A0A087X707_POEFO Loading...

UBX domain protein 2A

AlphaFold DB , UniProt , Accession A0A087X707, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 235 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	40.9	Very low	241 Å²	241	152.3 Å²	152.3	100%	1.187	80%	0.804	S	S	*	*				0	104	0	179.2	175.6	-177.3	0	0	104.5
2	A	37.2	Very low	41.4	Very low	83 Å²	83	150.3 Å²	150.3	69%	0.686	81%	0.807	S	S	*	*			trans	61.6	138.7	-152.1	0	0	0	0	0	112.8
3	V	39.7	Very low	41.7	Very low	131 Å²	131	153.5 Å²	153.5	79%	0.794	82%	0.817	S	S	*	*			cis	73.6	131.6	35.1	-41.3	0	0	0	0	113.4
4	S	39.1	Very low	41.5	Very low	87 Å²	87	151.3 Å²	151.3	61%	0.608	82%	0.82	S	S	*	*			cis	-147.5	159.1	9.8	-93	0	0	0	0	113.6
5	E	44.6	Very low	42.3	Very low	135 Å²	135	155.1 Å²	155.1	63%	0.631	82%	0.818	S	S	*	*				17.7	149.8	119.6	-53.4	75.9	76.5	0	0	118.4
6	E	39.3	Very low	42.2	Very low	172 Å²	172	152.8 Å²	152.8	80%	0.804	82%	0.819	S	S	*	*			cis	-173.2	172.9	4.3	-114.1	164.3	-139.4	0	0	107.7
7	N	33.8	Very low	42.5	Very low	134 Å²	134	152.5 Å²	152.5	72%	0.717	81%	0.809	S	S	*	*			cis	-156.5	-171.5	-8.5	-163.8	70.7	0	0	0	109.1
8	E	47.3	Very low	42.9	Very low	175 Å²	175	146.9 Å²	146.9	82%	0.818	78%	0.783	S	S	*	*			trans	-107.4	166.7	171	-67.7	175.4	70.7	0	0	113.6
9	E	43.4	Very low	42.9	Very low	193 Å²	193	145.2 Å²	145.2	90%	0.902	78%	0.779	S	S	*	*				177.5	170.6	126.3	-98.4	-172.8	79.4	0	0	114.2
10	E	42.1	Very low	43.4	Very low	192 Å²	192	145.1 Å²	145.1	90%	0.897	77%	0.773	S	S	*	*			trans	-108	175.5	-165.4	-68.5	-159	96.1	0	0	117
11	V	47.3	Very low	43.9	Very low	132 Å²	132	142.2 Å²	142.2	80%	0.8	76%	0.758	S	S	*	*			trans	-84.5	163.4	169.9	-112.9	0	0	0	0	111.2
12	P	46.8	Very low	44.7	Very low	129 Å²	129	136.3 Å²	136.3	84%	0.838	73%	0.731	S	S	*	*				-149.3	-160.1	50.6	42.6	-19.7	0	0	0	116.3
13	M	45.3	Very low	45.2	Very low	191 Å²	191	137.8 Å²	137.8	94%	0.941	73%	0.726	S	S	*	*			trans	-114.1	136.4	-163.1	-163.3	179.8	-148.5	0	0	113.3
14	S	38.2	Very low	45.6	Very low	123 Å²	123	136.8 Å²	136.8	86%	0.86	72%	0.717	S	S	*	*			trans	-148.7	158.3	162.1	64.3	0	0	0	0	111.1
15	R	54.3	Low	46.1	Very low	209 Å²	209	139 Å²	139	79%	0.789	72%	0.718	S	S	*	*			trans	-128	116.5	-153.8	177.8	179.5	176	172.4	1.6	112.2	F17	R15-F17 HydrophobicContact CG-CD2 4.07Å; R15-F17 HydrophobicContact CG-CE2 4.34Å; R15-F17 VanDerWaalsContact NE-CE2 3.28Å
16	S	40.1	Very low	46.2	Very low	118 Å²	118	136.5 Å²	136.5	83%	0.825	71%	0.711	S	S	*	*			trans	-118.5	99.6	173.3	53.8	0	0	0	0	110.6	S18	S16-S18 PolarHBondContact O-N 2.89Å
17	F	47.7	Very low	46.6	Very low	148 Å²	148	135.5 Å²	135.5	65%	0.649	71%	0.706	S	S	*	*			trans	-72.8	117.3	167.2	-96.8	-113.4	0	0	0	108.4	R15 D21	R15-F17 HydrophobicContact CG-CD2 4.07Å; R15-F17 HydrophobicContact CG-CE2 4.34Å; R15-F17 VanDerWaalsContact NE-CE2 3.28Å; F17-D21 WeakPolarHBondContact CE1-OD1 3.45Å
18	S	48.8	Very low	47	Very low	51 Å²	51	136.9 Å²	136.9	36%	0.357	71%	0.706	S	S	.	*			trans	-96.1	158.5	174.7	-168.4	0	0	0	0	110.6	S16 E20 D21	S16-S18 PolarHBondContact O-N 2.89Å; S18-E20 WeakPolarHBondContact CB-OE2 3.45Å; S18-E20 PolarHBondContact O-N 3.37Å; S18-E20 PolarHBondContact OG-OE2 3.29Å; S18-D21 VanDerWaalsContact O-CB 3.32Å; S18-D21 WeakPolarHBondContact O-CB 3.44Å; S18-D21 PolarHBondContact O-N 3.14Å
19	V	44.3	Very low	46.9	Very low	115 Å²	115	135.2 Å²	135.2	70%	0.697	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-13.5	173.7	-64.9	0	0	0	0	113
20	E	52.8	Low	46.9	Very low	143 Å²	143	130.8 Å²	130.8	67%	0.668	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-41.1	172.9	-62.9	154.2	130.2	0	0	111.4	S18 L22 L23 D24	S18-E20 WeakPolarHBondContact CB-OE2 3.45Å; S18-E20 PolarHBondContact O-N 3.37Å; S18-E20 PolarHBondContact OG-OE2 3.29Å; E20-L22 PolarHBondContact O-N 3.39Å; E20-L23 PolarHBondContact O-N 3.1Å; E20-L23 VanDerWaalsContact O-N 3.1Å; E20-D24 PolarHBondContact O-N 2.8Å; E20-D24 VanDerWaalsContact O-N 3.16Å
21	D	53.2	Low	47	Very low	85 Å²	85	131.1 Å²	131.1	46%	0.455	69%	0.685	S	S	.	*	H	α-helix	trans	-60.7	-35.2	178.6	-157.2	-122.7	0	0	0	111.4	F17 S18 L23 E25	F17-D21 WeakPolarHBondContact CE1-OD1 3.45Å; S18-D21 VanDerWaalsContact O-CB 3.32Å; S18-D21 WeakPolarHBondContact O-CB 3.44Å; S18-D21 PolarHBondContact O-N 3.14Å; D21-L23 VanDerWaalsContact C-N 3.33Å; D21-L23 PolarHBondContact O-N 3.23Å; D21-E25 PolarHBondContact O-N 2.97Å
22	L	52.5	Low	46.6	Very low	117 Å²	117	132.1 Å²	132.1	61%	0.613	69%	0.686	S	S	*	*	H	α-helix	trans	-79.3	-12	179.9	-132.3	169.8	0	0	0	113.3	E20 V26	E20-L22 PolarHBondContact O-N 3.39Å; L22-V26 WeakPolarHBondContact O-CG2 3.46Å
23	L	49.7	Very low	46.5	Very low	113 Å²	113	130.2 Å²	130.2	59%	0.592	68%	0.681	S	S	*	*	H	α-helix	trans	-91.6	-38.7	170	-79.4	162.4	0	0	0	110.9	E20 D21 E25 V26 E27	E20-L23 PolarHBondContact O-N 3.1Å; E20-L23 VanDerWaalsContact O-N 3.1Å; D21-L23 VanDerWaalsContact C-N 3.33Å; D21-L23 PolarHBondContact O-N 3.23Å; L23-E25 VanDerWaalsContact C-N 3.33Å; L23-E25 PolarHBondContact O-N 2.86Å; L23-V26 PolarHBondContact O-N 3.3Å; L23-V26 VanDerWaalsContact O-N 3.1Å; L23-E27 PolarHBondContact O-N 2.74Å
24	D	46.6	Very low	46.3	Very low	110 Å²	110	126.4 Å²	126.4	59%	0.588	67%	0.673	S	S	*	*	H	α-helix	trans	-58.4	-44.8	171.1	-160.6	-88.6	0	0	0	110.7	E20 V26 E27 K28	E20-D24 PolarHBondContact O-N 2.8Å; E20-D24 VanDerWaalsContact O-N 3.16Å; D24-V26 PolarHBondContact O-N 2.75Å; D24-V26 VanDerWaalsContact O-N 3.13Å; D24-E27 PolarHBondContact O-N 3.32Å; D24-K28 WeakPolarHBondContact O-CB 3.49Å; D24-K28 PolarHBondContact O-N 2.76Å
25	E	50	Low	46.8	Very low	135 Å²	135	124 Å²	124	63%	0.631	67%	0.668	S	S	*	*	H	α-helix	trans	-62.3	-21	176.8	-164.1	171.7	91.2	0	0	113.8	D21 L23 I29	D21-E25 PolarHBondContact O-N 2.97Å; L23-E25 VanDerWaalsContact C-N 3.33Å; L23-E25 PolarHBondContact O-N 2.86Å; E25-I29 VanDerWaalsContact O-CG1 3.29Å; E25-I29 WeakPolarHBondContact O-CG1 3.45Å
26	V	47.5	Very low	46.6	Very low	81 Å²	81	117.9 Å²	117.9	49%	0.491	65%	0.654	S	S	.	*	H	α-helix	trans	-95.7	-39.3	177.4	-179	0	0	0	0	112.8	L22 L23 D24 K28 I29	L22-V26 WeakPolarHBondContact O-CG2 3.46Å; L23-V26 PolarHBondContact O-N 3.3Å; L23-V26 VanDerWaalsContact O-N 3.1Å; D24-V26 PolarHBondContact O-N 2.75Å; D24-V26 VanDerWaalsContact O-N 3.13Å; V26-K28 PolarHBondContact O-N 2.76Å; V26-I29 HydrophobicContact CG1-CD1 4.44Å; V26-I29 WeakPolarHBondContact O-CB 3.37Å; V26-I29 WeakPolarHBondContact O-CG1 3.44Å; V26-I29 PolarHBondContact O-N 2.71Å; V26-I29 VanDerWaalsContact O-N 3.15Å
27	E	46.8	Very low	47.4	Very low	151 Å²	151	115.4 Å²	115.4	71%	0.706	64%	0.637	S	S	*	*	H	α-helix	trans	-66.4	-30.2	173.1	-75.5	-166.2	55.9	0	0	111.7	L23 D24 I29 C30 Y31	L23-E27 PolarHBondContact O-N 2.74Å; D24-E27 PolarHBondContact O-N 3.32Å; E27-I29 PolarHBondContact O-N 3.22Å; E27-C30 WeakPolarHBondContact O-CB 3.46Å; E27-C30 PolarHBondContact O-N 3.39Å; E27-Y31 PolarHBondContact O-N 2.76Å
28	K	42.3	Very low	48.5	Very low	163 Å²	163	113.6 Å²	113.6	71%	0.709	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-9	172.3	-170.5	171.6	-175.3	173.6	0	114.9	D24 V26 C30	D24-K28 WeakPolarHBondContact O-CB 3.49Å; D24-K28 PolarHBondContact O-N 2.76Å; V26-K28 PolarHBondContact O-N 2.76Å; K28-C30 VanDerWaalsContact C-N 3.33Å
29	I	45	Very low	49.9	Very low	140 Å²	140	112 Å²	112	72%	0.718	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-16.5	168.6	-43.7	176.9	0	0	0	110.7	E25 V26 E27	E25-I29 VanDerWaalsContact O-CG1 3.29Å; E25-I29 WeakPolarHBondContact O-CG1 3.45Å; V26-I29 HydrophobicContact CG1-CD1 4.44Å; V26-I29 WeakPolarHBondContact O-CB 3.37Å; V26-I29 WeakPolarHBondContact O-CG1 3.44Å; V26-I29 PolarHBondContact O-N 2.71Å; V26-I29 VanDerWaalsContact O-N 3.15Å; E27-I29 PolarHBondContact O-N 3.22Å
30	C	42.6	Very low	51.7	Low	101 Å²	101	111.9 Å²	111.9	68%	0.682	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	-39.3	-165.6	-161.1	0	0	0	0	114.8	E27 K28	E27-C30 WeakPolarHBondContact O-CB 3.46Å; E27-C30 PolarHBondContact O-N 3.39Å; K28-C30 VanDerWaalsContact C-N 3.33Å
31	Y	45.5	Very low	53.2	Low	198 Å²	198	105.5 Å²	105.5	78%	0.776	58%	0.579	S	S	*	*			trans	-146.5	101.5	-174.1	-104	-96	0	0	0	113.5	E27	E27-Y31 PolarHBondContact O-N 2.76Å
32	D	38.1	Very low	54.9	Low	153 Å²	153	102.4 Å²	102.4	82%	0.818	56%	0.563	S	S	*	*				-155.9	153	99.5	-160.3	-128.4	0	0	0	111.4	S34	D32-S34 PolarHBondContact O-N 3.21Å
33	A	46.3	Very low	56.6	Low	89 Å²	89	96.9 Å²	96.9	74%	0.736	53%	0.534	S	S	*	.			trans	-79.1	109.2	-159.2	0	0	0	0	0	114.8
34	S	40.4	Very low	58.4	Low	112 Å²	112	94.6 Å²	94.6	78%	0.783	52%	0.517	S	S	*	.			trans	-80.4	123.6	136.1	-170.9	0	0	0	0	107.4	D32 T36	D32-S34 PolarHBondContact O-N 3.21Å; S34-T36 PolarHBondContact O-N 3.06Å
35	G	47.5	Very low	60.4	Low	72 Å²	72	91 Å²	91	74%	0.742	50%	0.498	S	S	*	.			trans	-73.2	94.3	-178.4	0	0	0	0	0	111.1	S37	G35-S37 PolarHBondContact O-N 3.49Å; G35-S37 VanDerWaalsContact O-N 3.16Å
36	T	50	Low	62.3	Low	80 Å²	80	85.3 Å²	85.3	49%	0.491	47%	0.471	S	S	.	.			trans	-61.1	115.5	170.6	46.4	0	0	0	0	108.9	S34 K38 E89	S34-T36 PolarHBondContact O-N 3.06Å; T36-K38 PolarHBondContact O-N 3.15Å; T36-E89 WeakPolarHBondContact CB-OE2 3.5Å; T36-E89 HydrophobicContact CG2-CG 4.06Å; T36-E89 WeakPolarHBondContact CG2-OE2 3.43Å; T36-E89 PolarHBondContact OG1-OE2 2.91Å
37	S	57.7	Low	64	Low	67 Å²	67	88 Å²	88	47%	0.469	48%	0.476	S	S	.	.			trans	-74.8	74.7	178.2	39	0	0	0	0	109.5	G35 V39 E88	G35-S37 PolarHBondContact O-N 3.49Å; G35-S37 VanDerWaalsContact O-N 3.16Å; S37-V39 VanDerWaalsContact O-CG2 3.24Å; S37-V39 WeakPolarHBondContact O-CG2 3.21Å; S37-V39 PolarHBondContact O-N 3.05Å; S37-E88 WeakPolarHBondContact CB-OE1 3.41Å; S37-E88 PolarHBondContact OG-OE1 2.87Å
38	K	70	Confident	65.7	Low	110 Å²	110	85.5 Å²	85.5	48%	0.478	47%	0.467	S	S	.	.			trans	-55	111.2	-174.7	-160.2	-169.1	-167	-158	0	110.8	T36 E89 E91	T36-K38 PolarHBondContact O-N 3.15Å; K38-E89 CarbonylContact C-O 3.58Å; K38-E89 VanDerWaalsContact CA-O 3.25Å; K38-E89 WeakPolarHBondContact CA-O 3.48Å; K38-E89 HydrophobicContact CG-CB 4.28Å; K38-E91 HydrophobicContact CD-CB 4.32Å; K38-E91 WeakPolarHBondContact CE-OE1 3.48Å; K38-E91 HydrophobicContact CG-CB 4.37Å; K38-E91 IonicContact NZ-OE1 2.73Å; K38-E91 PolarHBondContact NZ-OE1 2.79Å; K38-E91 IonicContact NZ-OE2 2.68Å; K38-E91 PolarHBondContact NZ-OE2 3.18Å
39	V	79.8	Confident	67.9	Low	18 Å²	18	77.8 Å²	77.8	11%	0.109	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	112.8	-175.1	-173.1	0	0	0	0	109.2	S37 M41 E88 E89 L90 E91	S37-V39 VanDerWaalsContact O-CG2 3.24Å; S37-V39 WeakPolarHBondContact O-CG2 3.21Å; S37-V39 PolarHBondContact O-N 3.05Å; V39-M41 HydrophobicContact CG1-CE 4.05Å; V39-M41 HydrophobicContact CG1-CG 4.44Å; V39-M41 HydrophobicContact CG1-SD 4.49Å; V39-M41 PolarHBondContact O-N 2.99Å; V39-E88 HydrophobicContact CG2-CB 3.78Å; V39-E88 VanDerWaalsContact CG2-CD 3.41Å; V39-E88 HydrophobicContact CG2-CG 4.22Å; V39-E88 VanDerWaalsContact CG2-OE2 3.22Å; V39-E88 WeakPolarHBondContact CG2-OE2 3.44Å; V39-E89 PolarHBondContact N-O 3.41Å; V39-L90 HydrophobicContact CB-CD2 3.78Å; V39-L90 HydrophobicContact CG2-CD2 4.13Å; V39-E91 PolarHBondContact O-N 3.38Å
40	E	82.6	Confident	69.9	Low	112 Å²	112	71.1 Å²	71.1	52%	0.523	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	127.2	166.6	-164.7	-179.3	47.2	0	0	109.9	V42 N53 E91	E40-V42 HydrophobicContact CG-CG2 3.71Å; E40-N53 PolarHBondContact O-ND2 2.72Å; E40-N53 PolarHBondContact O-OD1 3.33Å; E40-E91 CarbonylContact C-O 3.01Å
41	M	83.8	Confident	72	Confident	9 Å²	9	66.3 Å²	66.3	4%	0.044	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	88.6	-179.5	-78	-66.4	-170.8	0	0	108.8	V39 I52 N53 W81 L90 E91 S93	V39-M41 HydrophobicContact CG1-CE 4.05Å; V39-M41 HydrophobicContact CG1-CG 4.44Å; V39-M41 HydrophobicContact CG1-SD 4.49Å; V39-M41 PolarHBondContact O-N 2.99Å; M41-I52 HydrophobicContact SD-CG2 4.25Å; M41-N53 PolarHBondContact SD-ND2 2.92Å; M41-N53 VanDerWaalsContact SD-ND2 3.4Å; M41-W81 HydrophobicContact CB-CH2 3.74Å; M41-W81 HydrophobicContact CB-CZ2 3.71Å; M41-W81 HydrophobicContact CB-CZ3 4.31Å; M41-W81 HydrophobicContact CG-CD2 4.44Å; M41-W81 HydrophobicContact CG-CH2 4.38Å; M41-W81 HydrophobicContact CG-CZ2 3.99Å; M41-W81 HydrophobicContact SD-CZ2 3.93Å; M41-L90 HydrophobicContact CE-CD2 4.12Å; M41-L90 HydrophobicContact CG-CD2 4.47Å; M41-E91 PolarHBondContact N-O 3.35Å; M41-S93 PolarHBondContact O-N 2.86Å
42	V	87.8	Confident	74	Confident	19 Å²	19	58 Å²	58	12%	0.115	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	110.8	-175.6	-172.1	0	0	0	0	110.4	E40 R44 I52 N53 S93 E95	E40-V42 HydrophobicContact CG-CG2 3.71Å; V42-R44 HydrophobicContact CG1-CG 4.15Å; V42-I52 CarbonylContact O-C 3.49Å; V42-I52 WeakPolarHBondContact O-CA 3.33Å; V42-N53 WeakPolarHBondContact CB-OD1 3.3Å; V42-N53 PolarHBondContact N-OD1 3.43Å; V42-N53 PolarHBondContact O-N 3.21Å; V42-S93 CarbonylContact C-O 3.29Å; V42-S93 WeakPolarHBondContact CA-O 3.46Å; V42-E95 HydrophobicContact CG1-CG 4.3Å; V42-E95 WeakPolarHBondContact CG1-OE2 3.36Å
43	V	88.1	Confident	75.9	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	109.8	176.7	-174	0	0	0	0	109.4	L45 F50 T51 I52 F68 I72 W81 S93 V94 E95	V43-L45 HydrophobicContact CG1-CD1 4.17Å; V43-F50 HydrophobicContact CG1-CB 4.43Å; V43-F50 HydrophobicContact CG1-CD2 3.96Å; V43-F50 HydrophobicContact CG1-CG 4.5Å; V43-T51 WeakPolarHBondContact CA-O 3.39Å; V43-I52 HydrophobicContact CG2-CG1 4.47Å; V43-F68 HydrophobicContact CG1-CE1 4.46Å; V43-F68 HydrophobicContact CG2-CE1 4.42Å; V43-F68 HydrophobicContact CG2-CZ 4.47Å; V43-I72 HydrophobicContact CG2-CD1 4.03Å; V43-W81 HydrophobicContact CG2-CH2 3.53Å; V43-W81 HydrophobicContact CG2-CZ2 3.99Å; V43-S93 PolarHBondContact N-O 3.05Å; V43-V94 WeakPolarHBondContact O-CA 3.45Å; V43-E95 PolarHBondContact O-N 3.08Å
44	R	88.8	Confident	77	Confident	65 Å²	65	53.6 Å²	53.6	25%	0.245	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.3	178.9	-56.6	-177	166	-141.1	-19.1	109.9	V42 W46 F50 T51 E95 M97	V42-R44 HydrophobicContact CG1-CG 4.15Å; R44-W46 HydrophobicContact CB-CZ2 4.04Å; R44-W46 PolarHBondContact O-NE1 3.23Å; R44-F50 CarbonylContact O-C 3.59Å; R44-F50 WeakPolarHBondContact O-CA 3.05Å; R44-F50 VanDerWaalsContact O-CB 3.23Å; R44-F50 WeakPolarHBondContact O-CB 3.22Å; R44-T51 PolarHBondContact N-O 3.06Å; R44-T51 PolarHBondContact O-N 3.08Å; R44-E95 CarbonylContact C-O 3.53Å; R44-E95 WeakPolarHBondContact CA-O 3.49Å; R44-E95 HydrophobicContact CG-CB 4.19Å; R44-E95 WeakPolarHBondContact CG-OE2 3.5Å; R44-E95 IonicContact CZ-OE1 2.66Å; R44-E95 IonicContact CZ-OE2 2.69Å; R44-E95 IonicContact NE-OE2 4Å; R44-E95 PolarHBondContact NE-OE2 2.9Å; R44-E95 VanDerWaalsContact NH2-CD 3.28Å; R44-E95 IonicContact NH2-OE1 3.04Å; R44-E95 PolarHBondContact NH2-OE1 2.89Å; R44-E95 IonicContact NH2-OE2 2.7Å; R44-E95 PolarHBondContact NH2-OE2 3.1Å; R44-M97 HydrophobicContact CB-SD 4.33Å; R44-M97 HydrophobicContact CG-SD 4.38Å
