very low	172 Å²	172	147.9 Å²	147.9	85%	0.847	79%	0.791	S	S	*	*			trans	-68.6	85.9	152.6	-113.8	163.9	126.3	0	0	104.4	A8 F12	A8-M10 PolarHBondContact O-N 3.42Å; M10-F12 PolarHBondContact O-N 3.13Å
11	E	48	Very low	49.4	Very low	168 Å²	168	146.9 Å²	146.9	79%	0.785	79%	0.785	S	S	*	*			trans	-55.4	96.9	158.3	-119.8	162.3	175	0	0	105.3	F9 E13	F9-E11 PolarHBondContact O-N 2.92Å; E11-E13 PolarHBondContact O-N 3.06Å
12	F	51.7	Low	50.8	Low	182 Å²	182	142.1 Å²	142.1	80%	0.798	76%	0.755	S	S	*	*			trans	-64.5	95.9	153.4	-98.7	-92.5	0	0	0	104.1	M10 C14	M10-F12 PolarHBondContact O-N 3.13Å; F12-C14 VanDerWaalsContact C-N 3.34Å; F12-C14 PolarHBondContact O-N 3.48Å
13	E	53.5	Low	52.7	Low	168 Å²	168	139 Å²	139	79%	0.785	73%	0.732	S	S	*	*			trans	-49.2	111.7	156.7	-73.6	-176.2	157.6	0	0	105.1	E11 L15	E11-E13 PolarHBondContact O-N 3.06Å; E13-L15 PolarHBondContact O-N 3.35Å
14	C	50.1	Low	54.8	Low	115 Å²	115	140 Å²	140	78%	0.777	73%	0.731	S	S	*	*			trans	-57.2	104.7	159.7	-70.5	0	0	0	0	103.2	F12 E16	F12-C14 VanDerWaalsContact C-N 3.34Å; F12-C14 PolarHBondContact O-N 3.48Å; C14-E16 PolarHBondContact O-N 3.3Å
15	L	50.6	Low	57.4	Low	154 Å²	154	137.7 Å²	137.7	81%	0.806	72%	0.717	S	S	*	*			trans	-56.5	96.4	160.3	-95.8	137.5	0	0	0	104.1	E13 T17	E13-L15 PolarHBondContact O-N 3.35Å; L15-T17 PolarHBondContact O-N 2.85Å
16	E	51.6	Low	59.6	Low	173 Å²	173	135.6 Å²	135.6	81%	0.808	70%	0.697	S	S	*	*			trans	-58.3	95.1	158.7	-69.6	-178.7	168.9	0	0	103.3	C14 D18	C14-E16 PolarHBondContact O-N 3.3Å; E16-D18 PolarHBondContact O-N 3.27Å
17	T	53.7	Low	61.7	Low	72 Å²	72	128.5 Å²	128.5	44%	0.442	68%	0.676	S	S	.	*			trans	-69.7	118.6	172.2	56.4	0	0	0	0	105.8	L15 G19 D20	L15-T17 PolarHBondContact O-N 2.85Å; T17-G19 VanDerWaalsContact C-N 3.34Å; T17-G19 PolarHBondContact O-N 3.19Å; T17-D20 WeakPolarHBondContact CB-OD2 3.43Å; T17-D20 WeakPolarHBondContact CG2-OD2 3.38Å; T17-D20 VanDerWaalsContact OG1-CG 3.26Å; T17-D20 PolarHBondContact OG1-OD2 3.47Å
18	D	54	Low	64	Low	157 Å²	157	116.7 Å²	116.7	84%	0.84	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55	92.1	-173.9	-61	-52.3	0	0	0	110.3	E16 D20	E16-D18 PolarHBondContact O-N 3.27Å; D18-D20 PolarHBondContact O-N 2.95Å
19	G	52.1	Low	66.5	Low	81 Å²	81	115.8 Å²	115.8	84%	0.835	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	44.1	43.1	173.3	0	0	0	0	0	114.7	T17 D21	T17-G19 VanDerWaalsContact C-N 3.34Å; T17-G19 PolarHBondContact O-N 3.19Å; G19-D21 PolarHBondContact O-N 2.8Å; G19-D21 VanDerWaalsContact O-N 3.1Å
20	D	55.6	Low	69.2	Low	68 Å²	68	106.8 Å²	106.8	36%	0.364	58%	0.577	S	S	.	*			trans	-48.4	118.6	-173.1	-81.1	-21.8	0	0	0	111.3	T17 D18 Y22	T17-D20 WeakPolarHBondContact CB-OD2 3.43Å; T17-D20 WeakPolarHBondContact CG2-OD2 3.38Å; T17-D20 VanDerWaalsContact OG1-CG 3.26Å; T17-D20 PolarHBondContact OG1-OD2 3.47Å; D18-D20 PolarHBondContact O-N 2.95Å; D20-Y22 HydrophobicContact CB-CD2 3.45Å; D20-Y22 VanDerWaalsContact CB-CD2 3.45Å; D20-Y22 HydrophobicContact CB-CE2 3.21Å; D20-Y22 HydrophobicContact CB-CG 4.43Å; D20-Y22 WeakPolarHBondContact O-CD2 3.4Å; D20-Y22 PolarHBondContact O-N 3.26Å; D20-Y22 VanDerWaalsContact OD2-CE2 3.24Å; D20-Y22 WeakPolarHBondContact OD2-CE2 3.36Å; D20-Y22 PolarHBondContact OD2-OH 3.34Å; D20-Y22 VanDerWaalsContact OD2-OH 3.06Å
21	D	69.9	Low	71.5	Confident	126 Å²	126	102.8 Å²	102.8	67%	0.674	56%	0.563	S	S	*	*			trans	-63.2	66.9	169.7	-169.2	26.3	0	0	0	109.4	G19 K121	G19-D21 PolarHBondContact O-N 2.8Å; G19-D21 VanDerWaalsContact O-N 3.1Å; D21-K121 IonicContact OD2-NZ 2.8Å
22	Y	66.6	Low	73.5	Confident	145 Å²	145	97.1 Å²	97.1	57%	0.569	54%	0.536	S	S	*	.			trans	-69.4	135.7	174.2	-81.3	-77.1	0	0	0	108.5	D20 T24	D20-Y22 HydrophobicContact CB-CD2 3.45Å; D20-Y22 VanDerWaalsContact CB-CD2 3.45Å; D20-Y22 HydrophobicContact CB-CE2 3.21Å; D20-Y22 HydrophobicContact CB-CG 4.43Å; D20-Y22 WeakPolarHBondContact O-CD2 3.4Å; D20-Y22 PolarHBondContact O-N 3.26Å; D20-Y22 VanDerWaalsContact OD2-CE2 3.24Å; D20-Y22 WeakPolarHBondContact OD2-CE2 3.36Å; D20-Y22 PolarHBondContact OD2-OH 3.34Å; D20-Y22 VanDerWaalsContact OD2-OH 3.06Å; Y22-T24 PolarHBondContact O-N 2.88Å; Y22-T24 VanDerWaalsContact O-N 3.15Å
23	P	79.6	Confident	75.3	Confident	59 Å²	59	91.6 Å²	91.6	38%	0.383	52%	0.518	S	S	.	.			trans	-53.9	126.4	176.2	18.6	-29.4	0	0	0	109.9	I25 I112	P23-I25 PolarHBondContact O-N 2.93Å; P23-I25 VanDerWaalsContact O-N 3.15Å; P23-I112 HydrophobicContact CB-CG2 3.37Å
24	T	87.9	Confident	76.9	Confident	97 Å²	97	92 Å²	92	60%	0.595	52%	0.524	S	S	*	.			trans	-69.4	114.4	176.5	-62.2	0	0	0	0	108.6	Y22 R113	Y22-T24 PolarHBondContact O-N 2.88Å; Y22-T24 VanDerWaalsContact O-N 3.15Å; T24-R113 HydrophobicContact CG2-CB 4.5Å; T24-R113 HydrophobicContact CG2-CG 4.11Å; T24-R113 PolarHBondContact O-N 2.88Å
25	I	93.8	Very high	78.5	Confident	107 Å²	107	95.6 Å²	95.6	55%	0.549	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	136.9	176.1	-67.1	171.5	0	0	0	109.1	P23 F81 V111 I112	P23-I25 PolarHBondContact O-N 2.93Å; P23-I25 VanDerWaalsContact O-N 3.15Å; I25-F81 HydrophobicContact CG1-CE1 4.44Å; I25-F81 HydrophobicContact CG2-CE1 3.84Å; I25-F81 HydrophobicContact CG2-CZ 3.77Å; I25-V111 WeakPolarHBondContact CA-O 2.89Å; I25-I112 HydrophobicContact CG1-CG1 4.17Å
26	D	96.2	Very high	80.4	Confident	67 Å²	67	90 Å²	90	36%	0.358	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	156.5	177.3	-155.7	-3.7	0	0	0	112.3	F110 V111 R113	D26-F110 WeakPolarHBondContact O-CA 3.38Å; D26-V111 HydrophobicContact CB-CG2 4Å; D26-V111 PolarHBondContact N-O 3.44Å; D26-V111 PolarHBondContact O-N 2.99Å; D26-R113 HydrophobicContact CB-CG 4.31Å; D26-R113 IonicContact OD2-CZ 3.87Å; D26-R113 IonicContact OD2-NE 3.58Å; D26-R113 PolarHBondContact OD2-NE 3.46Å; D26-R113 IonicContact OD2-NH2 2.77Å; D26-R113 PolarHBondContact OD2-NH2 3.26Å
27	A	97.5	Very high	82.4	Confident	52 Å²	52	85.6 Å²	85.6	43%	0.43	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	109.9	178.2	0	0	0	0	0	110	T108 F109 F110	A27-T108 HydrophobicContact CB-CG2 4.2Å; A27-F109 CarbonylContact C-O 3.46Å; A27-F109 WeakPolarHBondContact CA-O 3.41Å; A27-F110 HydrophobicContact CB-CD1 4.06Å; A27-F110 HydrophobicContact CB-CE1 3.98Å
28	V	98	Very high	84.5	Confident	5 Å²	5	82.7 Å²	82.7	3%	0.03	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.8	-173.4	-177.9	0	0	0	0	109.2	L30 N73 L74 T108 F109 V111 R113	V28-L30 HydrophobicContact CG1-CD2 3.99Å; V28-L30 HydrophobicContact CG1-CG 4.3Å; V28-N73 HydrophobicContact CG1-CB 3.92Å; V28-N73 HydrophobicContact CG2-CB 4.09Å; V28-N73 VanDerWaalsContact CG2-O 3.23Å; V28-N73 WeakPolarHBondContact CG2-O 3.41Å; V28-L74 HydrophobicContact CB-CD2 4.14Å; V28-L74 HydrophobicContact CG1-CD2 4.24Å; V28-L74 HydrophobicContact CG1-CG 4.11Å; V28-L74 HydrophobicContact CG2-CD2 3.96Å; V28-T108 CarbonylContact O-C 3.56Å; V28-T108 WeakPolarHBondContact O-CA 3.47Å; V28-F109 PolarHBondContact N-O 2.87Å; V28-F109 WeakPolarHBondContact O-CD2 3.16Å; V28-F109 PolarHBondContact O-N 3.28Å; V28-V111 HydrophobicContact CG2-CG2 4.38Å; V28-R113 VanDerWaalsContact CG2-NH2 3.3Å
29	T	98.2	Very high	86.6	Confident	71 Å²	71	75.3 Å²	75.3	44%	0.436	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.6	179.7	-59	0	0	0	0	110.9	P106 T107 T108	T29-P106 HydrophobicContact CG2-CB 4.01Å; T29-T107 WeakPolarHBondContact CA-O 3.21Å; T29-T108 PolarHBondContact OG1-OG1 2.82Å
30	L	97.9	Very high	88.7	Confident	3 Å²	3	72.7 Å²	72.7	2%	0.016	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.6	175.2	-50.8	179.8	0	0	0	110.2	V28 F38 I67 A68 D71 L74 T107 F109	V28-L30 HydrophobicContact CG1-CD2 3.99Å; V28-L30 HydrophobicContact CG1-CG 4.3Å; L30-F38 HydrophobicContact CB-CD1 3.96Å; L30-F38 HydrophobicContact CB-CE1 4.33Å; L30-F38 HydrophobicContact CD1-CB 4.3Å; L30-F38 HydrophobicContact CD1-CD1 4.21Å; L30-I67 HydrophobicContact CB-CG2 4.14Å; L30-I67 HydrophobicContact CD1-CG2 4.49Å; L30-I67 HydrophobicContact CD2-CG2 4.36Å; L30-A68 HydrophobicContact CD1-CB 4.16Å; L30-D71 HydrophobicContact CD2-CB 3.47Å; L30-D71 VanDerWaalsContact CD2-CB 3.47Å; L30-D71 WeakPolarHBondContact CD2-OD2 3.44Å; L30-L74 HydrophobicContact CD1-CD1 3.81Å; L30-T107 PolarHBondContact N-O 3.29Å; L30-T107 PolarHBondContact O-N 3.22Å; L30-F109 HydrophobicContact CB-CE2 3.94Å; L30-F109 HydrophobicContact CD1-CD2 4.2Å; L30-F109 HydrophobicContact CD1-CE2 3.79Å; L30-F109 HydrophobicContact CG-CD2 4.1Å; L30-F109 HydrophobicContact CG-CE2 3.85Å
31	T	95.7	Very high	90.8	Very high	89 Å²	89	71.4 Å²	71.4	55%	0.546	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118	174.9	-58.9	0	0	0	0	110
32	K	90.3	Very high	92.1	Very high	48 Å²	48	66.5 Å²	66.5	21%	0.209	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-79.5	132.1	178.4	-166.4	-175.9	172.1	-164.4	0	110.8	G36 F38 R101 S103 G105	K32-G36 WeakPolarHBondContact CE-O 3.32Å; K32-F38 HydrophobicContact CB-CD1 4.37Å; K32-F38 HydrophobicContact CB-CE1 3.74Å; K32-F38 HydrophobicContact CB-CZ 4.07Å; K32-F38 HydrophobicContact CD-CE1 4.48Å; K32-F38 HydrophobicContact CD-CE2 4.35Å; K32-F38 HydrophobicContact CD-CZ 4.08Å; K32-F38 HydrophobicContact CG-CE1 4.31Å; K32-F38 HydrophobicContact CG-CZ 4.41Å; K32-R101 PolarHBondContact NZ-O 2.84Å; K32-S103 WeakPolarHBondContact CD-O 3.46Å; K32-G105 PolarHBondContact N-O 2.88Å
33	P	88.6	Confident	93.6	Very high	66 Å²	66	61.5 Å²	61.5	43%	0.429	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-71	161.1	171.5	31.9	-37.2	0	0	0	110.5	E35 I67	P33-E35 VanDerWaalsContact C-N 3.26Å; P33-E35 PolarHBondContact O-N 2.98Å; P33-I67 HydrophobicContact CG-CD1 4.12Å
34	I	86.2	Confident	94.5	Very high	176 Å²	176	58.9 Å²	58.9	90%	0.903	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-45.5	-178.8	-59.7	170.4	0	0	0	110.9
35	E	84.8	Confident	95	Very high	192 Å²	192	54.3 Å²	54.3	90%	0.897	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	74	178.2	-64.2	-172	171.4	0	0	110.7	P33	P33-E35 VanDerWaalsContact C-N 3.26Å; P33-E35 PolarHBondContact O-N 2.98Å
36	G	90.2	Very high	95.2	Very high	37 Å²	37	51.3 Å²	51.3	38%	0.381	30%	0.304	S	S	.	.			trans	-169.8	-167.3	173.8	0	0	0	0	0	115.5	K32	K32-G36 WeakPolarHBondContact CE-O 3.32Å
37	S	94.8	Very high	95.3	Very high	79 Å²	79	51.9 Å²	51.9	55%	0.552	31%	0.307	S	S	*	.			trans	-130.5	165.8	-178.8	70.8	0	0	0	0	110.2	G39 I67	S37-G39 PolarHBondContact O-N 2.77Å; S37-G39 PolarHBondContact OG-N 3.31Å; S37-I67 WeakPolarHBondContact O-CD1 3.44Å
