A0A087YNZ1_POEFO Loading...

Jumonji domain containing 8

AlphaFold DB (A0A3B3UXD6), UniProt , Accession A0A087YNZ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 244 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	R	40.2	Very low	38.1	Very low	297 Å²	297	166 Å²	166	100%	1.121	83%	0.831	S	S	*	*				0	128.3	0	-77.5	179.2	167.3	-170.7	-4.1	106.8
2	P	32.8	Very low	39.1	Very low	125 Å²	125	156.8 Å²	156.8	81%	0.812	81%	0.81	S	S	*	*			trans	-74	144.1	-165	30	-30.2	0	0	0	111	V4	P2-V4 PolarHBondContact O-N 2.87Å
3	A	34	Very low	40.8	Very low	98 Å²	98	147.2 Å²	147.2	81%	0.81	77%	0.765	S	S	*	*			trans	-60.3	122.9	179.5	0	0	0	0	0	110.5	L5	A3-L5 PolarHBondContact O-N 3.19Å
4	V	39.5	Very low	43.2	Very low	135 Å²	135	137.9 Å²	137.9	82%	0.818	72%	0.722	S	S	*	*			trans	-71	115	171.8	178.4	0	0	0	0	107.5	P2 R6	P2-V4 PolarHBondContact O-N 2.87Å; V4-R6 PolarHBondContact O-N 3.22Å; V4-R6 VanDerWaalsContact O-N 3.09Å
5	L	34.8	Very low	46	Very low	159 Å²	159	131.5 Å²	131.5	83%	0.832	69%	0.689	S	S	*	*			trans	-50.7	111.9	167.6	-81.8	146.6	0	0	0	109	A3 R7	A3-L5 PolarHBondContact O-N 3.19Å; L5-R7 PolarHBondContact O-N 3.43Å
6	R	38.8	Very low	48.7	Very low	243 Å²	243	133.7 Å²	133.7	92%	0.917	69%	0.694	S	S	*	*			trans	-60.5	104.3	168.2	-83.1	-174.3	174	-161.7	-1.8	107.8	V4 S8	V4-R6 PolarHBondContact O-N 3.22Å; V4-R6 VanDerWaalsContact O-N 3.09Å; R6-S8 PolarHBondContact O-N 3.5Å
7	R	38	Very low	51.1	Low	236 Å²	236	131.6 Å²	131.6	89%	0.891	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-64.7	128.6	164.3	-72.8	-176.4	174.4	-164.2	-1.7	107.4	L5 Q9	L5-R7 PolarHBondContact O-N 3.43Å; R7-Q9 PolarHBondContact O-N 3.09Å
8	S	41	Very low	53.3	Low	116 Å²	116	127.1 Å²	127.1	81%	0.811	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-57.1	117.5	168.1	49.2	0	0	0	0	108.7	R6	R6-S8 PolarHBondContact O-N 3.5Å
9	Q	42.5	Very low	55.3	Low	114 Å²	114	122.2 Å²	122.2	53%	0.533	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-65.4	135.1	173.1	-88	-163.8	-27.8	0	0	109.7	R7 S13	R7-Q9 PolarHBondContact O-N 3.09Å; Q9-S13 WeakPolarHBondContact CB-OG 3.39Å; Q9-S13 PolarHBondContact OE1-OG 3.28Å
10	P	38.2	Very low	57.3	Low	98 Å²	98	118.3 Å²	118.3	64%	0.636	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-66.3	148.2	177.9	26.8	-30.9	0	0	0	110.8	G12 S13	P10-G12 PolarHBondContact O-N 3.47Å; P10-S13 PolarHBondContact O-N 3.47Å; P10-S13 VanDerWaalsContact O-N 3.12Å; P10-S13 PolarHBondContact O-OG 2.69Å
11	E	39.3	Very low	59.2	Low	205 Å²	205	115.9 Å²	115.9	96%	0.958	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.5	115.4	175.1	-70.9	-177.6	151.5	0	0	110.1
12	G	50.3	Low	62	Low	56 Å²	56	104.8 Å²	104.8	58%	0.577	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	102.6	1	179	0	0	0	0	0	116.6	P10 G14	P10-G12 PolarHBondContact O-N 3.47Å; G12-G14 PolarHBondContact O-N 3.34Å
13	S	61.7	Low	65.1	Low	32 Å²	32	99.2 Å²	99.2	22%	0.224	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-73.3	117.4	172.5	63	0	0	0	0	110.7	Q9 P10	Q9-S13 WeakPolarHBondContact CB-OG 3.39Å; Q9-S13 PolarHBondContact OE1-OG 3.28Å; P10-S13 PolarHBondContact O-N 3.47Å; P10-S13 VanDerWaalsContact O-N 3.12Å; P10-S13 PolarHBondContact O-OG 2.69Å
14	G	73.4	Confident	68.2	Low	16 Å²	16	97.2 Å²	97.2	17%	0.165	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-60.3	167.4	169.5	0	0	0	0	0	112.5	G12 L233	G12-G14 PolarHBondContact O-N 3.34Å; G14-L233 CarbonylContact C-O 3.55Å; G14-L233 WeakPolarHBondContact CA-O 3.31Å
15	L	86.3	Confident	71	Confident	43 Å²	43	93.1 Å²	93.1	23%	0.225	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-68.6	131.9	171.9	-63	174.2	0	0	0	109.4	R172 L193 L231 L233	L15-R172 PolarHBondContact O-NH2 2.74Å; L15-L193 HydrophobicContact CD1-CD1 4.02Å; L15-L231 HydrophobicContact CD1-CD1 4.45Å; L15-L231 HydrophobicContact CD1-CD2 3.89Å; L15-L231 HydrophobicContact CD1-CG 4.23Å; L15-L233 HydrophobicContact CB-CB 4.29Å; L15-L233 HydrophobicContact CB-CD2 4.09Å; L15-L233 HydrophobicContact CD1-CD2 4.09Å; L15-L233 PolarHBondContact N-O 3.13Å
16	E	88.4	Confident	74	Confident	166 Å²	166	86.6 Å²	86.6	78%	0.776	47%	0.471	S	S	*	.	S	Bend	trans	-83.2	-32.9	-178	-65.8	-177	172.4	0	0	112.5	E18	E16-E18 PolarHBondContact O-N 2.94Å
17	D	88.9	Confident	76.8	Confident	98 Å²	98	78.3 Å²	78.3	52%	0.524	45%	0.445	S	S	.	.			trans	-76	107	178	176.9	29.9	0	0	0	111.5	G19 R174	D17-G19 PolarHBondContact OD1-N 3.06Å; D17-R174 IonicContact OD1-NH1 3.76Å; D17-R174 IonicContact OD2-NH1 3.07Å; D17-R174 PolarHBondContact OD2-NH1 3.5Å
18	E	91.6	Very high	79.5	Confident	51 Å²	51	67.8 Å²	67.8	24%	0.238	41%	0.41	C	S	.	.			trans	-90	-8.5	178.1	-59.9	-154.3	-145	0	0	114.2	E16 R172 R174 T213 R215 L233	E16-E18 PolarHBondContact O-N 2.94Å; E18-R172 IonicContact OE1-CZ 3.52Å; E18-R172 IonicContact OE1-NH1 2.66Å; E18-R172 PolarHBondContact OE1-NH1 2.95Å; E18-R172 IonicContact OE2-NH1 2.77Å; E18-R174 WeakPolarHBondContact O-CD 3.07Å; E18-T213 PolarHBondContact O-OG1 3.38Å; E18-T213 WeakPolarHBondContact OE2-CG2 3.38Å; E18-R215 IonicContact OE1-NH2 3.05Å; E18-R215 IonicContact OE2-CZ 3.2Å; E18-R215 IonicContact OE2-NH1 3.26Å; E18-R215 IonicContact OE2-NH2 2.69Å; E18-R215 PolarHBondContact OE2-NH2 3.19Å; E18-L233 HydrophobicContact CB-CD1 4.29Å; E18-L233 HydrophobicContact CG-CD1 4.01Å
19	G	91.4	Very high	82.1	Confident	34 Å²	34	67.4 Å²	67.4	35%	0.351	41%	0.407	S	S	.	.			trans	67.7	-174.2	-173.2	0	0	0	0	0	114.9	D17 R174	D17-G19 PolarHBondContact OD1-N 3.06Å; G19-R174 VanDerWaalsContact CA-NH2 3.29Å