45	L	88.3	Confident	78.6	Confident	34 Å²	34	49.6 Å²	49.6	18%	0.178	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.6	175.8	-74.8	78.7	0	0	0	109.3	V43 V94 E95 M97 T98	V43-L45 HydrophobicContact CG1-CD1 4.17Å; L45-V94 HydrophobicContact CD1-CG1 3.49Å; L45-V94 VanDerWaalsContact CD1-CG1 3.49Å; L45-E95 PolarHBondContact N-O 3.36Å; L45-M97 CarbonylContact O-C 3.57Å; L45-M97 WeakPolarHBondContact O-CA 3.46Å; L45-M97 WeakPolarHBondContact O-CB 3.27Å; L45-M97 PolarHBondContact O-N 3.03Å; L45-T98 HydrophobicContact CB-CG2 4.01Å; L45-T98 PolarHBondContact O-N 3.14Å; L45-T98 VanDerWaalsContact O-N 3.15Å
46	W	88.6	Confident	80.2	Confident	16 Å²	16	51.3 Å²	51.3	6%	0.061	27%	0.269	C	S	.	.			trans	-104.2	178.2	174.4	-47.1	93.9	0	0	0	110.2	R44 D48 G49 T51 F57 Y60 M97 E100 Y102	R44-W46 HydrophobicContact CB-CZ2 4.04Å; R44-W46 PolarHBondContact O-NE1 3.23Å; W46-D48 VanDerWaalsContact C-N 3.35Å; W46-D48 PolarHBondContact O-N 3.16Å; W46-G49 CarbonylContact C-O 3.57Å; W46-G49 VanDerWaalsContact CA-O 3.27Å; W46-G49 WeakPolarHBondContact CA-O 3.36Å; W46-G49 VanDerWaalsContact CB-O 3.23Å; W46-G49 WeakPolarHBondContact CB-O 3.36Å; W46-G49 PolarHBondContact N-O 2.86Å; W46-T51 PolarHBondContact NE1-OG1 2.88Å; W46-F57 HydrophobicContact CB-CE2 4.3Å; W46-F57 AromaticContact CD1-CE2 3.85Å; W46-F57 HydrophobicContact CG-CE2 4.28Å; W46-Y60 VanDerWaalsContact O-CE2 3.3Å; W46-Y60 WeakPolarHBondContact O-CE2 3.25Å; W46-Y60 PolarHBondContact O-OH 3.36Å; W46-M97 HydrophobicContact CD2-CB 4.42Å; W46-M97 HydrophobicContact CE3-CB 3.89Å; W46-M97 HydrophobicContact CE3-SD 4.48Å; W46-M97 HydrophobicContact CH2-CE 3.65Å; W46-M97 HydrophobicContact CH2-SD 3.55Å; W46-M97 VanDerWaalsContact CH2-SD 3.55Å; W46-M97 HydrophobicContact CZ2-SD 4.08Å; W46-M97 HydrophobicContact CZ3-CB 4.03Å; W46-M97 HydrophobicContact CZ3-CE 3.54Å; W46-M97 HydrophobicContact CZ3-SD 3.79Å; W46-E100 HydrophobicContact CE3-CB 4.22Å; W46-E100 HydrophobicContact CE3-CG 4.41Å; W46-E100 HydrophobicContact CZ3-CB 4.19Å; W46-E100 HydrophobicContact CZ3-CG 4.06Å; W46-Y102 HydrophobicContact CD2-CD2 4.08Å; W46-Y102 HydrophobicContact CD2-CG 4.46Å; W46-Y102 AromaticContact CE2-CD2 3.56Å; W46-Y102 HydrophobicContact CG-CD2 4.46Å; W46-Y102 HydrophobicContact CH2-CD2 4.4Å; W46-Y102 AromaticContact CZ2-CD2 3.76Å; W46-Y102 HydrophobicContact CZ2-CD2 3.76Å; W46-Y102 HydrophobicContact CZ2-CE2 4.36Å; W46-Y102 AromaticContact NE1-CD2 3.63Å
47	K	83.5	Confident	81.8	Confident	139 Å²	139	50.3 Å²	50.3	60%	0.604	26%	0.258	S	S	*	.	S	Bend	trans	-59.8	-34.3	179.9	-168.7	173.9	178.3	178	0	115.9	T98 E100	K47-T98 WeakPolarHBondContact CB-O 3.44Å; K47-E100 PolarHBondContact N-O 3.44Å
48	D	83.2	Confident	83.1	Confident	98 Å²	98	49.9 Å²	49.9	52%	0.524	25%	0.246	S	C	.	.	S	Bend	trans	-113.1	-15.8	-172.5	-174	-93.2	0	0	0	113.7	W46 F57 S59 Y60	W46-D48 VanDerWaalsContact C-N 3.35Å; W46-D48 PolarHBondContact O-N 3.16Å; D48-F57 HydrophobicContact CB-CZ 4.07Å; D48-S59 WeakPolarHBondContact O-CA 3.49Å; D48-S59 PolarHBondContact OD1-OG 3.38Å; D48-Y60 VanDerWaalsContact C-CE2 3.47Å; D48-Y60 WeakPolarHBondContact O-CD2 3.29Å; D48-Y60 PolarHBondContact O-N 2.81Å
49	G	87.5	Confident	83.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176	-168.6	-176.1	0	0	0	0	0	111.5	W46 R58 Y60	W46-G49 CarbonylContact C-O 3.57Å; W46-G49 VanDerWaalsContact CA-O 3.27Å; W46-G49 WeakPolarHBondContact CA-O 3.36Å; W46-G49 VanDerWaalsContact CB-O 3.23Å; W46-G49 WeakPolarHBondContact CB-O 3.36Å; W46-G49 PolarHBondContact N-O 2.86Å; G49-R58 CarbonylContact C-O 3.43Å; G49-R58 WeakPolarHBondContact CA-O 3.25Å; G49-Y60 PolarHBondContact O-OH 2.71Å
50	F	87.6	Confident	84.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	168.2	177.2	62.8	-83.7	0	0	0	112.3	V43 R44 I52 R58 Y60 N65 F68 L69	V43-F50 HydrophobicContact CG1-CB 4.43Å; V43-F50 HydrophobicContact CG1-CD2 3.96Å; V43-F50 HydrophobicContact CG1-CG 4.5Å; R44-F50 CarbonylContact O-C 3.59Å; R44-F50 WeakPolarHBondContact O-CA 3.05Å; R44-F50 VanDerWaalsContact O-CB 3.23Å; R44-F50 WeakPolarHBondContact O-CB 3.22Å; F50-I52 HydrophobicContact CD2-CG1 4.28Å; F50-I52 HydrophobicContact CE2-CD1 4.23Å; F50-I52 HydrophobicContact CE2-CG1 4.19Å; F50-R58 HydrophobicContact CD1-CB 3.99Å; F50-R58 WeakPolarHBondContact CD1-O 3.38Å; F50-R58 HydrophobicContact CD2-CB 4.12Å; F50-R58 HydrophobicContact CE1-CB 3.76Å; F50-R58 HydrophobicContact CE2-CB 3.88Å; F50-R58 VanDerWaalsContact CE2-CD 3.45Å; F50-R58 HydrophobicContact CE2-CG 4.29Å; F50-R58 HydrophobicContact CG-CB 4.18Å; F50-R58 HydrophobicContact CZ-CB 3.7Å; F50-R58 HydrophobicContact CZ-CG 4.32Å; F50-R58 PolarHBondContact N-O 3.39Å; F50-R58 PolarHBondContact O-N 3.15Å; F50-Y60 HydrophobicContact CD1-CD1 4.3Å; F50-Y60 HydrophobicContact CD1-CE1 4.03Å; F50-N65 HydrophobicContact CE1-CB 3.83Å; F50-N65 WeakPolarHBondContact CE1-O 3.34Å; F50-N65 HydrophobicContact CZ-CB 4.08Å; F50-F68 HydrophobicContact CD2-CD1 4.45Å; F50-F68 HydrophobicContact CD2-CE1 4.24Å; F50-F68 AromaticContact CE2-CD1 3.39Å; F50-F68 HydrophobicContact CE2-CD1 3.39Å; F50-F68 AromaticContact CE2-CE1 3.45Å; F50-F68 HydrophobicContact CE2-CE1 3.45Å; F50-F68 VanDerWaalsContact CE2-CE1 3.45Å; F50-F68 HydrophobicContact CE2-CG 4.34Å; F50-F68 HydrophobicContact CE2-CZ 4.42Å; F50-F68 HydrophobicContact CZ-CB 4.44Å; F50-F68 AromaticContact CZ-CD1 3.45Å; F50-F68 HydrophobicContact CZ-CD1 3.45Å; F50-F68 VanDerWaalsContact CZ-CD1 3.45Å; F50-F68 HydrophobicContact CZ-CE1 4.02Å; F50-F68 HydrophobicContact CZ-CG 4.18Å; F50-L69 HydrophobicContact CD1-CD1 3.63Å; F50-L69 HydrophobicContact CD1-CD2 3.86Å; F50-L69 HydrophobicContact CD1-CG 3.88Å; F50-L69 HydrophobicContact CD2-CD2 4.39Å; F50-L69 HydrophobicContact CE1-CD1 3.53Å; F50-L69 HydrophobicContact CE1-CD2 3.92Å; F50-L69 HydrophobicContact CE1-CG 3.52Å; F50-L69 HydrophobicContact CE2-CD2 4.47Å; F50-L69 HydrophobicContact CG-CD2 4.09Å; F50-L69 HydrophobicContact CZ-CD1 4.45Å; F50-L69 HydrophobicContact CZ-CD2 4.23Å; F50-L69 HydrophobicContact CZ-CG 3.98Å
51	T	87.3	Confident	84.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.9	170.9	50.4	0	0	0	0	111	V43 R44 W46 F57 Y102	V43-T51 WeakPolarHBondContact CA-O 3.39Å; R44-T51 PolarHBondContact N-O 3.06Å; R44-T51 PolarHBondContact O-N 3.08Å; W46-T51 PolarHBondContact NE1-OG1 2.88Å; T51-F57 HydrophobicContact CG2-CB 4.2Å; T51-F57 HydrophobicContact CG2-CD2 3.95Å; T51-Y102 HydrophobicContact CG2-CD2 3.95Å; T51-Y102 HydrophobicContact CG2-CE2 3.5Å
52	I	87	Confident	84.7	Confident	24 Å²	24	50.5 Å²	50.5	12%	0.123	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.2	175.7	-55.7	164.2	0	0	0	108.5	M41 V42 V43 F50 D54 G55 F68 W81	M41-I52 HydrophobicContact SD-CG2 4.25Å; V42-I52 CarbonylContact O-C 3.49Å; V42-I52 WeakPolarHBondContact O-CA 3.33Å; V43-I52 HydrophobicContact CG2-CG1 4.47Å; F50-I52 HydrophobicContact CD2-CG1 4.28Å; F50-I52 HydrophobicContact CE2-CD1 4.23Å; F50-I52 HydrophobicContact CE2-CG1 4.19Å; I52-D54 VanDerWaalsContact C-N 3.33Å; I52-D54 PolarHBondContact O-N 3.27Å; I52-G55 WeakPolarHBondContact O-CA 3.2Å; I52-G55 PolarHBondContact O-N 2.99Å; I52-F68 HydrophobicContact CD1-CE1 3.92Å; I52-F68 HydrophobicContact CD1-CE2 3.78Å; I52-F68 HydrophobicContact CD1-CZ 3.37Å; I52-F68 HydrophobicContact CG1-CE1 4.24Å; I52-F68 HydrophobicContact CG1-CZ 3.94Å; I52-W81 HydrophobicContact CG2-CZ2 3.8Å
53	N	78.3	Confident	84.7	Confident	67 Å²	67	54.4 Å²	54.4	36%	0.358	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	46.2	172.4	-83.2	-9.5	0	0	0	115.4	E40 M41 V42 G55	E40-N53 PolarHBondContact O-ND2 2.72Å; E40-N53 PolarHBondContact O-OD1 3.33Å; M41-N53 PolarHBondContact SD-ND2 2.92Å; M41-N53 VanDerWaalsContact SD-ND2 3.4Å; V42-N53 WeakPolarHBondContact CB-OD1 3.3Å; V42-N53 PolarHBondContact N-OD1 3.43Å; V42-N53 PolarHBondContact O-N 3.21Å; N53-G55 PolarHBondContact O-N 2.63Å; N53-G55 VanDerWaalsContact O-N 3.07Å
54	D	70.2	Confident	84.6	Confident	82 Å²	82	61.3 Å²	61.3	44%	0.439	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	14.9	-176.7	-141.1	-145.7	0	0	0	115.1	I52 K105	I52-D54 VanDerWaalsContact C-N 3.33Å; I52-D54 PolarHBondContact O-N 3.27Å; D54-K105 VanDerWaalsContact OD1-CD 3.24Å; D54-K105 WeakPolarHBondContact OD1-CD 3.49Å; D54-K105 IonicContact OD1-NZ 2.93Å; D54-K105 PolarHBondContact OD1-NZ 2.86Å; D54-K105 WeakPolarHBondContact OD2-CD 3.32Å; D54-K105 WeakPolarHBondContact OD2-CE 3.38Å; D54-K105 IonicContact OD2-NZ 3.23Å; D54-K105 PolarHBondContact OD2-NZ 3.01Å
55	G	73.6	Confident	84.6	Confident	29 Å²	29	58.9 Å²	58.9	30%	0.299	32%	0.319	S	S	.	.			trans	-78.9	-147.8	178.1	0	0	0	0	0	113.7	I52 N53	I52-G55 WeakPolarHBondContact O-CA 3.2Å; I52-G55 PolarHBondContact O-N 2.99Å; N53-G55 PolarHBondContact O-N 2.63Å; N53-G55 VanDerWaalsContact O-N 3.07Å
56	D	79.8	Confident	84.5	Confident	108 Å²	108	61.2 Å²	61.2	58%	0.578	33%	0.329	S	S	*	.			trans	-78.9	157.5	-172.9	-123.3	-85.1	0	0	0	113.6	K107	D56-K107 IonicContact OD2-NZ 3.92Å; D56-K107 PolarHBondContact OD2-NZ 2.79Å
57	F	84.1	Confident	84.5	Confident	58 Å²	58	65 Å²	65	25%	0.254	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.5	-169.7	177.5	-98.2	0	0	0	112.4	W46 D48 T51 S59 Y102	W46-F57 HydrophobicContact CB-CE2 4.3Å; W46-F57 AromaticContact CD1-CE2 3.85Å; W46-F57 HydrophobicContact CG-CE2 4.28Å; D48-F57 HydrophobicContact CB-CZ 4.07Å; T51-F57 HydrophobicContact CG2-CB 4.2Å; T51-F57 HydrophobicContact CG2-CD2 3.95Å; F57-S59 WeakPolarHBondContact CE1-OG 3.27Å; F57-Y102 HydrophobicContact CB-CD1 3.87Å; F57-Y102 HydrophobicContact CB-CE1 3.53Å; F57-Y102 HydrophobicContact CD1-CD1 4.42Å; F57-Y102 AromaticContact CD2-CD1 3.31Å; F57-Y102 HydrophobicContact CD2-CD1 3.31Å; F57-Y102 HydrophobicContact CD2-CD2 4.17Å; F57-Y102 AromaticContact CD2-CE1 3.85Å; F57-Y102 HydrophobicContact CD2-CE1 3.85Å; F57-Y102 AromaticContact CD2-CG 3.48Å; F57-Y102 HydrophobicContact CD2-CG 3.48Å; F57-Y102 VanDerWaalsContact CD2-CG 3.48Å; F57-Y102 AromaticContact CE2-CD1 3.94Å; F57-Y102 HydrophobicContact CE2-CD1 3.94Å; F57-Y102 AromaticContact CE2-CG 3.84Å; F57-Y102 HydrophobicContact CE2-CG 3.84Å; F57-Y102 AromaticContact CG-CD1 3.61Å; F57-Y102 HydrophobicContact CG-CD1 3.61Å; F57-Y102 AromaticContact CG-CE1 3.84Å; F57-Y102 HydrophobicContact CG-CE1 3.84Å; F57-Y102 HydrophobicContact CG-CG 4.25Å
58	R	85.7	Confident	84.7	Confident	59 Å²	59	58.8 Å²	58.8	22%	0.223	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	90.2	-170.2	-73.6	178.1	176.7	-97.9	3.9	110.8	G49 F50 N65 E80	G49-R58 CarbonylContact C-O 3.43Å; G49-R58 WeakPolarHBondContact CA-O 3.25Å; F50-R58 HydrophobicContact CD1-CB 3.99Å; F50-R58 WeakPolarHBondContact CD1-O 3.38Å; F50-R58 HydrophobicContact CD2-CB 4.12Å; F50-R58 HydrophobicContact CE1-CB 3.76Å; F50-R58 HydrophobicContact CE2-CB 3.88Å; F50-R58 VanDerWaalsContact CE2-CD 3.45Å; F50-R58 HydrophobicContact CE2-CG 4.29Å; F50-R58 HydrophobicContact CG-CB 4.18Å; F50-R58 HydrophobicContact CZ-CB 3.7Å; F50-R58 HydrophobicContact CZ-CG 4.32Å; F50-R58 PolarHBondContact N-O 3.39Å; F50-R58 PolarHBondContact O-N 3.15Å; R58-N65 WeakPolarHBondContact CA-ND2 3.45Å; R58-N65 HydrophobicContact CB-CB 4.44Å; R58-N65 WeakPolarHBondContact CB-ND2 3.48Å; R58-N65 WeakPolarHBondContact CD-OD1 3.43Å; R58-N65 WeakPolarHBondContact CG-OD1 3.29Å; R58-N65 PolarHBondContact NH1-OD1 2.92Å; R58-E80 IonicContact CZ-OE1 3.44Å; R58-E80 IonicContact CZ-OE2 3.06Å; R58-E80 IonicContact NH1-OE1 2.74Å; R58-E80 IonicContact NH1-OE2 2.79Å; R58-E80 PolarHBondContact NH1-OE2 2.87Å; R58-E80 IonicContact NH2-OE1 2.72Å; R58-E80 PolarHBondContact NH2-OE1 2.95Å; R58-E80 IonicContact NH2-OE2 2.66Å; R58-E80 PolarHBondContact NH2-OE2 3Å
59	S	86.7	Confident	84.8	Confident	35 Å²	35	54.6 Å²	54.6	25%	0.245	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	143.7	174.2	-67.6	0	0	0	0	111.8	D48 F57 S61 N65	D48-S59 WeakPolarHBondContact O-CA 3.49Å; D48-S59 PolarHBondContact OD1-OG 3.38Å; F57-S59 WeakPolarHBondContact CE1-OG 3.27Å; S59-S61 PolarHBondContact O-N 2.96Å; S59-S61 VanDerWaalsContact O-N 3.1Å; S59-N65 PolarHBondContact O-ND2 2.72Å; S59-N65 VanDerWaalsContact O-ND2 3.08Å
60	Y	86	Confident	84.9	Confident	57 Å²	57	57.7 Å²	57.7	22%	0.224	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-11.3	179.6	-59.5	-58.6	0	0	0	114	W46 D48 G49 F50 V62 Q66 L69	W46-Y60 VanDerWaalsContact O-CE2 3.3Å; W46-Y60 WeakPolarHBondContact O-CE2 3.25Å; W46-Y60 PolarHBondContact O-OH 3.36Å; D48-Y60 VanDerWaalsContact C-CE2 3.47Å; D48-Y60 WeakPolarHBondContact O-CD2 3.29Å; D48-Y60 PolarHBondContact O-N 2.81Å; G49-Y60 PolarHBondContact O-OH 2.71Å; F50-Y60 HydrophobicContact CD1-CD1 4.3Å; F50-Y60 HydrophobicContact CD1-CE1 4.03Å; Y60-V62 VanDerWaalsContact C-N 3.29Å; Y60-V62 PolarHBondContact O-N 3.37Å; Y60-Q66 WeakPolarHBondContact O-CG 3.37Å; Y60-Q66 PolarHBondContact O-NE2 2.72Å; Y60-L69 HydrophobicContact CD1-CD1 3.61Å; Y60-L69 HydrophobicContact CE1-CD1 3.6Å
61	S	86.6	Confident	84.9	Confident	110 Å²	110	57.9 Å²	57.9	77%	0.769	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.2	-177.3	-51.8	0	0	0	0	114.9	S59	S59-S61 PolarHBondContact O-N 2.96Å; S59-S61 VanDerWaalsContact O-N 3.1Å
62	V	89.6	Confident	84.8	Confident	60 Å²	60	59.4 Å²	59.4	36%	0.364	33%	0.327	S	S	.	.	S	Bend	trans	-96.1	132.1	-177.3	-174.9	0	0	0	0	110.1	Y60 E64 N65 Q66	Y60-V62 VanDerWaalsContact C-N 3.29Å; Y60-V62 PolarHBondContact O-N 3.37Å; V62-E64 VanDerWaalsContact C-N 3.34Å; V62-E64 HydrophobicContact CG1-CB 4.29Å; V62-E64 PolarHBondContact O-N 3.48Å; V62-N65 HydrophobicContact CB-CB 4.14Å; V62-N65 WeakPolarHBondContact O-CB 3.41Å; V62-N65 PolarHBondContact O-N 3.07Å; V62-N65 VanDerWaalsContact O-N 3.15Å; V62-Q66 PolarHBondContact O-N 3.28Å
63	S	88	Confident	84.7	Confident	100 Å²	100	64.7 Å²	64.7	70%	0.699	35%	0.349	S	S	*	.	H	α-helix	trans	-61.9	-37.7	-176.9	-55.1	0	0	0	0	113.5	N65 Q66 D67	S63-N65 VanDerWaalsContact C-N 3.33Å; S63-N65 PolarHBondContact O-N 3Å; S63-Q66 WeakPolarHBondContact O-CB 3.37Å; S63-Q66 PolarHBondContact O-N 3.35Å; S63-D67 PolarHBondContact O-N 3.27Å
64	E	86.7	Confident	85.1	Confident	147 Å²	147	67.5 Å²	67.5	69%	0.687	36%	0.355	S	S	*	.	H	α-helix	trans	-63.8	-38.6	175.7	-64.4	150	106.3	0	0	111.7	V62 Q66 D67 F68	V62-E64 VanDerWaalsContact C-N 3.34Å; V62-E64 HydrophobicContact CG1-CB 4.29Å; V62-E64 PolarHBondContact O-N 3.48Å; E64-Q66 VanDerWaalsContact C-N 3.34Å; E64-D67 PolarHBondContact O-N 3.26Å; E64-F68 PolarHBondContact O-N 3.36Å