38	F	97	Very high	95.2	Very high	11 Å²	11	56 Å²	56	5%	0.048	32%	0.315	C	S	.	.			trans	-67.1	-13.3	173.5	-59.4	-68.5	0	0	0	113.2	L30 K32 F40 I67 A68 L100 T107 F109	L30-F38 HydrophobicContact CB-CD1 3.96Å; L30-F38 HydrophobicContact CB-CE1 4.33Å; L30-F38 HydrophobicContact CD1-CB 4.3Å; L30-F38 HydrophobicContact CD1-CD1 4.21Å; K32-F38 HydrophobicContact CB-CD1 4.37Å; K32-F38 HydrophobicContact CB-CE1 3.74Å; K32-F38 HydrophobicContact CB-CZ 4.07Å; K32-F38 HydrophobicContact CD-CE1 4.48Å; K32-F38 HydrophobicContact CD-CE2 4.35Å; K32-F38 HydrophobicContact CD-CZ 4.08Å; K32-F38 HydrophobicContact CG-CE1 4.31Å; K32-F38 HydrophobicContact CG-CZ 4.41Å; F38-F40 HydrophobicContact CB-CD1 3.64Å; F38-F40 HydrophobicContact CB-CE1 3.26Å; F38-F40 HydrophobicContact CB-CZ 4.11Å; F38-F40 HydrophobicContact CD2-CE1 4.3Å; F38-F40 HydrophobicContact CD2-CZ 4.39Å; F38-F40 AromaticContact CG-CE1 3.99Å; F38-F40 HydrophobicContact CG-CE1 3.99Å; F38-I67 WeakPolarHBondContact O-CB 3.33Å; F38-I67 PolarHBondContact O-N 2.9Å; F38-A68 WeakPolarHBondContact O-CB 3.39Å; F38-A68 PolarHBondContact O-N 3.43Å; F38-L100 WeakPolarHBondContact CE2-O 3.5Å; F38-T107 HydrophobicContact CE1-CG2 4.25Å; F38-T107 HydrophobicContact CZ-CG2 3.78Å; F38-F109 AromaticContact CD1-CE2 3.99Å; F38-F109 HydrophobicContact CD1-CE2 3.99Å; F38-F109 AromaticContact CD1-CZ 3.76Å; F38-F109 HydrophobicContact CD1-CZ 3.76Å; F38-F109 HydrophobicContact CD2-CE1 4.42Å; F38-F109 AromaticContact CD2-CZ 3.73Å; F38-F109 HydrophobicContact CD2-CZ 3.73Å; F38-F109 HydrophobicContact CE1-CE2 4.01Å; F38-F109 AromaticContact CE1-CZ 3.76Å; F38-F109 HydrophobicContact CE1-CZ 3.76Å; F38-F109 HydrophobicContact CE2-CE1 4.44Å; F38-F109 AromaticContact CE2-CZ 3.73Å; F38-F109 HydrophobicContact CE2-CZ 3.73Å; F38-F109 HydrophobicContact CG-CE2 4.36Å; F38-F109 AromaticContact CG-CZ 3.75Å; F38-F109 HydrophobicContact CG-CZ 3.75Å; F38-F109 HydrophobicContact CZ-CE2 4.4Å; F38-F109 AromaticContact CZ-CZ 3.76Å; F38-F109 HydrophobicContact CZ-CZ 3.76Å
39	G	96.8	Very high	95	Very high	3 Å²	3	59.3 Å²	59.3	3%	0.031	34%	0.337	C	S	.	.	S	Bend	trans	78.4	33.1	176.3	0	0	0	0	0	114.8	S37 H63	S37-G39 PolarHBondContact O-N 2.77Å; S37-G39 PolarHBondContact OG-N 3.31Å; G39-H63 PolarHBondContact O-N 3.05Å
40	F	98.2	Very high	94.9	Very high	25 Å²	25	60.6 Å²	60.6	11%	0.11	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	159	168	61.9	-97.5	0	0	0	111.2	F38 I42 I59 K61 I62 A68 L74 I80 L100 F109	F38-F40 HydrophobicContact CB-CD1 3.64Å; F38-F40 HydrophobicContact CB-CE1 3.26Å; F38-F40 HydrophobicContact CB-CZ 4.11Å; F38-F40 HydrophobicContact CD2-CE1 4.3Å; F38-F40 HydrophobicContact CD2-CZ 4.39Å; F38-F40 AromaticContact CG-CE1 3.99Å; F38-F40 HydrophobicContact CG-CE1 3.99Å; F40-I42 HydrophobicContact CD2-CG2 3.83Å; F40-I42 HydrophobicContact CE2-CG2 3.65Å; F40-I59 HydrophobicContact CB-CG2 4.1Å; F40-I59 HydrophobicContact CD2-CG1 4.28Å; F40-K61 CarbonylContact C-O 3.52Å; F40-K61 WeakPolarHBondContact CA-O 3.38Å; F40-K61 WeakPolarHBondContact CB-O 3.3Å; F40-I62 HydrophobicContact CB-CG1 4.31Å; F40-A68 HydrophobicContact CB-CB 4.41Å; F40-A68 HydrophobicContact CD1-CB 3.84Å; F40-L74 HydrophobicContact CD1-CD1 4.11Å; F40-L74 HydrophobicContact CE1-CD1 4.05Å; F40-I80 HydrophobicContact CE2-CD1 3.7Å; F40-I80 HydrophobicContact CZ-CD1 3.97Å; F40-L100 HydrophobicContact CE2-CD1 4.28Å; F40-L100 HydrophobicContact CZ-CD2 4.34Å; F40-F109 HydrophobicContact CE1-CE1 4.12Å; F40-F109 HydrophobicContact CE1-CZ 4.1Å; F40-F109 HydrophobicContact CZ-CD1 4.27Å; F40-F109 AromaticContact CZ-CE1 3.68Å; F40-F109 HydrophobicContact CZ-CE1 3.68Å; F40-F109 HydrophobicContact CZ-CZ 4.09Å
41	S	98.3	Very high	94.7	Very high	41 Å²	41	60.9 Å²	60.9	29%	0.287	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	149.7	172.5	-68.2	0	0	0	0	110.2	I59 S60 K61 H63	S41-I59 WeakPolarHBondContact O-CA 3.45Å; S41-S60 WeakPolarHBondContact CB-OG 2.93Å; S41-S60 PolarHBondContact O-N 2.97Å; S41-S60 PolarHBondContact O-OG 2.9Å; S41-K61 PolarHBondContact N-O 3.48Å; S41-H63 PolarHBondContact OG-NE2 2.69Å
42	I	98.3	Very high	94.4	Very high	24 Å²	24	59.5 Å²	59.5	12%	0.123	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	154.4	176.9	61.7	159.5	0	0	0	112.3	F40 I57 Y58 I80 H93 A96 V97 L100	F40-I42 HydrophobicContact CD2-CG2 3.83Å; F40-I42 HydrophobicContact CE2-CG2 3.65Å; I42-I57 HydrophobicContact CB-CG2 3.94Å; I42-I57 HydrophobicContact CD1-CG2 3.74Å; I42-I57 HydrophobicContact CG1-CG2 4.46Å; I42-I57 HydrophobicContact CG2-CG2 4.02Å; I42-Y58 CarbonylContact C-O 3.56Å; I42-Y58 WeakPolarHBondContact CA-O 3.37Å; I42-I80 HydrophobicContact CG2-CD1 4.31Å; I42-H93 PolarHBondContact O-CE1 2.86Å; I42-A96 HydrophobicContact CD1-CB 4.07Å; I42-V97 HydrophobicContact CD1-CG2 3.89Å; I42-V97 HydrophobicContact CG1-CG2 4.36Å; I42-L100 HydrophobicContact CD1-CD1 3.76Å; I42-L100 HydrophobicContact CG1-CD1 4.38Å; I42-L100 HydrophobicContact CG2-CD1 4.03Å
43	V	98.3	Very high	94.4	Very high	39 Å²	39	65.5 Å²	65.5	24%	0.236	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	169.4	167.6	-68.2	0	0	0	0	109.6	Y50 Y58	V43-Y50 HydrophobicContact CB-CD2 4.13Å; V43-Y50 HydrophobicContact CB-CG 4.18Å; V43-Y50 HydrophobicContact CG2-CD1 3.68Å; V43-Y50 HydrophobicContact CG2-CD2 3.7Å; V43-Y50 HydrophobicContact CG2-CE1 4.02Å; V43-Y50 HydrophobicContact CG2-CE2 4.04Å; V43-Y50 HydrophobicContact CG2-CG 3.51Å; V43-Y58 PolarHBondContact N-O 3.36Å; V43-Y58 PolarHBondContact O-N 2.67Å
44	G	97.9	Very high	94.6	Very high	5 Å²	5	63.7 Å²	63.7	5%	0.052	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	91.8	-168.2	-180	0	0	0	0	0	113.6	K48 G56 H93	G44-K48 CarbonylContact C-O 3.52Å; G44-K48 VanDerWaalsContact C-O 3.29Å; G44-K48 WeakPolarHBondContact CA-O 3.37Å; G44-G56 CarbonylContact C-O 3.5Å; G44-G56 VanDerWaalsContact CA-O 3.31Å; G44-G56 WeakPolarHBondContact CA-O 2.95Å; G44-H93 VanDerWaalsContact O-CB 3.3Å; G44-H93 WeakPolarHBondContact O-CB 3.37Å; G44-H93 PolarHBondContact O-ND1 3.39Å
45	G	98.2	Very high	95	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.306	C	S	.	.			trans	119	160.1	-170.1	0	0	0	0	0	111.6	D47 K48 P49 P55 G56 I91	G45-D47 VanDerWaalsContact C-N 3.27Å; G45-D47 PolarHBondContact O-N 2.68Å; G45-K48 CarbonylContact O-C 3.14Å; G45-K48 PolarHBondContact O-N 3.27Å; G45-P49 WeakPolarHBondContact O-CA 3.25Å; G45-P49 VanDerWaalsContact O-N 3.1Å; G45-P55 CarbonylContact C-O 3.52Å; G45-G56 PolarHBondContact N-O 2.7Å; G45-I91 WeakPolarHBondContact CA-O 3.46Å
46	S	97.8	Very high	95.6	Very high	44 Å²	44	48.2 Å²	48.2	31%	0.308	27%	0.265	S	S	.	.	S	Bend	trans	-66.3	-27.3	-177.5	59.6	0	0	0	0	113.7	I91 T92	S46-I91 PolarHBondContact N-O 3.47Å; S46-I91 PolarHBondContact OG-O 3.32Å; S46-T92 PolarHBondContact OG-N 2.97Å
47	D	97.8	Very high	96	Very high	79 Å²	79	46.5 Å²	46.5	42%	0.422	25%	0.247	S	C	.	.	S	Bend	trans	-84.9	-21.4	175.2	64.3	-43.4	0	0	0	113.2	G45 T92 H93	G45-D47 VanDerWaalsContact C-N 3.27Å; G45-D47 PolarHBondContact O-N 2.68Å; D47-T92 HydrophobicContact CB-CG2 4.17Å; D47-T92 VanDerWaalsContact OD1-CA 3.25Å; D47-T92 WeakPolarHBondContact OD1-CA 3.35Å; D47-T92 WeakPolarHBondContact OD1-CB 3.17Å; D47-H93 PolarHBondContact OD1-N 3.48Å
48	K	95	Very high	96.1	Very high	138 Å²	138	42.9 Å²	42.9	60%	0.6	22%	0.221	S	C	*	.	S	Bend	trans	-140.3	67.6	-178.4	-60.7	-174.2	-174.9	-161.7	0	111.4	G44 G45 Y50	G44-K48 CarbonylContact C-O 3.52Å; G44-K48 VanDerWaalsContact C-O 3.29Å; G44-K48 WeakPolarHBondContact CA-O 3.37Å; G45-K48 CarbonylContact O-C 3.14Å; G45-K48 PolarHBondContact O-N 3.27Å; K48-Y50 PolarHBondContact O-N 2.9Å
49	P	94.6	Very high	96.2	Very high	76 Å²	76	42.3 Å²	42.3	49%	0.494	22%	0.219	S	C	.	.			trans	-57.3	125.5	-178.8	-24.5	34.9	0	0	0	111	G45	G45-P49 WeakPolarHBondContact O-CA 3.25Å; G45-P49 VanDerWaalsContact O-N 3.1Å
50	Y	95.5	Very high	96.3	Very high	97 Å²	97	44.3 Å²	44.3	38%	0.38	23%	0.232	S	C	.	.	S	Bend	trans	-79.8	-38.9	177.5	175	-119.9	0	0	0	111.3	V43 K48 Y58 E116	V43-Y50 HydrophobicContact CB-CD2 4.13Å; V43-Y50 HydrophobicContact CB-CG 4.18Å; V43-Y50 HydrophobicContact CG2-CD1 3.68Å; V43-Y50 HydrophobicContact CG2-CD2 3.7Å; V43-Y50 HydrophobicContact CG2-CE1 4.02Å; V43-Y50 HydrophobicContact CG2-CE2 4.04Å; V43-Y50 HydrophobicContact CG2-CG 3.51Å; K48-Y50 PolarHBondContact O-N 2.9Å; Y50-Y58 HydrophobicContact CD1-CD2 4.12Å; Y50-Y58 HydrophobicContact CD1-CG 4.11Å; Y50-E116 VanDerWaalsContact CE1-CD 3.49Å; Y50-E116 HydrophobicContact CE1-CG 4.16Å; Y50-E116 WeakPolarHBondContact CE1-OE1 3.41Å; Y50-E116 PolarHBondContact OH-OE1 2.93Å
51	L	94.2	Very high	96.3	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.047	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-111.8	143.5	175.8	-59.8	176	0	0	0	110.1	R53 D54 Y58 Y119	L51-R53 PolarHBondContact O-N 2.83Å; L51-D54 HydrophobicContact CB-CB 4.13Å; L51-D54 PolarHBondContact O-N 2.77Å; L51-D54 VanDerWaalsContact O-N 3.12Å; L51-Y58 HydrophobicContact CD1-CD1 4.43Å; L51-Y58 HydrophobicContact CD1-CE1 3.66Å; L51-Y58 HydrophobicContact CD1-CE2 4.15Å; L51-Y119 HydrophobicContact CB-CD1 4.18Å; L51-Y119 HydrophobicContact CB-CD2 4.28Å; L51-Y119 HydrophobicContact CB-CE1 3.94Å; L51-Y119 HydrophobicContact CB-CE2 4Å; L51-Y119 HydrophobicContact CB-CG 4.35Å; L51-Y119 HydrophobicContact CD1-CD1 3.92Å; L51-Y119 HydrophobicContact CD1-CD2 3.99Å; L51-Y119 HydrophobicContact CD1-CG 3.63Å; L51-Y119 HydrophobicContact CD2-CD1 3.86Å; L51-Y119 HydrophobicContact CD2-CE1 4.1Å; L51-Y119 HydrophobicContact CD2-CG 4.44Å; L51-Y119 HydrophobicContact CG-CD1 4.2Å; L51-Y119 HydrophobicContact CG-CE1 4.4Å; L51-Y119 HydrophobicContact CG-CG 4.36Å
52	P	90.7	Very high	96.3	Very high	60 Å²	60	47.3 Å²	47.3	39%	0.39	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	130.5	177.4	-17.9	18.9	0	0	0	112.8	D54 Y119 L128	P52-D54 PolarHBondContact O-N 3.36Å; P52-D54 VanDerWaalsContact O-N 3.13Å; P52-Y119 VanDerWaalsContact C-OH 3.26Å; P52-Y119 VanDerWaalsContact CA-OH 3.26Å; P52-Y119 WeakPolarHBondContact CA-OH 3.27Å; P52-Y119 WeakPolarHBondContact CB-OH 3.36Å; P52-Y119 WeakPolarHBondContact CD-OH 3.31Å; P52-Y119 HydrophobicContact CG-CE1 4.4Å; P52-Y119 WeakPolarHBondContact CG-OH 3.21Å; P52-Y119 PolarHBondContact O-OH 3.45Å; P52-L128 HydrophobicContact CB-CD2 4.11Å
53	R	88.4	Confident	96.3	Very high	174 Å²	174	49.8 Å²	49.8	66%	0.657	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	16	179.5	-52.5	-174.5	-76.7	-95.3	17.7	115	L51 L128	L51-R53 PolarHBondContact O-N 2.83Å; R53-L128 VanDerWaalsContact NH2-CA 3.3Å; R53-L128 VanDerWaalsContact NH2-CD2 3.35Å; R53-L128 PolarHBondContact NH2-O 2.57Å
54	D	93.3	Very high	96.2	Very high	29 Å²	29	54.1 Å²	54.1	16%	0.155	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-121.7	108.7	173.5	-161.4	-32.6	0	0	0	111.2	L51 P52 G56 Y58 K79	L51-D54 HydrophobicContact CB-CB 4.13Å; L51-D54 PolarHBondContact O-N 2.77Å; L51-D54 VanDerWaalsContact O-N 3.12Å; P52-D54 PolarHBondContact O-N 3.36Å; P52-D54 VanDerWaalsContact O-N 3.13Å; D54-G56 PolarHBondContact O-N 2.92Å; D54-G56 WeakPolarHBondContact OD1-CA 3.23Å; D54-G56 PolarHBondContact OD1-N 2.79Å; D54-Y58 PolarHBondContact OD2-OH 3.26Å; D54-K79 IonicContact OD1-NZ 3.39Å; D54-K79 PolarHBondContact OD1-NZ 2.86Å; D54-K79 IonicContact OD2-NZ 2.69Å; D54-K79 PolarHBondContact OD2-NZ 2.83Å