20	G	94.6	Very high	84.7	Confident	43 Å²	43	67.2 Å²	67.2	44%	0.443	41%	0.407	S	S	.	.			trans	-82	179.1	170	0	0	0	0	0	112.6
21	C	97.7	Very high	87.5	Confident	68 Å²	68	62.9 Å²	62.9	46%	0.459	38%	0.378	S	S	.	.			trans	-128.9	109.1	167.6	-168.2	0	0	0	0	109.1	E211 C212	C21-E211 CarbonylContact C-O 3.59Å; C21-E211 VanDerWaalsContact CA-O 3.29Å; C21-E211 WeakPolarHBondContact CA-O 3.29Å; C21-C212 HydrophobicContact CB-CB 3.95Å; C21-C212 WeakPolarHBondContact CB-SG 3.2Å; C21-C212 WeakPolarHBondContact SG-CB 3.21Å; C21-C212 CovalentContact SG-SG 2.04Å; C21-C212 PolarHBondContact SG-SG 3.02Å
22	S	98.1	Very high	90.4	Very high	65 Å²	65	55.8 Å²	55.8	46%	0.455	35%	0.351	S	S	.	.			trans	-109.4	-2.1	177.8	56.7	0	0	0	0	113	L210 E211	S22-L210 WeakPolarHBondContact OG-CA 3.31Å; S22-E211 PolarHBondContact N-O 3.11Å; S22-E211 PolarHBondContact OG-N 3.24Å; S22-E211 PolarHBondContact OG-O 3.47Å
23	I	98.6	Very high	92.6	Very high	8 Å²	8	55.2 Å²	55.2	4%	0.041	33%	0.333	C	S	.	.	S	Bend	trans	-79.9	138.7	171.4	-56.1	171.1	0	0	0	108.8	V25 P45 I47 L177 L210 C212 L220	I23-V25 PolarHBondContact O-N 3.26Å; I23-P45 HydrophobicContact CG2-CB 4.22Å; I23-I47 HydrophobicContact CB-CD1 4.35Å; I23-I47 HydrophobicContact CD1-CD1 4.46Å; I23-I47 HydrophobicContact CG2-CD1 4.42Å; I23-I47 HydrophobicContact CG2-CG1 4.05Å; I23-L177 HydrophobicContact CD1-CD1 3.44Å; I23-L177 VanDerWaalsContact CD1-CD1 3.44Å; I23-L177 HydrophobicContact CG1-CD1 4.4Å; I23-L210 HydrophobicContact CG1-CB 4.14Å; I23-C212 HydrophobicContact CB-CB 4.31Å; I23-C212 HydrophobicContact CD1-CB 3.8Å; I23-C212 HydrophobicContact CG1-CB 4.22Å; I23-L220 HydrophobicContact CD1-CD1 3.97Å; I23-L220 HydrophobicContact CG2-CD1 4.43Å
24	E	98.5	Very high	94.4	Very high	56 Å²	56	59.7 Å²	59.7	26%	0.262	35%	0.351	S	S	.	.			trans	-62.2	133.5	174.7	-174.8	170.8	150.4	0	0	110.5	L26 R39 R44 V46 I47	E24-L26 HydrophobicContact CG-CD2 4.32Å; E24-L26 HydrophobicContact CG-CG 4.35Å; E24-R39 IonicContact OE1-CZ 3.97Å; E24-R39 IonicContact OE1-NH2 2.76Å; E24-R39 PolarHBondContact OE1-NH2 3.1Å; E24-R44 IonicContact OE1-NH2 3.48Å; E24-R44 IonicContact OE2-CZ 2.8Å; E24-R44 IonicContact OE2-NH1 3.61Å; E24-R44 PolarHBondContact OE2-NH1 3.25Å; E24-R44 IonicContact OE2-NH2 3.65Å; E24-R44 PolarHBondContact OE2-NH2 2.82Å; E24-V46 WeakPolarHBondContact O-CG2 3.45Å; E24-I47 PolarHBondContact O-N 3.29Å
25	V	98.4	Very high	95.6	Very high	49 Å²	49	62.4 Å²	62.4	30%	0.297	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.5	-179.6	-172.2	0	0	0	0	108.8	I23 I47 R49	I23-V25 PolarHBondContact O-N 3.26Å; V25-I47 CarbonylContact C-O 3.51Å; V25-I47 WeakPolarHBondContact CA-O 3.43Å; V25-I47 HydrophobicContact CG1-CB 4.35Å; V25-I47 HydrophobicContact CG1-CG2 4.08Å; V25-I47 HydrophobicContact CG2-CB 4.18Å; V25-R49 HydrophobicContact CG1-CG 3.99Å
26	L	98.3	Very high	96.2	Very high	21 Å²	21	60.4 Å²	60.4	11%	0.11	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152.4	178.8	-61.8	177.8	0	0	0	110.7	E24 L31 F40 V46 I47 I48 R49	E24-L26 HydrophobicContact CG-CD2 4.32Å; E24-L26 HydrophobicContact CG-CG 4.35Å; L26-L31 HydrophobicContact CD1-CB 4.35Å; L26-L31 HydrophobicContact CD1-CD1 4.11Å; L26-L31 HydrophobicContact CD1-CD2 4.3Å; L26-L31 HydrophobicContact CD1-CG 4.5Å; L26-F40 HydrophobicContact CD1-CE2 3.71Å; L26-F40 HydrophobicContact CD1-CZ 3.75Å; L26-V46 HydrophobicContact CD1-CG2 4.11Å; L26-V46 HydrophobicContact CG-CG2 4.26Å; L26-I47 PolarHBondContact N-O 2.79Å; L26-I48 WeakPolarHBondContact O-CA 3.35Å; L26-R49 PolarHBondContact O-N 3.26Å
27	D	97.8	Very high	96.6	Very high	70 Å²	70	54.7 Å²	54.7	37%	0.374	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	144	162.8	-171.1	-86	0	0	0	109.8	S29 E30	D27-S29 PolarHBondContact O-N 3.03Å; D27-S29 VanDerWaalsContact O-N 3.16Å; D27-S29 VanDerWaalsContact OD1-CB 3.24Å; D27-S29 WeakPolarHBondContact OD1-CB 3.43Å; D27-S29 PolarHBondContact OD1-N 2.85Å; D27-S29 PolarHBondContact OD1-OG 2.77Å; D27-E30 HydrophobicContact CB-CG 4.07Å; D27-E30 PolarHBondContact N-OE2 3.35Å; D27-E30 VanDerWaalsContact N-OE2 3.1Å; D27-E30 WeakPolarHBondContact O-CB 3.23Å; D27-E30 PolarHBondContact O-N 2.81Å
28	G	94.7	Very high	97.1	Very high	15 Å²	15	56.2 Å²	56.2	16%	0.155	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-58.4	-28	179.6	0	0	0	0	0	113.2	E30 L31 R49	G28-E30 PolarHBondContact O-N 3.37Å; G28-L31 PolarHBondContact O-N 2.96Å; G28-R49 PolarHBondContact N-O 2.8Å
29	S	96.2	Very high	97.4	Very high	107 Å²	107	57.8 Å²	57.8	75%	0.748	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-69.8	-17.5	174.8	66.5	0	0	0	0	113.9	D27	D27-S29 PolarHBondContact O-N 3.03Å; D27-S29 VanDerWaalsContact O-N 3.16Å; D27-S29 VanDerWaalsContact OD1-CB 3.24Å; D27-S29 WeakPolarHBondContact OD1-CB 3.43Å; D27-S29 PolarHBondContact OD1-N 2.85Å; D27-S29 PolarHBondContact OD1-OG 2.77Å
30	E	96.1	Very high	97.7	Very high	111 Å²	111	56.1 Å²	56.1	52%	0.519	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-95	-4.9	-177.8	-58.9	174.8	146.9	0	0	113	D27 G28	D27-E30 HydrophobicContact CB-CG 4.07Å; D27-E30 PolarHBondContact N-OE2 3.35Å; D27-E30 VanDerWaalsContact N-OE2 3.1Å; D27-E30 WeakPolarHBondContact O-CB 3.23Å; D27-E30 PolarHBondContact O-N 2.81Å; G28-E30 PolarHBondContact O-N 3.37Å