65	N	87.7	Confident	85.7	Confident	13 Å²	13	67 Å²	67	7%	0.07	37%	0.369	C	S	.	.	H	α-helix	trans	-70.1	-30	175.4	-70.9	-20.4	0	0	0	112.3	F50 R58 S59 V62 S63 L69	F50-N65 HydrophobicContact CE1-CB 3.83Å; F50-N65 WeakPolarHBondContact CE1-O 3.34Å; F50-N65 HydrophobicContact CZ-CB 4.08Å; R58-N65 WeakPolarHBondContact CA-ND2 3.45Å; R58-N65 HydrophobicContact CB-CB 4.44Å; R58-N65 WeakPolarHBondContact CB-ND2 3.48Å; R58-N65 WeakPolarHBondContact CD-OD1 3.43Å; R58-N65 WeakPolarHBondContact CG-OD1 3.29Å; R58-N65 PolarHBondContact NH1-OD1 2.92Å; S59-N65 PolarHBondContact O-ND2 2.72Å; S59-N65 VanDerWaalsContact O-ND2 3.08Å; V62-N65 HydrophobicContact CB-CB 4.14Å; V62-N65 WeakPolarHBondContact O-CB 3.41Å; V62-N65 PolarHBondContact O-N 3.07Å; V62-N65 VanDerWaalsContact O-N 3.15Å; S63-N65 VanDerWaalsContact C-N 3.33Å; S63-N65 PolarHBondContact O-N 3Å; N65-L69 WeakPolarHBondContact O-CG 3.45Å; N65-L69 PolarHBondContact O-N 2.74Å
66	Q	86.6	Confident	86.2	Confident	83 Å²	83	70.6 Å²	70.6	39%	0.388	38%	0.378	S	S	.	.	H	α-helix	trans	-69.6	-45.3	172.1	-73.6	-75.5	-16.4	0	0	111.4	Y60 V62 S63 E64 L69 D70	Y60-Q66 WeakPolarHBondContact O-CG 3.37Å; Y60-Q66 PolarHBondContact O-NE2 2.72Å; V62-Q66 PolarHBondContact O-N 3.28Å; S63-Q66 WeakPolarHBondContact O-CB 3.37Å; S63-Q66 PolarHBondContact O-N 3.35Å; E64-Q66 VanDerWaalsContact C-N 3.34Å; Q66-L69 PolarHBondContact O-N 2.9Å; Q66-D70 WeakPolarHBondContact O-CB 2.87Å; Q66-D70 PolarHBondContact O-N 3.04Å
67	D	88.2	Confident	86.3	Confident	96 Å²	96	68.9 Å²	68.9	51%	0.513	37%	0.368	S	S	.	.	H	α-helix	trans	-63.1	-43.1	179.6	-171.4	-110.4	0	0	0	112	S63 E64 L69 D70 A71	S63-D67 PolarHBondContact O-N 3.27Å; E64-D67 PolarHBondContact O-N 3.26Å; D67-L69 VanDerWaalsContact C-N 3.33Å; D67-L69 PolarHBondContact O-N 3.08Å; D67-D70 PolarHBondContact O-N 3.21Å; D67-D70 VanDerWaalsContact O-N 3.08Å; D67-A71 PolarHBondContact O-N 3.45Å
68	F	87.9	Confident	86.3	Confident	8 Å²	8	66.3 Å²	66.3	4%	0.035	36%	0.357	C	S	.	.	H	α-helix	trans	-53.4	-46.7	171.7	177	-85.5	0	0	0	112.6	V43 F50 I52 E64 D70 I72 P78 W81	V43-F68 HydrophobicContact CG1-CE1 4.46Å; V43-F68 HydrophobicContact CG2-CE1 4.42Å; V43-F68 HydrophobicContact CG2-CZ 4.47Å; F50-F68 HydrophobicContact CD2-CD1 4.45Å; F50-F68 HydrophobicContact CD2-CE1 4.24Å; F50-F68 AromaticContact CE2-CD1 3.39Å; F50-F68 HydrophobicContact CE2-CD1 3.39Å; F50-F68 AromaticContact CE2-CE1 3.45Å; F50-F68 HydrophobicContact CE2-CE1 3.45Å; F50-F68 VanDerWaalsContact CE2-CE1 3.45Å; F50-F68 HydrophobicContact CE2-CG 4.34Å; F50-F68 HydrophobicContact CE2-CZ 4.42Å; F50-F68 HydrophobicContact CZ-CB 4.44Å; F50-F68 AromaticContact CZ-CD1 3.45Å; F50-F68 HydrophobicContact CZ-CD1 3.45Å; F50-F68 VanDerWaalsContact CZ-CD1 3.45Å; F50-F68 HydrophobicContact CZ-CE1 4.02Å; F50-F68 HydrophobicContact CZ-CG 4.18Å; I52-F68 HydrophobicContact CD1-CE1 3.92Å; I52-F68 HydrophobicContact CD1-CE2 3.78Å; I52-F68 HydrophobicContact CD1-CZ 3.37Å; I52-F68 HydrophobicContact CG1-CE1 4.24Å; I52-F68 HydrophobicContact CG1-CZ 3.94Å; E64-F68 PolarHBondContact O-N 3.36Å; F68-D70 VanDerWaalsContact C-N 3.35Å; F68-I72 HydrophobicContact CD1-CD1 4.03Å; F68-I72 HydrophobicContact CE1-CD1 3.38Å; F68-I72 HydrophobicContact CZ-CD1 3.72Å; F68-I72 WeakPolarHBondContact O-CG1 3.41Å; F68-I72 PolarHBondContact O-N 3.44Å; F68-P78 HydrophobicContact CD2-CB 3.39Å; F68-P78 HydrophobicContact CD2-CG 3.88Å; F68-P78 HydrophobicContact CE2-CB 3.64Å; F68-P78 HydrophobicContact CE2-CG 3.82Å; F68-P78 HydrophobicContact CG-CB 4.18Å; F68-P78 HydrophobicContact CG-CG 4.42Å; F68-P78 HydrophobicContact CZ-CG 4.33Å; F68-W81 HydrophobicContact CE2-CD2 4.32Å; F68-W81 HydrophobicContact CE2-CZ2 4.16Å; F68-W81 AromaticContact CZ-CE2 3.96Å; F68-W81 AromaticContact CZ-CH2 3.84Å; F68-W81 HydrophobicContact CZ-CH2 3.84Å; F68-W81 AromaticContact CZ-CZ2 3.62Å; F68-W81 HydrophobicContact CZ-CZ2 3.62Å; F68-W81 HydrophobicContact CZ-CZ3 4.37Å
69	L	86.7	Confident	86	Confident	10 Å²	10	66.8 Å²	66.8	5%	0.052	37%	0.374	C	S	.	.	H	α-helix	trans	-70.2	-31.7	177.6	-71.5	172.2	0	0	0	112.7	F50 Y60 N65 Q66 D67 K73	F50-L69 HydrophobicContact CD1-CD1 3.63Å; F50-L69 HydrophobicContact CD1-CD2 3.86Å; F50-L69 HydrophobicContact CD1-CG 3.88Å; F50-L69 HydrophobicContact CD2-CD2 4.39Å; F50-L69 HydrophobicContact CE1-CD1 3.53Å; F50-L69 HydrophobicContact CE1-CD2 3.92Å; F50-L69 HydrophobicContact CE1-CG 3.52Å; F50-L69 HydrophobicContact CE2-CD2 4.47Å; F50-L69 HydrophobicContact CG-CD2 4.09Å; F50-L69 HydrophobicContact CZ-CD1 4.45Å; F50-L69 HydrophobicContact CZ-CD2 4.23Å; F50-L69 HydrophobicContact CZ-CG 3.98Å; Y60-L69 HydrophobicContact CD1-CD1 3.61Å; Y60-L69 HydrophobicContact CE1-CD1 3.6Å; N65-L69 WeakPolarHBondContact O-CG 3.45Å; N65-L69 PolarHBondContact O-N 2.74Å; Q66-L69 PolarHBondContact O-N 2.9Å; D67-L69 VanDerWaalsContact C-N 3.33Å; D67-L69 PolarHBondContact O-N 3.08Å; L69-K73 WeakPolarHBondContact O-CG 3.23Å; L69-K73 PolarHBondContact O-N 3.4Å
70	D	87.9	Confident	85.7	Confident	65 Å²	65	70 Å²	70	35%	0.348	39%	0.385	S	S	.	.	H	α-helix	trans	-75.3	-38.2	179.8	-152.1	-111.6	0	0	0	111.5	Q66 D67 F68 I72 K73 R74	Q66-D70 WeakPolarHBondContact O-CB 2.87Å; Q66-D70 PolarHBondContact O-N 3.04Å; D67-D70 PolarHBondContact O-N 3.21Å; D67-D70 VanDerWaalsContact O-N 3.08Å; F68-D70 VanDerWaalsContact C-N 3.35Å; D70-I72 PolarHBondContact O-N 2.88Å; D70-K73 PolarHBondContact O-N 2.94Å; D70-K73 VanDerWaalsContact O-N 3.16Å; D70-R74 WeakPolarHBondContact O-CB 3.38Å; D70-R74 WeakPolarHBondContact O-CG 3.43Å; D70-R74 PolarHBondContact O-N 3.49Å; D70-R74 WeakPolarHBondContact OD1-CD 3.11Å; D70-R74 IonicContact OD1-CZ 3.69Å; D70-R74 IonicContact OD1-NE 3.9Å; D70-R74 IonicContact OD1-NH1 2.76Å; D70-R74 PolarHBondContact OD1-NH1 3.03Å
71	A	87.5	Confident	85.5	Confident	4 Å²	4	67.8 Å²	67.8	3%	0.033	38%	0.376	C	S	.	.	H	α-helix	trans	-53.5	-51.2	167.5	0	0	0	0	0	111.5	D67 K73 R74 G75 E76 P78	D67-A71 PolarHBondContact O-N 3.45Å; A71-K73 VanDerWaalsContact C-N 3.34Å; A71-K73 PolarHBondContact O-N 3.26Å; A71-R74 CarbonylContact O-C 3.58Å; A71-R74 PolarHBondContact O-N 3.46Å; A71-R74 VanDerWaalsContact O-N 3.08Å; A71-G75 PolarHBondContact O-N 2.93Å; A71-E76 CarbonylContact C-O 3.54Å; A71-E76 VanDerWaalsContact C-O 3.29Å; A71-E76 HydrophobicContact CB-CB 4.37Å; A71-E76 PolarHBondContact O-N 2.8Å; A71-E76 VanDerWaalsContact O-O 3.12Å; A71-P78 HydrophobicContact CB-CB 4.33Å; A71-P78 HydrophobicContact CB-CG 4.05Å
72	I	86.3	Confident	85.1	Confident	32 Å²	32	68.3 Å²	68.3	16%	0.164	37%	0.366	C	S	.	.	H	α-helix	trans	-58.1	-42.8	176	-67.4	177.9	0	0	0	111.9	V43 F68 D70 R74 G75 P78 W81 V94	V43-I72 HydrophobicContact CG2-CD1 4.03Å; F68-I72 HydrophobicContact CD1-CD1 4.03Å; F68-I72 HydrophobicContact CE1-CD1 3.38Å; F68-I72 HydrophobicContact CZ-CD1 3.72Å; F68-I72 WeakPolarHBondContact O-CG1 3.41Å; F68-I72 PolarHBondContact O-N 3.44Å; D70-I72 PolarHBondContact O-N 2.88Å; I72-R74 VanDerWaalsContact C-N 3.33Å; I72-R74 PolarHBondContact O-N 2.95Å; I72-G75 PolarHBondContact O-N 2.69Å; I72-P78 HydrophobicContact CD1-CG 4.19Å; I72-P78 HydrophobicContact CG1-CG 3.66Å; I72-W81 HydrophobicContact CD1-CH2 4.05Å; I72-W81 HydrophobicContact CD1-CZ3 4.04Å; I72-W81 HydrophobicContact CG1-CZ3 4.46Å; I72-V94 HydrophobicContact CG2-CG2 4.07Å
73	K	84.9	Confident	84.4	Confident	136 Å²	136	69.8 Å²	69.8	59%	0.591	38%	0.38	S	S	*	.	H	α-helix	trans	-65.7	-32.7	176.7	-71.1	165	-161.5	158.3	0	113.2	L69 D70 A71 G75	L69-K73 WeakPolarHBondContact O-CG 3.23Å; L69-K73 PolarHBondContact O-N 3.4Å; D70-K73 PolarHBondContact O-N 2.94Å; D70-K73 VanDerWaalsContact O-N 3.16Å; A71-K73 VanDerWaalsContact C-N 3.34Å; A71-K73 PolarHBondContact O-N 3.26Å; K73-G75 VanDerWaalsContact C-N 3.27Å
74	R	87.6	Confident	83.7	Confident	125 Å²	125	69.5 Å²	69.5	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-79.2	-10.9	177.1	-65.9	-180	-36.7	-118.1	5.7	112.4	D70 A71 I72 E76	D70-R74 WeakPolarHBondContact O-CB 3.38Å; D70-R74 WeakPolarHBondContact O-CG 3.43Å; D70-R74 PolarHBondContact O-N 3.49Å; D70-R74 WeakPolarHBondContact OD1-CD 3.11Å; D70-R74 IonicContact OD1-CZ 3.69Å; D70-R74 IonicContact OD1-NE 3.9Å; D70-R74 IonicContact OD1-NH1 2.76Å; D70-R74 PolarHBondContact OD1-NH1 3.03Å; A71-R74 CarbonylContact O-C 3.58Å; A71-R74 PolarHBondContact O-N 3.46Å; A71-R74 VanDerWaalsContact O-N 3.08Å; I72-R74 VanDerWaalsContact C-N 3.33Å; I72-R74 PolarHBondContact O-N 2.95Å; R74-E76 VanDerWaalsContact C-N 3.29Å; R74-E76 HydrophobicContact CB-CG 4.29Å; R74-E76 IonicContact CZ-OE2 3.16Å; R74-E76 IonicContact NE-OE2 2.71Å; R74-E76 PolarHBondContact NE-OE2 2.83Å; R74-E76 IonicContact NH2-OE2 2.74Å; R74-E76 PolarHBondContact NH2-OE2 2.93Å
75	G	82.3	Confident	83.2	Confident	71 Å²	71	64.4 Å²	64.4	73%	0.732	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	17	-173.3	0	0	0	0	0	113.3	A71 I72 K73	A71-G75 PolarHBondContact O-N 2.93Å; I72-G75 PolarHBondContact O-N 2.69Å; K73-G75 VanDerWaalsContact C-N 3.27Å
76	E	84.5	Confident	82.5	Confident	105 Å²	105	72.6 Å²	72.6	49%	0.491	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-93.6	152.2	175.1	-67	179.6	126.9	0	0	110.4	A71 R74 P78	A71-E76 CarbonylContact C-O 3.54Å; A71-E76 VanDerWaalsContact C-O 3.29Å; A71-E76 HydrophobicContact CB-CB 4.37Å; A71-E76 PolarHBondContact O-N 2.8Å; A71-E76 VanDerWaalsContact O-O 3.12Å; R74-E76 VanDerWaalsContact C-N 3.29Å; R74-E76 HydrophobicContact CB-CG 4.29Å; R74-E76 IonicContact CZ-OE2 3.16Å; R74-E76 IonicContact NE-OE2 2.71Å; R74-E76 PolarHBondContact NE-OE2 2.83Å; R74-E76 IonicContact NH2-OE2 2.74Å; R74-E76 PolarHBondContact NH2-OE2 2.93Å; E76-P78 WeakPolarHBondContact O-CD 3.37Å
77	L	80.7	Confident	82	Confident	73 Å²	73	76.2 Å²	76.2	38%	0.382	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-83.1	121.7	-178.4	-163.9	136.6	0	0	0	109.8	W81 E82 A85	L77-W81 VanDerWaalsContact CD2-C 3.47Å; L77-W81 HydrophobicContact CD2-CB 3.87Å; L77-W81 HydrophobicContact CG-CB 4.4Å; L77-E82 VanDerWaalsContact CD2-CA 3.48Å; L77-E82 HydrophobicContact CD2-CB 4.24Å; L77-E82 HydrophobicContact CD2-CG 3.78Å; L77-E82 VanDerWaalsContact CD2-N 3.33Å; L77-A85 HydrophobicContact CD1-CB 3.71Å; L77-A85 HydrophobicContact CD2-CB 3.88Å; L77-A85 HydrophobicContact CG-CB 4.47Å
78	P	84.1	Confident	81.5	Confident	3 Å²	3	73.8 Å²	73.8	2%	0.019	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-66.8	149	-177.1	-21.6	33.3	0	0	0	113.4	F68 A71 I72 E76 E80 W81 E82	F68-P78 HydrophobicContact CD2-CB 3.39Å; F68-P78 HydrophobicContact CD2-CG 3.88Å; F68-P78 HydrophobicContact CE2-CB 3.64Å; F68-P78 HydrophobicContact CE2-CG 3.82Å; F68-P78 HydrophobicContact CG-CB 4.18Å; F68-P78 HydrophobicContact CG-CG 4.42Å; F68-P78 HydrophobicContact CZ-CG 4.33Å; A71-P78 HydrophobicContact CB-CB 4.33Å; A71-P78 HydrophobicContact CB-CG 4.05Å; I72-P78 HydrophobicContact CD1-CG 4.19Å; I72-P78 HydrophobicContact CG1-CG 3.66Å; E76-P78 WeakPolarHBondContact O-CD 3.37Å; P78-E80 VanDerWaalsContact C-N 3.27Å; P78-E80 PolarHBondContact O-N 3.04Å; P78-E80 VanDerWaalsContact O-N 3.14Å; P78-W81 HydrophobicContact CG-CE3 4.07Å; P78-W81 HydrophobicContact CG-CZ3 4.36Å; P78-W81 WeakPolarHBondContact O-CA 3.23Å; P78-W81 WeakPolarHBondContact O-CB 3.27Å; P78-W81 PolarHBondContact O-N 2.99Å; P78-E82 PolarHBondContact O-N 3.1Å
79	A	79.1	Confident	81.1	Confident	69 Å²	69	78.5 Å²	78.5	57%	0.57	41%	0.409	S	S	*	.	H	α-helix	trans	-57.4	-31.9	-176.3	0	0	0	0	0	115.2	W81 E82	A79-W81 PolarHBondContact O-N 3Å; A79-E82 WeakPolarHBondContact CA-OE2 3.17Å; A79-E82 PolarHBondContact O-N 3.34Å
80	E	80	Confident	80.8	Confident	103 Å²	103	79.6 Å²	79.6	48%	0.481	41%	0.414	S	S	.	.	H	α-helix	trans	-65.8	-15.4	173.6	-71.4	-167.8	29.6	0	0	114	R58 P78	R58-E80 IonicContact CZ-OE1 3.44Å; R58-E80 IonicContact CZ-OE2 3.06Å; R58-E80 IonicContact NH1-OE1 2.74Å; R58-E80 IonicContact NH1-OE2 2.79Å; R58-E80 PolarHBondContact NH1-OE2 2.87Å; R58-E80 IonicContact NH2-OE1 2.72Å; R58-E80 PolarHBondContact NH2-OE1 2.95Å; R58-E80 IonicContact NH2-OE2 2.66Å; R58-E80 PolarHBondContact NH2-OE2 3Å; P78-E80 VanDerWaalsContact C-N 3.27Å; P78-E80 PolarHBondContact O-N 3.04Å; P78-E80 VanDerWaalsContact O-N 3.14Å
81	W	82.1	Confident	80.6	Confident	10 Å²	10	80.6 Å²	80.6	4%	0.038	42%	0.417	C	S	.	.	H	α-helix	trans	-109.2	-15.9	179.9	-69.8	-9.1	0	0	0	113.1	M41 V43 I52 F68 I72 L77 P78 A79 S83 R84 A85 L90 I92	M41-W81 HydrophobicContact CB-CH2 3.74Å; M41-W81 HydrophobicContact CB-CZ2 3.71Å; M41-W81 HydrophobicContact CB-CZ3 4.31Å; M41-W81 HydrophobicContact CG-CD2 4.44Å; M41-W81 HydrophobicContact CG-CH2 4.38Å; M41-W81 HydrophobicContact CG-CZ2 3.99Å; M41-W81 HydrophobicContact SD-CZ2 3.93Å; V43-W81 HydrophobicContact CG2-CH2 3.53Å; V43-W81 HydrophobicContact CG2-CZ2 3.99Å; I52-W81 HydrophobicContact CG2-CZ2 3.8Å; F68-W81 HydrophobicContact CE2-CD2 4.32Å; F68-W81 HydrophobicContact CE2-CZ2 4.16Å; F68-W81 AromaticContact CZ-CE2 3.96Å; F68-W81 AromaticContact CZ-CH2 3.84Å; F68-W81 HydrophobicContact CZ-CH2 3.84Å; F68-W81 AromaticContact CZ-CZ2 3.62Å; F68-W81 HydrophobicContact CZ-CZ2 3.62Å; F68-W81 HydrophobicContact CZ-CZ3 4.37Å; I72-W81 HydrophobicContact CD1-CH2 4.05Å; I72-W81 HydrophobicContact CD1-CZ3 4.04Å; I72-W81 HydrophobicContact CG1-CZ3 4.46Å; L77-W81 VanDerWaalsContact CD2-C 3.47Å; L77-W81 HydrophobicContact CD2-CB 3.87Å; L77-W81 HydrophobicContact CG-CB 4.4Å; P78-W81 HydrophobicContact CG-CE3 4.07Å; P78-W81 HydrophobicContact CG-CZ3 4.36Å; P78-W81 WeakPolarHBondContact O-CA 3.23Å; P78-W81 WeakPolarHBondContact O-CB 3.27Å; P78-W81 PolarHBondContact O-N 2.99Å; A79-W81 PolarHBondContact O-N 3Å; W81-S83 VanDerWaalsContact C-N 3.35Å; W81-S83 PolarHBondContact O-N 2.77Å; W81-R84 CarbonylContact O-C 3.59Å; W81-R84 WeakPolarHBondContact O-CA 3.45Å; W81-R84 PolarHBondContact O-N 3.44Å; W81-A85 WeakPolarHBondContact O-CB 3.42Å; W81-A85 PolarHBondContact O-N 2.89Å; W81-L90 HydrophobicContact CB-CD1 3.67Å; W81-L90 HydrophobicContact CD2-CD1 4.45Å; W81-L90 HydrophobicContact CG-CD1 4.06Å; W81-I92 HydrophobicContact CE3-CD1 3.97Å; W81-I92 HydrophobicContact CE3-CG1 4.11Å; W81-I92 HydrophobicContact CH2-CG1 4.35Å; W81-I92 HydrophobicContact CH2-CG2 3.99Å; W81-I92 HydrophobicContact CZ3-CB 4.26Å; W81-I92 HydrophobicContact CZ3-CD1 3.64Å; W81-I92 HydrophobicContact CZ3-CG1 3.55Å; W81-I92 HydrophobicContact CZ3-CG2 3.74Å
82	E	78.1	Confident	80.5	Confident	121 Å²	121	83.8 Å²	83.8	57%	0.565	43%	0.433	S	S	*	.	H	α-helix	trans	-54.3	-49.5	179.6	-74.2	-175.8	100.9	0	0	111.7	L77 P78 A79 R84 A85 E86	L77-E82 VanDerWaalsContact CD2-CA 3.48Å; L77-E82 HydrophobicContact CD2-CB 4.24Å; L77-E82 HydrophobicContact CD2-CG 3.78Å; L77-E82 VanDerWaalsContact CD2-N 3.33Å; P78-E82 PolarHBondContact O-N 3.1Å; A79-E82 WeakPolarHBondContact CA-OE2 3.17Å; A79-E82 PolarHBondContact O-N 3.34Å; E82-R84 PolarHBondContact O-N 3.22Å; E82-A85 PolarHBondContact O-N 2.89Å; E82-E86 PolarHBondContact O-N 2.91Å; E82-E86 VanDerWaalsContact O-N 3.14Å
83	S	75.4	Confident	80.4	Confident	92 Å²	92	84.1 Å²	84.1	64%	0.643	44%	0.438	S	S	*	.	H	α-helix	trans	-61.7	-26.7	177.2	-52.5	0	0	0	0	113.6	W81	W81-S83 VanDerWaalsContact C-N 3.35Å; W81-S83 PolarHBondContact O-N 2.77Å