55	P	95.2	Very high	96	Very high	40 Å²	40	60.3 Å²	60.3	26%	0.26	30%	0.301	S	S	.	.			trans	-81.7	19.8	176.9	36.3	-36.5	0	0	0	112.9	G45 N90	G45-P55 CarbonylContact C-O 3.52Å; P55-N90 WeakPolarHBondContact CB-OD1 3.3Å; P55-N90 HydrophobicContact CG-CB 4.26Å; P55-N90 VanDerWaalsContact CG-OD1 3.31Å; P55-N90 WeakPolarHBondContact CG-OD1 3.36Å
56	G	96.9	Very high	95.9	Very high	3 Å²	3	60.8 Å²	60.8	3%	0.031	31%	0.306	C	S	.	.			trans	-74.5	169.5	-174.9	0	0	0	0	0	115.7	G44 G45 D54	G44-G56 CarbonylContact C-O 3.5Å; G44-G56 VanDerWaalsContact CA-O 3.31Å; G44-G56 WeakPolarHBondContact CA-O 2.95Å; G45-G56 PolarHBondContact N-O 2.7Å; D54-G56 PolarHBondContact O-N 2.92Å; D54-G56 WeakPolarHBondContact OD1-CA 3.23Å; D54-G56 PolarHBondContact OD1-N 2.79Å
57	I	98.4	Very high	95.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.1	176.1	-54.9	-59.9	0	0	0	108.9	I42 K79 I80 L88 A96	I42-I57 HydrophobicContact CB-CG2 3.94Å; I42-I57 HydrophobicContact CD1-CG2 3.74Å; I42-I57 HydrophobicContact CG1-CG2 4.46Å; I42-I57 HydrophobicContact CG2-CG2 4.02Å; I57-K79 CarbonylContact O-C 3.47Å; I57-K79 WeakPolarHBondContact O-CA 3.42Å; I57-I80 PolarHBondContact O-N 2.74Å; I57-L88 HydrophobicContact CG1-CB 4.25Å; I57-A96 HydrophobicContact CD1-CB 3.49Å; I57-A96 VanDerWaalsContact CD1-CB 3.49Å; I57-A96 HydrophobicContact CG1-CB 3.76Å; I57-A96 HydrophobicContact CG2-CB 4.47Å
58	Y	98.3	Very high	95.8	Very high	3 Å²	3	56.8 Å²	56.8	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147.1	-175.1	-66.8	-99.1	0	0	0	111.1	I42 V43 Y50 L51 D54 S60 D78 K79 A115 E116	I42-Y58 CarbonylContact C-O 3.56Å; I42-Y58 WeakPolarHBondContact CA-O 3.37Å; V43-Y58 PolarHBondContact N-O 3.36Å; V43-Y58 PolarHBondContact O-N 2.67Å; Y50-Y58 HydrophobicContact CD1-CD2 4.12Å; Y50-Y58 HydrophobicContact CD1-CG 4.11Å; L51-Y58 HydrophobicContact CD1-CD1 4.43Å; L51-Y58 HydrophobicContact CD1-CE1 3.66Å; L51-Y58 HydrophobicContact CD1-CE2 4.15Å; D54-Y58 PolarHBondContact OD2-OH 3.26Å; Y58-S60 PolarHBondContact O-N 3.41Å; Y58-D78 WeakPolarHBondContact CA-O 3.47Å; Y58-K79 HydrophobicContact CD1-CB 3.96Å; Y58-K79 HydrophobicContact CD1-CG 4.43Å; Y58-K79 HydrophobicContact CE1-CB 3.71Å; Y58-K79 HydrophobicContact CE1-CD 4.22Å; Y58-K79 HydrophobicContact CE1-CG 4.03Å; Y58-K79 HydrophobicContact CE2-CD 4.47Å; Y58-K79 HydrophobicContact CE2-CG 4.33Å; Y58-A115 HydrophobicContact CE1-CB 3.98Å; Y58-E116 HydrophobicContact CD1-CB 4.19Å; Y58-E116 HydrophobicContact CE1-CB 4.42Å
59	I	98.4	Very high	96	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	112.1	170.7	-60.1	-177.9	0	0	0	108.5	F40 S41 I62 L74 G77 D78 I80	F40-I59 HydrophobicContact CB-CG2 4.1Å; F40-I59 HydrophobicContact CD2-CG1 4.28Å; S41-I59 WeakPolarHBondContact O-CA 3.45Å; I59-I62 HydrophobicContact CG2-CD1 4.47Å; I59-I62 HydrophobicContact CG2-CG1 3.89Å; I59-L74 HydrophobicContact CD1-CB 4.06Å; I59-L74 HydrophobicContact CD1-CD1 4.07Å; I59-L74 HydrophobicContact CD1-CD2 4.03Å; I59-L74 HydrophobicContact CD1-CG 4.28Å; I59-G77 PolarHBondContact O-N 2.86Å; I59-D78 HydrophobicContact CD1-CB 4.18Å; I59-D78 PolarHBondContact N-O 2.58Å; I59-I80 HydrophobicContact CD1-CD1 4.15Å; I59-I80 HydrophobicContact CD1-CG1 4.26Å; I59-I80 HydrophobicContact CG1-CD1 3.83Å; I59-I80 HydrophobicContact CG1-CG1 4.02Å
60	S	98.1	Very high	96.1	Very high	44 Å²	44	59.2 Å²	59.2	31%	0.308	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-25.3	179.4	57.1	0	0	0	0	113.8	S41 Y58	S41-S60 WeakPolarHBondContact CB-OG 2.93Å; S41-S60 PolarHBondContact O-N 2.97Å; S41-S60 PolarHBondContact O-OG 2.9Å; Y58-S60 PolarHBondContact O-N 3.41Å
61	K	98.5	Very high	96.2	Very high	114 Å²	114	57.4 Å²	57.4	50%	0.496	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	139.4	-179.1	-171.9	169.2	-176.1	168.2	0	111.5	F40 S41 E76	F40-K61 CarbonylContact C-O 3.52Å; F40-K61 WeakPolarHBondContact CA-O 3.38Å; F40-K61 WeakPolarHBondContact CB-O 3.3Å; S41-K61 PolarHBondContact N-O 3.48Å; K61-E76 VanDerWaalsContact CA-OE1 3.32Å; K61-E76 WeakPolarHBondContact CA-OE1 3.38Å
62	I	98.4	Very high	96.3	Very high	16 Å²	16	59.5 Å²	59.5	8%	0.082	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.6	166.5	-63.4	-177.7	0	0	0	108.9	F40 I59 A68 K69 L74 E76	F40-I62 HydrophobicContact CB-CG1 4.31Å; I59-I62 HydrophobicContact CG2-CD1 4.47Å; I59-I62 HydrophobicContact CG2-CG1 3.89Å; I62-A68 HydrophobicContact CG2-CB 4.32Å; I62-K69 HydrophobicContact CG2-CB 3.67Å; I62-K69 HydrophobicContact CG2-CD 3.91Å; I62-K69 HydrophobicContact CG2-CG 4.38Å; I62-L74 HydrophobicContact CD1-CB 4.06Å; I62-L74 WeakPolarHBondContact CD1-O 3.41Å; I62-E76 HydrophobicContact CG1-CG 4.13Å; I62-E76 PolarHBondContact N-OE1 2.71Å
63	H	98.1	Very high	96.6	Very high	75 Å²	75	60.7 Å²	60.7	35%	0.347	31%	0.307	S	S	.	.			trans	-78.7	133.3	-175.8	-67	-84.4	0	0	0	111.2	G39 S41 N65 G66 K69	G39-H63 PolarHBondContact O-N 3.05Å; S41-H63 PolarHBondContact OG-NE2 2.69Å; H63-N65 PolarHBondContact O-N 3Å; H63-G66 WeakPolarHBondContact O-CA 3.2Å; H63-G66 PolarHBondContact O-N 3.43Å; H63-K69 WeakPolarHBondContact O-CB 3.47Å
64	E	96	Very high	97.1	Very high	130 Å²	130	52.9 Å²	52.9	61%	0.607	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	132.1	168.5	-63.9	-56.8	153.7	0	0	109.6	G66 K69	E64-G66 VanDerWaalsContact C-N 3.27Å; E64-G66 PolarHBondContact O-N 3.4Å; E64-K69 IonicContact OE1-NZ 2.67Å; E64-K69 PolarHBondContact OE1-NZ 3.14Å; E64-K69 WeakPolarHBondContact OE2-CE 3.35Å; E64-K69 IonicContact OE2-NZ 3.27Å
65	N	94.4	Very high	97.3	Very high	136 Å²	136	53.6 Å²	53.6	73%	0.727	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	1.9	-171.3	-47.7	-56.1	0	0	0	116.9	H63 K70	H63-N65 PolarHBondContact O-N 3Å; N65-K70 WeakPolarHBondContact O-CE 3.39Å
66	G	95.8	Very high	97.4	Very high	10 Å²	10	56.7 Å²	56.7	10%	0.103	30%	0.299	C	S	.	.			trans	-70.5	161.2	174.6	0	0	0	0	0	113.9	H63 E64 K69 K70	H63-G66 WeakPolarHBondContact O-CA 3.2Å; H63-G66 PolarHBondContact O-N 3.43Å; E64-G66 VanDerWaalsContact C-N 3.27Å; E64-G66 PolarHBondContact O-N 3.4Å; G66-K69 PolarHBondContact O-N 2.97Å; G66-K70 WeakPolarHBondContact O-CG 3.48Å; G66-K70 PolarHBondContact O-N 3.23Å
67	I	96.6	Very high	97.5	Very high	39 Å²	39	56.6 Å²	56.6	20%	0.2	30%	0.298	C	S	.	.	H	α-helix	trans	-64.8	-44.4	179.1	-58.3	172	0	0	0	110.5	L30 P33 S37 F38 K69 K70 D71	L30-I67 HydrophobicContact CB-CG2 4.14Å; L30-I67 HydrophobicContact CD1-CG2 4.49Å; L30-I67 HydrophobicContact CD2-CG2 4.36Å; P33-I67 HydrophobicContact CG-CD1 4.12Å; S37-I67 WeakPolarHBondContact O-CD1 3.44Å; F38-I67 WeakPolarHBondContact O-CB 3.33Å; F38-I67 PolarHBondContact O-N 2.9Å; I67-K69 VanDerWaalsContact C-N 3.28Å; I67-K69 PolarHBondContact O-N 3.14Å; I67-K70 PolarHBondContact O-N 2.99Å; I67-K70 VanDerWaalsContact O-N 3.13Å; I67-D71 WeakPolarHBondContact O-CB 3.32Å; I67-D71 PolarHBondContact O-N 3.19Å
68	A	97.8	Very high	97.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.4	-39.4	175.8	0	0	0	0	0	112.5	L30 F38 F40 I62 G72 L74	L30-A68 HydrophobicContact CD1-CB 4.16Å; F38-A68 WeakPolarHBondContact O-CB 3.39Å; F38-A68 PolarHBondContact O-N 3.43Å; F40-A68 HydrophobicContact CB-CB 4.41Å; F40-A68 HydrophobicContact CD1-CB 3.84Å; I62-A68 HydrophobicContact CG2-CB 4.32Å; A68-G72 PolarHBondContact O-N 2.82Å; A68-L74 HydrophobicContact CB-CB 4.39Å; A68-L74 HydrophobicContact CB-CD1 3.94Å
69	K	97.7	Very high	97.4	Very high	101 Å²	101	58.3 Å²	58.3	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-65.2	-42.8	174.9	-171.3	72.7	-179.8	-148.3	0	112	I62 H63 E64 G66 I67 G72	I62-K69 HydrophobicContact CG2-CB 3.67Å; I62-K69 HydrophobicContact CG2-CD 3.91Å; I62-K69 HydrophobicContact CG2-CG 4.38Å; H63-K69 WeakPolarHBondContact O-CB 3.47Å; E64-K69 IonicContact OE1-NZ 2.67Å; E64-K69 PolarHBondContact OE1-NZ 3.14Å; E64-K69 WeakPolarHBondContact OE2-CE 3.35Å; E64-K69 IonicContact OE2-NZ 3.27Å; G66-K69 PolarHBondContact O-N 2.97Å; I67-K69 VanDerWaalsContact C-N 3.28Å; I67-K69 PolarHBondContact O-N 3.14Å; K69-G72 PolarHBondContact O-N 2.96Å
70	K	97.1	Very high	97.4	Very high	163 Å²	163	58.4 Å²	58.4	71%	0.709	31%	0.306	S	S	*	.	H	α-helix	trans	-69.6	-37.5	-179.3	-71.8	174.2	-177.3	174.5	0	112.6	N65 G66 I67	N65-K70 WeakPolarHBondContact O-CE 3.39Å; G66-K70 WeakPolarHBondContact O-CG 3.48Å; G66-K70 PolarHBondContact O-N 3.23Å; I67-K70 PolarHBondContact O-N 2.99Å; I67-K70 VanDerWaalsContact O-N 3.13Å
71	D	97.1	Very high	97.4	Very high	59 Å²	59	58.9 Å²	58.9	32%	0.316	30%	0.303	S	S	.	.	H	α-helix	trans	-69.9	-39.1	175	-179.4	76.9	0	0	0	111.3	L30 I67 N73	L30-D71 HydrophobicContact CD2-CB 3.47Å; L30-D71 VanDerWaalsContact CD2-CB 3.47Å; L30-D71 WeakPolarHBondContact CD2-OD2 3.44Å; I67-D71 WeakPolarHBondContact O-CB 3.32Å; I67-D71 PolarHBondContact O-N 3.19Å; D71-N73 VanDerWaalsContact CG-ND2 3.28Å; D71-N73 PolarHBondContact O-N 3.1Å; D71-N73 PolarHBondContact O-ND2 3.37Å; D71-N73 PolarHBondContact OD1-ND2 3.39Å; D71-N73 WeakPolarHBondContact OD2-CB 3.37Å; D71-N73 PolarHBondContact OD2-N 2.8Å; D71-N73 PolarHBondContact OD2-ND2 3.27Å
72	G	97.5	Very high	97.3	Very high	53 Å²	53	53.8 Å²	53.8	55%	0.546	28%	0.283	S	S	.	.			trans	77.1	-5.8	173.2	0	0	0	0	0	114.5	A68 K69 L74	A68-G72 PolarHBondContact O-N 2.82Å; K69-G72 PolarHBondContact O-N 2.96Å; G72-L74 VanDerWaalsContact C-N 3.32Å; G72-L74 PolarHBondContact O-N 3.05Å
73	N	97.4	Very high	97.3	Very high	85 Å²	85	53 Å²	53	46%	0.455	28%	0.279	S	S	.	.			trans	-92.6	21.8	178.4	-50.5	-67.8	0	0	0	112.3	V28 D71 R113	V28-N73 HydrophobicContact CG1-CB 3.92Å; V28-N73 HydrophobicContact CG2-CB 4.09Å; V28-N73 VanDerWaalsContact CG2-O 3.23Å; V28-N73 WeakPolarHBondContact CG2-O 3.41Å; D71-N73 VanDerWaalsContact CG-ND2 3.28Å; D71-N73 PolarHBondContact O-N 3.1Å; D71-N73 PolarHBondContact O-ND2 3.37Å; D71-N73 PolarHBondContact OD1-ND2 3.39Å; D71-N73 WeakPolarHBondContact OD2-CB 3.37Å; D71-N73 PolarHBondContact OD2-N 2.8Å; D71-N73 PolarHBondContact OD2-ND2 3.27Å; N73-R113 PolarHBondContact O-NH1 2.9Å; N73-R113 PolarHBondContact O-NH2 2.89Å
74	L	98	Very high	97.2	Very high	10 Å²	10	53.1 Å²	53.1	5%	0.052	28%	0.282	C	S	.	.			trans	-129	145	167.4	-70.1	177.7	0	0	0	108.4	V28 L30 F40 I59 I62 A68 G72 V111	V28-L74 HydrophobicContact CB-CD2 4.14Å; V28-L74 HydrophobicContact CG1-CD2 4.24Å; V28-L74 HydrophobicContact CG1-CG 4.11Å; V28-L74 HydrophobicContact CG2-CD2 3.96Å; L30-L74 HydrophobicContact CD1-CD1 3.81Å; F40-L74 HydrophobicContact CD1-CD1 4.11Å; F40-L74 HydrophobicContact CE1-CD1 4.05Å; I59-L74 HydrophobicContact CD1-CB 4.06Å; I59-L74 HydrophobicContact CD1-CD1 4.07Å; I59-L74 HydrophobicContact CD1-CD2 4.03Å; I59-L74 HydrophobicContact CD1-CG 4.28Å; I62-L74 HydrophobicContact CD1-CB 4.06Å; I62-L74 WeakPolarHBondContact CD1-O 3.41Å; A68-L74 HydrophobicContact CB-CB 4.39Å; A68-L74 HydrophobicContact CB-CD1 3.94Å; G72-L74 VanDerWaalsContact C-N 3.32Å; G72-L74 PolarHBondContact O-N 3.05Å; L74-V111 HydrophobicContact CD2-CG1 3.89Å; L74-V111 HydrophobicContact CD2-CG2 4.48Å