31	L	98.1	Very high	97.9	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.031	29%	0.293	C	S	.	.			trans	-127.6	98.2	-172.8	-174.1	66.3	0	0	0	111.6	L26 G28 Q35 F36 F40 I48 Y136	L26-L31 HydrophobicContact CD1-CB 4.35Å; L26-L31 HydrophobicContact CD1-CD1 4.11Å; L26-L31 HydrophobicContact CD1-CD2 4.3Å; L26-L31 HydrophobicContact CD1-CG 4.5Å; G28-L31 PolarHBondContact O-N 2.96Å; L31-Q35 HydrophobicContact CD1-CB 3.84Å; L31-F36 HydrophobicContact CD1-CB 4.27Å; L31-F36 HydrophobicContact CD2-CB 4.31Å; L31-F36 HydrophobicContact CD2-CD2 4.37Å; L31-F36 HydrophobicContact CG-CB 4.21Å; L31-F40 HydrophobicContact CD1-CD2 3.99Å; L31-F40 HydrophobicContact CD1-CE2 3.76Å; L31-F40 HydrophobicContact CD2-CD2 4.41Å; L31-F40 HydrophobicContact CD2-CE2 4.47Å; L31-I48 HydrophobicContact CD2-CD1 3.65Å; L31-I48 HydrophobicContact CD2-CG1 3.87Å; L31-Y136 WeakPolarHBondContact CB-OH 3.49Å; L31-Y136 HydrophobicContact CD2-CE1 4.22Å; L31-Y136 HydrophobicContact CD2-CE2 4.36Å; L31-Y136 HydrophobicContact CG-CE1 4.06Å; L31-Y136 VanDerWaalsContact O-CE1 3.25Å; L31-Y136 WeakPolarHBondContact O-CE1 3.37Å; L31-Y136 PolarHBondContact O-OH 2.79Å
32	S	98.3	Very high	97.8	Very high	56 Å²	56	57.6 Å²	57.6	39%	0.392	30%	0.301	S	S	.	.			trans	-72.3	161.5	169	67	0	0	0	0	112.2	Q34 Q35 F36	S32-Q34 VanDerWaalsContact C-N 3.27Å; S32-Q34 PolarHBondContact O-N 3.11Å; S32-Q35 PolarHBondContact O-N 3.37Å; S32-Q35 WeakPolarHBondContact OG-CG 3.49Å; S32-Q35 PolarHBondContact OG-N 3.09Å; S32-Q35 PolarHBondContact OG-OE1 2.97Å; S32-F36 PolarHBondContact O-N 2.96Å
33	Q	98.2	Very high	97.8	Very high	44 Å²	44	57.1 Å²	57.1	21%	0.206	30%	0.297	C	S	.	.	H	α-helix	trans	-55.2	-40.5	173.7	173.1	58.9	19.2	0	0	112.8	F36 L37 Y136 F137	Q33-F36 PolarHBondContact O-N 3.03Å; Q33-L37 HydrophobicContact CG-CD1 4.49Å; Q33-L37 WeakPolarHBondContact O-CG 3.45Å; Q33-L37 PolarHBondContact O-N 2.97Å; Q33-Y136 VanDerWaalsContact OE1-CA 3.28Å; Q33-F137 HydrophobicContact CG-CD1 4.45Å; Q33-F137 HydrophobicContact CG-CE1 3.92Å; Q33-F137 HydrophobicContact CG-CZ 4.35Å; Q33-F137 PolarHBondContact NE2-O 3.15Å
34	Q	98.3	Very high	97.8	Very high	127 Å²	127	61.2 Å²	61.2	59%	0.593	31%	0.312	S	S	*	.	H	α-helix	trans	-64.7	-47.7	178	-179.6	177	-1.6	0	0	111.2	S32 F36 L37 E38	S32-Q34 VanDerWaalsContact C-N 3.27Å; S32-Q34 PolarHBondContact O-N 3.11Å; Q34-F36 VanDerWaalsContact C-N 3.28Å; Q34-F36 PolarHBondContact O-N 2.98Å; Q34-L37 PolarHBondContact O-N 3.33Å; Q34-E38 HydrophobicContact CG-CG 4.43Å; Q34-E38 VanDerWaalsContact CG-OE1 3.25Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.47Å; Q34-E38 PolarHBondContact NE2-OE1 3.19Å; Q34-E38 WeakPolarHBondContact O-CG 3.46Å; Q34-E38 PolarHBondContact O-N 3.09Å
35	Q	98.4	Very high	97.8	Very high	73 Å²	73	58.7 Å²	58.7	34%	0.341	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-36	177.7	-71.8	164.2	-46.7	0	0	111.9	L31 S32 R39	L31-Q35 HydrophobicContact CD1-CB 3.84Å; S32-Q35 PolarHBondContact O-N 3.37Å; S32-Q35 WeakPolarHBondContact OG-CG 3.49Å; S32-Q35 PolarHBondContact OG-N 3.09Å; S32-Q35 PolarHBondContact OG-OE1 2.97Å; Q35-R39 WeakPolarHBondContact O-CB 3.4Å; Q35-R39 WeakPolarHBondContact O-CG 3.48Å; Q35-R39 PolarHBondContact O-N 3.47Å
36	F	98.6	Very high	97.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-49.2	173.2	169.2	-103	0	0	0	111.6	L31 S32 Q33 Q34 E38 F40 A41 Y136 L138 F165 Y221	L31-F36 HydrophobicContact CD1-CB 4.27Å; L31-F36 HydrophobicContact CD2-CB 4.31Å; L31-F36 HydrophobicContact CD2-CD2 4.37Å; L31-F36 HydrophobicContact CG-CB 4.21Å; S32-F36 PolarHBondContact O-N 2.96Å; Q33-F36 PolarHBondContact O-N 3.03Å; Q34-F36 VanDerWaalsContact C-N 3.28Å; Q34-F36 PolarHBondContact O-N 2.98Å; F36-E38 PolarHBondContact O-N 3.47Å; F36-F40 HydrophobicContact CD2-CB 4.16Å; F36-F40 HydrophobicContact CE2-CB 4.34Å; F36-F40 PolarHBondContact O-N 2.83Å; F36-A41 HydrophobicContact CD1-CB 4.34Å; F36-A41 HydrophobicContact CE1-CB 3.94Å; F36-A41 HydrophobicContact CZ-CB 4.2Å; F36-A41 PolarHBondContact O-N 3.09Å; F36-Y136 HydrophobicContact CB-CD1 3.7Å; F36-Y136 HydrophobicContact CB-CE1 4.03Å; F36-Y136 HydrophobicContact CB-CG 4.4Å; F36-Y136 HydrophobicContact CD1-CD1 4.12Å; F36-Y136 HydrophobicContact CD1-CG 4.19Å; F36-Y136 HydrophobicContact CD2-CD1 4.39Å; F36-Y136 HydrophobicContact CD2-CG 4.27Å; F36-Y136 AromaticContact CG-CD1 3.81Å; F36-Y136 HydrophobicContact CG-CD1 3.81Å; F36-Y136 HydrophobicContact CG-CE1 4.49Å; F36-Y136 HydrophobicContact CG-CG 4.01Å; F36-L138 HydrophobicContact CE1-CD2 4.05Å; F36-F165 HydrophobicContact CE1-CZ 4.37Å; F36-F165 HydrophobicContact CE2-CE1 4.14Å; F36-F165 HydrophobicContact CE2-CZ 4.14Å; F36-F165 HydrophobicContact CZ-CE1 4.16Å; F36-F165 AromaticContact CZ-CZ 3.71Å; F36-F165 HydrophobicContact CZ-CZ 3.71Å; F36-Y221 AromaticContact CE2-CD1 3.69Å; F36-Y221 HydrophobicContact CE2-CD1 3.69Å; F36-Y221 AromaticContact CE2-CD2 3.93Å; F36-Y221 HydrophobicContact CE2-CD2 3.93Å; F36-Y221 AromaticContact CE2-CE1 3.97Å; F36-Y221 HydrophobicContact CE2-CE1 3.97Å; F36-Y221 HydrophobicContact CE2-CE2 4.18Å; F36-Y221 AromaticContact CE2-CG 3.66Å; F36-Y221 HydrophobicContact CE2-CG 3.66Å; F36-Y221 HydrophobicContact CZ-CD1 4.07Å; F36-Y221 AromaticContact CZ-CD2 3.76Å; F36-Y221 HydrophobicContact CZ-CD2 3.76Å; F36-Y221 AromaticContact CZ-CE1 3.95Å; F36-Y221 HydrophobicContact CZ-CE1 3.95Å; F36-Y221 AromaticContact CZ-CE2 3.62Å; F36-Y221 HydrophobicContact CZ-CE2 3.62Å; F36-Y221 AromaticContact CZ-CG 3.98Å; F36-Y221 HydrophobicContact CZ-CG 3.98Å; F36-Y221 AromaticContact CZ-CZ 3.71Å
37	L	98.5	Very high	97.9	Very high	46 Å²	46	55.4 Å²	55.4	24%	0.241	28%	0.281	C	S	.	.	I	π-helix	trans	-61.8	-44	178.5	-70.3	175.6	0	0	0	112.6	Q33 Q34 A41 F42 L138	Q33-L37 HydrophobicContact CG-CD1 4.49Å; Q33-L37 WeakPolarHBondContact O-CG 3.45Å; Q33-L37 PolarHBondContact O-N 2.97Å; Q34-L37 PolarHBondContact O-N 3.33Å; L37-A41 HydrophobicContact CD2-CB 3.96Å; L37-F42 HydrophobicContact CD2-CE2 4.29Å; L37-L138 HydrophobicContact CD2-CD2 3.88Å