84	R	74.1	Confident	80.5	Confident	93 Å²	93	81.7 Å²	81.7	35%	0.351	43%	0.434	S	S	.	.	H	α-helix	trans	-89.4	-28.9	178.1	-159.7	178.9	-177.3	170.2	-0.5	112.6	W81 E82 E86 E87 E88 L90	W81-R84 CarbonylContact O-C 3.59Å; W81-R84 WeakPolarHBondContact O-CA 3.45Å; W81-R84 PolarHBondContact O-N 3.44Å; E82-R84 PolarHBondContact O-N 3.22Å; R84-E86 PolarHBondContact O-N 2.93Å; R84-E87 PolarHBondContact O-N 3.14Å; R84-E87 VanDerWaalsContact O-N 3.08Å; R84-E88 IonicContact CZ-OE2 3.17Å; R84-E88 IonicContact NE-OE2 2.79Å; R84-E88 PolarHBondContact NE-OE2 2.97Å; R84-E88 IonicContact NH2-OE2 2.7Å; R84-E88 PolarHBondContact NH2-OE2 3.15Å; R84-E88 PolarHBondContact O-N 2.9Å; R84-E88 VanDerWaalsContact O-O 3.1Å; R84-L90 HydrophobicContact CB-CD1 4.5Å; R84-L90 HydrophobicContact CB-CD2 4.47Å; R84-L90 HydrophobicContact CG-CD2 4.13Å
85	A	75.8	Confident	80.5	Confident	40 Å²	40	79 Å²	79	33%	0.331	43%	0.427	S	S	.	.	H	α-helix	trans	-68.6	-23	172.1	0	0	0	0	0	112.4	L77 W81 E82 E88 L90	L77-A85 HydrophobicContact CD1-CB 3.71Å; L77-A85 HydrophobicContact CD2-CB 3.88Å; L77-A85 HydrophobicContact CG-CB 4.47Å; W81-A85 WeakPolarHBondContact O-CB 3.42Å; W81-A85 PolarHBondContact O-N 2.89Å; E82-A85 PolarHBondContact O-N 2.89Å; A85-E88 WeakPolarHBondContact CA-O 3.36Å; A85-L90 HydrophobicContact CB-CD1 4.03Å; A85-L90 HydrophobicContact CB-CG 4.33Å
86	E	73.8	Confident	80.7	Confident	185 Å²	185	81 Å²	81	86%	0.864	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.5	168.4	-168.4	171.7	98.9	0	0	112.6	E82 R84	E82-E86 PolarHBondContact O-N 2.91Å; E82-E86 VanDerWaalsContact O-N 3.14Å; R84-E86 PolarHBondContact O-N 2.93Å
87	E	75.9	Confident	80.5	Confident	160 Å²	160	78 Å²	78	75%	0.748	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-39.4	178.7	-66	-172.9	108.7	0	0	113.9	R84	R84-E87 PolarHBondContact O-N 3.14Å; R84-E87 VanDerWaalsContact O-N 3.08Å
88	E	77.8	Confident	80.2	Confident	45 Å²	45	77.4 Å²	77.4	21%	0.21	41%	0.407	C	S	.	.	S	Bend	trans	-145.8	141.6	-168.8	-55.9	-174.5	102.3	0	0	111.6	S37 V39 R84 A85 L90	S37-E88 WeakPolarHBondContact CB-OE1 3.41Å; S37-E88 PolarHBondContact OG-OE1 2.87Å; V39-E88 HydrophobicContact CG2-CB 3.78Å; V39-E88 VanDerWaalsContact CG2-CD 3.41Å; V39-E88 HydrophobicContact CG2-CG 4.22Å; V39-E88 VanDerWaalsContact CG2-OE2 3.22Å; V39-E88 WeakPolarHBondContact CG2-OE2 3.44Å; R84-E88 IonicContact CZ-OE2 3.17Å; R84-E88 IonicContact NE-OE2 2.79Å; R84-E88 PolarHBondContact NE-OE2 2.97Å; R84-E88 IonicContact NH2-OE2 2.7Å; R84-E88 PolarHBondContact NH2-OE2 3.15Å; R84-E88 PolarHBondContact O-N 2.9Å; R84-E88 VanDerWaalsContact O-O 3.1Å; A85-E88 WeakPolarHBondContact CA-O 3.36Å; E88-L90 PolarHBondContact O-N 2.85Å
89	E	79.1	Confident	79.6	Confident	107 Å²	107	86.2 Å²	86.2	50%	0.5	45%	0.448	S	S	.	.			trans	-64.8	131.7	171.5	-71.6	-172.5	95.7	0	0	111.1	T36 K38 V39	T36-E89 WeakPolarHBondContact CB-OE2 3.5Å; T36-E89 HydrophobicContact CG2-CG 4.06Å; T36-E89 WeakPolarHBondContact CG2-OE2 3.43Å; T36-E89 PolarHBondContact OG1-OE2 2.91Å; K38-E89 CarbonylContact C-O 3.58Å; K38-E89 VanDerWaalsContact CA-O 3.25Å; K38-E89 WeakPolarHBondContact CA-O 3.48Å; K38-E89 HydrophobicContact CG-CB 4.28Å; V39-E89 PolarHBondContact N-O 3.41Å
90	L	80.8	Confident	79.2	Confident	32 Å²	32	88.2 Å²	88.2	17%	0.168	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.4	-177.1	-53.5	-175.6	0	0	0	111.9	V39 M41 W81 R84 A85 E88	V39-L90 HydrophobicContact CB-CD2 3.78Å; V39-L90 HydrophobicContact CG2-CD2 4.13Å; M41-L90 HydrophobicContact CE-CD2 4.12Å; M41-L90 HydrophobicContact CG-CD2 4.47Å; W81-L90 HydrophobicContact CB-CD1 3.67Å; W81-L90 HydrophobicContact CD2-CD1 4.45Å; W81-L90 HydrophobicContact CG-CD1 4.06Å; R84-L90 HydrophobicContact CB-CD1 4.5Å; R84-L90 HydrophobicContact CB-CD2 4.47Å; R84-L90 HydrophobicContact CG-CD2 4.13Å; A85-L90 HydrophobicContact CB-CD1 4.03Å; A85-L90 HydrophobicContact CB-CG 4.33Å; E88-L90 PolarHBondContact O-N 2.85Å
91	E	83.1	Confident	78.7	Confident	86 Å²	86	88.4 Å²	88.4	40%	0.402	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	111.9	171.5	178.7	137.6	54.4	0	0	110.3	K38 V39 E40 M41	K38-E91 HydrophobicContact CD-CB 4.32Å; K38-E91 WeakPolarHBondContact CE-OE1 3.48Å; K38-E91 HydrophobicContact CG-CB 4.37Å; K38-E91 IonicContact NZ-OE1 2.73Å; K38-E91 PolarHBondContact NZ-OE1 2.79Å; K38-E91 IonicContact NZ-OE2 2.68Å; K38-E91 PolarHBondContact NZ-OE2 3.18Å; V39-E91 PolarHBondContact O-N 3.38Å; E40-E91 CarbonylContact C-O 3.01Å; M41-E91 PolarHBondContact N-O 3.35Å
92	I	85.4	Confident	78	Confident	71 Å²	71	90.6 Å²	90.6	36%	0.364	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	107.4	-173.2	-54.3	169	0	0	0	109.8	W81 V94	W81-I92 HydrophobicContact CE3-CD1 3.97Å; W81-I92 HydrophobicContact CE3-CG1 4.11Å; W81-I92 HydrophobicContact CH2-CG1 4.35Å; W81-I92 HydrophobicContact CH2-CG2 3.99Å; W81-I92 HydrophobicContact CZ3-CB 4.26Å; W81-I92 HydrophobicContact CZ3-CD1 3.64Å; W81-I92 HydrophobicContact CZ3-CG1 3.55Å; W81-I92 HydrophobicContact CZ3-CG2 3.74Å; I92-V94 HydrophobicContact CG2-CG2 4.32Å
93	S	84.6	Confident	77.4	Confident	40 Å²	40	90.4 Å²	90.4	28%	0.28	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.8	178.3	-74.6	0	0	0	0	109.9	M41 V42 V43	M41-S93 PolarHBondContact O-N 2.86Å; V42-S93 CarbonylContact C-O 3.29Å; V42-S93 WeakPolarHBondContact CA-O 3.46Å; V43-S93 PolarHBondContact N-O 3.05Å
94	V	87	Confident	77	Confident	84 Å²	84	90 Å²	90	51%	0.509	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116.1	-179.2	-174.4	0	0	0	0	110.2	V43 L45 I72 I92	V43-V94 WeakPolarHBondContact O-CA 3.45Å; L45-V94 HydrophobicContact CD1-CG1 3.49Å; L45-V94 VanDerWaalsContact CD1-CG1 3.49Å; I72-V94 HydrophobicContact CG2-CG2 4.07Å; I92-V94 HydrophobicContact CG2-CG2 4.32Å
95	E	87.3	Confident	76.6	Confident	70 Å²	70	91.4 Å²	91.4	33%	0.327	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.9	175.6	-71.1	179.3	102.1	0	0	109.9	V42 V43 R44 L45	V42-E95 HydrophobicContact CG1-CG 4.3Å; V42-E95 WeakPolarHBondContact CG1-OE2 3.36Å; V43-E95 PolarHBondContact O-N 3.08Å; R44-E95 CarbonylContact C-O 3.53Å; R44-E95 WeakPolarHBondContact CA-O 3.49Å; R44-E95 HydrophobicContact CG-CB 4.19Å; R44-E95 WeakPolarHBondContact CG-OE2 3.5Å; R44-E95 IonicContact CZ-OE1 2.66Å; R44-E95 IonicContact CZ-OE2 2.69Å; R44-E95 IonicContact NE-OE2 4Å; R44-E95 PolarHBondContact NE-OE2 2.9Å; R44-E95 VanDerWaalsContact NH2-CD 3.28Å; R44-E95 IonicContact NH2-OE1 3.04Å; R44-E95 PolarHBondContact NH2-OE1 2.89Å; R44-E95 IonicContact NH2-OE2 2.7Å; R44-E95 PolarHBondContact NH2-OE2 3.1Å; L45-E95 PolarHBondContact N-O 3.36Å
96	D	85.2	Confident	75.8	Confident	111 Å²	111	99.2 Å²	99.2	59%	0.594	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	118.4	168.7	-163.2	-62.8	0	0	0	110.2	T98	D96-T98 VanDerWaalsContact OD1-CB 3.29Å; D96-T98 WeakPolarHBondContact OD1-CB 3.24Å; D96-T98 VanDerWaalsContact OD1-CG2 3.27Å; D96-T98 WeakPolarHBondContact OD1-CG2 3.42Å; D96-T98 PolarHBondContact OD1-N 3.41Å; D96-T98 PolarHBondContact OD1-OG1 3.2Å; D96-T98 WeakPolarHBondContact OD2-CG2 3.36Å
97	M	81	Confident	75.3	Confident	44 Å²	44	98.3 Å²	98.3	22%	0.217	49%	0.489	C	S	.	.			trans	-126.3	30.3	174.5	-58.1	-171	69.8	0	0	110.1	R44 L45 W46 E99 E100	R44-M97 HydrophobicContact CB-SD 4.33Å; R44-M97 HydrophobicContact CG-SD 4.38Å; L45-M97 CarbonylContact O-C 3.57Å; L45-M97 WeakPolarHBondContact O-CA 3.46Å; L45-M97 WeakPolarHBondContact O-CB 3.27Å; L45-M97 PolarHBondContact O-N 3.03Å; W46-M97 HydrophobicContact CD2-CB 4.42Å; W46-M97 HydrophobicContact CE3-CB 3.89Å; W46-M97 HydrophobicContact CE3-SD 4.48Å; W46-M97 HydrophobicContact CH2-CE 3.65Å; W46-M97 HydrophobicContact CH2-SD 3.55Å; W46-M97 VanDerWaalsContact CH2-SD 3.55Å; W46-M97 HydrophobicContact CZ2-SD 4.08Å; W46-M97 HydrophobicContact CZ3-CB 4.03Å; W46-M97 HydrophobicContact CZ3-CE 3.54Å; W46-M97 HydrophobicContact CZ3-SD 3.79Å; M97-E99 PolarHBondContact O-N 2.82Å; M97-E99 VanDerWaalsContact O-N 3.15Å; M97-E100 VanDerWaalsContact CE-OE1 3.32Å; M97-E100 WeakPolarHBondContact CE-OE1 3.45Å; M97-E100 PolarHBondContact O-N 3.19Å
98	T	75.3	Confident	74.6	Confident	60 Å²	60	94 Å²	94	37%	0.368	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.2	-168.3	54.8	0	0	0	0	114.7	L45 K47 D96	L45-T98 HydrophobicContact CB-CG2 4.01Å; L45-T98 PolarHBondContact O-N 3.14Å; L45-T98 VanDerWaalsContact O-N 3.15Å; K47-T98 WeakPolarHBondContact CB-O 3.44Å; D96-T98 VanDerWaalsContact OD1-CB 3.29Å; D96-T98 WeakPolarHBondContact OD1-CB 3.24Å; D96-T98 VanDerWaalsContact OD1-CG2 3.27Å; D96-T98 WeakPolarHBondContact OD1-CG2 3.42Å; D96-T98 PolarHBondContact OD1-N 3.41Å; D96-T98 PolarHBondContact OD1-OG1 3.2Å; D96-T98 WeakPolarHBondContact OD2-CG2 3.36Å
99	E	70.3	Confident	74	Confident	188 Å²	188	100.7 Å²	100.7	88%	0.879	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-25.2	169.6	-171.3	164.1	85.8	0	0	112.6	M97	M97-E99 PolarHBondContact O-N 2.82Å; M97-E99 VanDerWaalsContact O-N 3.15Å
100	E	70.5	Confident	73.2	Confident	111 Å²	111	102.1 Å²	102.1	52%	0.519	52%	0.516	S	S	.	.	S	Bend	trans	-90.5	146.4	-179.1	-167.5	156.5	82	0	0	112.2	W46 K47 M97	W46-E100 HydrophobicContact CE3-CB 4.22Å; W46-E100 HydrophobicContact CE3-CG 4.41Å; W46-E100 HydrophobicContact CZ3-CB 4.19Å; W46-E100 HydrophobicContact CZ3-CG 4.06Å; K47-E100 PolarHBondContact N-O 3.44Å; M97-E100 VanDerWaalsContact CE-OE1 3.32Å; M97-E100 WeakPolarHBondContact CE-OE1 3.45Å; M97-E100 PolarHBondContact O-N 3.19Å
101	N	69.4	Low	72.4	Confident	107 Å²	107	104.1 Å²	104.1	57%	0.572	53%	0.531	S	S	*	.			trans	-93.4	126.9	175.6	-60	-96.1	0	0	0	107.7	V103	N101-V103 PolarHBondContact O-N 3.18Å
102	Y	67.8	Low	71.6	Confident	56 Å²	56	109.5 Å²	109.5	22%	0.22	55%	0.553	C	S	.	*			trans	-57.2	115.5	-179.3	174.7	-112.3	0	0	0	111.5	W46 T51 F57 P104	W46-Y102 HydrophobicContact CD2-CD2 4.08Å; W46-Y102 HydrophobicContact CD2-CG 4.46Å; W46-Y102 AromaticContact CE2-CD2 3.56Å; W46-Y102 HydrophobicContact CG-CD2 4.46Å; W46-Y102 HydrophobicContact CH2-CD2 4.4Å; W46-Y102 AromaticContact CZ2-CD2 3.76Å; W46-Y102 HydrophobicContact CZ2-CD2 3.76Å; W46-Y102 HydrophobicContact CZ2-CE2 4.36Å; W46-Y102 AromaticContact NE1-CD2 3.63Å; T51-Y102 HydrophobicContact CG2-CD2 3.95Å; T51-Y102 HydrophobicContact CG2-CE2 3.5Å; F57-Y102 HydrophobicContact CB-CD1 3.87Å; F57-Y102 HydrophobicContact CB-CE1 3.53Å; F57-Y102 HydrophobicContact CD1-CD1 4.42Å; F57-Y102 AromaticContact CD2-CD1 3.31Å; F57-Y102 HydrophobicContact CD2-CD1 3.31Å; F57-Y102 HydrophobicContact CD2-CD2 4.17Å; F57-Y102 AromaticContact CD2-CE1 3.85Å; F57-Y102 HydrophobicContact CD2-CE1 3.85Å; F57-Y102 AromaticContact CD2-CG 3.48Å; F57-Y102 HydrophobicContact CD2-CG 3.48Å; F57-Y102 VanDerWaalsContact CD2-CG 3.48Å; F57-Y102 AromaticContact CE2-CD1 3.94Å; F57-Y102 HydrophobicContact CE2-CD1 3.94Å; F57-Y102 AromaticContact CE2-CG 3.84Å; F57-Y102 HydrophobicContact CE2-CG 3.84Å; F57-Y102 AromaticContact CG-CD1 3.61Å; F57-Y102 HydrophobicContact CG-CD1 3.61Å; F57-Y102 AromaticContact CG-CE1 3.84Å; F57-Y102 HydrophobicContact CG-CE1 3.84Å; F57-Y102 HydrophobicContact CG-CG 4.25Å; Y102-P104 HydrophobicContact CD1-CB 4.49Å; Y102-P104 HydrophobicContact CE1-CB 3.65Å; Y102-P104 HydrophobicContact CE1-CG 4.27Å; Y102-P104 WeakPolarHBondContact O-CD 3.39Å
103	V	66.6	Low	70.7	Confident	116 Å²	116	111.4 Å²	111.4	70%	0.703	57%	0.573	S	S	*	*			trans	-97.8	108.9	169	-178.7	0	0	0	0	107.4	N101 K105	N101-V103 PolarHBondContact O-N 3.18Å; V103-K105 PolarHBondContact O-N 2.66Å
104	P	67.3	Low	70.2	Confident	83 Å²	83	112.4 Å²	112.4	54%	0.539	59%	0.589	S	S	.	*			trans	-60.4	110.5	177.5	21.7	-31.4	0	0	0	110	Y102 K106	Y102-P104 HydrophobicContact CD1-CB 4.49Å; Y102-P104 HydrophobicContact CE1-CB 3.65Å; Y102-P104 HydrophobicContact CE1-CG 4.27Å; Y102-P104 WeakPolarHBondContact O-CD 3.39Å; P104-K106 PolarHBondContact O-N 3.26Å
105	K	64	Low	69.5	Low	123 Å²	123	119.7 Å²	119.7	54%	0.535	61%	0.608	S	S	.	*			trans	-57.8	124.2	171.4	-68.5	174.1	-171.4	161.7	0	107.3	D54 V103 K107	D54-K105 VanDerWaalsContact OD1-CD 3.24Å; D54-K105 WeakPolarHBondContact OD1-CD 3.49Å; D54-K105 IonicContact OD1-NZ 2.93Å; D54-K105 PolarHBondContact OD1-NZ 2.86Å; D54-K105 WeakPolarHBondContact OD2-CD 3.32Å; D54-K105 WeakPolarHBondContact OD2-CE 3.38Å; D54-K105 IonicContact OD2-NZ 3.23Å; D54-K105 PolarHBondContact OD2-NZ 3.01Å; V103-K105 PolarHBondContact O-N 2.66Å; K105-K107 PolarHBondContact O-N 3.35Å
106	K	59.7	Low	68.8	Low	205 Å²	205	120.1 Å²	120.1	89%	0.891	63%	0.631	S	S	*	*			trans	-60.4	105	-179.5	-66.6	176.7	-179	175.5	0	108.2	P104 A108	P104-K106 PolarHBondContact O-N 3.26Å; K106-A108 PolarHBondContact O-N 3.44Å
107	K	63.4	Low	68.1	Low	165 Å²	165	124.5 Å²	124.5	72%	0.717	64%	0.64	S	S	*	*			trans	-41.8	114.6	-179.4	-70.8	-179.9	179.2	174.9	0	108.1	D56 K105 F109	D56-K107 IonicContact OD2-NZ 3.92Å; D56-K107 PolarHBondContact OD2-NZ 2.79Å; K105-K107 PolarHBondContact O-N 3.35Å; K107-F109 PolarHBondContact O-N 2.8Å; K107-F109 VanDerWaalsContact O-N 3.15Å
108	A	61.8	Low	67.7	Low	71 Å²	71	134.1 Å²	134.1	59%	0.587	67%	0.674	S	S	*	*			trans	-54.6	124	-163.5	0	0	0	0	0	109.9	K106 H110	K106-A108 PolarHBondContact O-N 3.44Å; A108-H110 PolarHBondContact O-N 3.31Å; A108-H110 PolarHBondContact O-ND1 2.99Å
109	F	63.4	Low	67.1	Low	184 Å²	184	139.7 Å²	139.7	81%	0.807	70%	0.701	S	S	*	*			trans	-67.7	107.3	-179.8	-177.2	-106.2	0	0	0	108.2	K107 P111	K107-F109 PolarHBondContact O-N 2.8Å; K107-F109 VanDerWaalsContact O-N 3.15Å; F109-P111 HydrophobicContact CD1-CB 4.35Å; F109-P111 HydrophobicContact CE1-CB 3.9Å; F109-P111 WeakPolarHBondContact O-CD 3.48Å
110	H	62.4	Low	67	Low	138 Å²	138	134.2 Å²	134.2	64%	0.639	69%	0.694	S	S	*	*			trans	-90.8	91.3	174.5	-72.5	75.7	0	0	0	108.1	A108	A108-H110 PolarHBondContact O-N 3.31Å; A108-H110 PolarHBondContact O-ND1 2.99Å
111	P	65.9	Low	66.4	Low	73 Å²	73	134.2 Å²	134.2	47%	0.474	71%	0.707	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.2	143	173.9	29.2	-36.9	0	0	0	109.3	F109	F109-P111 HydrophobicContact CD1-CB 4.35Å; F109-P111 HydrophobicContact CE1-CB 3.9Å; F109-P111 WeakPolarHBondContact O-CD 3.48Å
112	F	64.4	Low	65.5	Low	199 Å²	199	135.9 Å²	135.9	87%	0.873	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.8	30.7	178.5	-39.2	-72.1	0	0	0	116	G114	F112-G114 PolarHBondContact O-N 3.19Å
113	S	68.3	Low	64.8	Low	112 Å²	112	137.8 Å²	137.8	78%	0.783	75%	0.748	S	S	*	*			trans	-63.8	11.6	166.6	59.9	0	0	0	0	115.3
114	G	72.8	Confident	64.1	Low	60 Å²	60	137.8 Å²	137.8	62%	0.619	75%	0.75	S	S	*	*	S	Bend	trans	-87.8	153.1	175.8	0	0	0	0	0	112.7	F112 G116	F112-G114 PolarHBondContact O-N 3.19Å; G114-G116 PolarHBondContact O-N 2.95Å; G114-G116 VanDerWaalsContact O-N 3.08Å
115	R	72.4	Confident	63.5	Low	238 Å²	238	145 Å²	145	90%	0.898	77%	0.767	S	S	*	*			trans	-62.6	110.1	176.2	-82.6	179.7	-83.9	-156.3	-9.3	111.4	Y117	R115-Y117 PolarHBondContact O-N 2.84Å
116	G	72.4	Confident	62.7	Low	79 Å²	79	146 Å²	146	81%	0.814	78%	0.782	S	S	*	*			trans	-68.6	124.9	174.8	0	0	0	0	0	112.5	G114	G114-G116 PolarHBondContact O-N 2.95Å; G114-G116 VanDerWaalsContact O-N 3.08Å