75	A	97.9	Very high	97.1	Very high	44 Å²	44	49.8 Å²	49.8	36%	0.364	28%	0.283	S	S	.	.			trans	-126.9	155.6	176.7	0	0	0	0	0	111.6	D78	A75-D78 PolarHBondContact N-OD2 2.88Å; A75-D78 WeakPolarHBondContact O-CB 3.49Å; A75-D78 PolarHBondContact O-N 3.28Å
76	E	98	Very high	97.2	Very high	106 Å²	106	46.8 Å²	46.8	50%	0.495	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	138	166.2	-62.1	179.2	-179.2	0	0	109.1	K61 I62	K61-E76 VanDerWaalsContact CA-OE1 3.32Å; K61-E76 WeakPolarHBondContact CA-OE1 3.38Å; I62-E76 HydrophobicContact CG1-CG 4.13Å; I62-E76 PolarHBondContact N-OE1 2.71Å
77	G	97.5	Very high	97.3	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.01	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-5.5	-173.9	0	0	0	0	0	115.7	I59 A115 E116	I59-G77 PolarHBondContact O-N 2.86Å; G77-A115 PolarHBondContact O-N 2.89Å; G77-E116 VanDerWaalsContact CA-OE2 3.3Å; G77-E116 WeakPolarHBondContact CA-OE2 3.29Å; G77-E116 WeakPolarHBondContact O-CB 3.45Å; G77-E116 PolarHBondContact O-N 3.46Å
78	D	98	Very high	97.3	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	28%	0.281	C	S	.	.			trans	-67.2	139.8	170	-73.5	-11.1	0	0	0	110.7	Y58 I59 A75 V111 I112 R113 G114	Y58-D78 WeakPolarHBondContact CA-O 3.47Å; I59-D78 HydrophobicContact CD1-CB 4.18Å; I59-D78 PolarHBondContact N-O 2.58Å; A75-D78 PolarHBondContact N-OD2 2.88Å; A75-D78 WeakPolarHBondContact O-CB 3.49Å; A75-D78 PolarHBondContact O-N 3.28Å; D78-V111 HydrophobicContact CB-CB 4.49Å; D78-I112 WeakPolarHBondContact CA-O 3.4Å; D78-R113 VanDerWaalsContact OD1-CA 3.3Å; D78-R113 WeakPolarHBondContact OD1-CA 3.43Å; D78-R113 IonicContact OD2-CZ 2.67Å; D78-R113 IonicContact OD2-NH1 2.71Å; D78-R113 PolarHBondContact OD2-NH1 2.84Å; D78-G114 PolarHBondContact OD1-N 3.06Å
79	K	97.9	Very high	97	Very high	35 Å²	35	51.3 Å²	51.3	15%	0.152	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.8	174.4	-178.2	-176.6	-167.9	164.6	0	110.4	D54 I57 Y58 V111 I112 A115	D54-K79 IonicContact OD1-NZ 3.39Å; D54-K79 PolarHBondContact OD1-NZ 2.86Å; D54-K79 IonicContact OD2-NZ 2.69Å; D54-K79 PolarHBondContact OD2-NZ 2.83Å; I57-K79 CarbonylContact O-C 3.47Å; I57-K79 WeakPolarHBondContact O-CA 3.42Å; Y58-K79 HydrophobicContact CD1-CB 3.96Å; Y58-K79 HydrophobicContact CD1-CG 4.43Å; Y58-K79 HydrophobicContact CE1-CB 3.71Å; Y58-K79 HydrophobicContact CE1-CD 4.22Å; Y58-K79 HydrophobicContact CE1-CG 4.03Å; Y58-K79 HydrophobicContact CE2-CD 4.47Å; Y58-K79 HydrophobicContact CE2-CG 4.33Å; K79-V111 CarbonylContact O-C 3.49Å; K79-V111 WeakPolarHBondContact O-CA 3.45Å; K79-I112 HydrophobicContact CB-CB 4.27Å; K79-I112 HydrophobicContact CD-CD1 4.29Å; K79-I112 PolarHBondContact N-O 2.9Å; K79-I112 PolarHBondContact O-N 3.35Å; K79-A115 HydrophobicContact CB-CB 3.49Å; K79-A115 VanDerWaalsContact CB-CB 3.49Å
80	I	98.2	Very high	96.9	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	113.6	173.4	-50.2	172.8	0	0	0	108.3	F40 I42 I57 I59 V83 L88 F109 V111	F40-I80 HydrophobicContact CE2-CD1 3.7Å; F40-I80 HydrophobicContact CZ-CD1 3.97Å; I42-I80 HydrophobicContact CG2-CD1 4.31Å; I57-I80 PolarHBondContact O-N 2.74Å; I59-I80 HydrophobicContact CD1-CD1 4.15Å; I59-I80 HydrophobicContact CD1-CG1 4.26Å; I59-I80 HydrophobicContact CG1-CD1 3.83Å; I59-I80 HydrophobicContact CG1-CG1 4.02Å; I80-V83 HydrophobicContact CG2-CG2 3.86Å; I80-L88 HydrophobicContact CB-CD1 4.5Å; I80-L88 HydrophobicContact CG2-CD1 3.87Å; I80-F109 HydrophobicContact CD1-CD1 4.35Å; I80-F109 HydrophobicContact CG2-CD1 4.24Å; I80-V111 HydrophobicContact CG1-CG1 4.06Å
81	F	97	Very high	96.9	Very high	54 Å²	54	45.5 Å²	45.5	24%	0.237	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-16.7	-179	70.9	-92.2	0	0	0	113.5	I25 L88 F110 I112	I25-F81 HydrophobicContact CG1-CE1 4.44Å; I25-F81 HydrophobicContact CG2-CE1 3.84Å; I25-F81 HydrophobicContact CG2-CZ 3.77Å; F81-L88 PolarHBondContact O-N 3.2Å; F81-F110 HydrophobicContact CD1-CB 4.23Å; F81-F110 WeakPolarHBondContact CD1-O 3.23Å; F81-F110 HydrophobicContact CD2-CB 4.3Å; F81-F110 VanDerWaalsContact CE1-C 3.41Å; F81-F110 HydrophobicContact CE1-CB 3.67Å; F81-F110 HydrophobicContact CE2-CB 3.75Å; F81-F110 HydrophobicContact CZ-CB 3.43Å; F81-F110 VanDerWaalsContact CZ-CB 3.43Å; F81-F110 HydrophobicContact CZ-CG 4.36Å; F81-F110 PolarHBondContact N-O 2.79Å; F81-I112 HydrophobicContact CD1-CG1 3.94Å; F81-I112 HydrophobicContact CE1-CG1 4.17Å
82	A	98	Very high	97	Very high	8 Å²	8	44.6 Å²	44.6	7%	0.066	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	156.6	169.7	0	0	0	0	0	112.7	T86 F110	A82-T86 CarbonylContact C-O 3.29Å; A82-T86 WeakPolarHBondContact CA-O 3.46Å; A82-T86 WeakPolarHBondContact CB-O 3.44Å; A82-F110 HydrophobicContact CB-CB 4.07Å; A82-F110 HydrophobicContact CB-CD2 3.93Å; A82-F110 HydrophobicContact CB-CG 4.32Å; A82-F110 PolarHBondContact N-O 3.23Å; A82-F110 PolarHBondContact O-N 2.94Å
83	V	98	Very high	97.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	121.6	175.5	177.8	0	0	0	0	109.1	I80 G85 T86 L88 V99 L100 T107 T108 F109	I80-V83 HydrophobicContact CG2-CG2 3.86Å; V83-G85 PolarHBondContact O-N 3.15Å; V83-G85 VanDerWaalsContact O-N 3.11Å; V83-T86 PolarHBondContact N-O 3.15Å; V83-T86 WeakPolarHBondContact O-CA 3.17Å; V83-T86 VanDerWaalsContact O-CB 3.23Å; V83-T86 WeakPolarHBondContact O-CB 3.44Å; V83-T86 PolarHBondContact O-N 2.92Å; V83-T86 PolarHBondContact O-OG1 3.1Å; V83-L88 HydrophobicContact CG2-CD1 3.77Å; V83-L88 HydrophobicContact CG2-CG 4.4Å; V83-V99 HydrophobicContact CB-CG1 4.23Å; V83-L100 HydrophobicContact CG2-CD2 3.84Å; V83-T107 HydrophobicContact CG1-CG2 3.4Å; V83-T107 VanDerWaalsContact CG1-CG2 3.4Å; V83-T108 CarbonylContact C-O 3.52Å; V83-T108 WeakPolarHBondContact CA-O 3.4Å; V83-F109 HydrophobicContact CG1-CE1 4.41Å; V83-F109 HydrophobicContact CG2-CD1 3.82Å; V83-F109 HydrophobicContact CG2-CE1 4.09Å
84	N	96	Very high	97.1	Very high	76 Å²	76	47.7 Å²	47.7	41%	0.406	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	35.3	-175.2	-70.2	-17.6	0	0	0	113	T86 T107 T108	N84-T86 PolarHBondContact O-N 2.71Å; N84-T107 WeakPolarHBondContact OD1-CA 3.38Å; N84-T108 PolarHBondContact N-O 3.37Å; N84-T108 PolarHBondContact OD1-N 2.88Å
85	G	93.5	Very high	97.1	Very high	61 Å²	61	51.9 Å²	51.9	63%	0.629	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-7.8	-175.3	0	0	0	0	0	115.4	V83 N87	V83-G85 PolarHBondContact O-N 3.15Å; V83-G85 VanDerWaalsContact O-N 3.11Å; G85-N87 PolarHBondContact O-N 2.97Å
86	T	96.7	Very high	97.1	Very high	73 Å²	73	49.8 Å²	49.8	45%	0.448	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	115.8	171.2	-56.3	0	0	0	0	109.5	A82 V83 N84 V99	A82-T86 CarbonylContact C-O 3.29Å; A82-T86 WeakPolarHBondContact CA-O 3.46Å; A82-T86 WeakPolarHBondContact CB-O 3.44Å; V83-T86 PolarHBondContact N-O 3.15Å; V83-T86 WeakPolarHBondContact O-CA 3.17Å; V83-T86 VanDerWaalsContact O-CB 3.23Å; V83-T86 WeakPolarHBondContact O-CB 3.44Å; V83-T86 PolarHBondContact O-N 2.92Å; V83-T86 PolarHBondContact O-OG1 3.1Å; N84-T86 PolarHBondContact O-N 2.71Å; T86-V99 HydrophobicContact CG2-CG1 4.31Å; T86-V99 HydrophobicContact CG2-CG2 4.39Å
87	N	97.2	Very high	97.1	Very high	102 Å²	102	46 Å²	46	55%	0.545	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.1	179.3	-171.9	-80.9	0	0	0	111.4	G85 G89	G85-N87 PolarHBondContact O-N 2.97Å; N87-G89 VanDerWaalsContact OD1-CA 3.32Å; N87-G89 WeakPolarHBondContact OD1-CA 3.39Å; N87-G89 PolarHBondContact OD1-N 2.86Å; N87-G89 PolarHBondContact OD1-O 2.75Å
88	L	97.5	Very high	97.1	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	28%	0.276	C	S	.	.			trans	-109.5	7.7	176.7	-51.2	-170.4	0	0	0	112.9	I57 I80 F81 V83 N90 I91 V99	I57-L88 HydrophobicContact CG1-CB 4.25Å; I80-L88 HydrophobicContact CB-CD1 4.5Å; I80-L88 HydrophobicContact CG2-CD1 3.87Å; F81-L88 PolarHBondContact O-N 3.2Å; V83-L88 HydrophobicContact CG2-CD1 3.77Å; V83-L88 HydrophobicContact CG2-CG 4.4Å; L88-N90 PolarHBondContact O-N 2.62Å; L88-I91 HydrophobicContact CB-CD1 3.95Å; L88-I91 HydrophobicContact CB-CG1 4.4Å; L88-I91 HydrophobicContact CD2-CD1 3.56Å; L88-I91 HydrophobicContact CG-CD1 4.27Å; L88-V99 HydrophobicContact CD2-CB 4.18Å; L88-V99 HydrophobicContact CD2-CG1 3.92Å; L88-V99 HydrophobicContact CD2-CG2 4.26Å
89	G	91.8	Very high	97.1	Very high	40 Å²	40	50.7 Å²	50.7	41%	0.412	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	115.4	174.7	0	0	0	0	0	110.1	N87	N87-G89 VanDerWaalsContact OD1-CA 3.32Å; N87-G89 WeakPolarHBondContact OD1-CA 3.39Å; N87-G89 PolarHBondContact OD1-N 2.86Å; N87-G89 PolarHBondContact OD1-O 2.75Å
90	N	95.1	Very high	97	Very high	110 Å²	110	49.8 Å²	49.8	59%	0.588	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	27.8	174.1	-152.7	71.8	0	0	0	116.2	P55 L88	P55-N90 WeakPolarHBondContact CB-OD1 3.3Å; P55-N90 HydrophobicContact CG-CB 4.26Å; P55-N90 VanDerWaalsContact CG-OD1 3.31Å; P55-N90 WeakPolarHBondContact CG-OD1 3.36Å; L88-N90 PolarHBondContact O-N 2.62Å
91	I	97.8	Very high	96.8	Very high	33 Å²	33	57.8 Å²	57.8	17%	0.169	31%	0.313	C	S	.	.			trans	-96.6	160.5	168.1	67.8	175.2	0	0	0	110.9	G45 S46 L88 E95 A96	G45-I91 WeakPolarHBondContact CA-O 3.46Å; S46-I91 PolarHBondContact N-O 3.47Å; S46-I91 PolarHBondContact OG-O 3.32Å; L88-I91 HydrophobicContact CB-CD1 3.95Å; L88-I91 HydrophobicContact CB-CG1 4.4Å; L88-I91 HydrophobicContact CD2-CD1 3.56Å; L88-I91 HydrophobicContact CG-CD1 4.27Å; I91-E95 HydrophobicContact CB-CB 4.17Å; I91-E95 HydrophobicContact CD1-CB 4.26Å; I91-E95 HydrophobicContact CG1-CB 4.49Å; I91-A96 HydrophobicContact CD1-CB 3.72Å; I91-A96 HydrophobicContact CG1-CB 4.17Å
92	T	98.5	Very high	96.7	Very high	39 Å²	39	61.1 Å²	61.1	24%	0.239	33%	0.333	C	S	.	.			trans	-68.4	156.5	175	63.7	0	0	0	0	111.3	S46 D47 K94 E95 A96	S46-T92 PolarHBondContact OG-N 2.97Å; D47-T92 HydrophobicContact CB-CG2 4.17Å; D47-T92 VanDerWaalsContact OD1-CA 3.25Å; D47-T92 WeakPolarHBondContact OD1-CA 3.35Å; D47-T92 WeakPolarHBondContact OD1-CB 3.17Å; T92-K94 PolarHBondContact O-N 3.49Å; T92-E95 WeakPolarHBondContact CB-OE2 3.32Å; T92-E95 PolarHBondContact N-OE2 2.85Å; T92-E95 PolarHBondContact O-N 2.95Å; T92-E95 VanDerWaalsContact O-N 3.12Å; T92-E95 WeakPolarHBondContact OG1-CB 3.47Å; T92-E95 WeakPolarHBondContact OG1-CG 3.39Å; T92-E95 PolarHBondContact OG1-N 3.31Å; T92-E95 PolarHBondContact OG1-OE2 3.39Å; T92-A96 PolarHBondContact O-N 3.43Å
93	H	98.4	Very high	96.5	Very high	51 Å²	51	61.2 Å²	61.2	24%	0.236	33%	0.333	C	S	.	.	H	α-helix	trans	-53.4	-43.3	174.5	-173.8	85.7	0	0	0	111.4	I42 G44 D47 A96 V97	I42-H93 PolarHBondContact O-CE1 2.86Å; G44-H93 VanDerWaalsContact O-CB 3.3Å; G44-H93 WeakPolarHBondContact O-CB 3.37Å; G44-H93 PolarHBondContact O-ND1 3.39Å; D47-H93 PolarHBondContact OD1-N 3.48Å; H93-A96 PolarHBondContact O-N 2.76Å; H93-V97 WeakPolarHBondContact O-CG2 3.16Å; H93-V97 PolarHBondContact O-N 2.83Å