38	E	98.1	Very high	97.9	Very high	130 Å²	130	52 Å²	52	61%	0.607	26%	0.264	S	S	*	.	I	π-helix	trans	-73.8	-37.7	-176.6	-71	171.5	-179.4	0	0	112.9	Q34 F36	Q34-E38 HydrophobicContact CG-CG 4.43Å; Q34-E38 VanDerWaalsContact CG-OE1 3.25Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.47Å; Q34-E38 PolarHBondContact NE2-OE1 3.19Å; Q34-E38 WeakPolarHBondContact O-CG 3.46Å; Q34-E38 PolarHBondContact O-N 3.09Å; F36-E38 PolarHBondContact O-N 3.47Å
39	R	98.3	Very high	98.1	Very high	84 Å²	84	57 Å²	57	32%	0.317	28%	0.278	S	S	.	.	I	π-helix	trans	-100.7	-25.8	-169.4	-64.6	168.9	59.6	-165.9	-1.9	114.8	E24 Q35 S43	E24-R39 IonicContact OE1-CZ 3.97Å; E24-R39 IonicContact OE1-NH2 2.76Å; E24-R39 PolarHBondContact OE1-NH2 3.1Å; Q35-R39 WeakPolarHBondContact O-CB 3.4Å; Q35-R39 WeakPolarHBondContact O-CG 3.48Å; Q35-R39 PolarHBondContact O-N 3.47Å; R39-S43 PolarHBondContact O-OG 3.38Å
40	F	98.6	Very high	98	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.272	C	S	.	.	I	π-helix	trans	-133.1	-45.9	-166.5	-59.2	-69.7	0	0	0	114.4	L26 L31 F36 F42 S43 R44 V46 Y221	L26-F40 HydrophobicContact CD1-CE2 3.71Å; L26-F40 HydrophobicContact CD1-CZ 3.75Å; L31-F40 HydrophobicContact CD1-CD2 3.99Å; L31-F40 HydrophobicContact CD1-CE2 3.76Å; L31-F40 HydrophobicContact CD2-CD2 4.41Å; L31-F40 HydrophobicContact CD2-CE2 4.47Å; F36-F40 HydrophobicContact CD2-CB 4.16Å; F36-F40 HydrophobicContact CE2-CB 4.34Å; F36-F40 PolarHBondContact O-N 2.83Å; F40-F42 PolarHBondContact O-N 3Å; F40-S43 VanDerWaalsContact CA-OG 3.24Å; F40-S43 WeakPolarHBondContact CA-OG 3.3Å; F40-S43 PolarHBondContact N-OG 3.22Å; F40-S43 PolarHBondContact O-N 3.05Å; F40-S43 PolarHBondContact O-OG 3.22Å; F40-R44 HydrophobicContact CD1-CG 3.89Å; F40-R44 HydrophobicContact CE1-CG 4.35Å; F40-R44 PolarHBondContact O-N 3.46Å; F40-V46 HydrophobicContact CB-CG1 3.99Å; F40-V46 HydrophobicContact CD1-CB 3.58Å; F40-V46 HydrophobicContact CD1-CG1 3.89Å; F40-V46 HydrophobicContact CD1-CG2 4.18Å; F40-V46 HydrophobicContact CD2-CB 4.44Å; F40-V46 HydrophobicContact CD2-CG1 4.17Å; F40-V46 HydrophobicContact CE1-CB 3.71Å; F40-V46 HydrophobicContact CE1-CG1 4.4Å; F40-V46 HydrophobicContact CE1-CG2 3.84Å; F40-V46 HydrophobicContact CE2-CG2 4.24Å; F40-V46 HydrophobicContact CG-CB 3.97Å; F40-V46 HydrophobicContact CG-CG1 3.75Å; F40-V46 HydrophobicContact CZ-CB 4.2Å; F40-V46 HydrophobicContact CZ-CG2 3.87Å; F40-Y221 HydrophobicContact CB-CD1 4.46Å
41	A	97.6	Very high	98	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.008	26%	0.256	C	S	.	.	I	π-helix	trans	-46.7	-39.9	-169.1	0	0	0	0	0	114.6	F36 L37 L138 Y221	F36-A41 HydrophobicContact CD1-CB 4.34Å; F36-A41 HydrophobicContact CE1-CB 3.94Å; F36-A41 HydrophobicContact CZ-CB 4.2Å; F36-A41 PolarHBondContact O-N 3.09Å; L37-A41 HydrophobicContact CD2-CB 3.96Å; A41-L138 HydrophobicContact CB-CD2 3.58Å; A41-Y221 WeakPolarHBondContact CA-OH 3.49Å; A41-Y221 PolarHBondContact O-OH 3.14Å
42	F	97.1	Very high	97.9	Very high	141 Å²	141	51.7 Å²	51.7	62%	0.618	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	12.3	-175.9	-51	-69.8	0	0	0	113.5	L37 F40 L138	L37-F42 HydrophobicContact CD2-CE2 4.29Å; F40-F42 PolarHBondContact O-N 3Å; F42-L138 HydrophobicContact CE1-CD2 4.26Å; F42-L138 HydrophobicContact CZ-CD2 4Å
43	S	97.7	Very high	97.8	Very high	55 Å²	55	53.5 Å²	53.5	39%	0.385	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-62.1	-168.9	55.6	0	0	0	0	112.2	R39 F40 W226	R39-S43 PolarHBondContact O-OG 3.38Å; F40-S43 VanDerWaalsContact CA-OG 3.24Å; F40-S43 WeakPolarHBondContact CA-OG 3.3Å; F40-S43 PolarHBondContact N-OG 3.22Å; F40-S43 PolarHBondContact O-N 3.05Å; F40-S43 PolarHBondContact O-OG 3.22Å; S43-W226 WeakPolarHBondContact O-CZ2 3.36Å; S43-W226 PolarHBondContact O-NE1 3.2Å
44	R	98.4	Very high	97.7	Very high	94 Å²	94	52 Å²	52	36%	0.355	26%	0.26	S	S	.	.			trans	-154.9	157.5	-168.7	66.8	-172.4	175.3	123.5	5.5	113.7	E24 F40 P223 W226	E24-R44 IonicContact OE1-NH2 3.48Å; E24-R44 IonicContact OE2-CZ 2.8Å; E24-R44 IonicContact OE2-NH1 3.61Å; E24-R44 PolarHBondContact OE2-NH1 3.25Å; E24-R44 IonicContact OE2-NH2 3.65Å; E24-R44 PolarHBondContact OE2-NH2 2.82Å; F40-R44 HydrophobicContact CD1-CG 3.89Å; F40-R44 HydrophobicContact CE1-CG 4.35Å; F40-R44 PolarHBondContact O-N 3.46Å; R44-P223 VanDerWaalsContact C-CG 3.45Å; R44-W226 HydrophobicContact CB-CH2 4.34Å; R44-W226 HydrophobicContact CB-CZ2 4.06Å
45	P	98.8	Very high	97.6	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.019	26%	0.255	C	S	.	.			trans	-64.9	156.8	175.9	-19.6	32.3	0	0	0	113.2	I23 L177 L210 L220 Y221 W226	I23-P45 HydrophobicContact CG2-CB 4.22Å; P45-L177 HydrophobicContact CB-CD2 4.17Å; P45-L177 HydrophobicContact CG-CB 4.37Å; P45-L177 HydrophobicContact CG-CD2 3.76Å; P45-L210 HydrophobicContact CG-CD1 4.43Å; P45-L220 HydrophobicContact CB-CD1 4.34Å; P45-Y221 VanDerWaalsContact CA-O 3.22Å; P45-Y221 WeakPolarHBondContact CA-O 3.34Å; P45-Y221 WeakPolarHBondContact CB-O 3.35Å; P45-W226 VanDerWaalsContact CD-CH2 3.42Å; P45-W226 VanDerWaalsContact CD-CZ3 3.45Å; P45-W226 HydrophobicContact CG-CD2 3.98Å; P45-W226 HydrophobicContact CG-CE3 3.56Å; P45-W226 HydrophobicContact CG-CH2 4.19Å; P45-W226 HydrophobicContact CG-CZ3 3.67Å