117	Y	71.1	Confident	62.2	Low	203 Å²	203	141.9 Å²	141.9	80%	0.796	77%	0.774	S	S	*	*			trans	-90.3	121.3	173.4	-89.4	-98.9	0	0	0	110.9	R115 L119	R115-Y117 PolarHBondContact O-N 2.84Å; Y117-L119 PolarHBondContact O-N 2.88Å
118	R	73.4	Confident	61.4	Low	246 Å²	246	138.6 Å²	138.6	93%	0.928	78%	0.778	S	S	*	*			trans	-75	108.6	171.1	-84.2	-179.2	164.4	162.6	-4.4	110.5	G120	R118-G120 PolarHBondContact O-N 2.81Å
119	L	62.7	Low	60.5	Low	177 Å²	177	145.6 Å²	145.6	93%	0.927	79%	0.789	S	S	*	*	S	Bend	trans	-73.6	105.7	163.2	-111.8	70.1	0	0	0	108.8	Y117	Y117-L119 PolarHBondContact O-N 2.88Å
120	G	68.1	Low	59.5	Low	72 Å²	72	141.5 Å²	141.5	74%	0.742	78%	0.784	S	S	*	*			trans	170.3	2.4	179	0	0	0	0	0	118	R118	R118-G120 PolarHBondContact O-N 2.81Å
121	S	56.1	Low	58.6	Low	111 Å²	111	140.7 Å²	140.7	78%	0.776	79%	0.791	S	S	*	*	S	Bend	trans	-149.2	108.3	-179.5	-54.5	0	0	0	0	111.8
122	V	51.1	Low	57.3	Low	143 Å²	143	142 Å²	142	87%	0.867	80%	0.801	S	S	*	*	S	Bend	trans	45.4	134.9	171.1	-63.8	0	0	0	0	118.6
123	A	54.5	Low	56	Low	95 Å²	95	138.1 Å²	138.1	79%	0.785	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-55.7	128.8	-169.5	0	0	0	0	0	113.4	R125	A123-R125 PolarHBondContact O-N 2.88Å
124	P	50.9	Low	54.8	Low	116 Å²	116	140.8 Å²	140.8	75%	0.753	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-66.7	135.7	177.8	28.1	-34.2	0	0	0	110.2	V126	P124-V126 PolarHBondContact O-N 3.08Å
125	R	55.5	Low	53.6	Low	236 Å²	236	146.9 Å²	146.9	89%	0.891	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-63.7	125.6	172.5	-63.7	-179.8	178.8	-171.6	-1.4	108.6	A123 V127	A123-R125 PolarHBondContact O-N 2.88Å; R125-V127 PolarHBondContact O-N 2.75Å
126	V	46.2	Very low	52.2	Low	142 Å²	142	143 Å²	143	86%	0.861	80%	0.803	S	S	*	*			trans	-74.1	79.4	-179.4	-174.7	0	0	0	0	110	P124 A128	P124-V126 PolarHBondContact O-N 3.08Å; V126-A128 PolarHBondContact O-N 2.95Å
127	V	48.8	Very low	50.7	Low	119 Å²	119	141.6 Å²	141.6	72%	0.721	79%	0.789	S	S	*	*			trans	-76.3	110	152.2	-81.1	0	0	0	0	107.2	R125 R129	R125-V127 PolarHBondContact O-N 2.75Å; V127-R129 PolarHBondContact O-N 3.19Å
128	A	46.5	Very low	49.7	Very low	96 Å²	96	139.8 Å²	139.8	79%	0.793	79%	0.787	S	S	*	*			trans	-68.2	83.3	175.1	0	0	0	0	0	109.6	V126 S130	V126-A128 PolarHBondContact O-N 2.95Å; A128-S130 PolarHBondContact O-N 3.32Å
129	R	42.5	Very low	48.5	Very low	218 Å²	218	130.5 Å²	130.5	82%	0.823	76%	0.76	S	S	*	*			trans	-65.1	115.9	167.2	-65.3	-173.9	70.9	-179	1.9	107	V127	V127-R129 PolarHBondContact O-N 3.19Å
130	S	44.4	Very low	48.2	Very low	99 Å²	99	123.3 Å²	123.3	69%	0.692	72%	0.724	S	S	*	*			trans	-50.8	150.5	169.8	38.5	0	0	0	0	110.5	A128 S132	A128-S130 PolarHBondContact O-N 3.32Å; S130-S132 PolarHBondContact O-N 2.94Å
131	P	42.4	Very low	47.8	Very low	121 Å²	121	125.6 Å²	125.6	79%	0.786	73%	0.726	S	S	*	*			trans	-55.5	129.6	170.4	25.6	-33.8	0	0	0	108.4	V133	P131-V133 PolarHBondContact O-N 2.62Å
132	S	37.8	Very low	48	Very low	99 Å²	99	125.1 Å²	125.1	69%	0.692	71%	0.713	S	S	*	*			trans	-68.1	94.8	-178.4	50.2	0	0	0	0	109.9	S130 H134	S130-S132 PolarHBondContact O-N 2.94Å; S132-H134 PolarHBondContact O-N 2.9Å
133	V	39	Very low	48.6	Very low	118 Å²	118	119.8 Å²	119.8	72%	0.715	68%	0.681	S	S	*	*			trans	-57.7	120.2	159.6	179.6	0	0	0	0	106.3	P131 E135	P131-V133 PolarHBondContact O-N 2.62Å; V133-E135 VanDerWaalsContact C-N 3.3Å; V133-E135 HydrophobicContact CG1-CG 3.74Å; V133-E135 PolarHBondContact O-N 3.36Å; V133-E135 VanDerWaalsContact O-N 3.1Å
134	H	42.6	Very low	49	Very low	169 Å²	169	124 Å²	124	78%	0.782	69%	0.687	S	S	*	*			trans	-75.1	93	163.8	-76.5	-108.4	0	0	0	106.5	S132 D136	S132-H134 PolarHBondContact O-N 2.9Å; H134-D136 PolarHBondContact O-N 3.25Å
135	E	46.8	Very low	50	Low	188 Å²	188	119.4 Å²	119.4	88%	0.879	66%	0.657	S	S	*	*			trans	-76.8	77.6	166.5	-71.4	-163.3	95.4	0	0	109.3	V133	V133-E135 VanDerWaalsContact C-N 3.3Å; V133-E135 HydrophobicContact CG1-CG 3.74Å; V133-E135 PolarHBondContact O-N 3.36Å; V133-E135 VanDerWaalsContact O-N 3.1Å
136	D	42.8	Very low	51	Low	156 Å²	156	113.9 Å²	113.9	83%	0.834	65%	0.65	S	S	*	*			trans	-147.6	147.8	145.7	-170.8	-122.6	0	0	0	108.6	H134	H134-D136 PolarHBondContact O-N 3.25Å
137	G	41.5	Very low	52.5	Low	50 Å²	50	109.5 Å²	109.5	52%	0.515	62%	0.621	S	S	.	*	S	Bend	trans	82.6	102.8	-173.5	0	0	0	0	0	113.7	S139	G137-S139 PolarHBondContact O-N 3.21Å; G137-S139 PolarHBondContact O-OG 3.14Å
138	E	49.6	Very low	54	Low	165 Å²	165	107.1 Å²	107.1	77%	0.771	61%	0.605	S	S	*	*			trans	-41.9	100.8	175.5	-164.6	-155.3	87.9	0	0	113	R188	E138-R188 PolarHBondContact O-NH1 2.73Å; E138-R188 IonicContact OE1-CZ 3.26Å; E138-R188 VanDerWaalsContact OE1-CZ 3.26Å; E138-R188 IonicContact OE1-NE 3.72Å; E138-R188 IonicContact OE1-NH1 2.76Å; E138-R188 PolarHBondContact OE1-NH1 2.68Å; E138-R188 IonicContact OE1-NH2 3.97Å
139	S	49.3	Very low	55.4	Low	50 Å²	50	110.4 Å²	110.4	35%	0.35	60%	0.603	S	S	.	*			trans	-140.8	149.9	176.5	59.4	0	0	0	0	112.3	G137 R164 R188	G137-S139 PolarHBondContact O-N 3.21Å; G137-S139 PolarHBondContact O-OG 3.14Å; S139-R164 PolarHBondContact OG-NH2 3.19Å; S139-R188 VanDerWaalsContact CA-NH2 3.26Å; S139-R188 PolarHBondContact O-NH2 2.87Å
140	P	56.3	Low	57.2	Low	27 Å²	27	105 Å²	105	18%	0.175	60%	0.598	C	S	.	*	P	Polyproline II helix	trans	-71	149.7	-175.9	29.9	-34.5	0	0	0	110.5	I142 C186 R188	P140-I142 PolarHBondContact O-N 3.24Å; P140-C186 WeakPolarHBondContact CG-O 3.43Å; P140-R188 HydrophobicContact CG-CG 4.35Å
141	P	58.3	Low	59	Low	120 Å²	120	103.7 Å²	103.7	78%	0.779	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-61.5	133.3	179.8	26.1	-34.3	0	0	0	110.4
142	I	61.4	Low	61.1	Low	101 Å²	101	101.4 Å²	101.4	52%	0.518	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-60.5	120.5	177.5	-57.3	175.1	0	0	0	107.8	P140 L166 F182	P140-I142 PolarHBondContact O-N 3.24Å; I142-L166 HydrophobicContact CD1-CD2 4.22Å; I142-F182 HydrophobicContact CG2-CE2 3.8Å; I142-F182 HydrophobicContact CG2-CZ 3.71Å
143	P	63.4	Low	63.5	Low	30 Å²	30	98.5 Å²	98.5	20%	0.195	55%	0.547	C	S	.	.	P	Polyproline II helix	trans	-69.1	136.5	-174.9	31	-37.2	0	0	0	110.2	V145 F182 R185 C186	P143-V145 PolarHBondContact O-N 2.88Å; P143-F182 HydrophobicContact CG-CD2 3.6Å; P143-F182 HydrophobicContact CG-CE2 3.83Å; P143-F182 HydrophobicContact CG-CG 4.39Å; P143-F182 WeakPolarHBondContact O-CE2 3.48Å; P143-R185 HydrophobicContact CB-CB 4.22Å; P143-R185 HydrophobicContact CG-CB 3.78Å; P143-C186 WeakPolarHBondContact CD-SG 3.32Å
144	M	62.4	Low	65.9	Low	183 Å²	183	93 Å²	93	90%	0.901	51%	0.514	S	S	*	.			trans	-70.7	112.7	177.5	-176.3	176	174.1	0	0	110.2
145	V	73.4	Confident	68.2	Low	20 Å²	20	86.8 Å²	86.8	12%	0.121	49%	0.489	C	S	.	.			trans	-71.3	132	169.5	177.9	0	0	0	0	109.4	P143 L147 Q168 F170 F182	P143-V145 PolarHBondContact O-N 2.88Å; V145-L147 HydrophobicContact CG1-CD2 4.17Å; V145-L147 PolarHBondContact O-N 2.79Å; V145-Q168 HydrophobicContact CG2-CG 3.79Å; V145-F170 HydrophobicContact CB-CE1 4.48Å; V145-F170 HydrophobicContact CG1-CD1 3.66Å; V145-F170 HydrophobicContact CG1-CE1 3.9Å; V145-F170 HydrophobicContact CG1-CG 4.43Å; V145-F170 HydrophobicContact CG2-CD1 4.26Å; V145-F170 HydrophobicContact CG2-CE1 3.7Å; V145-F170 HydrophobicContact CG2-CZ 4.02Å; V145-F182 HydrophobicContact CG2-CD2 3.51Å; V145-F182 HydrophobicContact CG2-CE2 3.89Å; V145-F182 HydrophobicContact CG2-CG 4.41Å
146	T	74.7	Confident	70.2	Confident	120 Å²	120	77.8 Å²	77.8	74%	0.736	45%	0.447	S	S	*	.			trans	-71	97.1	174.7	-51.5	0	0	0	0	110.2	H174	T146-H174 PolarHBondContact O-CE1 2.96Å; T146-H174 PolarHBondContact O-NE2 3.27Å
147	L	78.8	Confident	72.6	Confident	50 Å²	50	73.7 Å²	73.7	26%	0.262	42%	0.422	S	S	.	.			trans	-88.2	143	175.3	-65.3	177.8	0	0	0	111.1	V145 V153 R169 N171	V145-L147 HydrophobicContact CG1-CD2 4.17Å; V145-L147 PolarHBondContact O-N 2.79Å; L147-V153 HydrophobicContact CD2-CG1 4.48Å; L147-R169 HydrophobicContact CD1-CB 3.83Å; L147-R169 HydrophobicContact CD2-CB 4.38Å; L147-N171 WeakPolarHBondContact CD2-OD1 3.31Å
148	D	79.1	Confident	74.9	Confident	70 Å²	70	71.3 Å²	71.3	37%	0.374	40%	0.398	S	S	.	.			trans	-114.3	127.2	171.2	-173.1	-78.5	0	0	0	108.5	S150 L151 N171	D148-S150 VanDerWaalsContact C-N 3.32Å; D148-S150 WeakPolarHBondContact OD1-CA 3.45Å; D148-S150 VanDerWaalsContact OD1-CB 3.3Å; D148-S150 WeakPolarHBondContact OD1-CB 3.41Å; D148-S150 PolarHBondContact OD1-N 3.39Å; D148-S150 PolarHBondContact OD1-OG 3.04Å; D148-L151 HydrophobicContact CB-CD1 4.3Å; D148-L151 HydrophobicContact CB-CG 4.42Å; D148-L151 PolarHBondContact OD1-N 3.03Å; D148-N171 WeakPolarHBondContact CB-ND2 3.5Å; D148-N171 PolarHBondContact N-ND2 3.1Å; D148-N171 VanDerWaalsContact N-ND2 3.14Å; D148-N171 PolarHBondContact N-OD1 3.41Å; D148-N171 PolarHBondContact O-OD1 3.07Å
149	H	76.1	Confident	76.9	Confident	164 Å²	164	68.4 Å²	68.4	76%	0.759	38%	0.38	S	S	*	.	S	Bend	trans	-85.1	-2.2	-173.9	-63.2	-48.1	0	0	0	114.1
150	S	81.3	Confident	78.8	Confident	104 Å²	104	66.4 Å²	66.4	73%	0.727	37%	0.365	S	S	*	.	S	Bend	trans	-91.5	-21.1	171	75.7	0	0	0	0	113.1	D148	D148-S150 VanDerWaalsContact C-N 3.32Å; D148-S150 WeakPolarHBondContact OD1-CA 3.45Å; D148-S150 VanDerWaalsContact OD1-CB 3.3Å; D148-S150 WeakPolarHBondContact OD1-CB 3.41Å; D148-S150 PolarHBondContact OD1-N 3.39Å; D148-S150 PolarHBondContact OD1-OG 3.04Å
151	L	82.3	Confident	80.2	Confident	73 Å²	73	67.4 Å²	67.4	38%	0.382	38%	0.376	S	S	.	.	S	Bend	trans	-90.8	153.7	177.2	-65.7	179.5	0	0	0	112.3	D148 V153 N171	D148-L151 HydrophobicContact CB-CD1 4.3Å; D148-L151 HydrophobicContact CB-CG 4.42Å; D148-L151 PolarHBondContact OD1-N 3.03Å; L151-V153 PolarHBondContact O-N 3.08Å; L151-N171 HydrophobicContact CB-CB 4.12Å; L151-N171 HydrophobicContact CD1-CB 4.4Å
152	P	86.2	Confident	81.2	Confident	72 Å²	72	66.9 Å²	66.9	47%	0.468	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-64.7	123.1	175.4	25.7	-33.7	0	0	0	111.3	N171 L172	P152-N171 CarbonylContact O-C 3.59Å; P152-N171 WeakPolarHBondContact O-CA 3.47Å; P152-L172 HydrophobicContact CB-CD1 3.9Å; P152-L172 HydrophobicContact CB-CG 4.35Å; P152-L172 HydrophobicContact CG-CB 4.24Å; P152-L172 HydrophobicContact CG-CD1 3.91Å; P152-L172 HydrophobicContact CG-CG 4.33Å; P152-L172 PolarHBondContact O-N 3Å
153	V	88.9	Confident	82.1	Confident	39 Å²	39	64.8 Å²	64.8	24%	0.236	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.5	-178.2	-179.1	0	0	0	0	111	L147 L151 R169 F170	L147-V153 HydrophobicContact CD2-CG1 4.48Å; L151-V153 PolarHBondContact O-N 3.08Å; V153-R169 HydrophobicContact CG1-CB 4.04Å; V153-F170 CarbonylContact C-O 3.59Å; V153-F170 WeakPolarHBondContact CA-O 3.4Å
154	T	88.7	Confident	83.2	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.018	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	168.7	170.1	-157.6	0	0	0	0	112.3	L156 R169 F170 L172 L211 H218	T154-L156 HydrophobicContact CG2-CD2 4.03Å; T154-L156 HydrophobicContact CG2-CG 4.33Å; T154-R169 VanDerWaalsContact O-CA 3.3Å; T154-R169 WeakPolarHBondContact O-CA 3.43Å; T154-F170 PolarHBondContact N-O 2.85Å; T154-F170 PolarHBondContact O-N 3.29Å; T154-L172 HydrophobicContact CG2-CD2 3.9Å; T154-L211 HydrophobicContact CG2-CD1 4.16Å; T154-H218 PolarHBondContact OG1-N 3.29Å
155	S	90.1	Very high	84.4	Confident	37 Å²	37	65.9 Å²	65.9	26%	0.259	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	102.4	-178.4	-59.8	0	0	0	0	109.9	H218	S155-H218 WeakPolarHBondContact O-CA 3.34Å
156	L	90.6	Very high	85.1	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	136.6	-179	-55.9	-178.8	0	0	0	110.6	T154 I158 V167 Q168 F170 V179 L211 L216 I221	T154-L156 HydrophobicContact CG2-CD2 4.03Å; T154-L156 HydrophobicContact CG2-CG 4.33Å; L156-I158 HydrophobicContact CB-CG1 4.28Å; L156-V167 WeakPolarHBondContact O-CA 3.39Å; L156-Q168 PolarHBondContact N-O 3.04Å; L156-Q168 PolarHBondContact O-N 2.98Å; L156-F170 HydrophobicContact CB-CD2 4.38Å; L156-F170 HydrophobicContact CD1-CD2 3.54Å; L156-F170 HydrophobicContact CD1-CE2 3.8Å; L156-F170 HydrophobicContact CD1-CG 4.34Å; L156-F170 HydrophobicContact CG-CD2 3.91Å; L156-F170 HydrophobicContact CG-CE2 4.39Å; L156-V179 HydrophobicContact CD1-CG1 4.31Å; L156-V179 HydrophobicContact CD1-CG2 3.81Å; L156-L211 HydrophobicContact CD1-CD1 3.97Å; L156-L211 HydrophobicContact CD1-CD2 4.15Å; L156-L216 HydrophobicContact CD2-CB 4.31Å; L156-L216 WeakPolarHBondContact CD2-O 3.35Å; L156-I221 HydrophobicContact CD1-CD1 3.86Å; L156-I221 HydrophobicContact CD2-CD1 4.41Å
157	Q	91.5	Very high	85.8	Confident	69 Å²	69	64.3 Å²	64.3	32%	0.322	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116.5	167.8	-58.2	-172.1	35.3	0	0	108.5	V167 A219 V220 I221	Q157-V167 HydrophobicContact CG-CG2 4.3Å; Q157-A219 PolarHBondContact N-O 2.84Å; Q157-A219 VanDerWaalsContact N-O 3.1Å; Q157-V220 HydrophobicContact CB-CG1 4.49Å; Q157-V220 HydrophobicContact CB-CG2 4.23Å; Q157-V220 WeakPolarHBondContact O-CA 3.44Å; Q157-I221 PolarHBondContact O-N 2.98Å
158	I	91.5	Very high	86.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	115.5	-174.2	-56.8	166.6	0	0	0	109.2	L156 L160 R165 L166 Q168 F170 V179 F182 V183 I221	L156-I158 HydrophobicContact CB-CG1 4.28Å; I158-L160 HydrophobicContact CG2-CD2 4.13Å; I158-R165 CarbonylContact O-C 3.6Å; I158-R165 WeakPolarHBondContact O-CA 3.32Å; I158-L166 HydrophobicContact CB-CB 4.46Å; I158-L166 PolarHBondContact N-O 2.74Å; I158-L166 PolarHBondContact O-N 3.38Å; I158-Q168 HydrophobicContact CD1-CB 4.46Å; I158-F170 HydrophobicContact CD1-CE2 4.3Å; I158-V179 HydrophobicContact CD1-CG1 3.97Å; I158-F182 HydrophobicContact CD1-CD1 3.95Å; I158-F182 HydrophobicContact CD1-CE1 3.94Å; I158-V183 HydrophobicContact CD1-CG2 4.33Å; I158-V183 HydrophobicContact CG2-CG2 3.72Å; I158-I221 CarbonylContact C-O 3.54Å; I158-I221 WeakPolarHBondContact CA-O 3.46Å; I158-I221 HydrophobicContact CG1-CB 4.5Å
159	W	91.3	Very high	86.7	Confident	104 Å²	104	66.3 Å²	66.3	39%	0.394	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	119.1	171.4	-60.4	80.2	0	0	0	108.9	R165 V220 I221 V222 Q223	W159-R165 HydrophobicContact CD2-CB 4.2Å; W159-R165 HydrophobicContact CD2-CG 4.05Å; W159-R165 HydrophobicContact CE3-CB 4.01Å; W159-R165 HydrophobicContact CE3-CG 4.34Å; W159-R165 HydrophobicContact CG-CG 4.47Å; W159-R165 HydrophobicContact CZ2-CG 4.34Å; W159-R165 HydrophobicContact CZ3-CB 4.23Å; W159-V220 VanDerWaalsContact CD1-CG1 3.44Å; W159-I221 PolarHBondContact N-O 3.33Å; W159-V222 HydrophobicContact CB-CG1 4.36Å; W159-V222 HydrophobicContact CB-CG2 4.28Å; W159-V222 HydrophobicContact CG-CG2 4.41Å; W159-Q223 WeakPolarHBondContact O-CB 3.4Å; W159-Q223 PolarHBondContact O-N 2.8Å