94	K	98.4	Very high	96.1	Very high	153 Å²	153	69 Å²	69	67%	0.665	37%	0.37	S	S	*	.	H	α-helix	trans	-63.6	-42.3	179.4	-175.2	-179.2	177.7	-175.7	0	111.8	T92 V97 N98	T92-K94 PolarHBondContact O-N 3.49Å; K94-V97 PolarHBondContact O-N 3.47Å; K94-N98 PolarHBondContact O-N 3.15Å; K94-N98 PolarHBondContact O-ND2 2.92Å; K94-N98 PolarHBondContact O-OD1 3.27Å
95	E	98.2	Very high	95.9	Very high	97 Å²	97	66.9 Å²	66.9	45%	0.453	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-42.8	175.7	-73.7	163.4	151.3	0	0	111.4	I91 T92 V97 N98 V99	I91-E95 HydrophobicContact CB-CB 4.17Å; I91-E95 HydrophobicContact CD1-CB 4.26Å; I91-E95 HydrophobicContact CG1-CB 4.49Å; T92-E95 WeakPolarHBondContact CB-OE2 3.32Å; T92-E95 PolarHBondContact N-OE2 2.85Å; T92-E95 PolarHBondContact O-N 2.95Å; T92-E95 VanDerWaalsContact O-N 3.12Å; T92-E95 WeakPolarHBondContact OG1-CB 3.47Å; T92-E95 WeakPolarHBondContact OG1-CG 3.39Å; T92-E95 PolarHBondContact OG1-N 3.31Å; T92-E95 PolarHBondContact OG1-OE2 3.39Å; E95-V97 PolarHBondContact O-N 2.74Å; E95-N98 WeakPolarHBondContact O-CB 3.24Å; E95-N98 PolarHBondContact O-N 3.48Å; E95-N98 VanDerWaalsContact O-N 3.1Å; E95-V99 WeakPolarHBondContact O-CG2 3.45Å; E95-V99 PolarHBondContact O-N 2.86Å
96	A	98.2	Very high	96	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-58.6	-47.4	175.3	0	0	0	0	0	111.6	I42 I57 I91 T92 H93 N98 V99 L100	I42-A96 HydrophobicContact CD1-CB 4.07Å; I57-A96 HydrophobicContact CD1-CB 3.49Å; I57-A96 VanDerWaalsContact CD1-CB 3.49Å; I57-A96 HydrophobicContact CG1-CB 3.76Å; I57-A96 HydrophobicContact CG2-CB 4.47Å; I91-A96 HydrophobicContact CD1-CB 3.72Å; I91-A96 HydrophobicContact CG1-CB 4.17Å; T92-A96 PolarHBondContact O-N 3.43Å; H93-A96 PolarHBondContact O-N 2.76Å; A96-N98 VanDerWaalsContact C-N 3.28Å; A96-N98 PolarHBondContact O-N 3.22Å; A96-V99 PolarHBondContact O-N 3.37Å; A96-L100 VanDerWaalsContact O-CG 3.27Å; A96-L100 WeakPolarHBondContact O-CG 3.35Å; A96-L100 PolarHBondContact O-N 2.74Å
97	V	97.5	Very high	96.1	Very high	27 Å²	27	64.8 Å²	64.8	16%	0.164	34%	0.342	C	S	.	.	H	α-helix	trans	-57.7	-41.5	174.5	170.5	0	0	0	0	111.3	I42 H93 K94 E95 L100 R101	I42-V97 HydrophobicContact CD1-CG2 3.89Å; I42-V97 HydrophobicContact CG1-CG2 4.36Å; H93-V97 WeakPolarHBondContact O-CG2 3.16Å; H93-V97 PolarHBondContact O-N 2.83Å; K94-V97 PolarHBondContact O-N 3.47Å; E95-V97 PolarHBondContact O-N 2.74Å; V97-L100 PolarHBondContact O-N 3.04Å; V97-R101 HydrophobicContact CG1-CG 4.18Å; V97-R101 WeakPolarHBondContact O-CB 3.27Å; V97-R101 VanDerWaalsContact O-CG 3.27Å; V97-R101 WeakPolarHBondContact O-CG 3.38Å; V97-R101 PolarHBondContact O-N 2.96Å
98	N	97.5	Very high	96.1	Very high	66 Å²	66	61.6 Å²	61.6	35%	0.353	33%	0.326	S	S	.	.	H	α-helix	trans	-65.1	-44.6	178.5	-70.6	-15.1	0	0	0	112	K94 E95 A96 L100 R101 N102	K94-N98 PolarHBondContact O-N 3.15Å; K94-N98 PolarHBondContact O-ND2 2.92Å; K94-N98 PolarHBondContact O-OD1 3.27Å; E95-N98 WeakPolarHBondContact O-CB 3.24Å; E95-N98 PolarHBondContact O-N 3.48Å; E95-N98 VanDerWaalsContact O-N 3.1Å; A96-N98 VanDerWaalsContact C-N 3.28Å; A96-N98 PolarHBondContact O-N 3.22Å; N98-L100 VanDerWaalsContact C-N 3.32Å; N98-L100 PolarHBondContact O-N 3.4Å; N98-R101 PolarHBondContact O-N 3.45Å; N98-N102 VanDerWaalsContact O-CB 3.27Å; N98-N102 WeakPolarHBondContact O-CB 3.27Å; N98-N102 PolarHBondContact O-N 3.37Å; N98-N102 PolarHBondContact O-ND2 3.13Å
99	V	97.1	Very high	96.2	Very high	37 Å²	37	61.6 Å²	61.6	22%	0.224	33%	0.326	C	S	.	.	H	α-helix	trans	-58.3	-46.5	176	174.4	0	0	0	0	110.6	V83 T86 L88 E95 A96 S103	V83-V99 HydrophobicContact CB-CG1 4.23Å; T86-V99 HydrophobicContact CG2-CG1 4.31Å; T86-V99 HydrophobicContact CG2-CG2 4.39Å; L88-V99 HydrophobicContact CD2-CB 4.18Å; L88-V99 HydrophobicContact CD2-CG1 3.92Å; L88-V99 HydrophobicContact CD2-CG2 4.26Å; E95-V99 WeakPolarHBondContact O-CG2 3.45Å; E95-V99 PolarHBondContact O-N 2.86Å; A96-V99 PolarHBondContact O-N 3.37Å; V99-S103 PolarHBondContact O-N 3.49Å; V99-S103 VanDerWaalsContact O-N 3.15Å; V99-S103 PolarHBondContact O-OG 2.8Å
100	L	96.3	Very high	96.4	Very high	16 Å²	16	62.8 Å²	62.8	8%	0.084	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-43.3	178.2	-65.1	173.7	0	0	0	112.3	F38 F40 I42 V83 A96 V97 N98 S103 F109	F38-L100 WeakPolarHBondContact CE2-O 3.5Å; F40-L100 HydrophobicContact CE2-CD1 4.28Å; F40-L100 HydrophobicContact CZ-CD2 4.34Å; I42-L100 HydrophobicContact CD1-CD1 3.76Å; I42-L100 HydrophobicContact CG1-CD1 4.38Å; I42-L100 HydrophobicContact CG2-CD1 4.03Å; V83-L100 HydrophobicContact CG2-CD2 3.84Å; A96-L100 VanDerWaalsContact O-CG 3.27Å; A96-L100 WeakPolarHBondContact O-CG 3.35Å; A96-L100 PolarHBondContact O-N 2.74Å; V97-L100 PolarHBondContact O-N 3.04Å; N98-L100 VanDerWaalsContact C-N 3.32Å; N98-L100 PolarHBondContact O-N 3.4Å; L100-S103 PolarHBondContact O-N 2.99Å; L100-F109 HydrophobicContact CD2-CD1 4.35Å; L100-F109 HydrophobicContact CD2-CE1 3.59Å
101	R	94.5	Very high	96.6	Very high	170 Å²	170	57.6 Å²	57.6	64%	0.642	29%	0.292	S	S	*	.	H	α-helix	trans	-67.5	-38.4	-179.6	-77.6	178.7	178.8	174.1	0.1	112.6	K32 V97 N98 S103	K32-R101 PolarHBondContact NZ-O 2.84Å; V97-R101 HydrophobicContact CG1-CG 4.18Å; V97-R101 WeakPolarHBondContact O-CB 3.27Å; V97-R101 VanDerWaalsContact O-CG 3.27Å; V97-R101 WeakPolarHBondContact O-CG 3.38Å; V97-R101 PolarHBondContact O-N 2.96Å; N98-R101 PolarHBondContact O-N 3.45Å; R101-S103 VanDerWaalsContact C-N 3.28Å
102	N	94.2	Very high	96.5	Very high	123 Å²	123	57.5 Å²	57.5	66%	0.658	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.3	-177.9	-62.3	-16.5	0	0	0	113	N98 E104	N98-N102 VanDerWaalsContact O-CB 3.27Å; N98-N102 WeakPolarHBondContact O-CB 3.27Å; N98-N102 PolarHBondContact O-N 3.37Å; N98-N102 PolarHBondContact O-ND2 3.13Å; N102-E104 PolarHBondContact O-N 3.11Å
103	S	93.6	Very high	96.4	Very high	11 Å²	11	58 Å²	58	8%	0.077	29%	0.29	C	S	.	.			trans	-72.3	125	171.5	-62.7	0	0	0	0	109.7	K32 V99 L100 R101	K32-S103 WeakPolarHBondContact CD-O 3.46Å; V99-S103 PolarHBondContact O-N 3.49Å; V99-S103 VanDerWaalsContact O-N 3.15Å; V99-S103 PolarHBondContact O-OG 2.8Å; L100-S103 PolarHBondContact O-N 2.99Å; R101-S103 VanDerWaalsContact C-N 3.28Å
104	E	90.2	Very high	96.1	Very high	164 Å²	164	56.4 Å²	56.4	77%	0.766	29%	0.287	S	S	*	.			trans	-121.9	151.3	-178.7	-65.9	-177.5	179.8	0	0	110.4	N102	N102-E104 PolarHBondContact O-N 3.11Å
105	G	91.7	Very high	95.9	Very high	31 Å²	31	49.8 Å²	49.8	32%	0.32	26%	0.26	S	S	.	.	S	Bend	trans	66.4	-151.3	-179.2	0	0	0	0	0	113.4	K32 T107	K32-G105 PolarHBondContact N-O 2.88Å; G105-T107 PolarHBondContact O-N 3.06Å; G105-T107 PolarHBondContact O-OG1 3.47Å
106	P	95.8	Very high	95.7	Very high	89 Å²	89	46.5 Å²	46.5	58%	0.578	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	119.4	173.1	-20.4	33.3	0	0	0	110.5	T29	T29-P106 HydrophobicContact CG2-CB 4.01Å
107	T	97.8	Very high	95.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	116.2	-178.4	-59.2	0	0	0	0	109.4	T29 L30 F38 V83 N84 G105 F109	T29-T107 WeakPolarHBondContact CA-O 3.21Å; L30-T107 PolarHBondContact N-O 3.29Å; L30-T107 PolarHBondContact O-N 3.22Å; F38-T107 HydrophobicContact CE1-CG2 4.25Å; F38-T107 HydrophobicContact CZ-CG2 3.78Å; V83-T107 HydrophobicContact CG1-CG2 3.4Å; V83-T107 VanDerWaalsContact CG1-CG2 3.4Å; N84-T107 WeakPolarHBondContact OD1-CA 3.38Å; G105-T107 PolarHBondContact O-N 3.06Å; G105-T107 PolarHBondContact O-OG1 3.47Å; T107-F109 HydrophobicContact CG2-CE1 4.22Å; T107-F109 HydrophobicContact CG2-CE2 3.84Å; T107-F109 HydrophobicContact CG2-CZ 3.66Å; T107-F109 WeakPolarHBondContact O-CD2 3.39Å; T107-F109 WeakPolarHBondContact O-CE2 3.14Å
108	T	98.2	Very high	94.9	Very high	36 Å²	36	51.7 Å²	51.7	22%	0.221	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	115.7	178.4	-54.5	0	0	0	0	110.5	A27 V28 T29 V83 N84 F110	A27-T108 HydrophobicContact CB-CG2 4.2Å; V28-T108 CarbonylContact O-C 3.56Å; V28-T108 WeakPolarHBondContact O-CA 3.47Å; T29-T108 PolarHBondContact OG1-OG1 2.82Å; V83-T108 CarbonylContact C-O 3.52Å; V83-T108 WeakPolarHBondContact CA-O 3.4Å; N84-T108 PolarHBondContact N-O 3.37Å; N84-T108 PolarHBondContact OD1-N 2.88Å; T108-F110 HydrophobicContact CG2-CD2 4.45Å; T108-F110 HydrophobicContact CG2-CE2 3.94Å; T108-F110 HydrophobicContact CG2-CZ 4Å
109	F	98.3	Very high	94.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.5	172	-58.4	-87.9	0	0	0	109.4	A27 V28 L30 F38 F40 I80 V83 L100 T107 V111	A27-F109 CarbonylContact C-O 3.46Å; A27-F109 WeakPolarHBondContact CA-O 3.41Å; V28-F109 PolarHBondContact N-O 2.87Å; V28-F109 WeakPolarHBondContact O-CD2 3.16Å; V28-F109 PolarHBondContact O-N 3.28Å; L30-F109 HydrophobicContact CB-CE2 3.94Å; L30-F109 HydrophobicContact CD1-CD2 4.2Å; L30-F109 HydrophobicContact CD1-CE2 3.79Å; L30-F109 HydrophobicContact CG-CD2 4.1Å; L30-F109 HydrophobicContact CG-CE2 3.85Å; F38-F109 AromaticContact CD1-CE2 3.99Å; F38-F109 HydrophobicContact CD1-CE2 3.99Å; F38-F109 AromaticContact CD1-CZ 3.76Å; F38-F109 HydrophobicContact CD1-CZ 3.76Å; F38-F109 HydrophobicContact CD2-CE1 4.42Å; F38-F109 AromaticContact CD2-CZ 3.73Å; F38-F109 HydrophobicContact CD2-CZ 3.73Å; F38-F109 HydrophobicContact CE1-CE2 4.01Å; F38-F109 AromaticContact CE1-CZ 3.76Å; F38-F109 HydrophobicContact CE1-CZ 3.76Å; F38-F109 HydrophobicContact CE2-CE1 4.44Å; F38-F109 AromaticContact CE2-CZ 3.73Å; F38-F109 HydrophobicContact CE2-CZ 3.73Å; F38-F109 HydrophobicContact CG-CE2 4.36Å; F38-F109 AromaticContact CG-CZ 3.75Å; F38-F109 HydrophobicContact CG-CZ 3.75Å; F38-F109 HydrophobicContact CZ-CE2 4.4Å; F38-F109 AromaticContact CZ-CZ 3.76Å; F38-F109 HydrophobicContact CZ-CZ 3.76Å; F40-F109 HydrophobicContact CE1-CE1 4.12Å; F40-F109 HydrophobicContact CE1-CZ 4.1Å; F40-F109 HydrophobicContact CZ-CD1 4.27Å; F40-F109 AromaticContact CZ-CE1 3.68Å; F40-F109 HydrophobicContact CZ-CE1 3.68Å; F40-F109 HydrophobicContact CZ-CZ 4.09Å; I80-F109 HydrophobicContact CD1-CD1 4.35Å; I80-F109 HydrophobicContact CG2-CD1 4.24Å; V83-F109 HydrophobicContact CG1-CE1 4.41Å; V83-F109 HydrophobicContact CG2-CD1 3.82Å; V83-F109 HydrophobicContact CG2-CE1 4.09Å; L100-F109 HydrophobicContact CD2-CD1 4.35Å; L100-F109 HydrophobicContact CD2-CE1 3.59Å; T107-F109 HydrophobicContact CG2-CE1 4.22Å; T107-F109 HydrophobicContact CG2-CE2 3.84Å; T107-F109 HydrophobicContact CG2-CZ 3.66Å; T107-F109 WeakPolarHBondContact O-CD2 3.39Å; T107-F109 WeakPolarHBondContact O-CE2 3.14Å; F109-V111 HydrophobicContact CB-CG1 4.21Å
110	F	98.1	Very high	93.7	Very high	66 Å²	66	52.9 Å²	52.9	29%	0.289	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	119	168.6	-63.4	-91.9	0	0	0	108.3	D26 A27 F81 A82 T108	D26-F110 WeakPolarHBondContact O-CA 3.38Å; A27-F110 HydrophobicContact CB-CD1 4.06Å; A27-F110 HydrophobicContact CB-CE1 3.98Å; F81-F110 HydrophobicContact CD1-CB 4.23Å; F81-F110 WeakPolarHBondContact CD1-O 3.23Å; F81-F110 HydrophobicContact CD2-CB 4.3Å; F81-F110 VanDerWaalsContact CE1-C 3.41Å; F81-F110 HydrophobicContact CE1-CB 3.67Å; F81-F110 HydrophobicContact CE2-CB 3.75Å; F81-F110 HydrophobicContact CZ-CB 3.43Å; F81-F110 VanDerWaalsContact CZ-CB 3.43Å; F81-F110 HydrophobicContact CZ-CG 4.36Å; F81-F110 PolarHBondContact N-O 2.79Å; A82-F110 HydrophobicContact CB-CB 4.07Å; A82-F110 HydrophobicContact CB-CD2 3.93Å; A82-F110 HydrophobicContact CB-CG 4.32Å; A82-F110 PolarHBondContact N-O 3.23Å; A82-F110 PolarHBondContact O-N 2.94Å; T108-F110 HydrophobicContact CG2-CD2 4.45Å; T108-F110 HydrophobicContact CG2-CE2 3.94Å; T108-F110 HydrophobicContact CG2-CZ 4Å