46	V	98.8	Very high	97.6	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	145.7	174	60.1	0	0	0	0	110.1	E24 L26 F40 I48 Y221	E24-V46 WeakPolarHBondContact O-CG2 3.45Å; L26-V46 HydrophobicContact CD1-CG2 4.11Å; L26-V46 HydrophobicContact CG-CG2 4.26Å; F40-V46 HydrophobicContact CB-CG1 3.99Å; F40-V46 HydrophobicContact CD1-CB 3.58Å; F40-V46 HydrophobicContact CD1-CG1 3.89Å; F40-V46 HydrophobicContact CD1-CG2 4.18Å; F40-V46 HydrophobicContact CD2-CB 4.44Å; F40-V46 HydrophobicContact CD2-CG1 4.17Å; F40-V46 HydrophobicContact CE1-CB 3.71Å; F40-V46 HydrophobicContact CE1-CG1 4.4Å; F40-V46 HydrophobicContact CE1-CG2 3.84Å; F40-V46 HydrophobicContact CE2-CG2 4.24Å; F40-V46 HydrophobicContact CG-CB 3.97Å; F40-V46 HydrophobicContact CG-CG1 3.75Å; F40-V46 HydrophobicContact CZ-CB 4.2Å; F40-V46 HydrophobicContact CZ-CG2 3.87Å; V46-I48 HydrophobicContact CG1-CD1 3.97Å; V46-I48 HydrophobicContact CG1-CG1 4.06Å; V46-I48 HydrophobicContact CG2-CG1 4.13Å; V46-Y221 HydrophobicContact CG1-CD1 4.47Å; V46-Y221 PolarHBondContact N-O 2.93Å; V46-Y221 PolarHBondContact O-N 2.96Å
47	I	98.8	Very high	97.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.8	167.4	-67	173.8	0	0	0	108.7	I23 E24 V25 L26 C212 V214 E218 V219 L220	I23-I47 HydrophobicContact CB-CD1 4.35Å; I23-I47 HydrophobicContact CD1-CD1 4.46Å; I23-I47 HydrophobicContact CG2-CD1 4.42Å; I23-I47 HydrophobicContact CG2-CG1 4.05Å; E24-I47 PolarHBondContact O-N 3.29Å; V25-I47 CarbonylContact C-O 3.51Å; V25-I47 WeakPolarHBondContact CA-O 3.43Å; V25-I47 HydrophobicContact CG1-CB 4.35Å; V25-I47 HydrophobicContact CG1-CG2 4.08Å; V25-I47 HydrophobicContact CG2-CB 4.18Å; L26-I47 PolarHBondContact N-O 2.79Å; I47-C212 HydrophobicContact CD1-CB 3.43Å; I47-C212 VanDerWaalsContact CD1-CB 3.43Å; I47-C212 WeakPolarHBondContact CD1-SG 3.26Å; I47-V214 HydrophobicContact CD1-CG2 4.35Å; I47-E218 HydrophobicContact CG2-CB 4.07Å; I47-V219 CarbonylContact C-O 3.5Å; I47-V219 WeakPolarHBondContact CA-O 3.41Å; I47-L220 HydrophobicContact CG1-CB 4.49Å; I47-L220 HydrophobicContact CG1-CD1 3.87Å
48	I	98.6	Very high	97.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.3	-176.1	-51.1	158.1	0	0	0	107.6	L26 L31 V46 V51 Y136 V219	L26-I48 WeakPolarHBondContact O-CA 3.35Å; L31-I48 HydrophobicContact CD2-CD1 3.65Å; L31-I48 HydrophobicContact CD2-CG1 3.87Å; V46-I48 HydrophobicContact CG1-CD1 3.97Å; V46-I48 HydrophobicContact CG1-CG1 4.06Å; V46-I48 HydrophobicContact CG2-CG1 4.13Å; I48-V51 HydrophobicContact CB-CG1 4.41Å; I48-V51 HydrophobicContact CG2-CB 3.85Å; I48-V51 HydrophobicContact CG2-CG1 4Å; I48-V51 HydrophobicContact CG2-CG2 4.26Å; I48-Y136 HydrophobicContact CD1-CD2 3.99Å; I48-Y136 HydrophobicContact CD1-CE2 3.58Å; I48-Y136 HydrophobicContact CG2-CE2 4.23Å; I48-V219 PolarHBondContact N-O 3.17Å; I48-V219 PolarHBondContact O-N 3.28Å
49	R	98	Very high	97.4	Very high	119 Å²	119	53.4 Å²	53.4	45%	0.449	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	146.6	-178.3	-64	-173.1	165.4	151.2	0.6	111.1	V25 L26 G28 V51 E218	V25-R49 HydrophobicContact CG1-CG 3.99Å; L26-R49 PolarHBondContact O-N 3.26Å; G28-R49 PolarHBondContact N-O 2.8Å; R49-V51 PolarHBondContact O-N 2.93Å; R49-E218 HydrophobicContact CG-CG 4.19Å; R49-E218 IonicContact CZ-OE1 3.26Å; R49-E218 VanDerWaalsContact CZ-OE1 3.26Å; R49-E218 IonicContact NE-OE1 2.8Å; R49-E218 PolarHBondContact NE-OE1 2.59Å; R49-E218 IonicContact NH2-OE1 2.84Å; R49-E218 PolarHBondContact NH2-OE1 2.87Å
50	G	95.3	Very high	97.4	Very high	61 Å²	61	52.5 Å²	52.5	63%	0.629	27%	0.268	S	S	*	.	S	Bend	trans	63.9	24.5	168.9	0	0	0	0	0	114.5	G217	G50-G217 PolarHBondContact N-O 3.16Å
51	V	96.4	Very high	97.4	Very high	29 Å²	29	52.6 Å²	52.6	18%	0.176	27%	0.268	C	S	.	.			trans	-95.5	-13.4	-177.9	79.9	0	0	0	0	113.5	I48 R49 P134 P135 Y136 V219	I48-V51 HydrophobicContact CB-CG1 4.41Å; I48-V51 HydrophobicContact CG2-CB 3.85Å; I48-V51 HydrophobicContact CG2-CG1 4Å; I48-V51 HydrophobicContact CG2-CG2 4.26Å; R49-V51 PolarHBondContact O-N 2.93Å; V51-P134 HydrophobicContact CG1-CB 4.35Å; V51-P135 VanDerWaalsContact CG2-CD 3.44Å; V51-P135 HydrophobicContact CG2-CG 3.65Å; V51-Y136 HydrophobicContact CG2-CE2 3.77Å; V51-V219 HydrophobicContact CG1-CB 4.32Å; V51-V219 HydrophobicContact CG1-CG2 3.9Å
52	T	95.4	Very high	97.4	Very high	23 Å²	23	53.9 Å²	53.9	14%	0.141	28%	0.278	C	S	.	.			trans	-127.2	146.6	175.8	54	0	0	0	0	109.9	Q132 P134 E167 V219	T52-Q132 VanDerWaalsContact CG2-O 3.26Å; T52-Q132 WeakPolarHBondContact CG2-O 3.29Å; T52-P134 HydrophobicContact CG2-CB 4.44Å; T52-P134 HydrophobicContact CG2-CG 4.17Å; T52-E167 PolarHBondContact OG1-OE1 3.48Å; T52-E167 PolarHBondContact OG1-OE2 3.43Å; T52-E167 VanDerWaalsContact OG1-OE2 3.06Å; T52-V219 HydrophobicContact CG2-CG2 4.45Å
53	D	95.4	Very high	97.3	Very high	94 Å²	94	54.2 Å²	54.2	50%	0.503	28%	0.275	S	S	.	.			trans	-112.2	92.3	165.1	178.8	7.6	0	0	0	109.2	T55 Q132	D53-T55 WeakPolarHBondContact OD1-CB 3.23Å; D53-T55 PolarHBondContact OD1-N 2.92Å; D53-T55 VanDerWaalsContact OD1-N 3.13Å; D53-T55 PolarHBondContact OD1-OG1 3.18Å; D53-Q132 PolarHBondContact O-NE2 3.36Å
54	N	97.2	Very high	97.3	Very high	13 Å²	13	55.8 Å²	55.8	7%	0.07	29%	0.286	C	S	.	.			trans	-101.6	22.1	179.1	-79.8	-49.7	0	0	0	112.9	R56 F57 Q58 Y131 Q132 E167	N54-R56 VanDerWaalsContact C-N 3.32Å; N54-R56 PolarHBondContact O-N 3.06Å; N54-F57 HydrophobicContact CB-CB 4.13Å; N54-F57 HydrophobicContact CB-CD1 4.48Å; N54-F57 CarbonylContact O-C 3.58Å; N54-F57 WeakPolarHBondContact O-CB 3.43Å; N54-F57 PolarHBondContact O-N 3.2Å; N54-Q58 WeakPolarHBondContact O-CB 3.41Å; N54-Q58 PolarHBondContact O-N 2.78Å; N54-Y131 WeakPolarHBondContact ND2-CE2 3.37Å; N54-Y131 WeakPolarHBondContact OD1-CD2 3.47Å; N54-Q132 PolarHBondContact ND2-O 3.49Å; N54-Q132 VanDerWaalsContact ND2-O 3.07Å; N54-Q132 PolarHBondContact OD1-N 2.86Å; N54-E167 PolarHBondContact ND2-OE1 3.46Å; N54-E167 PolarHBondContact ND2-OE2 2.98Å