160	L	89.6	Confident	87.2	Confident	8 Å²	8	58.5 Å²	58.5	4%	0.042	31%	0.314	C	S	.	.			trans	-82.3	158.2	177	-59.5	-178.4	0	0	0	111.1	I158 D162 G163 R164 L166 V183 Q187 Q223	I158-L160 HydrophobicContact CG2-CD2 4.13Å; L160-D162 HydrophobicContact CB-CB 4.27Å; L160-D162 PolarHBondContact O-N 3.19Å; L160-G163 PolarHBondContact O-N 2.85Å; L160-R164 WeakPolarHBondContact CB-O 3.49Å; L160-R164 HydrophobicContact CD1-CB 4.31Å; L160-R164 PolarHBondContact N-O 2.78Å; L160-L166 HydrophobicContact CD1-CD1 3.95Å; L160-L166 HydrophobicContact CD1-CG 4.17Å; L160-L166 HydrophobicContact CD2-CD1 4.42Å; L160-L166 HydrophobicContact CG-CD1 4.37Å; L160-L166 HydrophobicContact CG-CG 4.45Å; L160-V183 HydrophobicContact CD2-CG1 3.99Å; L160-V183 HydrophobicContact CD2-CG2 4.34Å; L160-Q187 HydrophobicContact CD1-CG 4.39Å; L160-Q223 VanDerWaalsContact CA-OE1 3.25Å
161	A	84.8	Confident	87.7	Confident	48 Å²	48	54 Å²	54	40%	0.397	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.2	173	0	0	0	0	0	112.5	G163 Q223 P225	A161-G163 PolarHBondContact O-N 3.4Å; A161-Q223 HydrophobicContact CB-CG 4.34Å; A161-P225 HydrophobicContact CB-CG 4.24Å
162	D	80.1	Confident	87.9	Confident	109 Å²	109	52.3 Å²	52.3	58%	0.583	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	3.8	172.1	-166.8	-131.8	0	0	0	113.6	L160 R164	L160-D162 HydrophobicContact CB-CB 4.27Å; L160-D162 PolarHBondContact O-N 3.19Å; D162-R164 PolarHBondContact O-N 2.99Å; D162-R164 WeakPolarHBondContact OD1-CD 3.44Å; D162-R164 WeakPolarHBondContact OD1-CG 3.47Å
163	G	80.2	Confident	88	Confident	57 Å²	57	51.8 Å²	51.8	59%	0.588	27%	0.27	S	S	*	.	S	Bend	trans	74.6	-17.4	-176.7	0	0	0	0	0	115	L160 A161	L160-G163 PolarHBondContact O-N 2.85Å; A161-G163 PolarHBondContact O-N 3.4Å
164	R	85.5	Confident	88	Confident	93 Å²	93	51.2 Å²	51.2	35%	0.351	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-63	134.3	174.4	-66.1	173.6	77.9	-157.7	11.8	111.3	S139 L160 D162	S139-R164 PolarHBondContact OG-NH2 3.19Å; L160-R164 WeakPolarHBondContact CB-O 3.49Å; L160-R164 HydrophobicContact CD1-CB 4.31Å; L160-R164 PolarHBondContact N-O 2.78Å; D162-R164 PolarHBondContact O-N 2.99Å; D162-R164 WeakPolarHBondContact OD1-CD 3.44Å; D162-R164 WeakPolarHBondContact OD1-CG 3.47Å
165	R	88.2	Confident	88.1	Confident	143 Å²	143	56.1 Å²	56.1	54%	0.54	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.9	172.2	-175.3	-172	65.8	-179.9	-5.8	110.7	I158 W159	I158-R165 CarbonylContact O-C 3.6Å; I158-R165 WeakPolarHBondContact O-CA 3.32Å; W159-R165 HydrophobicContact CD2-CB 4.2Å; W159-R165 HydrophobicContact CD2-CG 4.05Å; W159-R165 HydrophobicContact CE3-CB 4.01Å; W159-R165 HydrophobicContact CE3-CG 4.34Å; W159-R165 HydrophobicContact CG-CG 4.47Å; W159-R165 HydrophobicContact CZ2-CG 4.34Å; W159-R165 HydrophobicContact CZ3-CB 4.23Å
166	L	87.6	Confident	88.1	Confident	17 Å²	17	54.5 Å²	54.5	9%	0.089	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	154.1	168.8	-58.5	-178.9	0	0	0	110.5	I142 I158 L160 F182 C186	I142-L166 HydrophobicContact CD1-CD2 4.22Å; I158-L166 HydrophobicContact CB-CB 4.46Å; I158-L166 PolarHBondContact N-O 2.74Å; I158-L166 PolarHBondContact O-N 3.38Å; L160-L166 HydrophobicContact CD1-CD1 3.95Å; L160-L166 HydrophobicContact CD1-CG 4.17Å; L160-L166 HydrophobicContact CD2-CD1 4.42Å; L160-L166 HydrophobicContact CG-CD1 4.37Å; L160-L166 HydrophobicContact CG-CG 4.45Å; L166-F182 HydrophobicContact CD1-CE1 3.94Å; L166-F182 HydrophobicContact CD1-CZ 4.35Å; L166-C186 HydrophobicContact CD1-CB 3.81Å; L166-C186 WeakPolarHBondContact CD1-SG 3.38Å
167	V	89.2	Confident	88	Confident	91 Å²	91	56.5 Å²	56.5	55%	0.552	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	114	169	-177.4	0	0	0	0	107.3	L156 Q157	L156-V167 WeakPolarHBondContact O-CA 3.39Å; Q157-V167 HydrophobicContact CG-CG2 4.3Å
168	Q	87.2	Confident	87.9	Confident	32 Å²	32	56.3 Å²	56.3	15%	0.15	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.4	-172.6	-179.7	56.5	45.6	0	0	110.7	V145 L156 I158 F170 F182	V145-Q168 HydrophobicContact CG2-CG 3.79Å; L156-Q168 PolarHBondContact N-O 3.04Å; L156-Q168 PolarHBondContact O-N 2.98Å; I158-Q168 HydrophobicContact CD1-CB 4.46Å; Q168-F170 HydrophobicContact CB-CD2 4.4Å; Q168-F170 HydrophobicContact CB-CE2 3.73Å; Q168-F170 HydrophobicContact CB-CZ 4.37Å; Q168-F170 HydrophobicContact CG-CD2 3.96Å; Q168-F170 HydrophobicContact CG-CE1 4.49Å; Q168-F170 HydrophobicContact CG-CE2 3.34Å; Q168-F170 HydrophobicContact CG-CZ 3.65Å; Q168-F182 HydrophobicContact CB-CE1 3.87Å; Q168-F182 HydrophobicContact CB-CE2 4.24Å; Q168-F182 HydrophobicContact CB-CZ 3.64Å; Q168-F182 HydrophobicContact CG-CD1 4.49Å; Q168-F182 HydrophobicContact CG-CD2 4.09Å; Q168-F182 HydrophobicContact CG-CE1 3.99Å; Q168-F182 HydrophobicContact CG-CE2 3.55Å; Q168-F182 HydrophobicContact CG-CZ 3.5Å; Q168-F182 VanDerWaalsContact CG-CZ 3.5Å
169	R	89.3	Confident	87.7	Confident	129 Å²	129	56.3 Å²	56.3	49%	0.487	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	143.4	175	-63.5	179.3	71.1	-175.1	1.1	110	L147 V153 T154	L147-R169 HydrophobicContact CD1-CB 3.83Å; L147-R169 HydrophobicContact CD2-CB 4.38Å; V153-R169 HydrophobicContact CG1-CB 4.04Å; T154-R169 VanDerWaalsContact O-CA 3.3Å; T154-R169 WeakPolarHBondContact O-CA 3.43Å
170	F	88.4	Confident	87.6	Confident	1 Å²	1	52.5 Å²	52.5	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	148.2	175.7	-67.4	-91.9	0	0	0	109.1	V145 V153 T154 L156 I158 Q168 H174 V179 F182 L211	V145-F170 HydrophobicContact CB-CE1 4.48Å; V145-F170 HydrophobicContact CG1-CD1 3.66Å; V145-F170 HydrophobicContact CG1-CE1 3.9Å; V145-F170 HydrophobicContact CG1-CG 4.43Å; V145-F170 HydrophobicContact CG2-CD1 4.26Å; V145-F170 HydrophobicContact CG2-CE1 3.7Å; V145-F170 HydrophobicContact CG2-CZ 4.02Å; V153-F170 CarbonylContact C-O 3.59Å; V153-F170 WeakPolarHBondContact CA-O 3.4Å; T154-F170 PolarHBondContact N-O 2.85Å; T154-F170 PolarHBondContact O-N 3.29Å; L156-F170 HydrophobicContact CB-CD2 4.38Å; L156-F170 HydrophobicContact CD1-CD2 3.54Å; L156-F170 HydrophobicContact CD1-CE2 3.8Å; L156-F170 HydrophobicContact CD1-CG 4.34Å; L156-F170 HydrophobicContact CG-CD2 3.91Å; L156-F170 HydrophobicContact CG-CE2 4.39Å; I158-F170 HydrophobicContact CD1-CE2 4.3Å; Q168-F170 HydrophobicContact CB-CD2 4.4Å; Q168-F170 HydrophobicContact CB-CE2 3.73Å; Q168-F170 HydrophobicContact CB-CZ 4.37Å; Q168-F170 HydrophobicContact CG-CD2 3.96Å; Q168-F170 HydrophobicContact CG-CE1 4.49Å; Q168-F170 HydrophobicContact CG-CE2 3.34Å; Q168-F170 HydrophobicContact CG-CZ 3.65Å; F170-H174 HydrophobicContact CB-CB 4.49Å; F170-H174 HydrophobicContact CD1-CB 4.38Å; F170-V179 HydrophobicContact CD1-CG2 4.4Å; F170-V179 HydrophobicContact CE1-CG2 4.06Å; F170-V179 HydrophobicContact CE2-CG2 4.21Å; F170-V179 HydrophobicContact CZ-CB 4.45Å; F170-V179 HydrophobicContact CZ-CG1 4.48Å; F170-V179 HydrophobicContact CZ-CG2 3.97Å; F170-F182 HydrophobicContact CE1-CB 4.46Å; F170-F182 HydrophobicContact CZ-CB 4.08Å; F170-F182 HydrophobicContact CZ-CD1 4.2Å; F170-F182 HydrophobicContact CZ-CD2 4.33Å; F170-F182 AromaticContact CZ-CG 3.94Å; F170-F182 HydrophobicContact CZ-CG 3.94Å; F170-L211 HydrophobicContact CB-CD1 3.58Å; F170-L211 HydrophobicContact CG-CD1 4.15Å
171	N	90.7	Very high	87.5	Confident	10 Å²	10	55.7 Å²	55.7	5%	0.053	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	145.1	164.1	-43.6	-19.4	0	0	0	108.6	L147 D148 L151 P152 S173 H174	L147-N171 WeakPolarHBondContact CD2-OD1 3.31Å; D148-N171 WeakPolarHBondContact CB-ND2 3.5Å; D148-N171 PolarHBondContact N-ND2 3.1Å; D148-N171 VanDerWaalsContact N-ND2 3.14Å; D148-N171 PolarHBondContact N-OD1 3.41Å; D148-N171 PolarHBondContact O-OD1 3.07Å; L151-N171 HydrophobicContact CB-CB 4.12Å; L151-N171 HydrophobicContact CD1-CB 4.4Å; P152-N171 CarbonylContact O-C 3.59Å; P152-N171 WeakPolarHBondContact O-CA 3.47Å; N171-S173 PolarHBondContact O-N 2.81Å; N171-S173 VanDerWaalsContact O-N 3.14Å; N171-H174 WeakPolarHBondContact CB-ND1 3.12Å; N171-H174 PolarHBondContact N-ND1 3.06Å; N171-H174 WeakPolarHBondContact O-CB 3.33Å; N171-H174 PolarHBondContact O-N 3.06Å; N171-H174 PolarHBondContact O-ND1 3Å
172	L	87.1	Confident	87.6	Confident	36 Å²	36	53.7 Å²	53.7	19%	0.188	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-31.1	179.1	-74.5	178.6	0	0	0	113.6	P152 T154 H174 L211 E212	P152-L172 HydrophobicContact CB-CD1 3.9Å; P152-L172 HydrophobicContact CB-CG 4.35Å; P152-L172 HydrophobicContact CG-CB 4.24Å; P152-L172 HydrophobicContact CG-CD1 3.91Å; P152-L172 HydrophobicContact CG-CG 4.33Å; P152-L172 PolarHBondContact O-N 3Å; T154-L172 HydrophobicContact CG2-CD2 3.9Å; L172-H174 PolarHBondContact O-N 3.15Å; L172-L211 HydrophobicContact CD2-CB 4.47Å; L172-L211 WeakPolarHBondContact O-CA 3.13Å; L172-L211 WeakPolarHBondContact O-CB 3.27Å; L172-L211 PolarHBondContact O-N 2.92Å; L172-E212 HydrophobicContact CB-CB 4.11Å; L172-E212 HydrophobicContact CB-CG 4.42Å; L172-E212 PolarHBondContact O-N 2.86Å
173	S	87	Confident	88	Confident	61 Å²	61	48.5 Å²	48.5	43%	0.427	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	6	179.4	-37.6	0	0	0	0	114.3	N171 E212	N171-S173 PolarHBondContact O-N 2.81Å; N171-S173 VanDerWaalsContact O-N 3.14Å; S173-E212 PolarHBondContact OG-OE1 2.59Å
174	H	89.3	Confident	88.2	Confident	28 Å²	28	47.5 Å²	47.5	13%	0.13	23%	0.231	C	C	.	.	S	Bend	trans	-68.7	158.2	162.6	-76.3	81.7	0	0	0	110.4	T146 F170 N171 L172 D178 S210 L211	T146-H174 PolarHBondContact O-CE1 2.96Å; T146-H174 PolarHBondContact O-NE2 3.27Å; F170-H174 HydrophobicContact CB-CB 4.49Å; F170-H174 HydrophobicContact CD1-CB 4.38Å; N171-H174 WeakPolarHBondContact CB-ND1 3.12Å; N171-H174 PolarHBondContact N-ND1 3.06Å; N171-H174 WeakPolarHBondContact O-CB 3.33Å; N171-H174 PolarHBondContact O-N 3.06Å; N171-H174 PolarHBondContact O-ND1 3Å; L172-H174 PolarHBondContact O-N 3.15Å; H174-D178 IonicContact CD2-OD2 2.71Å; H174-S210 CarbonylContact O-C 3.56Å; H174-S210 VanDerWaalsContact O-CA 3.27Å; H174-S210 WeakPolarHBondContact O-CA 3.39Å; H174-L211 HydrophobicContact CB-CD1 4.15Å; H174-L211 HydrophobicContact CB-CG 4.47Å; H174-L211 PolarHBondContact O-N 3.42Å
175	R	91.4	Very high	88.1	Confident	106 Å²	106	50 Å²	50	40%	0.4	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-98.9	160.5	178.8	-68.7	173.2	157.7	-150	-14	111.8	S177 D178 E208 L209	R175-S177 VanDerWaalsContact CB-OG 3.29Å; R175-S177 WeakPolarHBondContact CB-OG 2.92Å; R175-S177 PolarHBondContact O-N 3.47Å; R175-D178 WeakPolarHBondContact CB-OD2 3.45Å; R175-D178 PolarHBondContact N-OD2 3.15Å; R175-D178 PolarHBondContact O-N 3.48Å; R175-E208 IonicContact CZ-OE1 3.19Å; R175-E208 VanDerWaalsContact CZ-OE1 3.23Å; R175-E208 PolarHBondContact NE-O 3.13Å; R175-E208 IonicContact NH1-OE1 3.74Å; R175-E208 PolarHBondContact NH1-OE1 3.1Å; R175-E208 IonicContact NH2-OE1 3.03Å; R175-E208 PolarHBondContact NH2-OE1 3.48Å; R175-L209 WeakPolarHBondContact CA-O 3.3Å
176	I	90.2	Very high	87.7	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-57.3	-29.3	170.2	-68.6	174.8	0	0	0	111.2	D178 V179 Q180 L204 L209 A214 L216	I176-D178 PolarHBondContact O-N 3.16Å; I176-V179 PolarHBondContact O-N 2.87Å; I176-Q180 HydrophobicContact CG2-CG 4.5Å; I176-Q180 WeakPolarHBondContact O-CG 3.38Å; I176-Q180 PolarHBondContact O-N 3.01Å; I176-L204 HydrophobicContact CD1-CB 4.18Å; I176-L204 HydrophobicContact CD1-CD2 4.09Å; I176-L204 HydrophobicContact CG2-CB 4.09Å; I176-L209 HydrophobicContact CD1-CB 4.11Å; I176-L209 HydrophobicContact CD1-CD2 4.4Å; I176-L209 PolarHBondContact N-O 2.9Å; I176-A214 HydrophobicContact CD1-CB 4Å; I176-L216 HydrophobicContact CD1-CD1 4.31Å; I176-L216 HydrophobicContact CG1-CD1 4.19Å
177	S	88.9	Confident	87.3	Confident	41 Å²	41	44 Å²	44	29%	0.287	22%	0.219	S	C	.	.	H	α-helix	trans	-57.4	-40.9	171.2	55.4	0	0	0	0	114	R175 V179 Q180 D181 K207	R175-S177 VanDerWaalsContact CB-OG 3.29Å; R175-S177 WeakPolarHBondContact CB-OG 2.92Å; R175-S177 PolarHBondContact O-N 3.47Å; S177-V179 VanDerWaalsContact C-N 3.33Å; S177-Q180 PolarHBondContact O-N 2.93Å; S177-D181 PolarHBondContact O-N 3.19Å; S177-K207 WeakPolarHBondContact CB-O 3.45Å; S177-K207 PolarHBondContact N-O 3.29Å; S177-K207 PolarHBondContact OG-O 3.41Å
178	D	88.3	Confident	86.5	Confident	65 Å²	65	46.7 Å²	46.7	35%	0.348	22%	0.219	S	C	.	.	H	α-helix	trans	-69.2	-35.2	-178.7	-56.8	-64.9	0	0	0	111.1	H174 R175 I176 D181 F182	H174-D178 IonicContact CD2-OD2 2.71Å; R175-D178 WeakPolarHBondContact CB-OD2 3.45Å; R175-D178 PolarHBondContact N-OD2 3.15Å; R175-D178 PolarHBondContact O-N 3.48Å; I176-D178 PolarHBondContact O-N 3.16Å; D178-D181 PolarHBondContact O-N 2.71Å; D178-F182 VanDerWaalsContact O-CB 3.27Å; D178-F182 WeakPolarHBondContact O-CB 3.22Å; D178-F182 PolarHBondContact O-N 3Å
179	V	88.4	Confident	85.9	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-69	-37.6	174	-173.2	0	0	0	0	110.9	L156 I158 F170 I176 S177 V183 L195 L211 I221	L156-V179 HydrophobicContact CD1-CG1 4.31Å; L156-V179 HydrophobicContact CD1-CG2 3.81Å; I158-V179 HydrophobicContact CD1-CG1 3.97Å; F170-V179 HydrophobicContact CD1-CG2 4.4Å; F170-V179 HydrophobicContact CE1-CG2 4.06Å; F170-V179 HydrophobicContact CE2-CG2 4.21Å; F170-V179 HydrophobicContact CZ-CB 4.45Å; F170-V179 HydrophobicContact CZ-CG1 4.48Å; F170-V179 HydrophobicContact CZ-CG2 3.97Å; I176-V179 PolarHBondContact O-N 2.87Å; S177-V179 VanDerWaalsContact C-N 3.33Å; V179-V183 WeakPolarHBondContact O-CB 3.38Å; V179-V183 VanDerWaalsContact O-CG2 3.24Å; V179-V183 WeakPolarHBondContact O-CG2 3.16Å; V179-V183 PolarHBondContact O-N 3.08Å; V179-L195 HydrophobicContact CB-CD1 4.31Å; V179-L195 HydrophobicContact CG1-CD1 3.88Å; V179-L211 HydrophobicContact CG2-CD2 3.94Å; V179-I221 HydrophobicContact CG1-CD1 4.24Å
180	Q	88.5	Confident	85	Confident	24 Å²	24	45.9 Å²	45.9	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-65.8	-42.4	174.4	-70.4	177.8	14.8	0	0	112	I176 S177 V183 A184 F193 L195 L204	I176-Q180 HydrophobicContact CG2-CG 4.5Å; I176-Q180 WeakPolarHBondContact O-CG 3.38Å; I176-Q180 PolarHBondContact O-N 3.01Å; S177-Q180 PolarHBondContact O-N 2.93Å; Q180-V183 PolarHBondContact O-N 3.44Å; Q180-A184 WeakPolarHBondContact O-CB 3.4Å; Q180-A184 PolarHBondContact O-N 3.43Å; Q180-F193 HydrophobicContact CB-CZ 4.4Å; Q180-F193 HydrophobicContact CG-CE2 4.41Å; Q180-L195 HydrophobicContact CG-CD1 3.6Å; Q180-L195 HydrophobicContact CG-CG 4.1Å; Q180-L204 PolarHBondContact NE2-O 2.66Å
181	D	87.3	Confident	84.6	Confident	74 Å²	74	48.7 Å²	48.7	40%	0.396	26%	0.255	S	S	.	.	H	α-helix	trans	-67.4	-41.7	176.3	177	-102.7	0	0	0	112.1	S177 D178 V183 A184 R185	S177-D181 PolarHBondContact O-N 3.19Å; D178-D181 PolarHBondContact O-N 2.71Å; D181-V183 PolarHBondContact O-N 2.7Å; D181-A184 PolarHBondContact O-N 3.04Å; D181-R185 WeakPolarHBondContact O-CG 3.24Å; D181-R185 PolarHBondContact O-N 3.4Å; D181-R185 IonicContact OD1-CZ 3.13Å; D181-R185 IonicContact OD1-NE 2.71Å; D181-R185 PolarHBondContact OD1-NE 2.79Å; D181-R185 IonicContact OD1-NH2 2.72Å; D181-R185 PolarHBondContact OD1-NH2 2.82Å; D181-R185 IonicContact OD2-CZ 3.42Å; D181-R185 IonicContact OD2-NE 3.36Å; D181-R185 PolarHBondContact OD2-NE 3Å; D181-R185 IonicContact OD2-NH2 2.81Å; D181-R185 PolarHBondContact OD2-NH2 2.91Å