111	V	97.9	Very high	93.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.1	-171.7	-59.7	0	0	0	0	112.4	I25 D26 V28 L74 D78 K79 I80 F109	I25-V111 WeakPolarHBondContact CA-O 2.89Å; D26-V111 HydrophobicContact CB-CG2 4Å; D26-V111 PolarHBondContact N-O 3.44Å; D26-V111 PolarHBondContact O-N 2.99Å; V28-V111 HydrophobicContact CG2-CG2 4.38Å; L74-V111 HydrophobicContact CD2-CG1 3.89Å; L74-V111 HydrophobicContact CD2-CG2 4.48Å; D78-V111 HydrophobicContact CB-CB 4.49Å; K79-V111 CarbonylContact O-C 3.49Å; K79-V111 WeakPolarHBondContact O-CA 3.45Å; I80-V111 HydrophobicContact CG1-CG1 4.06Å; F109-V111 HydrophobicContact CB-CG1 4.21Å
112	I	96.5	Very high	91.5	Very high	32 Å²	32	51.3 Å²	51.3	16%	0.164	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.6	161.1	-60	174.7	0	0	0	107.2	P23 I25 D78 K79 F81 A115	P23-I112 HydrophobicContact CB-CG2 3.37Å; I25-I112 HydrophobicContact CG1-CG1 4.17Å; D78-I112 WeakPolarHBondContact CA-O 3.4Å; K79-I112 HydrophobicContact CB-CB 4.27Å; K79-I112 HydrophobicContact CD-CD1 4.29Å; K79-I112 PolarHBondContact N-O 2.9Å; K79-I112 PolarHBondContact O-N 3.35Å; F81-I112 HydrophobicContact CD1-CG1 3.94Å; F81-I112 HydrophobicContact CE1-CG1 4.17Å; I112-A115 HydrophobicContact CB-CB 4.06Å; I112-A115 HydrophobicContact CG2-CB 3.81Å
113	R	95.4	Very high	90.2	Very high	50 Å²	50	49 Å²	49	19%	0.189	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	130.6	-176.1	-62.9	-57.5	-167.9	174.3	1.8	111.5	T24 D26 V28 N73 D78 A115	T24-R113 HydrophobicContact CG2-CB 4.5Å; T24-R113 HydrophobicContact CG2-CG 4.11Å; T24-R113 PolarHBondContact O-N 2.88Å; D26-R113 HydrophobicContact CB-CG 4.31Å; D26-R113 IonicContact OD2-CZ 3.87Å; D26-R113 IonicContact OD2-NE 3.58Å; D26-R113 PolarHBondContact OD2-NE 3.46Å; D26-R113 IonicContact OD2-NH2 2.77Å; D26-R113 PolarHBondContact OD2-NH2 3.26Å; V28-R113 VanDerWaalsContact CG2-NH2 3.3Å; N73-R113 PolarHBondContact O-NH1 2.9Å; N73-R113 PolarHBondContact O-NH2 2.89Å; D78-R113 VanDerWaalsContact OD1-CA 3.3Å; D78-R113 WeakPolarHBondContact OD1-CA 3.43Å; D78-R113 IonicContact OD2-CZ 2.67Å; D78-R113 IonicContact OD2-NH1 2.71Å; D78-R113 PolarHBondContact OD2-NH1 2.84Å; R113-A115 PolarHBondContact O-N 2.91Å
114	G	93.2	Very high	88.9	Confident	17 Å²	17	50.6 Å²	50.6	18%	0.175	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	21.4	174.8	0	0	0	0	0	114.6	D78 E116 N117 D118	D78-G114 PolarHBondContact OD1-N 3.06Å; G114-E116 PolarHBondContact O-N 2.98Å; G114-E116 VanDerWaalsContact O-N 3.14Å; G114-N117 WeakPolarHBondContact O-CA 3.39Å; G114-N117 WeakPolarHBondContact O-CB 3.4Å; G114-N117 PolarHBondContact O-N 3.27Å; G114-D118 PolarHBondContact O-N 2.96Å
115	A	93.6	Very high	87.6	Confident	13 Å²	13	46.7 Å²	46.7	11%	0.107	27%	0.269	C	S	.	.	H	α-helix	trans	-54.4	-36.8	-174.5	0	0	0	0	0	113.3	Y58 G77 K79 I112 R113 Y119	Y58-A115 HydrophobicContact CE1-CB 3.98Å; G77-A115 PolarHBondContact O-N 2.89Å; K79-A115 HydrophobicContact CB-CB 3.49Å; K79-A115 VanDerWaalsContact CB-CB 3.49Å; I112-A115 HydrophobicContact CB-CB 4.06Å; I112-A115 HydrophobicContact CG2-CB 3.81Å; R113-A115 PolarHBondContact O-N 2.91Å; A115-Y119 WeakPolarHBondContact O-CB 3.48Å; A115-Y119 PolarHBondContact O-N 3.43Å
116	E	93.4	Very high	86.2	Confident	29 Å²	29	53.4 Å²	53.4	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-48	173.2	177.7	175.5	-178.6	0	0	111.7	Y50 Y58 G77 G114 D118 Y119 L120	Y50-E116 VanDerWaalsContact CE1-CD 3.49Å; Y50-E116 HydrophobicContact CE1-CG 4.16Å; Y50-E116 WeakPolarHBondContact CE1-OE1 3.41Å; Y50-E116 PolarHBondContact OH-OE1 2.93Å; Y58-E116 HydrophobicContact CD1-CB 4.19Å; Y58-E116 HydrophobicContact CE1-CB 4.42Å; G77-E116 VanDerWaalsContact CA-OE2 3.3Å; G77-E116 WeakPolarHBondContact CA-OE2 3.29Å; G77-E116 WeakPolarHBondContact O-CB 3.45Å; G77-E116 PolarHBondContact O-N 3.46Å; G114-E116 PolarHBondContact O-N 2.98Å; G114-E116 VanDerWaalsContact O-N 3.14Å; E116-D118 VanDerWaalsContact C-N 3.31Å; E116-D118 PolarHBondContact O-N 2.94Å; E116-Y119 WeakPolarHBondContact O-CB 3.48Å; E116-Y119 PolarHBondContact O-N 3.29Å; E116-L120 HydrophobicContact CG-CD1 3.98Å; E116-L120 VanDerWaalsContact O-CG 3.32Å; E116-L120 WeakPolarHBondContact O-CG 3.27Å; E116-L120 PolarHBondContact O-N 3.44Å
117	N	91.5	Very high	84.7	Confident	97 Å²	97	56.5 Å²	56.5	52%	0.519	29%	0.288	S	S	.	.	H	α-helix	trans	-62.2	-42.8	178.8	-63.7	-51.5	0	0	0	110.7	G114 Y119 L120 K121	G114-N117 WeakPolarHBondContact O-CA 3.39Å; G114-N117 WeakPolarHBondContact O-CB 3.4Å; G114-N117 PolarHBondContact O-N 3.27Å; N117-Y119 VanDerWaalsContact C-N 3.31Å; N117-Y119 PolarHBondContact O-N 3.49Å; N117-L120 CarbonylContact O-C 3.55Å; N117-L120 PolarHBondContact O-N 3.22Å; N117-L120 VanDerWaalsContact O-N 3.14Å; N117-K121 WeakPolarHBondContact O-CG 3.31Å; N117-K121 PolarHBondContact O-N 2.83Å
118	D	87.9	Confident	83.1	Confident	39 Å²	39	57.4 Å²	57.4	21%	0.209	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-45	175.7	-70.9	-22.7	0	0	0	111	G114 E116 L120 K121 N124	G114-D118 PolarHBondContact O-N 2.96Å; E116-D118 VanDerWaalsContact C-N 3.31Å; E116-D118 PolarHBondContact O-N 2.94Å; D118-L120 VanDerWaalsContact C-N 3.29Å; D118-L120 PolarHBondContact O-N 3.02Å; D118-K121 WeakPolarHBondContact O-CB 3.33Å; D118-K121 PolarHBondContact O-N 3.35Å; D118-K121 VanDerWaalsContact OD1-CE 3.25Å; D118-K121 WeakPolarHBondContact OD1-CE 3.45Å; D118-K121 IonicContact OD1-NZ 3.59Å; D118-K121 PolarHBondContact OD1-NZ 3.44Å; D118-N124 PolarHBondContact O-ND2 2.96Å
119	Y	86	Confident	81.3	Confident	40 Å²	40	61.8 Å²	61.8	16%	0.157	31%	0.31	C	S	.	.	H	α-helix	trans	-59.8	-39.8	176	-174.2	-82.3	0	0	0	112.7	L51 P52 A115 E116 N117 N124 L128	L51-Y119 HydrophobicContact CB-CD1 4.18Å; L51-Y119 HydrophobicContact CB-CD2 4.28Å; L51-Y119 HydrophobicContact CB-CE1 3.94Å; L51-Y119 HydrophobicContact CB-CE2 4Å; L51-Y119 HydrophobicContact CB-CG 4.35Å; L51-Y119 HydrophobicContact CD1-CD1 3.92Å; L51-Y119 HydrophobicContact CD1-CD2 3.99Å; L51-Y119 HydrophobicContact CD1-CG 3.63Å; L51-Y119 HydrophobicContact CD2-CD1 3.86Å; L51-Y119 HydrophobicContact CD2-CE1 4.1Å; L51-Y119 HydrophobicContact CD2-CG 4.44Å; L51-Y119 HydrophobicContact CG-CD1 4.2Å; L51-Y119 HydrophobicContact CG-CE1 4.4Å; L51-Y119 HydrophobicContact CG-CG 4.36Å; P52-Y119 VanDerWaalsContact C-OH 3.26Å; P52-Y119 VanDerWaalsContact CA-OH 3.26Å; P52-Y119 WeakPolarHBondContact CA-OH 3.27Å; P52-Y119 WeakPolarHBondContact CB-OH 3.36Å; P52-Y119 WeakPolarHBondContact CD-OH 3.31Å; P52-Y119 HydrophobicContact CG-CE1 4.4Å; P52-Y119 WeakPolarHBondContact CG-OH 3.21Å; P52-Y119 PolarHBondContact O-OH 3.45Å; A115-Y119 WeakPolarHBondContact O-CB 3.48Å; A115-Y119 PolarHBondContact O-N 3.43Å; E116-Y119 WeakPolarHBondContact O-CB 3.48Å; E116-Y119 PolarHBondContact O-N 3.29Å; N117-Y119 VanDerWaalsContact C-N 3.31Å; N117-Y119 PolarHBondContact O-N 3.49Å; Y119-N124 WeakPolarHBondContact O-CB 3.4Å; Y119-L128 HydrophobicContact CD1-CD1 4.14Å; Y119-L128 HydrophobicContact CD2-CD1 4.36Å; Y119-L128 HydrophobicContact CE1-CD1 3.55Å; Y119-L128 HydrophobicContact CE1-CD2 4.34Å; Y119-L128 HydrophobicContact CE2-CD1 3.84Å; Y119-L128 HydrophobicContact CE2-CD2 4.24Å; Y119-L128 HydrophobicContact CG-CD1 4.5Å; Y119-L128 WeakPolarHBondContact OH-CD2 3.45Å
120	L	83.7	Confident	79.3	Confident	87 Å²	87	66.9 Å²	66.9	46%	0.455	34%	0.343	S	S	.	.	H	α-helix	trans	-81.4	-8.3	-178.5	-64.4	175.3	0	0	0	114.2	E116 N117 D118 A122 I125	E116-L120 HydrophobicContact CG-CD1 3.98Å; E116-L120 VanDerWaalsContact O-CG 3.32Å; E116-L120 WeakPolarHBondContact O-CG 3.27Å; E116-L120 PolarHBondContact O-N 3.44Å; N117-L120 CarbonylContact O-C 3.55Å; N117-L120 PolarHBondContact O-N 3.22Å; N117-L120 VanDerWaalsContact O-N 3.14Å; D118-L120 VanDerWaalsContact C-N 3.29Å; D118-L120 PolarHBondContact O-N 3.02Å; L120-A122 PolarHBondContact O-N 3.26Å; L120-I125 WeakPolarHBondContact O-CD1 3.3Å
121	K	83.2	Confident	76.9	Confident	84 Å²	84	70.6 Å²	70.6	37%	0.365	37%	0.365	S	S	.	.	S	Bend	trans	-54.8	136.2	173.7	-75.6	172	178.6	164	0	110	D21 N117 D118 S123 N124 I125	D21-K121 IonicContact OD2-NZ 2.8Å; N117-K121 WeakPolarHBondContact O-CG 3.31Å; N117-K121 PolarHBondContact O-N 2.83Å; D118-K121 WeakPolarHBondContact O-CB 3.33Å; D118-K121 PolarHBondContact O-N 3.35Å; D118-K121 VanDerWaalsContact OD1-CE 3.25Å; D118-K121 WeakPolarHBondContact OD1-CE 3.45Å; D118-K121 IonicContact OD1-NZ 3.59Å; D118-K121 PolarHBondContact OD1-NZ 3.44Å; K121-S123 PolarHBondContact O-N 3.44Å; K121-N124 WeakPolarHBondContact O-CA 3.43Å; K121-N124 WeakPolarHBondContact O-CB 3.44Å; K121-N124 PolarHBondContact O-N 3.31Å; K121-I125 PolarHBondContact O-N 2.96Å; K121-I125 VanDerWaalsContact O-N 3.1Å
122	A	61.6	Low	73.9	Confident	70 Å²	70	76.7 Å²	76.7	58%	0.579	40%	0.402	S	S	*	.	H	α-helix	trans	-54.6	-31.9	-175.5	0	0	0	0	0	113.8	L120 N124 I125 R126	L120-A122 PolarHBondContact O-N 3.26Å; A122-N124 VanDerWaalsContact C-N 3.27Å; A122-N124 PolarHBondContact O-N 2.92Å; A122-I125 PolarHBondContact O-N 3.1Å; A122-R126 PolarHBondContact O-N 2.98Å; A122-R126 VanDerWaalsContact O-N 3.13Å
123	S	67	Low	71.4	Confident	73 Å²	73	79.7 Å²	79.7	51%	0.51	43%	0.426	S	S	.	.	H	α-helix	trans	-61.2	-34.9	173.8	54.6	0	0	0	0	112.8	K121	K121-S123 PolarHBondContact O-N 3.44Å
124	N	65.8	Low	69	Low	45 Å²	45	83 Å²	83	24%	0.241	45%	0.452	C	S	.	.	H	α-helix	trans	-82	-32.6	175.8	-70.9	-24.8	0	0	0	111.7	D118 Y119 K121 A122 R126 K127 L128	D118-N124 PolarHBondContact O-ND2 2.96Å; Y119-N124 WeakPolarHBondContact O-CB 3.4Å; K121-N124 WeakPolarHBondContact O-CA 3.43Å; K121-N124 WeakPolarHBondContact O-CB 3.44Å; K121-N124 PolarHBondContact O-N 3.31Å; A122-N124 VanDerWaalsContact C-N 3.27Å; A122-N124 PolarHBondContact O-N 2.92Å; N124-R126 VanDerWaalsContact C-N 3.31Å; N124-R126 PolarHBondContact O-N 2.86Å; N124-K127 CarbonylContact O-C 3.57Å; N124-K127 WeakPolarHBondContact O-CA 2.92Å; N124-K127 WeakPolarHBondContact O-CB 3Å; N124-K127 PolarHBondContact O-N 3.29Å; N124-L128 WeakPolarHBondContact O-CB 3.26Å; N124-L128 WeakPolarHBondContact O-CD1 3.19Å; N124-L128 PolarHBondContact O-N 2.92Å
125	I	62.8	Low	66.6	Low	83 Å²	83	88.9 Å²	88.9	43%	0.426	48%	0.479	S	S	.	.	H	α-helix	trans	-58.6	-41.6	172.8	-61.8	179	0	0	0	111.5	L120 K121 A122 K127 L128 F129	L120-I125 WeakPolarHBondContact O-CD1 3.3Å; K121-I125 PolarHBondContact O-N 2.96Å; K121-I125 VanDerWaalsContact O-N 3.1Å; A122-I125 PolarHBondContact O-N 3.1Å; I125-K127 VanDerWaalsContact C-N 3.28Å; I125-K127 PolarHBondContact O-N 2.89Å; I125-L128 WeakPolarHBondContact O-CA 3.08Å; I125-L128 WeakPolarHBondContact O-CB 3.37Å; I125-L128 PolarHBondContact O-N 3.02Å; I125-F129 PolarHBondContact O-N 3.13Å