55	T	96.6	Very high	97.2	Very high	82 Å²	82	52.3 Å²	52.3	50%	0.503	28%	0.279	S	S	.	.	H	α-helix	trans	-53.5	-48	-178.4	-54	0	0	0	0	112.1	D53 F57 Q58 D59	D53-T55 WeakPolarHBondContact OD1-CB 3.23Å; D53-T55 PolarHBondContact OD1-N 2.92Å; D53-T55 VanDerWaalsContact OD1-N 3.13Å; D53-T55 PolarHBondContact OD1-OG1 3.18Å; T55-F57 PolarHBondContact O-N 3.26Å; T55-Q58 WeakPolarHBondContact O-CB 3.22Å; T55-Q58 PolarHBondContact O-N 3.07Å; T55-D59 PolarHBondContact O-N 2.97Å; T55-D59 VanDerWaalsContact O-N 3.09Å
56	R	96.5	Very high	97.1	Very high	159 Å²	159	52.3 Å²	52.3	60%	0.6	28%	0.279	S	S	*	.	H	α-helix	trans	-66.4	-38.1	177.4	-177.2	-179.8	179.1	-179.1	3.4	112.8	N54 Q58 D59 L60	N54-R56 VanDerWaalsContact C-N 3.32Å; N54-R56 PolarHBondContact O-N 3.06Å; R56-Q58 VanDerWaalsContact C-N 3.33Å; R56-D59 PolarHBondContact O-N 2.94Å; R56-L60 WeakPolarHBondContact O-CG 3.22Å; R56-L60 PolarHBondContact O-N 2.88Å
57	F	97.8	Very high	97.1	Very high	1 Å²	1	54 Å²	54	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-65.9	-40.9	177.7	-179	-111.5	0	0	0	110.6	N54 T55 D59 L60 C61 L127 R130 Y131 F147 I169 I239	N54-F57 HydrophobicContact CB-CB 4.13Å; N54-F57 HydrophobicContact CB-CD1 4.48Å; N54-F57 CarbonylContact O-C 3.58Å; N54-F57 WeakPolarHBondContact O-CB 3.43Å; N54-F57 PolarHBondContact O-N 3.2Å; T55-F57 PolarHBondContact O-N 3.26Å; F57-D59 PolarHBondContact O-N 3.07Å; F57-L60 WeakPolarHBondContact O-CB 3.45Å; F57-L60 PolarHBondContact O-N 3.22Å; F57-C61 WeakPolarHBondContact O-CB 3.4Å; F57-C61 PolarHBondContact O-N 2.75Å; F57-C61 PolarHBondContact O-SG 3.47Å; F57-C61 VanDerWaalsContact O-SG 3.35Å; F57-L127 HydrophobicContact CD2-CD1 4.15Å; F57-L127 HydrophobicContact CE2-CD1 3.84Å; F57-L127 HydrophobicContact CE2-CG 3.79Å; F57-L127 WeakPolarHBondContact CE2-O 3.28Å; F57-L127 HydrophobicContact CZ-CG 4.5Å; F57-R130 HydrophobicContact CD2-CB 4.12Å; F57-Y131 AromaticContact CD1-CD2 3.78Å; F57-Y131 HydrophobicContact CD1-CD2 3.78Å; F57-Y131 AromaticContact CE1-CD2 3.72Å; F57-Y131 HydrophobicContact CE1-CD2 3.72Å; F57-Y131 HydrophobicContact CE1-CG 4.3Å; F57-Y131 HydrophobicContact CG-CD2 4.34Å; F57-Y131 HydrophobicContact CZ-CD2 4.26Å; F57-Y131 HydrophobicContact CZ-CG 4.39Å; F57-F147 HydrophobicContact CZ-CD2 4.22Å; F57-F147 HydrophobicContact CZ-CE2 4.26Å; F57-I169 HydrophobicContact CD1-CD1 3.68Å; F57-I169 HydrophobicContact CD1-CG1 4.01Å; F57-I169 HydrophobicContact CD1-CG2 4.39Å; F57-I169 HydrophobicContact CE1-CD1 3.74Å; F57-I169 HydrophobicContact CE1-CG1 3.71Å; F57-I239 HydrophobicContact CE1-CG2 4.36Å; F57-I239 HydrophobicContact CZ-CD1 4.14Å
58	Q	97.8	Very high	97	Very high	60 Å²	60	62.4 Å²	62.4	28%	0.28	33%	0.327	S	S	.	.	H	α-helix	trans	-57.3	-49	173.9	-175.4	178.4	59.4	0	0	111.5	N54 T55 R56 L60 C61 S62 I169 Y170	N54-Q58 WeakPolarHBondContact O-CB 3.41Å; N54-Q58 PolarHBondContact O-N 2.78Å; T55-Q58 WeakPolarHBondContact O-CB 3.22Å; T55-Q58 PolarHBondContact O-N 3.07Å; R56-Q58 VanDerWaalsContact C-N 3.33Å; Q58-L60 VanDerWaalsContact C-N 3.3Å; Q58-L60 PolarHBondContact O-N 3.16Å; Q58-C61 CarbonylContact O-C 3.59Å; Q58-C61 WeakPolarHBondContact O-CA 3.24Å; Q58-C61 WeakPolarHBondContact O-CB 3.31Å; Q58-C61 PolarHBondContact O-N 2.9Å; Q58-S62 PolarHBondContact O-N 2.82Å; Q58-I169 HydrophobicContact CB-CG2 3.82Å; Q58-I169 HydrophobicContact CG-CG2 3.89Å; Q58-I169 PolarHBondContact NE2-O 3.45Å; Q58-Y170 HydrophobicContact CG-CD2 4.45Å; Q58-Y170 HydrophobicContact CG-CE1 3.92Å; Q58-Y170 HydrophobicContact CG-CE2 3.78Å; Q58-Y170 VanDerWaalsContact CG-CZ 3.48Å; Q58-Y170 VanDerWaalsContact O-CE2 3.22Å; Q58-Y170 WeakPolarHBondContact O-CE2 3.34Å; Q58-Y170 PolarHBondContact O-OH 3.07Å
59	D	97.3	Very high	96.8	Very high	102 Å²	102	70.1 Å²	70.1	55%	0.545	36%	0.356	S	S	.	.	H	α-helix	trans	-56.4	-42.7	176.8	-71.2	-25.9	0	0	0	112.8	T55 R56 F57 C61 S62	T55-D59 PolarHBondContact O-N 2.97Å; T55-D59 VanDerWaalsContact O-N 3.09Å; R56-D59 PolarHBondContact O-N 2.94Å; F57-D59 PolarHBondContact O-N 3.07Å; D59-C61 VanDerWaalsContact C-N 3.27Å; D59-C61 PolarHBondContact O-N 3.31Å; D59-S62 VanDerWaalsContact O-CB 3.31Å; D59-S62 WeakPolarHBondContact O-CB 3.34Å; D59-S62 PolarHBondContact O-N 3.27Å; D59-S62 PolarHBondContact O-OG 3.06Å
60	L	97.6	Very high	96.7	Very high	66 Å²	66	65 Å²	65	35%	0.346	34%	0.337	S	S	.	.	H	α-helix	trans	-66.1	-30.6	176.4	-67.2	171.4	0	0	0	112.5	R56 F57 Q58 S62 L127 R130	R56-L60 WeakPolarHBondContact O-CG 3.22Å; R56-L60 PolarHBondContact O-N 2.88Å; F57-L60 WeakPolarHBondContact O-CB 3.45Å; F57-L60 PolarHBondContact O-N 3.22Å; Q58-L60 VanDerWaalsContact C-N 3.3Å; Q58-L60 PolarHBondContact O-N 3.16Å; L60-S62 VanDerWaalsContact C-N 3.26Å; L60-S62 PolarHBondContact O-N 2.76Å; L60-L127 HydrophobicContact CB-CD1 3.74Å; L60-L127 HydrophobicContact CD1-CD1 4.44Å; L60-R130 HydrophobicContact CD1-CB 3.97Å; L60-R130 HydrophobicContact CD1-CG 3.77Å