182	F	87.8	Confident	84.4	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-56.4	-48.6	170.5	174.9	-90.1	0	0	0	111.7	I142 P143 V145 I158 L166 Q168 F170 D178 A184 R185 C186	I142-F182 HydrophobicContact CG2-CE2 3.8Å; I142-F182 HydrophobicContact CG2-CZ 3.71Å; P143-F182 HydrophobicContact CG-CD2 3.6Å; P143-F182 HydrophobicContact CG-CE2 3.83Å; P143-F182 HydrophobicContact CG-CG 4.39Å; P143-F182 WeakPolarHBondContact O-CE2 3.48Å; V145-F182 HydrophobicContact CG2-CD2 3.51Å; V145-F182 HydrophobicContact CG2-CE2 3.89Å; V145-F182 HydrophobicContact CG2-CG 4.41Å; I158-F182 HydrophobicContact CD1-CD1 3.95Å; I158-F182 HydrophobicContact CD1-CE1 3.94Å; L166-F182 HydrophobicContact CD1-CE1 3.94Å; L166-F182 HydrophobicContact CD1-CZ 4.35Å; Q168-F182 HydrophobicContact CB-CE1 3.87Å; Q168-F182 HydrophobicContact CB-CE2 4.24Å; Q168-F182 HydrophobicContact CB-CZ 3.64Å; Q168-F182 HydrophobicContact CG-CD1 4.49Å; Q168-F182 HydrophobicContact CG-CD2 4.09Å; Q168-F182 HydrophobicContact CG-CE1 3.99Å; Q168-F182 HydrophobicContact CG-CE2 3.55Å; Q168-F182 HydrophobicContact CG-CZ 3.5Å; Q168-F182 VanDerWaalsContact CG-CZ 3.5Å; F170-F182 HydrophobicContact CE1-CB 4.46Å; F170-F182 HydrophobicContact CZ-CB 4.08Å; F170-F182 HydrophobicContact CZ-CD1 4.2Å; F170-F182 HydrophobicContact CZ-CD2 4.33Å; F170-F182 AromaticContact CZ-CG 3.94Å; F170-F182 HydrophobicContact CZ-CG 3.94Å; D178-F182 VanDerWaalsContact O-CB 3.27Å; D178-F182 WeakPolarHBondContact O-CB 3.22Å; D178-F182 PolarHBondContact O-N 3Å; F182-A184 VanDerWaalsContact C-N 3.34Å; F182-A184 PolarHBondContact O-N 2.78Å; F182-R185 PolarHBondContact O-N 2.7Å; F182-C186 PolarHBondContact O-N 3.14Å; F182-C186 PolarHBondContact O-SG 3.02Å
183	V	87.6	Confident	84.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-41.8	177.7	165	0	0	0	0	111.4	I158 L160 V179 Q180 D181 C186 Q187 F193 L195 Q223	I158-V183 HydrophobicContact CD1-CG2 4.33Å; I158-V183 HydrophobicContact CG2-CG2 3.72Å; L160-V183 HydrophobicContact CD2-CG1 3.99Å; L160-V183 HydrophobicContact CD2-CG2 4.34Å; V179-V183 WeakPolarHBondContact O-CB 3.38Å; V179-V183 VanDerWaalsContact O-CG2 3.24Å; V179-V183 WeakPolarHBondContact O-CG2 3.16Å; V179-V183 PolarHBondContact O-N 3.08Å; Q180-V183 PolarHBondContact O-N 3.44Å; D181-V183 PolarHBondContact O-N 2.7Å; V183-C186 PolarHBondContact O-N 2.79Å; V183-Q187 VanDerWaalsContact CG1-NE2 3.34Å; V183-Q187 PolarHBondContact O-NE2 3.22Å; V183-F193 HydrophobicContact CB-CE2 4.38Å; V183-F193 HydrophobicContact CB-CZ 4.18Å; V183-F193 HydrophobicContact CG1-CE1 4.38Å; V183-F193 HydrophobicContact CG1-CE2 3.75Å; V183-F193 HydrophobicContact CG1-CZ 3.67Å; V183-L195 HydrophobicContact CG2-CD2 4.38Å; V183-Q223 HydrophobicContact CG1-CG 4.27Å
184	A	84.5	Confident	84.7	Confident	36 Å²	36	51.4 Å²	51.4	30%	0.298	27%	0.267	S	S	.	.	H	α-helix	trans	-64	-44.7	177.6	0	0	0	0	0	112.5	Q180 D181 F182 C186 Q187	Q180-A184 WeakPolarHBondContact O-CB 3.4Å; Q180-A184 PolarHBondContact O-N 3.43Å; D181-A184 PolarHBondContact O-N 3.04Å; F182-A184 VanDerWaalsContact C-N 3.34Å; F182-A184 PolarHBondContact O-N 2.78Å; A184-C186 VanDerWaalsContact C-N 3.29Å; A184-C186 PolarHBondContact O-N 3.14Å; A184-Q187 PolarHBondContact O-N 3.04Å; A184-Q187 VanDerWaalsContact O-O 3.07Å
185	R	83.3	Confident	84.7	Confident	147 Å²	147	50.1 Å²	50.1	56%	0.555	26%	0.261	S	S	*	.	H	α-helix	trans	-65.7	-28	176.8	-71.2	179.9	-150.7	-97.6	-7.2	113.7	P143 D181 F182 Q187	P143-R185 HydrophobicContact CB-CB 4.22Å; P143-R185 HydrophobicContact CG-CB 3.78Å; D181-R185 WeakPolarHBondContact O-CG 3.24Å; D181-R185 PolarHBondContact O-N 3.4Å; D181-R185 IonicContact OD1-CZ 3.13Å; D181-R185 IonicContact OD1-NE 2.71Å; D181-R185 PolarHBondContact OD1-NE 2.79Å; D181-R185 IonicContact OD1-NH2 2.72Å; D181-R185 PolarHBondContact OD1-NH2 2.82Å; D181-R185 IonicContact OD2-CZ 3.42Å; D181-R185 IonicContact OD2-NE 3.36Å; D181-R185 PolarHBondContact OD2-NE 3Å; D181-R185 IonicContact OD2-NH2 2.81Å; D181-R185 PolarHBondContact OD2-NH2 2.91Å; F182-R185 PolarHBondContact O-N 2.7Å; R185-Q187 PolarHBondContact O-N 2.87Å
186	C	80	Confident	84.8	Confident	5 Å²	5	45.1 Å²	45.1	3%	0.034	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-4.4	175	-75.3	0	0	0	0	114.5	P140 P143 L166 F182 V183 A184	P140-C186 WeakPolarHBondContact CG-O 3.43Å; P143-C186 WeakPolarHBondContact CD-SG 3.32Å; L166-C186 HydrophobicContact CD1-CB 3.81Å; L166-C186 WeakPolarHBondContact CD1-SG 3.38Å; F182-C186 PolarHBondContact O-N 3.14Å; F182-C186 PolarHBondContact O-SG 3.02Å; V183-C186 PolarHBondContact O-N 2.79Å; A184-C186 VanDerWaalsContact C-N 3.29Å; A184-C186 PolarHBondContact O-N 3.14Å
187	Q	78.1	Confident	84.8	Confident	29 Å²	29	45.6 Å²	45.6	14%	0.136	25%	0.246	C	C	.	.			trans	-128.3	138.8	-175.9	-71.8	163.5	93.1	0	0	110.8	L160 V183 A184 R185 C190 Q223	L160-Q187 HydrophobicContact CD1-CG 4.39Å; V183-Q187 VanDerWaalsContact CG1-NE2 3.34Å; V183-Q187 PolarHBondContact O-NE2 3.22Å; A184-Q187 PolarHBondContact O-N 3.04Å; A184-Q187 VanDerWaalsContact O-O 3.07Å; R185-Q187 PolarHBondContact O-N 2.87Å; Q187-C190 HydrophobicContact CB-CB 4.33Å; Q187-Q223 VanDerWaalsContact NE2-NE2 3.11Å
188	R	74.2	Confident	84.4	Confident	146 Å²	146	46.3 Å²	46.3	55%	0.551	25%	0.251	S	S	*	.	S	Bend	trans	-76.3	-35.9	172.3	-70	-163.8	-169.2	80.6	17.5	112.9	E138 S139 P140	E138-R188 PolarHBondContact O-NH1 2.73Å; E138-R188 IonicContact OE1-CZ 3.26Å; E138-R188 VanDerWaalsContact OE1-CZ 3.26Å; E138-R188 IonicContact OE1-NE 3.72Å; E138-R188 IonicContact OE1-NH1 2.76Å; E138-R188 PolarHBondContact OE1-NH1 2.68Å; E138-R188 IonicContact OE1-NH2 3.97Å; S139-R188 VanDerWaalsContact CA-NH2 3.26Å; S139-R188 PolarHBondContact O-NH2 2.87Å; P140-R188 HydrophobicContact CG-CG 4.35Å
189	S	73.8	Confident	84	Confident	97 Å²	97	50.6 Å²	50.6	68%	0.678	27%	0.273	S	S	*	.	S	Bend	trans	-117.8	117.1	171.9	-176	0	0	0	0	107.3	P191	S189-P191 WeakPolarHBondContact O-CD 3.46Å
190	C	70.8	Confident	83.6	Confident	48 Å²	48	55.9 Å²	55.9	32%	0.324	31%	0.307	S	S	.	.			trans	-119.3	88.3	-179.8	-158.6	0	0	0	0	108.7	Q187 F193	Q187-C190 HydrophobicContact CB-CB 4.33Å; C190-F193 WeakPolarHBondContact SG-CE1 3.22Å
191	P	80.5	Confident	83.4	Confident	59 Å²	59	59.8 Å²	59.8	38%	0.383	32%	0.324	S	S	.	.			trans	-61	156.5	172.9	28	-35	0	0	0	109.9	S189 F193 P225	S189-P191 WeakPolarHBondContact O-CD 3.46Å; P191-F193 WeakPolarHBondContact O-CD1 3.24Å; P191-F193 PolarHBondContact O-N 2.78Å; P191-P225 HydrophobicContact CG-CB 4.44Å
192	P	86	Confident	83.4	Confident	88 Å²	88	60.9 Å²	60.9	57%	0.571	32%	0.322	S	S	*	.	S	Bend	trans	-52.9	135	178.3	24.1	-34.9	0	0	0	110.2	L226	P192-L226 HydrophobicContact CB-CB 4.28Å; P192-L226 HydrophobicContact CB-CD1 4.39Å; P192-L226 HydrophobicContact CG-CB 4.44Å; P192-L226 WeakPolarHBondContact O-CB 3.19Å; P192-L226 PolarHBondContact O-N 2.97Å
193	F	88.6	Confident	83.5	Confident	38 Å²	38	65.4 Å²	65.4	17%	0.167	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.8	-172	70.4	-88.1	0	0	0	111.8	Q180 V183 C190 P191 L195 Q223 R224	Q180-F193 HydrophobicContact CB-CZ 4.4Å; Q180-F193 HydrophobicContact CG-CE2 4.41Å; V183-F193 HydrophobicContact CB-CE2 4.38Å; V183-F193 HydrophobicContact CB-CZ 4.18Å; V183-F193 HydrophobicContact CG1-CE1 4.38Å; V183-F193 HydrophobicContact CG1-CE2 3.75Å; V183-F193 HydrophobicContact CG1-CZ 3.67Å; C190-F193 WeakPolarHBondContact SG-CE1 3.22Å; P191-F193 WeakPolarHBondContact O-CD1 3.24Å; P191-F193 PolarHBondContact O-N 2.78Å; F193-L195 HydrophobicContact CD2-CD2 3.95Å; F193-L195 HydrophobicContact CD2-CG 4.3Å; F193-L195 HydrophobicContact CE2-CD2 3.66Å; F193-L195 HydrophobicContact CE2-CG 3.89Å; F193-Q223 HydrophobicContact CB-CG 3.91Å; F193-Q223 HydrophobicContact CD2-CG 3.62Å; F193-Q223 HydrophobicContact CE2-CG 4.32Å; F193-Q223 HydrophobicContact CG-CG 3.85Å; F193-R224 CarbonylContact C-O 3.53Å; F193-R224 VanDerWaalsContact CA-O 3.25Å; F193-R224 WeakPolarHBondContact CA-O 3.25Å; F193-R224 WeakPolarHBondContact CB-O 3.4Å
194	I	90.8	Very high	83.4	Confident	38 Å²	38	65.6 Å²	65.6	20%	0.195	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	152.7	164.4	57.3	171.8	0	0	0	109.6	T196 E203 R224 L226	I194-T196 HydrophobicContact CD1-CG2 3.81Å; I194-T196 HydrophobicContact CG1-CG2 4.1Å; I194-E203 VanDerWaalsContact CD1-OE1 3.25Å; I194-E203 WeakPolarHBondContact CD1-OE1 2.97Å; I194-R224 HydrophobicContact CD1-CB 4.49Å; I194-R224 HydrophobicContact CG1-CB 3.92Å; I194-R224 PolarHBondContact N-O 3.34Å; I194-R224 PolarHBondContact O-N 3.09Å; I194-L226 HydrophobicContact CG1-CD2 4.48Å; I194-L226 HydrophobicContact CG2-CD1 4.04Å; I194-L226 HydrophobicContact CG2-CD2 3.97Å; I194-L226 HydrophobicContact CG2-CG 4.14Å
195	L	90.8	Very high	83.3	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139	166.8	-64.1	-176.8	0	0	0	108.5	V179 Q180 V183 F193 L204 I221 Q223	V179-L195 HydrophobicContact CB-CD1 4.31Å; V179-L195 HydrophobicContact CG1-CD1 3.88Å; Q180-L195 HydrophobicContact CG-CD1 3.6Å; Q180-L195 HydrophobicContact CG-CG 4.1Å; V183-L195 HydrophobicContact CG2-CD2 4.38Å; F193-L195 HydrophobicContact CD2-CD2 3.95Å; F193-L195 HydrophobicContact CD2-CG 4.3Å; F193-L195 HydrophobicContact CE2-CD2 3.66Å; F193-L195 HydrophobicContact CE2-CG 3.89Å; L195-L204 HydrophobicContact CB-CB 4.03Å; L195-L204 HydrophobicContact CB-CD1 4.13Å; L195-L204 WeakPolarHBondContact O-CB 3.48Å; L195-L204 PolarHBondContact O-N 3.06Å; L195-I221 HydrophobicContact CB-CG2 3.83Å; L195-I221 HydrophobicContact CD1-CG2 4.22Å; L195-I221 HydrophobicContact CD2-CG2 3.98Å; L195-I221 HydrophobicContact CG-CG2 4.22Å; L195-Q223 HydrophobicContact CD2-CB 4.15Å; L195-Q223 HydrophobicContact CD2-CG 4.46Å
196	T	91.8	Very high	83.4	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.006	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.1	-178.5	58.1	0	0	0	0	110.4	I194 F201 R202 E203 I221 V222 R224	I194-T196 HydrophobicContact CD1-CG2 3.81Å; I194-T196 HydrophobicContact CG1-CG2 4.1Å; T196-F201 HydrophobicContact CG2-CE2 3.79Å; T196-F201 HydrophobicContact CG2-CZ 3.95Å; T196-R202 CarbonylContact C-O 3.43Å; T196-R202 WeakPolarHBondContact CA-O 3.45Å; T196-E203 HydrophobicContact CG2-CG 4.12Å; T196-I221 CarbonylContact O-C 3.47Å; T196-I221 WeakPolarHBondContact O-CA 3.04Å; T196-V222 PolarHBondContact N-O 3.2Å; T196-V222 PolarHBondContact O-N 3.19Å; T196-V222 PolarHBondContact OG1-O 3.1Å; T196-R224 HydrophobicContact CG2-CG 4.29Å; T196-R224 PolarHBondContact OG1-NE 2.81Å
197	T	90.6	Very high	83.6	Confident	14 Å²	14	70.4 Å²	70.4	9%	0.086	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	153.1	171	52	0	0	0	0	110.9	P200 F201 R202 L204 L216 V220	T197-P200 WeakPolarHBondContact CB-O 3.3Å; T197-P200 PolarHBondContact OG1-O 2.58Å; T197-F201 WeakPolarHBondContact O-CD2 3.45Å; T197-R202 PolarHBondContact N-O 2.62Å; T197-R202 WeakPolarHBondContact OG1-CB 3.18Å; T197-R202 PolarHBondContact OG1-N 3.36Å; T197-R202 PolarHBondContact OG1-O 2.83Å; T197-L204 HydrophobicContact CG2-CD1 4.26Å; T197-L204 HydrophobicContact CG2-CD2 4.2Å; T197-L204 HydrophobicContact CG2-CG 4.42Å; T197-L216 HydrophobicContact CG2-CD2 3.41Å; T197-L216 VanDerWaalsContact CG2-CD2 3.41Å; T197-V220 WeakPolarHBondContact CA-O 3.32Å
198	S	81.4	Confident	84.1	Confident	55 Å²	55	75.4 Å²	75.4	39%	0.385	40%	0.399	S	S	.	.	S	Bend	trans	-75.6	-50.3	176	61.3	0	0	0	0	113	V220	S198-V220 PolarHBondContact N-O 3.49Å; S198-V220 VanDerWaalsContact N-O 3.16Å
199	L	78.6	Confident	84.7	Confident	156 Å²	156	70.1 Å²	70.1	82%	0.817	38%	0.382	S	S	*	.	S	Bend	trans	-148.1	123	-174.2	-67.8	175	0	0	0	110.4
200	P	81.3	Confident	85.5	Confident	111 Å²	111	66.1 Å²	66.1	72%	0.721	35%	0.354	S	S	*	.	S	Bend	cis	-58.1	157	-18.9	30	-35.9	0	0	0	110.4	T197 R202	T197-P200 WeakPolarHBondContact CB-O 3.3Å; T197-P200 PolarHBondContact OG1-O 2.58Å; P200-R202 PolarHBondContact O-N 2.79Å
201	F	84.4	Confident	86.3	Confident	107 Å²	107	63.8 Å²	63.8	47%	0.469	34%	0.338	S	S	.	.			trans	-72.7	114.3	174.3	179.1	-99.6	0	0	0	110.2	T196 T197 E203 R224	T196-F201 HydrophobicContact CG2-CE2 3.79Å; T196-F201 HydrophobicContact CG2-CZ 3.95Å; T197-F201 WeakPolarHBondContact O-CD2 3.45Å; F201-E203 HydrophobicContact CE1-CG 3.95Å; F201-E203 HydrophobicContact CZ-CG 3.87Å; F201-R224 VanDerWaalsContact CE2-CZ 3.45Å; F201-R224 VanDerWaalsContact CE2-NH2 3.25Å
202	R	87.8	Confident	86.7	Confident	97 Å²	97	65.9 Å²	65.9	37%	0.366	34%	0.343	S	S	.	.			trans	-134.3	135.4	177.4	-177.9	-176.9	178.3	176.9	3.6	108.4	T196 T197 P200 L204 A214	T196-R202 CarbonylContact C-O 3.43Å; T196-R202 WeakPolarHBondContact CA-O 3.45Å; T197-R202 PolarHBondContact N-O 2.62Å; T197-R202 WeakPolarHBondContact OG1-CB 3.18Å; T197-R202 PolarHBondContact OG1-N 3.36Å; T197-R202 PolarHBondContact OG1-O 2.83Å; P200-R202 PolarHBondContact O-N 2.79Å; R202-L204 HydrophobicContact CG-CD2 4.48Å; R202-A214 PolarHBondContact NH1-O 3.16Å
203	E	89.3	Confident	86.7	Confident	101 Å²	101	67.9 Å²	67.9	47%	0.472	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-85.9	127.8	173.8	-61.4	-177.3	95.1	0	0	109.4	I194 T196 F201 S205	I194-E203 VanDerWaalsContact CD1-OE1 3.25Å; I194-E203 WeakPolarHBondContact CD1-OE1 2.97Å; T196-E203 HydrophobicContact CG2-CG 4.12Å; F201-E203 HydrophobicContact CE1-CG 3.95Å; F201-E203 HydrophobicContact CZ-CG 3.87Å; E203-S205 VanDerWaalsContact C-N 3.27Å; E203-S205 PolarHBondContact O-N 2.6Å; E203-S205 VanDerWaalsContact O-N 3.14Å
204	L	86	Confident	86.5	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.016	34%	0.339	C	S	.	.			trans	-92.4	61.1	-174.6	-59.7	-177.4	0	0	0	110.4	I176 Q180 L195 T197 R202 L216 I221	I176-L204 HydrophobicContact CD1-CB 4.18Å; I176-L204 HydrophobicContact CD1-CD2 4.09Å; I176-L204 HydrophobicContact CG2-CB 4.09Å; Q180-L204 PolarHBondContact NE2-O 2.66Å; L195-L204 HydrophobicContact CB-CB 4.03Å; L195-L204 HydrophobicContact CB-CD1 4.13Å; L195-L204 WeakPolarHBondContact O-CB 3.48Å; L195-L204 PolarHBondContact O-N 3.06Å; T197-L204 HydrophobicContact CG2-CD1 4.26Å; T197-L204 HydrophobicContact CG2-CD2 4.2Å; T197-L204 HydrophobicContact CG2-CG 4.42Å; R202-L204 HydrophobicContact CG-CD2 4.48Å; L204-L216 HydrophobicContact CD1-CD1 3.88Å; L204-L216 HydrophobicContact CD1-CD2 4.12Å; L204-L216 HydrophobicContact CD2-CD1 4.19Å; L204-L216 HydrophobicContact CD2-CD2 4.27Å; L204-I221 HydrophobicContact CD1-CD1 4.06Å; L204-I221 HydrophobicContact CD1-CG1 4.21Å; L204-I221 HydrophobicContact CD1-CG2 4.24Å
205	S	81.1	Confident	86.2	Confident	76 Å²	76	71 Å²	71	53%	0.531	36%	0.364	S	S	.	.			trans	-76.4	-33.2	-178.8	-61.5	0	0	0	0	112.8	E203 K207	E203-S205 VanDerWaalsContact C-N 3.27Å; E203-S205 PolarHBondContact O-N 2.6Å; E203-S205 VanDerWaalsContact O-N 3.14Å; S205-K207 PolarHBondContact O-N 2.85Å