126	R	63	Low	64.2	Low	171 Å²	171	92.8 Å²	92.8	65%	0.645	51%	0.506	S	S	*	.	H	α-helix	trans	-60.9	-35.5	174.6	-67.7	-178.4	-174.4	-165.1	0.7	112.8	A122 N124 L128 F129	A122-R126 PolarHBondContact O-N 2.98Å; A122-R126 VanDerWaalsContact O-N 3.13Å; N124-R126 VanDerWaalsContact C-N 3.31Å; N124-R126 PolarHBondContact O-N 2.86Å; R126-L128 VanDerWaalsContact C-N 3.32Å; R126-F129 CarbonylContact O-C 3.52Å
127	K	63	Low	62.1	Low	154 Å²	154	98.2 Å²	98.2	67%	0.67	54%	0.536	S	S	*	.	H	α-helix	trans	-73.2	-28.2	173.1	-64.1	174.9	-175.3	169.1	0	111.9	N124 I125	N124-K127 CarbonylContact O-C 3.57Å; N124-K127 WeakPolarHBondContact O-CA 2.92Å; N124-K127 WeakPolarHBondContact O-CB 3Å; N124-K127 PolarHBondContact O-N 3.29Å; I125-K127 VanDerWaalsContact C-N 3.28Å; I125-K127 PolarHBondContact O-N 2.89Å
128	L	64.2	Low	60.1	Low	19 Å²	19	100.7 Å²	100.7	10%	0.099	55%	0.549	C	S	.	.	H	α-helix	trans	-79.7	-36.7	-176.8	-91.2	145.4	0	0	0	113.2	P52 R53 Y119 N124 I125 R126	P52-L128 HydrophobicContact CB-CD2 4.11Å; R53-L128 VanDerWaalsContact NH2-CA 3.3Å; R53-L128 VanDerWaalsContact NH2-CD2 3.35Å; R53-L128 PolarHBondContact NH2-O 2.57Å; Y119-L128 HydrophobicContact CD1-CD1 4.14Å; Y119-L128 HydrophobicContact CD2-CD1 4.36Å; Y119-L128 HydrophobicContact CE1-CD1 3.55Å; Y119-L128 HydrophobicContact CE1-CD2 4.34Å; Y119-L128 HydrophobicContact CE2-CD1 3.84Å; Y119-L128 HydrophobicContact CE2-CD2 4.24Å; Y119-L128 HydrophobicContact CG-CD1 4.5Å; Y119-L128 WeakPolarHBondContact OH-CD2 3.45Å; N124-L128 WeakPolarHBondContact O-CB 3.26Å; N124-L128 WeakPolarHBondContact O-CD1 3.19Å; N124-L128 PolarHBondContact O-N 2.92Å; I125-L128 WeakPolarHBondContact O-CA 3.08Å; I125-L128 WeakPolarHBondContact O-CB 3.37Å; I125-L128 PolarHBondContact O-N 3.02Å; R126-L128 VanDerWaalsContact C-N 3.32Å
129	F	62.1	Low	58.3	Low	129 Å²	129	108.1 Å²	108.1	57%	0.566	58%	0.582	S	S	*	*			trans	-134.7	91.4	177.2	-60.3	-82.5	0	0	0	109.6	I125 R126 L131	I125-F129 PolarHBondContact O-N 3.13Å; R126-F129 CarbonylContact O-C 3.52Å; F129-L131 PolarHBondContact O-N 3.12Å
130	P	56.6	Low	56.4	Low	107 Å²	107	115.7 Å²	115.7	70%	0.695	62%	0.619	S	S	*	*			trans	-69.5	20.9	-178.3	-20.3	33.2	0	0	0	115.6
131	L	45.8	Very low	54.6	Low	144 Å²	144	120.6 Å²	120.6	75%	0.754	64%	0.64	S	S	*	*			trans	-108.6	119.6	-166.9	-58.9	-179.3	0	0	0	111.6	F129	F129-L131 PolarHBondContact O-N 3.12Å
132	T	36.4	Very low	52.6	Low	128 Å²	128	121.2 Å²	121.2	79%	0.785	66%	0.655	S	S	*	*			trans	71.4	76.2	170.2	68.4	0	0	0	0	116.4	T134	T132-T134 VanDerWaalsContact C-N 3.32Å; T132-T134 PolarHBondContact O-N 3.3Å
133	S	42.9	Very low	51.8	Low	95 Å²	95	126.1 Å²	126.1	66%	0.664	67%	0.666	S	S	*	*			trans	-79.2	86.1	153.1	-44.1	0	0	0	0	108	N135	S133-N135 PolarHBondContact O-N 3.2Å
134	T	45.3	Very low	50.7	Low	120 Å²	120	129.2 Å²	129.2	74%	0.736	68%	0.682	S	S	*	*			trans	-82.9	99.9	151.1	45.5	0	0	0	0	104.9	T132 S136	T132-T134 VanDerWaalsContact C-N 3.32Å; T132-T134 PolarHBondContact O-N 3.3Å; T134-S136 VanDerWaalsContact C-N 3.28Å; T134-S136 PolarHBondContact O-N 2.85Å
135	N	43.6	Very low	49.5	Very low	139 Å²	139	134.7 Å²	134.7	74%	0.743	71%	0.711	S	S	*	*			trans	-72.3	92.7	168.2	-69.4	-22	0	0	0	106.1	S133	S133-N135 PolarHBondContact O-N 3.2Å
136	S	43.6	Very low	49	Very low	95 Å²	95	135.7 Å²	135.7	66%	0.664	73%	0.732	S	S	*	*			trans	-88.9	107.4	148.5	50.3	0	0	0	0	104.8	T134	T134-S136 VanDerWaalsContact C-N 3.28Å; T134-S136 PolarHBondContact O-N 2.85Å
137	D	49	Very low	48.4	Very low	144 Å²	144	136.9 Å²	136.9	77%	0.77	74%	0.744	S	S	*	*			trans	-174.4	108.1	151	-78.7	-27	0	0	0	105.9
138	D	48.1	Very low	47.6	Very low	149 Å²	149	136.9 Å²	136.9	80%	0.797	75%	0.752	S	S	*	*			trans	71.3	82.4	148.9	-45.6	-34.6	0	0	0	120.3
139	E	51.7	Low	46.8	Very low	194 Å²	194	144.5 Å²	144.5	91%	0.907	79%	0.787	S	S	*	*			trans	-135	109.1	137	-72.7	-158.4	175.3	0	0	110.1	E141	E139-E141 PolarHBondContact O-N 3.29Å
140	E	45.4	Very low	46.4	Very low	200 Å²	200	145.4 Å²	145.4	94%	0.935	80%	0.796	S	S	*	*			trans	-69.8	113.3	162.4	-77.6	-178.6	142.7	0	0	108.9
141	E	46.3	Very low	46.1	Very low	190 Å²	190	145.1 Å²	145.1	89%	0.888	80%	0.797	S	S	*	*			trans	-146.5	144.1	152.5	-139.6	172.3	-164.8	0	0	111.9	E139	E139-E141 PolarHBondContact O-N 3.29Å
142	S	40	Very low	46.4	Very low	97 Å²	97	145.6 Å²	145.6	68%	0.678	80%	0.8	S	S	*	*			trans	-77.6	147.7	-156.2	52	0	0	0	0	116.6
143	Q	45.4	Very low	47.2	Very low	173 Å²	173	144.6 Å²	144.6	81%	0.808	80%	0.796	S	S	*	*			trans	56.4	121	144.5	-74.4	177.1	-24.1	0	0	119.3
144	T	44.7	Very low	47.5	Very low	138 Å²	138	145.4 Å²	145.4	85%	0.847	80%	0.801	S	S	*	*				-178.1	142.8	102.4	31.2	0	0	0	0	111.3
145	D	39.2	Very low	47.9	Very low	160 Å²	160	144.4 Å²	144.4	86%	0.856	80%	0.799	S	S	*	*			trans	-73.2	143	-175.3	-45.5	-77.2	0	0	0	112.9
146	A	52	Low	48.4	Very low	104 Å²	104	145.8 Å²	145.8	86%	0.86	80%	0.801	S	S	*	*			trans	-173	126.5	144.2	0	0	0	0	0	111.8
147	E	51.4	Low	48.6	Very low	195 Å²	195	147.7 Å²	147.7	91%	0.911	81%	0.809	S	S	*	*			trans	-77	143.1	-178.2	-55.7	158.5	138.8	0	0	111.7
148	N	47	Very low	48.4	Very low	155 Å²	155	145.6 Å²	145.6	83%	0.829	81%	0.812	S	S	*	*			trans	-165.7	114.3	133.9	-143.2	9.4	0	0	0	111.7
149	E	45.6	Very low	48.7	Very low	179 Å²	179	143.2 Å²	143.2	84%	0.836	81%	0.812	S	S	*	*			trans	-68.3	155.7	157.4	-73.4	-177.3	121.6	0	0	110.2
150	I	55.3	Low	48.7	Very low	147 Å²	147	138.8 Å²	138.8	75%	0.754	80%	0.803	S	S	*	*			trans	177.8	108.9	137.3	-88.7	152.8	0	0	0	109.8
151	S	50.6	Low	49.5	Very low	102 Å²	102	137.2 Å²	137.2	71%	0.713	80%	0.801	S	S	*	*			trans	44.7	121.3	141.2	68.7	0	0	0	0	124.1
152	D	50.7	Low	49.9	Very low	153 Å²	153	136 Å²	136	82%	0.818	80%	0.8	S	S	*	*			trans	-18.6	174.4	133.8	-77.5	-29.3	0	0	0	119.1
153	P	53.4	Low	50.6	Low	107 Å²	107	134.8 Å²	134.8	70%	0.695	80%	0.803	S	S	*	*			cis	-142.3	-173.6	-38.2	39.7	-21.4	0	0	0	113.5
154	S	48.4	Very low	50.8	Low	112 Å²	112	135.9 Å²	135.9	78%	0.783	81%	0.806	S	S	*	*			trans	88.4	117.1	153.4	78.5	0	0	0	0	121
155	S	53.7	Low	50.8	Low	99 Å²	99	137.4 Å²	137.4	69%	0.692	81%	0.807	S	S	*	*				176.1	120.9	129	65.4	0	0	0	0	109.7
156	H	54.7	Low	51.7	Low	169 Å²	169	135.6 Å²	135.6	78%	0.782	80%	0.804	S	S	*	*				51.1	130.9	109.7	-57.8	-66.1	0	0	0	114.4
157	T	47.6	Very low	51.8	Low	135 Å²	135	138.9 Å²	138.9	83%	0.828	80%	0.802	S	S	*	*			cis	-178.7	166.6	27.5	12.5	0	0	0	0	108.5
158	A	45.9	Very low	51.4	Low	100 Å²	100	135.6 Å²	135.6	83%	0.826	80%	0.796	S	S	*	*			trans	-53.1	154	-176.8	0	0	0	0	0	118.6
159	A	53.1	Low	51.3	Low	98 Å²	98	134.6 Å²	134.6	81%	0.81	80%	0.795	S	S	*	*			trans	-165.6	124.8	139	0	0	0	0	0	112
160	S	53.3	Low	51.4	Low	102 Å²	102	132.5 Å²	132.5	71%	0.713	79%	0.794	S	S	*	*			trans	-55.2	148.8	167	-64.3	0	0	0	0	112.8
161	N	61.4	Low	50.7	Low	166 Å²	166	133.3 Å²	133.3	89%	0.888	79%	0.794	S	S	*	*			trans	-148.6	109.2	148	-82.5	-41.4	0	0	0	110.2
162	D	55.6	Low	50.8	Low	164 Å²	164	132.7 Å²	132.7	88%	0.877	80%	0.795	S	S	*	*			trans	-74	135.1	166.4	-59.2	-57.4	0	0	0	109.7
163	G	53.5	Low	50.6	Low	72 Å²	72	129.2 Å²	129.2	74%	0.742	78%	0.783	S	S	*	*			trans	-170.3	76.2	-175.6	0	0	0	0	0	115.8
164	K	49.2	Very low	50.8	Low	197 Å²	197	128.9 Å²	128.9	86%	0.857	78%	0.781	S	S	*	*			trans	53	106.2	135.1	-164.8	162.9	-177.3	179.5	0	118.8	P166	K164-P166 WeakPolarHBondContact O-CD 3.27Å
165	L	46	Very low	51.2	Low	169 Å²	169	128.9 Å²	128.9	89%	0.885	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-60.7	128.4	157.6	-97.2	89.9	0	0	0	110.6
166	P	57	Low	51.5	Low	122 Å²	122	133.5 Å²	133.5	79%	0.792	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-96.1	148.5	157	32.6	-26.3	0	0	0	112	K164	K164-P166 WeakPolarHBondContact O-CD 3.27Å
167	E	55	Low	51.8	Low	174 Å²	174	131.4 Å²	131.4	81%	0.813	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-65.1	146.6	-169.7	-65.4	168.2	136.2	0	0	115.1
168	T	42.9	Very low	52.3	Low	126 Å²	126	131.4 Å²	131.4	77%	0.773	76%	0.761	S	S	*	*			trans	31	93.8	142.3	63.8	0	0	0	0	117.8
169	V	44.5	Very low	53.1	Low	133 Å²	133	130.6 Å²	130.6	81%	0.806	75%	0.745	S	S	*	*			trans	-94.3	103.3	152.5	175.6	0	0	0	0	107.8	Q171	V169-Q171 VanDerWaalsContact C-N 3.35Å; V169-Q171 PolarHBondContact O-N 2.98Å
170	V	47.4	Very low	53.6	Low	136 Å²	136	131.9 Å²	131.9	82%	0.824	73%	0.733	S	S	*	*			trans	-63.8	97.5	165.9	176.8	0	0	0	0	107.2	A172	V170-A172 PolarHBondContact O-N 2.67Å; V170-A172 VanDerWaalsContact O-N 3.17Å
171	Q	40.6	Very low	54.5	Low	163 Å²	163	132.1 Å²	132.1	76%	0.762	73%	0.725	S	S	*	*			trans	-74	106.3	-179.9	-167.5	170.4	-42.8	0	0	109	V169 S173	V169-Q171 VanDerWaalsContact C-N 3.35Å; V169-Q171 PolarHBondContact O-N 2.98Å; Q171-S173 PolarHBondContact O-N 3.36Å
172	A	52	Low	55	Low	89 Å²	89	127.1 Å²	127.1	74%	0.736	70%	0.703	S	S	*	*			trans	-56.3	124	171.9	0	0	0	0	0	109.8	V170 P174	V170-A172 PolarHBondContact O-N 2.67Å; V170-A172 VanDerWaalsContact O-N 3.17Å; A172-P174 WeakPolarHBondContact O-CD 3.3Å
173	S	47.1	Very low	56.1	Low	80 Å²	80	123.7 Å²	123.7	56%	0.559	68%	0.684	S	S	*	*			trans	-71.9	121.8	-179.5	178.3	0	0	0	0	110.7	Q171 N175	Q171-S173 PolarHBondContact O-N 3.36Å; S173-N175 PolarHBondContact O-N 2.71Å; S173-N175 VanDerWaalsContact O-N 3.1Å
174	P	58.3	Low	57.3	Low	100 Å²	100	124.9 Å²	124.9	65%	0.649	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-0.6	179.4	25.9	-31.7	0	0	0	114.2	A172 R176	A172-P174 WeakPolarHBondContact O-CD 3.3Å; P174-R176 VanDerWaalsContact C-N 3.32Å; P174-R176 PolarHBondContact O-N 2.78Å
175	N	56.6	Low	58.8	Low	113 Å²	113	117.2 Å²	117.2	60%	0.604	65%	0.653	S	S	*	*	H	α-helix	trans	-77.3	-12.8	-173.6	-62.1	-7.9	0	0	0	114.1	S173 V179	S173-N175 PolarHBondContact O-N 2.71Å; S173-N175 VanDerWaalsContact O-N 3.1Å; N175-V179 VanDerWaalsContact O-CG2 3.26Å; N175-V179 WeakPolarHBondContact O-CG2 3.4Å
176	R	60.4	Low	60.3	Low	196 Å²	196	116 Å²	116	74%	0.74	64%	0.641	S	S	*	*	H	α-helix	trans	-72.2	-43.6	178.8	-98.7	-176.8	162.2	-170.2	-4.3	112.2	P174 M178 V179 F180	P174-R176 VanDerWaalsContact C-N 3.32Å; P174-R176 PolarHBondContact O-N 2.78Å; R176-M178 PolarHBondContact O-N 3.34Å; R176-V179 PolarHBondContact O-N 3.02Å; R176-F180 HydrophobicContact CB-CD2 4.39Å; R176-F180 HydrophobicContact CB-CE2 4.42Å; R176-F180 HydrophobicContact CG-CE2 4.37Å; R176-F180 WeakPolarHBondContact O-CD2 3.39Å; R176-F180 PolarHBondContact O-N 3.49Å
177	L	59.9	Low	61.7	Low	125 Å²	125	114.7 Å²	114.7	65%	0.654	63%	0.627	S	S	*	*	H	α-helix	trans	-66.7	-41.7	-172.8	-168.4	66.3	0	0	0	111.7	F180 I181	L177-F180 PolarHBondContact O-N 2.84Å; L177-I181 HydrophobicContact CG-CD1 4.08Å; L177-I181 VanDerWaalsContact O-CG1 3.28Å; L177-I181 WeakPolarHBondContact O-CG1 3.16Å; L177-I181 PolarHBondContact O-N 3.37Å