61	C	97.8	Very high	96.8	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.007	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	3.3	176.7	-73.8	0	0	0	0	114.1	F57 Q58 D59 L66 I169 Y170 V237	F57-C61 WeakPolarHBondContact O-CB 3.4Å; F57-C61 PolarHBondContact O-N 2.75Å; F57-C61 PolarHBondContact O-SG 3.47Å; F57-C61 VanDerWaalsContact O-SG 3.35Å; Q58-C61 CarbonylContact O-C 3.59Å; Q58-C61 WeakPolarHBondContact O-CA 3.24Å; Q58-C61 WeakPolarHBondContact O-CB 3.31Å; Q58-C61 PolarHBondContact O-N 2.9Å; D59-C61 VanDerWaalsContact C-N 3.27Å; D59-C61 PolarHBondContact O-N 3.31Å; C61-L66 VanDerWaalsContact O-CD1 3.22Å; C61-L66 WeakPolarHBondContact O-CD1 3.46Å; C61-I169 HydrophobicContact CB-CG2 3.92Å; C61-Y170 HydrophobicContact CB-CD2 4.3Å; C61-Y170 HydrophobicContact CB-CE2 3.97Å; C61-V237 HydrophobicContact CB-CG1 4.09Å
62	S	97.7	Very high	96.7	Very high	29 Å²	29	66.1 Å²	66.1	20%	0.203	34%	0.337	C	S	.	.	S	Bend	trans	-58.1	148.2	172.5	63.3	0	0	0	0	111.3	Q58 D59 L60 S64 G65 L66	Q58-S62 PolarHBondContact O-N 2.82Å; D59-S62 VanDerWaalsContact O-CB 3.31Å; D59-S62 WeakPolarHBondContact O-CB 3.34Å; D59-S62 PolarHBondContact O-N 3.27Å; D59-S62 PolarHBondContact O-OG 3.06Å; L60-S62 VanDerWaalsContact C-N 3.26Å; L60-S62 PolarHBondContact O-N 2.76Å; S62-S64 VanDerWaalsContact C-N 3.27Å; S62-S64 PolarHBondContact O-N 2.94Å; S62-G65 PolarHBondContact O-N 2.89Å; S62-G65 PolarHBondContact OG-N 2.82Å; S62-L66 WeakPolarHBondContact O-CG 3.19Å; S62-L66 PolarHBondContact O-N 3.21Å
63	R	96.4	Very high	96.7	Very high	148 Å²	148	67 Å²	67	56%	0.558	34%	0.341	S	S	*	.	H	α-helix	trans	-51.9	-46.6	179.7	-176.1	-178.1	-175.2	-89.7	-3.6	111.9	L67 V96 D97	R63-L67 HydrophobicContact CG-CD1 3.99Å; R63-L67 WeakPolarHBondContact O-CB 3.25Å; R63-L67 VanDerWaalsContact O-CG 3.31Å; R63-L67 WeakPolarHBondContact O-CG 3.32Å; R63-L67 PolarHBondContact O-N 3.13Å; R63-V96 HydrophobicContact CG-CG1 4.25Å; R63-D97 IonicContact CZ-OD1 3.91Å; R63-D97 IonicContact NH2-OD1 2.74Å; R63-D97 PolarHBondContact NH2-OD1 3.03Å
64	S	97.1	Very high	96.8	Very high	88 Å²	88	66.5 Å²	66.5	62%	0.615	34%	0.341	S	S	*	.	H	α-helix	trans	-65.4	-43.1	177.8	46.8	0	0	0	0	112.5	S62 Q68	S62-S64 VanDerWaalsContact C-N 3.27Å; S62-S64 PolarHBondContact O-N 2.94Å; S64-Q68 VanDerWaalsContact O-CB 3.23Å; S64-Q68 WeakPolarHBondContact O-CB 3.25Å; S64-Q68 PolarHBondContact O-N 2.77Å
65	G	96.3	Very high	96.7	Very high	20 Å²	20	66 Å²	66	21%	0.206	34%	0.338	C	S	.	.	H	α-helix	trans	-63.1	-45.2	178.7	0	0	0	0	0	112	S62 R69	S62-G65 PolarHBondContact O-N 2.89Å; S62-G65 PolarHBondContact OG-N 2.82Å; G65-R69 WeakPolarHBondContact O-CB 3.26Å; G65-R69 PolarHBondContact O-N 3.36Å
66	L	97.3	Very high	96.7	Very high	3 Å²	3	67.2 Å²	67.2	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-65.9	-46.5	177.8	-67.7	176.4	0	0	0	112	C61 S62 Q68 R69 Y70 F92 W124 L127 F147 I149	C61-L66 VanDerWaalsContact O-CD1 3.22Å; C61-L66 WeakPolarHBondContact O-CD1 3.46Å; S62-L66 WeakPolarHBondContact O-CG 3.19Å; S62-L66 PolarHBondContact O-N 3.21Å; L66-Q68 PolarHBondContact O-N 3.39Å; L66-R69 PolarHBondContact O-N 2.74Å; L66-Y70 HydrophobicContact CD2-CD2 3.95Å; L66-Y70 HydrophobicContact CD2-CE2 4.21Å; L66-Y70 WeakPolarHBondContact O-CA 3.28Å; L66-Y70 WeakPolarHBondContact O-CB 3.37Å; L66-Y70 PolarHBondContact O-N 3Å; L66-F92 HydrophobicContact CB-CE1 3.74Å; L66-F92 HydrophobicContact CB-CZ 4Å; L66-F92 HydrophobicContact CD1-CZ 4.42Å; L66-W124 HydrophobicContact CD2-CZ3 4.36Å; L66-L127 HydrophobicContact CD2-CD2 3.78Å; L66-F147 HydrophobicContact CD1-CZ 4.35Å; L66-I149 HydrophobicContact CD1-CD1 3.61Å
67	L	97.5	Very high	96.6	Very high	35 Å²	35	59.6 Å²	59.6	18%	0.183	31%	0.305	C	S	.	.	H	α-helix	trans	-63.5	-42.4	178.4	-77.2	175.2	0	0	0	112.3	R63 R69 G71 F92 Q93 V96	R63-L67 HydrophobicContact CG-CD1 3.99Å; R63-L67 WeakPolarHBondContact O-CB 3.25Å; R63-L67 VanDerWaalsContact O-CG 3.31Å; R63-L67 WeakPolarHBondContact O-CG 3.32Å; R63-L67 PolarHBondContact O-N 3.13Å; L67-R69 VanDerWaalsContact C-N 3.28Å; L67-R69 PolarHBondContact O-N 3.12Å; L67-G71 VanDerWaalsContact O-CA 3.25Å; L67-G71 WeakPolarHBondContact O-CA 3.4Å; L67-G71 PolarHBondContact O-N 2.87Å; L67-F92 HydrophobicContact CD2-CD1 4.35Å; L67-F92 HydrophobicContact CD2-CE1 4.27Å; L67-Q93 HydrophobicContact CD2-CB 4.21Å; L67-Q93 HydrophobicContact CD2-CG 4.24Å; L67-V96 HydrophobicContact CD1-CG1 4.06Å; L67-V96 HydrophobicContact CD2-CB 3.92Å; L67-V96 HydrophobicContact CD2-CG1 4.01Å; L67-V96 HydrophobicContact CD2-CG2 4.09Å; L67-V96 HydrophobicContact CG-CG1 4.24Å
68	Q	96.6	Very high	96.4	Very high	177 Å²	177	59.7 Å²	59.7	83%	0.827	31%	0.306	S	S	*	.	H	α-helix	trans	-60.9	-39.2	179.2	-178.2	-178.3	53.2	0	0	112	S64 L66	S64-Q68 VanDerWaalsContact O-CB 3.23Å; S64-Q68 WeakPolarHBondContact O-CB 3.25Å; S64-Q68 PolarHBondContact O-N 2.77Å; L66-Q68 PolarHBondContact O-N 3.39Å
69	R	95.6	Very high	96	Very high	162 Å²	162	56.9 Å²	56.9	61%	0.611	29%	0.293	S	S	*	.	H	α-helix	trans	-96.1	-32.5	-170.9	-161.9	169.6	-169.7	95.5	2.2	113.8	G65 L66 L67	G65-R69 WeakPolarHBondContact O-CB 3.26Å; G65-R69 PolarHBondContact O-N 3.36Å; L66-R69 PolarHBondContact O-N 2.74Å; L67-R69 VanDerWaalsContact C-N 3.28Å; L67-R69 PolarHBondContact O-N 3.12Å
70	Y	96.3	Very high	95.5	Very high	12 Å²	12	52 Å²	52	5%	0.047	27%	0.267	C	S	.	.	H	α-helix	trans	-122.4	-3.5	-171	-55.8	-74.3	0	0	0	113.5	L66 S72 L73 F92 W124 L127	L66-Y70 HydrophobicContact CD2-CD2 3.95Å; L66-Y70 HydrophobicContact CD2-CE2 4.21Å; L66-Y70 WeakPolarHBondContact O-CA 3.28Å; L66-Y70 WeakPolarHBondContact O-CB 3.37Å; L66-Y70 PolarHBondContact O-N 3Å; Y70-S72 VanDerWaalsContact C-N 3.29Å; Y70-S72 PolarHBondContact O-N 2.77Å; Y70-S72 VanDerWaalsContact O-N 3.16Å; Y70-L73 HydrophobicContact CD1-CD1 3.67Å; Y70-L73 WeakPolarHBondContact O-CB 3.36Å; Y70-L73 PolarHBondContact O-N 3.37Å; Y70-F92 VanDerWaalsContact O-CB 3.28Å; Y70-F92 WeakPolarHBondContact O-CB 3.42Å; Y70-W124 HydrophobicContact CD1-CD2 4.44Å; Y70-W124 HydrophobicContact CD1-CE3 4.42Å; Y70-W124 HydrophobicContact CD1-CH2 4.5Å; Y70-W124 HydrophobicContact CD1-CZ3 4.46Å; Y70-W124 HydrophobicContact CD2-CH2 4.39Å; Y70-W124 HydrophobicContact CD2-CZ3 4.14Å; Y70-W124 HydrophobicContact CG-CH2 4.02Å; Y70-W124 HydrophobicContact CG-CZ2 4.36Å; Y70-W124 HydrophobicContact CG-CZ3 4.1Å; Y70-L127 HydrophobicContact CE2-CB 4.3Å; Y70-L127 HydrophobicContact CE2-CD2 4.29Å; Y70-L127 WeakPolarHBondContact OH-CB 3.45Å