206	D	86.4	Confident	85.9	Confident	93 Å²	93	71 Å²	71	50%	0.497	36%	0.364	S	S	.	.			trans	-74.6	80.8	-173.8	-54.9	-77	0	0	0	112.4	E208 L209	D206-E208 PolarHBondContact O-N 2.89Å; D206-E208 VanDerWaalsContact O-N 3.1Å; D206-L209 HydrophobicContact CB-CB 3.98Å; D206-L209 HydrophobicContact CB-CD2 4.39Å; D206-L209 VanDerWaalsContact O-CB 3.32Å; D206-L209 WeakPolarHBondContact O-CB 3.44Å; D206-L209 PolarHBondContact O-N 2.82Å; D206-L209 VanDerWaalsContact O-N 3.08Å
207	K	84.6	Confident	85.7	Confident	120 Å²	120	73.6 Å²	73.6	52%	0.522	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.1	-173.1	-59.4	-168.8	-175.9	-123.6	0	115	S177 S205	S177-K207 WeakPolarHBondContact CB-O 3.45Å; S177-K207 PolarHBondContact N-O 3.29Å; S177-K207 PolarHBondContact OG-O 3.41Å; S205-K207 PolarHBondContact O-N 2.85Å
208	E	87.2	Confident	85.4	Confident	134 Å²	134	78.6 Å²	78.6	63%	0.626	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.9	-179	-65.8	-146.7	77.2	0	0	114.4	R175 D206	R175-E208 IonicContact CZ-OE1 3.19Å; R175-E208 VanDerWaalsContact CZ-OE1 3.23Å; R175-E208 PolarHBondContact NE-O 3.13Å; R175-E208 IonicContact NH1-OE1 3.74Å; R175-E208 PolarHBondContact NH1-OE1 3.1Å; R175-E208 IonicContact NH2-OE1 3.03Å; R175-E208 PolarHBondContact NH2-OE1 3.48Å; D206-E208 PolarHBondContact O-N 2.89Å; D206-E208 VanDerWaalsContact O-N 3.1Å
209	L	88.1	Confident	85.7	Confident	36 Å²	36	76.9 Å²	76.9	19%	0.188	40%	0.397	C	S	.	.			trans	-69.6	137.9	-178	-163.2	68.7	0	0	0	110.5	R175 I176 D206 E213 A214	R175-L209 WeakPolarHBondContact CA-O 3.3Å; I176-L209 HydrophobicContact CD1-CB 4.11Å; I176-L209 HydrophobicContact CD1-CD2 4.4Å; I176-L209 PolarHBondContact N-O 2.9Å; D206-L209 HydrophobicContact CB-CB 3.98Å; D206-L209 HydrophobicContact CB-CD2 4.39Å; D206-L209 VanDerWaalsContact O-CB 3.32Å; D206-L209 WeakPolarHBondContact O-CB 3.44Å; D206-L209 PolarHBondContact O-N 2.82Å; D206-L209 VanDerWaalsContact O-N 3.08Å; L209-E213 HydrophobicContact CD1-CB 3.5Å; L209-E213 HydrophobicContact CD1-CG 4.32Å; L209-E213 HydrophobicContact CG-CB 3.85Å; L209-A214 HydrophobicContact CD2-CB 3.82Å; L209-A214 HydrophobicContact CG-CB 4.3Å
210	S	90.2	Very high	86.3	Confident	12 Å²	12	71.2 Å²	71.2	8%	0.084	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-74.2	162.6	175.3	64.1	0	0	0	0	112.6	H174 E212 E213 A214	H174-S210 CarbonylContact O-C 3.56Å; H174-S210 VanDerWaalsContact O-CA 3.27Å; H174-S210 WeakPolarHBondContact O-CA 3.39Å; S210-E212 PolarHBondContact O-N 3.18Å; S210-E212 WeakPolarHBondContact OG-CG 3.29Å; S210-E213 VanDerWaalsContact CB-OE2 3.31Å; S210-E213 WeakPolarHBondContact CB-OE2 3.32Å; S210-E213 PolarHBondContact N-OE2 3.08Å; S210-E213 PolarHBondContact O-N 3.48Å; S210-E213 WeakPolarHBondContact OG-CB 3.38Å; S210-E213 VanDerWaalsContact OG-CD 3.3Å; S210-E213 WeakPolarHBondContact OG-CG 3.41Å; S210-E213 PolarHBondContact OG-N 3.15Å; S210-E213 VanDerWaalsContact OG-N 3.15Å; S210-E213 PolarHBondContact OG-OE2 3.4Å; S210-A214 WeakPolarHBondContact O-CB 3.39Å; S210-A214 PolarHBondContact O-N 3.32Å
211	L	87.1	Confident	86.8	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-25.1	175.5	-57	177	0	0	0	112.6	T154 L156 F170 L172 H174 V179 L216	T154-L211 HydrophobicContact CG2-CD1 4.16Å; L156-L211 HydrophobicContact CD1-CD1 3.97Å; L156-L211 HydrophobicContact CD1-CD2 4.15Å; F170-L211 HydrophobicContact CB-CD1 3.58Å; F170-L211 HydrophobicContact CG-CD1 4.15Å; L172-L211 HydrophobicContact CD2-CB 4.47Å; L172-L211 WeakPolarHBondContact O-CA 3.13Å; L172-L211 WeakPolarHBondContact O-CB 3.27Å; L172-L211 PolarHBondContact O-N 2.92Å; H174-L211 HydrophobicContact CB-CD1 4.15Å; H174-L211 HydrophobicContact CB-CG 4.47Å; H174-L211 PolarHBondContact O-N 3.42Å; V179-L211 HydrophobicContact CG2-CD2 3.94Å; L211-L216 HydrophobicContact CB-CB 4.31Å; L211-L216 HydrophobicContact CD2-CB 4.21Å; L211-L216 HydrophobicContact CD2-CD1 3.69Å; L211-L216 PolarHBondContact O-N 2.99Å
212	E	88.3	Confident	87.2	Confident	103 Å²	103	63 Å²	63	48%	0.481	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-52.4	170.7	47.4	-167.6	110	0	0	112.3	L172 S173 S210 A214 D215	L172-E212 HydrophobicContact CB-CB 4.11Å; L172-E212 HydrophobicContact CB-CG 4.42Å; L172-E212 PolarHBondContact O-N 2.86Å; S173-E212 PolarHBondContact OG-OE1 2.59Å; S210-E212 PolarHBondContact O-N 3.18Å; S210-E212 WeakPolarHBondContact OG-CG 3.29Å; E212-A214 PolarHBondContact O-N 3.25Å; E212-D215 PolarHBondContact O-N 3.24Å
213	E	86.4	Confident	87.3	Confident	130 Å²	130	58.7 Å²	58.7	61%	0.607	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.9	178.2	-64.1	163.1	112	0	0	113.2	L209 S210 D215	L209-E213 HydrophobicContact CD1-CB 3.5Å; L209-E213 HydrophobicContact CD1-CG 4.32Å; L209-E213 HydrophobicContact CG-CB 3.85Å; S210-E213 VanDerWaalsContact CB-OE2 3.31Å; S210-E213 WeakPolarHBondContact CB-OE2 3.32Å; S210-E213 PolarHBondContact N-OE2 3.08Å; S210-E213 PolarHBondContact O-N 3.48Å; S210-E213 WeakPolarHBondContact OG-CB 3.38Å; S210-E213 VanDerWaalsContact OG-CD 3.3Å; S210-E213 WeakPolarHBondContact OG-CG 3.41Å; S210-E213 PolarHBondContact OG-N 3.15Å; S210-E213 VanDerWaalsContact OG-N 3.15Å; S210-E213 PolarHBondContact OG-OE2 3.4Å; E213-D215 VanDerWaalsContact C-N 3.29Å
214	A	84.1	Confident	87.3	Confident	5 Å²	5	59.6 Å²	59.6	4%	0.041	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-8	175	0	0	0	0	0	113.9	I176 R202 L209 S210 E212 L216	I176-A214 HydrophobicContact CD1-CB 4Å; R202-A214 PolarHBondContact NH1-O 3.16Å; L209-A214 HydrophobicContact CD2-CB 3.82Å; L209-A214 HydrophobicContact CG-CB 4.3Å; S210-A214 WeakPolarHBondContact O-CB 3.39Å; S210-A214 PolarHBondContact O-N 3.32Å; E212-A214 PolarHBondContact O-N 3.25Å; A214-L216 VanDerWaalsContact C-N 3.28Å; A214-L216 HydrophobicContact CB-CB 4.41Å; A214-L216 HydrophobicContact CB-CD1 3.53Å; A214-L216 HydrophobicContact CB-CG 3.59Å; A214-L216 PolarHBondContact O-N 3.04Å
215	D	84.9	Confident	87.3	Confident	136 Å²	136	62.6 Å²	62.6	73%	0.727	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	39	-169.6	-161.9	-143.3	0	0	0	113.1	E212 E213 A217	E212-D215 PolarHBondContact O-N 3.24Å; E213-D215 VanDerWaalsContact C-N 3.29Å; D215-A217 VanDerWaalsContact C-N 3.25Å; D215-A217 PolarHBondContact O-N 3.42Å
216	L	85	Confident	87.3	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	33%	0.325	C	S	.	.			trans	-88.9	19.4	-176.5	-67.4	173.7	0	0	0	113.3	L156 I176 T197 L204 L211 A214 H218 A219 I221	L156-L216 HydrophobicContact CD2-CB 4.31Å; L156-L216 WeakPolarHBondContact CD2-O 3.35Å; I176-L216 HydrophobicContact CD1-CD1 4.31Å; I176-L216 HydrophobicContact CG1-CD1 4.19Å; T197-L216 HydrophobicContact CG2-CD2 3.41Å; T197-L216 VanDerWaalsContact CG2-CD2 3.41Å; L204-L216 HydrophobicContact CD1-CD1 3.88Å; L204-L216 HydrophobicContact CD1-CD2 4.12Å; L204-L216 HydrophobicContact CD2-CD1 4.19Å; L204-L216 HydrophobicContact CD2-CD2 4.27Å; L211-L216 HydrophobicContact CB-CB 4.31Å; L211-L216 HydrophobicContact CD2-CB 4.21Å; L211-L216 HydrophobicContact CD2-CD1 3.69Å; L211-L216 PolarHBondContact O-N 2.99Å; A214-L216 VanDerWaalsContact C-N 3.28Å; A214-L216 HydrophobicContact CB-CB 4.41Å; A214-L216 HydrophobicContact CB-CD1 3.53Å; A214-L216 HydrophobicContact CB-CG 3.59Å; A214-L216 PolarHBondContact O-N 3.04Å; L216-H218 PolarHBondContact O-N 3.47Å; L216-A219 HydrophobicContact CB-CB 4.1Å; L216-A219 HydrophobicContact CD2-CB 3.72Å; L216-A219 WeakPolarHBondContact O-CB 3.42Å; L216-A219 PolarHBondContact O-N 2.97Å; L216-A219 VanDerWaalsContact O-N 3.09Å; L216-I221 HydrophobicContact CD1-CD1 4.34Å; L216-I221 HydrophobicContact CD2-CD1 4.5Å; L216-I221 HydrophobicContact CD2-CG1 4.49Å
217	A	86.3	Confident	86.3	Confident	55 Å²	55	64.4 Å²	64.4	46%	0.455	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	111	178.6	0	0	0	0	0	111.3	D215 A219	D215-A217 VanDerWaalsContact C-N 3.25Å; D215-A217 PolarHBondContact O-N 3.42Å; A217-A219 PolarHBondContact O-N 3.16Å
218	H	85.3	Confident	84.9	Confident	119 Å²	119	65.3 Å²	65.3	55%	0.551	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	21.3	-174.9	-55.8	-75.3	0	0	0	114.8	T154 S155 L216	T154-H218 PolarHBondContact OG1-N 3.29Å; S155-H218 WeakPolarHBondContact O-CA 3.34Å; L216-H218 PolarHBondContact O-N 3.47Å
219	A	87.6	Confident	83	Confident	19 Å²	19	65.2 Å²	65.2	16%	0.157	35%	0.346	C	S	.	.			trans	-69.2	156.2	-173.6	0	0	0	0	0	113.7	Q157 L216 A217	Q157-A219 PolarHBondContact N-O 2.84Å; Q157-A219 VanDerWaalsContact N-O 3.1Å; L216-A219 HydrophobicContact CB-CB 4.1Å; L216-A219 HydrophobicContact CD2-CB 3.72Å; L216-A219 WeakPolarHBondContact O-CB 3.42Å; L216-A219 PolarHBondContact O-N 2.97Å; L216-A219 VanDerWaalsContact O-N 3.09Å; A217-A219 PolarHBondContact O-N 3.16Å
220	V	91.1	Very high	80.9	Confident	37 Å²	37	67.6 Å²	67.6	22%	0.224	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	115.2	172.1	-177.6	0	0	0	0	108.8	Q157 W159 T197 S198	Q157-V220 HydrophobicContact CB-CG1 4.49Å; Q157-V220 HydrophobicContact CB-CG2 4.23Å; Q157-V220 WeakPolarHBondContact O-CA 3.44Å; W159-V220 VanDerWaalsContact CD1-CG1 3.44Å; T197-V220 WeakPolarHBondContact CA-O 3.32Å; S198-V220 PolarHBondContact N-O 3.49Å; S198-V220 VanDerWaalsContact N-O 3.16Å
221	I	91.9	Very high	78.8	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.005	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.8	-179.8	-59	179.9	0	0	0	108.9	L156 Q157 I158 W159 V179 L195 T196 L204 L216	L156-I221 HydrophobicContact CD1-CD1 3.86Å; L156-I221 HydrophobicContact CD2-CD1 4.41Å; Q157-I221 PolarHBondContact O-N 2.98Å; I158-I221 CarbonylContact C-O 3.54Å; I158-I221 WeakPolarHBondContact CA-O 3.46Å; I158-I221 HydrophobicContact CG1-CB 4.5Å; W159-I221 PolarHBondContact N-O 3.33Å; V179-I221 HydrophobicContact CG1-CD1 4.24Å; L195-I221 HydrophobicContact CB-CG2 3.83Å; L195-I221 HydrophobicContact CD1-CG2 4.22Å; L195-I221 HydrophobicContact CD2-CG2 3.98Å; L195-I221 HydrophobicContact CG-CG2 4.22Å; T196-I221 CarbonylContact O-C 3.47Å; T196-I221 WeakPolarHBondContact O-CA 3.04Å; L204-I221 HydrophobicContact CD1-CD1 4.06Å; L204-I221 HydrophobicContact CD1-CG1 4.21Å; L204-I221 HydrophobicContact CD1-CG2 4.24Å; L216-I221 HydrophobicContact CD1-CD1 4.34Å; L216-I221 HydrophobicContact CD2-CD1 4.5Å; L216-I221 HydrophobicContact CD2-CG1 4.49Å
222	V	91.8	Very high	77.1	Confident	44 Å²	44	83.1 Å²	83.1	27%	0.267	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119.4	-179.4	-175.4	0	0	0	0	108.9	W159 T196	W159-V222 HydrophobicContact CB-CG1 4.36Å; W159-V222 HydrophobicContact CB-CG2 4.28Å; W159-V222 HydrophobicContact CG-CG2 4.41Å; T196-V222 PolarHBondContact N-O 3.2Å; T196-V222 PolarHBondContact O-N 3.19Å; T196-V222 PolarHBondContact OG1-O 3.1Å
223	Q	90.7	Very high	75.1	Confident	6 Å²	6	81.2 Å²	81.2	3%	0.028	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	124	170.3	-173.2	-166.7	4.3	0	0	109.2	W159 L160 A161 V183 Q187 F193 L195	W159-Q223 WeakPolarHBondContact O-CB 3.4Å; W159-Q223 PolarHBondContact O-N 2.8Å; L160-Q223 VanDerWaalsContact CA-OE1 3.25Å; A161-Q223 HydrophobicContact CB-CG 4.34Å; V183-Q223 HydrophobicContact CG1-CG 4.27Å; Q187-Q223 VanDerWaalsContact NE2-NE2 3.11Å; F193-Q223 HydrophobicContact CB-CG 3.91Å; F193-Q223 HydrophobicContact CD2-CG 3.62Å; F193-Q223 HydrophobicContact CE2-CG 4.32Å; F193-Q223 HydrophobicContact CG-CG 3.85Å; L195-Q223 HydrophobicContact CD2-CB 4.15Å; L195-Q223 HydrophobicContact CD2-CG 4.46Å
224	R	88.4	Confident	72.9	Confident	121 Å²	121	83.7 Å²	83.7	46%	0.457	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.2	171.5	-60	-174.2	-179.6	-150.6	-4.8	109.6	F193 I194 T196 F201	F193-R224 CarbonylContact C-O 3.53Å; F193-R224 VanDerWaalsContact CA-O 3.25Å; F193-R224 WeakPolarHBondContact CA-O 3.25Å; F193-R224 WeakPolarHBondContact CB-O 3.4Å; I194-R224 HydrophobicContact CD1-CB 4.49Å; I194-R224 HydrophobicContact CG1-CB 3.92Å; I194-R224 PolarHBondContact N-O 3.34Å; I194-R224 PolarHBondContact O-N 3.09Å; T196-R224 HydrophobicContact CG2-CG 4.29Å; T196-R224 PolarHBondContact OG1-NE 2.81Å; F201-R224 VanDerWaalsContact CE2-CZ 3.45Å; F201-R224 VanDerWaalsContact CE2-NH2 3.25Å
225	P	86.8	Confident	70.8	Confident	66 Å²	66	92.7 Å²	92.7	43%	0.429	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132.5	176.1	29.1	-32.7	0	0	0	110.5	A161 P191 N227	A161-P225 HydrophobicContact CB-CG 4.24Å; P191-P225 HydrophobicContact CG-CB 4.44Å; P225-N227 PolarHBondContact O-N 3.32Å
226	L	80.8	Confident	70.1	Confident	90 Å²	90	90.5 Å²	90.5	47%	0.471	52%	0.515	S	S	.	.			trans	-77.9	68	172.1	-67.8	171.7	0	0	0	109.5	P192 I194 T228	P192-L226 HydrophobicContact CB-CB 4.28Å; P192-L226 HydrophobicContact CB-CD1 4.39Å; P192-L226 HydrophobicContact CG-CB 4.44Å; P192-L226 WeakPolarHBondContact O-CB 3.19Å; P192-L226 PolarHBondContact O-N 2.97Å; I194-L226 HydrophobicContact CG1-CD2 4.48Å; I194-L226 HydrophobicContact CG2-CD1 4.04Å; I194-L226 HydrophobicContact CG2-CD2 3.97Å; I194-L226 HydrophobicContact CG2-CG 4.14Å; L226-T228 PolarHBondContact O-N 3.27Å
227	N	66.3	Low	69.3	Low	116 Å²	116	95.2 Å²	95.2	62%	0.62	54%	0.542	S	S	*	.			trans	-76.1	117.4	-177.2	-173.7	5.9	0	0	0	111.6	P225 Q229	P225-N227 PolarHBondContact O-N 3.32Å; N227-Q229 VanDerWaalsContact C-N 3.3Å; N227-Q229 VanDerWaalsContact CG-O 3.3Å; N227-Q229 PolarHBondContact ND2-O 3.49Å; N227-Q229 PolarHBondContact OD1-N 3.31Å; N227-Q229 PolarHBondContact OD1-O 3.34Å
228	T	55	Low	68.4	Low	139 Å²	139	97.4 Å²	97.4	85%	0.853	55%	0.547	S	S	*	.	S	Bend	trans	-84.4	1.3	176.4	-40.3	0	0	0	0	113.4	L226	L226-T228 PolarHBondContact O-N 3.27Å
229	Q	46.1	Very low	67.4	Low	132 Å²	132	96.1 Å²	96.1	62%	0.617	55%	0.546	S	S	*	.			trans	-120.8	105.4	168.5	-80.5	-170.1	-26.6	0	0	112	N227 L231	N227-Q229 VanDerWaalsContact C-N 3.3Å; N227-Q229 VanDerWaalsContact CG-O 3.3Å; N227-Q229 PolarHBondContact ND2-O 3.49Å; N227-Q229 PolarHBondContact OD1-N 3.31Å; N227-Q229 PolarHBondContact OD1-O 3.34Å; Q229-L231 PolarHBondContact O-N 3.28Å; Q229-L231 VanDerWaalsContact O-N 3.14Å
230	A	44.4	Very low	66.1	Low	87 Å²	87	100.9 Å²	100.9	72%	0.719	57%	0.571	S	S	*	*			trans	-64.8	107.1	152.6	0	0	0	0	0	108.5	F232	A230-F232 PolarHBondContact O-N 2.53Å
231	L	46.9	Very low	64.5	Low	139 Å²	139	105.2 Å²	105.2	73%	0.728	59%	0.594	S	S	*	*	S	Bend	trans	-77.2	12.3	170.4	-69	172	0	0	0	112.7	Q229	Q229-L231 PolarHBondContact O-N 3.28Å; Q229-L231 VanDerWaalsContact O-N 3.14Å
232	F	50.6	Low	62.5	Low	198 Å²	198	112.6 Å²	112.6	87%	0.868	64%	0.636	S	S	*	*			trans	-123.3	110.3	176.3	-71.6	-75.9	0	0	0	109.5	A230	A230-F232 PolarHBondContact O-N 2.53Å
233	G	47.1	Very low	60.3	Low	63 Å²	63	117.9 Å²	117.9	65%	0.649	66%	0.664	S	S	*	*			trans	133.8	113.5	-168.9	0	0	0	0	0	108.6
234	H	39.3	Very low	57.7	Low	183 Å²	183	127.3 Å²	127.3	85%	0.847	72%	0.717	S	S	*	*			cis	-133.3	157.3	18.2	-77.3	-112.6	0	0	0	113.4
235	S	40.9	Very low	54.9	Low	193 Å²	193	127.8 Å²	127.8	100%	1.35	74%	0.741	S	S	*	*			trans	50.8	0	150.2	-64.3	0	0	0	0	118.6

Retrieved 235 of 235 residues in 136.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).