178	M	59.7	Low	63	Low	134 Å²	134	109.1 Å²	109.1	66%	0.66	61%	0.611	S	S	*	*	H	α-helix	trans	-58.8	-46.9	173.8	-91	-83.1	-177.8	0	0	111.9	R176 F180 I181 S182	R176-M178 PolarHBondContact O-N 3.34Å; M178-F180 PolarHBondContact O-N 3.21Å; M178-I181 PolarHBondContact O-N 3.43Å; M178-S182 PolarHBondContact O-N 3.12Å; M178-S182 PolarHBondContact O-OG 2.95Å; M178-S182 VanDerWaalsContact O-OG 3.12Å
179	V	61.4	Low	64.9	Low	83 Å²	83	107.8 Å²	107.8	50%	0.503	60%	0.602	S	S	.	*	H	α-helix	trans	-64.8	-38.7	178.8	175.2	0	0	0	0	111.8	N175 R176 S182 I183	N175-V179 VanDerWaalsContact O-CG2 3.26Å; N175-V179 WeakPolarHBondContact O-CG2 3.4Å; R176-V179 PolarHBondContact O-N 3.02Å; V179-S182 PolarHBondContact O-N 3.48Å; V179-I183 HydrophobicContact CG1-CD1 3.7Å; V179-I183 HydrophobicContact CG1-CG1 4.38Å; V179-I183 VanDerWaalsContact O-CG1 3.27Å; V179-I183 WeakPolarHBondContact O-CG1 3.45Å; V179-I183 PolarHBondContact O-N 3.46Å
180	F	64.1	Low	66.7	Low	125 Å²	125	104 Å²	104	55%	0.548	58%	0.581	S	S	.	*	H	α-helix	trans	-64	-41	174.5	-84.4	-71.9	0	0	0	112.1	R176 L177 M178 I183 V184	R176-F180 HydrophobicContact CB-CD2 4.39Å; R176-F180 HydrophobicContact CB-CE2 4.42Å; R176-F180 HydrophobicContact CG-CE2 4.37Å; R176-F180 WeakPolarHBondContact O-CD2 3.39Å; R176-F180 PolarHBondContact O-N 3.49Å; L177-F180 PolarHBondContact O-N 2.84Å; M178-F180 PolarHBondContact O-N 3.21Å; F180-I183 PolarHBondContact O-N 2.9Å; F180-V184 WeakPolarHBondContact O-CB 3.25Å; F180-V184 VanDerWaalsContact O-CG2 3.23Å; F180-V184 WeakPolarHBondContact O-CG2 3.45Å; F180-V184 PolarHBondContact O-N 2.89Å
181	I	71.8	Confident	68.4	Low	108 Å²	108	104 Å²	104	55%	0.554	57%	0.574	S	S	*	*	H	α-helix	trans	-65.3	-44.3	177.4	-67.2	165.3	0	0	0	110.6	L177 M178 I183 V184 G185	L177-I181 HydrophobicContact CG-CD1 4.08Å; L177-I181 VanDerWaalsContact O-CG1 3.28Å; L177-I181 WeakPolarHBondContact O-CG1 3.16Å; L177-I181 PolarHBondContact O-N 3.37Å; M178-I181 PolarHBondContact O-N 3.43Å; I181-I183 PolarHBondContact O-N 3.45Å; I181-V184 PolarHBondContact O-N 3.45Å; I181-G185 PolarHBondContact O-N 2.95Å
182	S	72.4	Confident	70.4	Confident	61 Å²	61	104.6 Å²	104.6	43%	0.427	57%	0.57	S	S	.	*	H	α-helix	trans	-64.1	-40.3	178	-54.9	0	0	0	0	112.8	M178 V179 F186	M178-S182 PolarHBondContact O-N 3.12Å; M178-S182 PolarHBondContact O-OG 2.95Å; M178-S182 VanDerWaalsContact O-OG 3.12Å; V179-S182 PolarHBondContact O-N 3.48Å; S182-F186 VanDerWaalsContact O-CB 3.29Å; S182-F186 WeakPolarHBondContact O-CB 3.42Å; S182-F186 PolarHBondContact O-N 2.93Å
183	I	77.6	Confident	71.7	Confident	91 Å²	91	102.5 Å²	102.5	47%	0.467	55%	0.553	S	S	.	*	H	α-helix	trans	-69	-43.8	178.5	-67.3	168.4	0	0	0	111.1	V179 F180 I181 G185 F186 L187	V179-I183 HydrophobicContact CG1-CD1 3.7Å; V179-I183 HydrophobicContact CG1-CG1 4.38Å; V179-I183 VanDerWaalsContact O-CG1 3.27Å; V179-I183 WeakPolarHBondContact O-CG1 3.45Å; V179-I183 PolarHBondContact O-N 3.46Å; F180-I183 PolarHBondContact O-N 2.9Å; I181-I183 PolarHBondContact O-N 3.45Å; I183-G185 VanDerWaalsContact C-N 3.35Å; I183-F186 PolarHBondContact O-N 2.93Å; I183-L187 HydrophobicContact CG2-CD1 3.96Å; I183-L187 HydrophobicContact CG2-CG 4.4Å; I183-L187 WeakPolarHBondContact O-CB 3.35Å; I183-L187 VanDerWaalsContact O-CG 3.3Å; I183-L187 WeakPolarHBondContact O-CG 3.46Å; I183-L187 PolarHBondContact O-N 3.34Å
184	V	79.7	Confident	73.3	Confident	98 Å²	98	103.9 Å²	103.9	59%	0.594	55%	0.549	S	S	*	.	H	α-helix	trans	-64.9	-41.6	178	173.8	0	0	0	0	110.6	F180 I181 A188	F180-V184 WeakPolarHBondContact O-CB 3.25Å; F180-V184 VanDerWaalsContact O-CG2 3.23Å; F180-V184 WeakPolarHBondContact O-CG2 3.45Å; F180-V184 PolarHBondContact O-N 2.89Å; I181-V184 PolarHBondContact O-N 3.45Å; V184-A188 WeakPolarHBondContact O-CB 3.31Å; V184-A188 PolarHBondContact O-N 3.01Å
185	G	79.3	Confident	74.1	Confident	35 Å²	35	106.8 Å²	106.8	36%	0.361	55%	0.551	S	S	.	*	H	α-helix	trans	-62	-48.5	174.9	0	0	0	0	0	112.6	I181 I183 L187 A188 V189	I181-G185 PolarHBondContact O-N 2.95Å; I183-G185 VanDerWaalsContact C-N 3.35Å; G185-L187 PolarHBondContact O-N 2.74Å; G185-A188 PolarHBondContact O-N 3.45Å; G185-V189 WeakPolarHBondContact O-CG2 3.41Å; G185-V189 PolarHBondContact O-N 2.98Å
186	F	79.5	Confident	74.9	Confident	143 Å²	143	106.6 Å²	106.6	63%	0.627	55%	0.55	S	S	*	*	H	α-helix	trans	-62.2	-43.2	178.6	-167.3	-98.3	0	0	0	111.9	S182 I183 A188 V189 C190	S182-F186 VanDerWaalsContact O-CB 3.29Å; S182-F186 WeakPolarHBondContact O-CB 3.42Å; S182-F186 PolarHBondContact O-N 2.93Å; I183-F186 PolarHBondContact O-N 2.93Å; F186-A188 PolarHBondContact O-N 2.98Å; F186-V189 PolarHBondContact O-N 3.15Å; F186-C190 WeakPolarHBondContact CE1-SG 3.42Å; F186-C190 WeakPolarHBondContact O-CB 3.19Å; F186-C190 PolarHBondContact O-N 3.46Å; F186-C190 PolarHBondContact O-SG 3.17Å
187	L	85.5	Confident	75.4	Confident	95 Å²	95	103.4 Å²	103.4	50%	0.497	55%	0.545	S	S	.	.	H	α-helix	trans	-64.1	-38.5	175.9	-72.5	174.7	0	0	0	112.4	I183 G185 C190 M191	I183-L187 HydrophobicContact CG2-CD1 3.96Å; I183-L187 HydrophobicContact CG2-CG 4.4Å; I183-L187 WeakPolarHBondContact O-CB 3.35Å; I183-L187 VanDerWaalsContact O-CG 3.3Å; I183-L187 WeakPolarHBondContact O-CG 3.46Å; I183-L187 PolarHBondContact O-N 3.34Å; G185-L187 PolarHBondContact O-N 2.74Å; L187-C190 PolarHBondContact O-N 3.25Å; L187-M191 WeakPolarHBondContact O-CB 3.46Å; L187-M191 WeakPolarHBondContact O-CG 3.12Å; L187-M191 PolarHBondContact O-N 3.19Å
188	A	82.1	Confident	75.8	Confident	58 Å²	58	106.5 Å²	106.5	48%	0.479	55%	0.548	S	S	.	.	H	α-helix	trans	-63.8	-45.2	176.1	0	0	0	0	0	111.7	V184 G185 F186 M191 Y192	V184-A188 WeakPolarHBondContact O-CB 3.31Å; V184-A188 PolarHBondContact O-N 3.01Å; G185-A188 PolarHBondContact O-N 3.45Å; F186-A188 PolarHBondContact O-N 2.98Å; A188-M191 PolarHBondContact O-N 2.84Å; A188-Y192 WeakPolarHBondContact O-CB 3.32Å; A188-Y192 PolarHBondContact O-N 3.2Å
189	V	83.2	Confident	75.6	Confident	98 Å²	98	105.2 Å²	105.2	59%	0.594	55%	0.551	S	S	*	*	H	α-helix	trans	-63	-45.6	175.7	174.9	0	0	0	0	111	G185 F186 M191 Y192 A193	G185-V189 WeakPolarHBondContact O-CG2 3.41Å; G185-V189 PolarHBondContact O-N 2.98Å; F186-V189 PolarHBondContact O-N 3.15Å; V189-M191 PolarHBondContact O-N 3.35Å; V189-Y192 PolarHBondContact O-N 3.12Å; V189-A193 WeakPolarHBondContact O-CB 3.43Å; V189-A193 PolarHBondContact O-N 3.48Å
190	C	81.2	Confident	75	Confident	54 Å²	54	113.7 Å²	113.7	37%	0.365	58%	0.581	S	S	.	*	H	α-helix	trans	-59.1	-45.4	175.7	-73.2	0	0	0	0	111.8	F186 L187 A193 F194	F186-C190 WeakPolarHBondContact CE1-SG 3.42Å; F186-C190 WeakPolarHBondContact O-CB 3.19Å; F186-C190 PolarHBondContact O-N 3.46Å; F186-C190 PolarHBondContact O-SG 3.17Å; L187-C190 PolarHBondContact O-N 3.25Å; C190-A193 PolarHBondContact O-N 2.81Å; C190-F194 VanDerWaalsContact O-CB 3.31Å; C190-F194 WeakPolarHBondContact O-CB 3.26Å; C190-F194 PolarHBondContact O-N 2.85Å
191	M	83.9	Confident	75.5	Confident	136 Å²	136	113.2 Å²	113.2	67%	0.67	58%	0.583	S	S	*	*	H	α-helix	trans	-64.4	-39.5	177.7	-72.8	-72.1	170.6	0	0	112	L187 A188 V189 F194 K195	L187-M191 WeakPolarHBondContact O-CB 3.46Å; L187-M191 WeakPolarHBondContact O-CG 3.12Å; L187-M191 PolarHBondContact O-N 3.19Å; A188-M191 PolarHBondContact O-N 2.84Å; V189-M191 PolarHBondContact O-N 3.35Å; M191-F194 PolarHBondContact O-N 2.97Å; M191-K195 VanDerWaalsContact O-CB 3.27Å; M191-K195 WeakPolarHBondContact O-CB 3.28Å; M191-K195 PolarHBondContact O-N 2.84Å
192	Y	82.1	Confident	75.7	Confident	175 Å²	175	113.4 Å²	113.4	69%	0.686	59%	0.585	S	S	*	*	H	α-helix	trans	-63.8	-48.8	176.2	-176.3	-95.2	0	0	0	111.6	A188 V189 F194 K195 N196	A188-Y192 WeakPolarHBondContact O-CB 3.32Å; A188-Y192 PolarHBondContact O-N 3.2Å; V189-Y192 PolarHBondContact O-N 3.12Å; Y192-F194 VanDerWaalsContact C-N 3.35Å; Y192-F194 PolarHBondContact O-N 3.48Å; Y192-K195 PolarHBondContact O-N 3.34Å; Y192-N196 WeakPolarHBondContact O-CB 3.23Å; Y192-N196 PolarHBondContact O-N 3.1Å
193	A	80.4	Confident	75.9	Confident	44 Å²	44	116.3 Å²	116.3	36%	0.364	59%	0.593	S	S	.	*	H	α-helix	trans	-61.2	-42.8	176.7	0	0	0	0	0	111.8	V189 C190 K195 N196 M197	V189-A193 WeakPolarHBondContact O-CB 3.43Å; V189-A193 PolarHBondContact O-N 3.48Å; C190-A193 PolarHBondContact O-N 2.81Å; A193-K195 PolarHBondContact O-N 3.48Å; A193-N196 PolarHBondContact O-N 2.97Å; A193-M197 WeakPolarHBondContact O-CG 3.34Å; A193-M197 PolarHBondContact O-N 3.32Å
194	F	79.3	Confident	75.8	Confident	110 Å²	110	117.8 Å²	117.8	48%	0.482	60%	0.601	S	S	.	*	H	α-helix	trans	-65.9	-37.9	178.6	-144.9	-79.5	0	0	0	112.5	C190 M191 Y192 M197 R198	C190-F194 VanDerWaalsContact O-CB 3.31Å; C190-F194 WeakPolarHBondContact O-CB 3.26Å; C190-F194 PolarHBondContact O-N 2.85Å; M191-F194 PolarHBondContact O-N 2.97Å; Y192-F194 VanDerWaalsContact C-N 3.35Å; Y192-F194 PolarHBondContact O-N 3.48Å; F194-M197 HydrophobicContact CD2-CE 4.47Å; F194-R198 HydrophobicContact CD1-CG 4.49Å; F194-R198 PolarHBondContact O-N 3.28Å
195	K	75.9	Confident	75.6	Confident	160 Å²	160	119.1 Å²	119.1	70%	0.696	60%	0.601	S	S	*	*	H	α-helix	trans	-69.1	-38.1	176.3	-168	167.8	177.6	177.5	0	111.5	M191 Y192 A193 R198	M191-K195 VanDerWaalsContact O-CB 3.27Å; M191-K195 WeakPolarHBondContact O-CB 3.28Å; M191-K195 PolarHBondContact O-N 2.84Å; Y192-K195 PolarHBondContact O-N 3.34Å; A193-K195 PolarHBondContact O-N 3.48Å; K195-R198 PolarHBondContact O-N 2.98Å
196	N	74.2	Confident	75.3	Confident	109 Å²	109	124.7 Å²	124.7	58%	0.583	62%	0.617	S	S	*	*	H	α-helix	trans	-70	-34.6	177	-160.2	28.1	0	0	0	112.5	Y192 A193 R198 C199	Y192-N196 WeakPolarHBondContact O-CB 3.23Å; Y192-N196 PolarHBondContact O-N 3.1Å; A193-N196 PolarHBondContact O-N 2.97Å; N196-R198 VanDerWaalsContact C-N 3.33Å; N196-R198 PolarHBondContact O-N 3.28Å; N196-C199 PolarHBondContact O-N 3.17Å
197	M	70.6	Confident	75	Confident	130 Å²	130	123.4 Å²	123.4	64%	0.64	62%	0.617	S	S	*	*	H	α-helix	trans	-71	-24.2	175.1	-72.8	-169.4	-68	0	0	113.9	A193 F194 C199	A193-M197 WeakPolarHBondContact O-CG 3.34Å; A193-M197 PolarHBondContact O-N 3.32Å; F194-M197 HydrophobicContact CD2-CE 4.47Å; M197-C199 VanDerWaalsContact C-N 3.3Å
198	R	67	Low	74.2	Confident	189 Å²	189	125.5 Å²	125.5	71%	0.713	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	0.4	176	-81.2	-173.8	170.5	147.2	-1.7	114.3	F194 K195 N196	F194-R198 HydrophobicContact CD1-CG 4.49Å; F194-R198 PolarHBondContact O-N 3.28Å; K195-R198 PolarHBondContact O-N 2.98Å; N196-R198 VanDerWaalsContact C-N 3.33Å; N196-R198 PolarHBondContact O-N 3.28Å
199	C	56	Low	73.6	Confident	107 Å²	107	131.2 Å²	131.2	72%	0.723	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	16.3	-179.6	-71	0	0	0	0	114.4	N196 M197	N196-C199 PolarHBondContact O-N 3.17Å; M197-C199 VanDerWaalsContact C-N 3.3Å
200	K	48.9	Very low	72.7	Confident	262 Å²	262	134.2 Å²	134.2	100%	1.139	64%	0.642	S	S	*	*			trans	-113.3	0	163.8	-98.2	178.5	175.9	173.5	0	109.6

Retrieved 200 of 200 residues in 143.4 ms (Link to these results)

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