71	G	96.3	Very high	95	Very high	5 Å²	5	49 Å²	49	5%	0.052	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-41	-174.1	0	0	0	0	0	115.2	L67 F92 Q93	L67-G71 VanDerWaalsContact O-CA 3.25Å; L67-G71 WeakPolarHBondContact O-CA 3.4Å; L67-G71 PolarHBondContact O-N 2.87Å; G71-F92 PolarHBondContact O-N 3.1Å; G71-Q93 VanDerWaalsContact O-CB 3.32Å; G71-Q93 WeakPolarHBondContact O-CB 3.32Å; G71-Q93 PolarHBondContact O-N 2.94Å
72	S	95.3	Very high	94.4	Very high	109 Å²	109	49.8 Å²	49.8	76%	0.762	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-8	-179.6	63.1	0	0	0	0	114.3	Y70	Y70-S72 VanDerWaalsContact C-N 3.29Å; Y70-S72 PolarHBondContact O-N 2.77Å; Y70-S72 VanDerWaalsContact O-N 3.16Å
73	L	95.5	Very high	93.8	Very high	42 Å²	42	53.9 Å²	53.9	22%	0.22	27%	0.272	C	S	.	.	S	Bend	trans	-75.4	149.3	179.6	-60.5	-167.6	0	0	0	110.7	Y70 A91 F92 E123	Y70-L73 HydrophobicContact CD1-CD1 3.67Å; Y70-L73 WeakPolarHBondContact O-CB 3.36Å; Y70-L73 PolarHBondContact O-N 3.37Å; L73-A91 CarbonylContact O-C 3.48Å; L73-F92 PolarHBondContact O-N 2.98Å; L73-E123 HydrophobicContact CD1-CB 3.97Å; L73-E123 HydrophobicContact CD1-CG 4.43Å
74	T	95.8	Very high	93.2	Very high	82 Å²	82	47.9 Å²	47.9	50%	0.503	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.2	171.2	-59.4	0	0	0	0	109.5	D89 V90	T74-D89 HydrophobicContact CG2-CB 3.75Å; T74-V90 CarbonylContact C-O 3.57Å; T74-V90 WeakPolarHBondContact CA-O 3.42Å
75	V	95.9	Very high	92.4	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.7	170.9	-66.2	0	0	0	0	110.4	L77 D89 V90 F92 F115 W124	V75-L77 HydrophobicContact CG2-CD2 4.15Å; V75-D89 WeakPolarHBondContact O-CA 3.39Å; V75-V90 HydrophobicContact CG2-CG2 3.94Å; V75-V90 PolarHBondContact N-O 2.84Å; V75-V90 PolarHBondContact O-N 2.82Å; V75-F92 HydrophobicContact CG1-CB 3.98Å; V75-F92 HydrophobicContact CG1-CD2 3.91Å; V75-F92 HydrophobicContact CG1-CG 4.31Å; V75-F92 HydrophobicContact CG2-CB 4.34Å; V75-F92 HydrophobicContact CG2-CD2 4.24Å; V75-F115 HydrophobicContact CB-CD2 3.94Å; V75-F115 HydrophobicContact CB-CE2 3.79Å; V75-F115 HydrophobicContact CB-CG 4.42Å; V75-F115 HydrophobicContact CB-CZ 4.13Å; V75-F115 HydrophobicContact CG1-CD2 4.39Å; V75-F115 HydrophobicContact CG1-CE1 4.06Å; V75-F115 HydrophobicContact CG1-CE2 3.91Å; V75-F115 HydrophobicContact CG1-CZ 3.72Å; V75-W124 HydrophobicContact CG1-CZ2 3.61Å
76	R	95.8	Very high	92	Very high	107 Å²	107	56.8 Å²	56.8	40%	0.404	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	113.8	174.5	-177.1	159.6	-68.8	153.3	5.1	110.2	K87 D89 D118	R76-K87 HydrophobicContact CG-CB 3.98Å; R76-K87 HydrophobicContact CG-CD 4.34Å; R76-K87 HydrophobicContact CG-CG 4.49Å; R76-D89 WeakPolarHBondContact CA-OD1 3.43Å; R76-D89 VanDerWaalsContact CB-OD1 3.29Å; R76-D89 WeakPolarHBondContact CB-OD1 3.37Å; R76-D89 WeakPolarHBondContact CG-OD1 3.41Å; R76-D89 IonicContact CZ-OD1 3.74Å; R76-D89 IonicContact CZ-OD2 2.73Å; R76-D89 IonicContact NE-OD1 3.85Å; R76-D89 PolarHBondContact NE-OD1 2.91Å; R76-D89 IonicContact NE-OD2 3.62Å; R76-D89 IonicContact NH2-OD1 3.38Å; R76-D89 PolarHBondContact NH2-OD1 2.97Å; R76-D89 IonicContact NH2-OD2 2.55Å; R76-D89 PolarHBondContact NH2-OD2 3.2Å; R76-D118 HydrophobicContact CB-CB 4Å; R76-D118 HydrophobicContact CG-CB 3.96Å
77	L	94.8	Very high	91.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	147.9	172.6	-51.3	-177.3	0	0	0	110.2	V75 K87 V88 V90 Y95 L99 L113 Y114 F115	V75-L77 HydrophobicContact CG2-CD2 4.15Å; L77-K87 CarbonylContact O-C 3.55Å; L77-K87 VanDerWaalsContact O-CA 3.24Å; L77-K87 WeakPolarHBondContact O-CA 3.4Å; L77-V88 WeakPolarHBondContact CB-O 3.25Å; L77-V88 PolarHBondContact N-O 2.91Å; L77-V88 PolarHBondContact O-N 3.41Å; L77-V90 HydrophobicContact CD1-CG1 4.32Å; L77-V90 HydrophobicContact CD1-CG2 3.71Å; L77-V90 HydrophobicContact CD2-CG2 4.32Å; L77-V90 HydrophobicContact CG-CG2 3.87Å; L77-Y95 HydrophobicContact CD1-CD2 3.58Å; L77-Y95 HydrophobicContact CD1-CE2 4.14Å; L77-Y95 HydrophobicContact CD1-CG 4.37Å; L77-Y95 HydrophobicContact CD2-CD1 4.28Å; L77-Y95 HydrophobicContact CD2-CD2 3.5Å; L77-Y95 HydrophobicContact CD2-CE2 3.82Å; L77-Y95 HydrophobicContact CD2-CG 3.78Å; L77-Y95 HydrophobicContact CG-CD2 4.2Å; L77-L99 HydrophobicContact CD1-CD1 3.64Å; L77-L113 HydrophobicContact CB-CB 4.19Å; L77-L113 HydrophobicContact CB-CD2 4.26Å; L77-L113 HydrophobicContact CD1-CB 4.16Å; L77-Y114 WeakPolarHBondContact CA-O 3.39Å; L77-F115 HydrophobicContact CD2-CB 3.74Å
78	S	93.5	Very high	91.6	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.014	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	148.4	178.4	-67	0	0	0	0	110.7	K87 L113 Y114 F116	S78-K87 WeakPolarHBondContact OG-CD 3.38Å; S78-K87 PolarHBondContact OG-NZ 3.38Å; S78-L113 WeakPolarHBondContact O-CA 3.37Å; S78-Y114 PolarHBondContact N-O 3.26Å; S78-Y114 PolarHBondContact O-N 2.97Å; S78-Y114 VanDerWaalsContact O-N 3.09Å; S78-F116 PolarHBondContact OG-O 3.35Å
79	T	90.6	Very high	91.6	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	144.6	168.9	50.8	0	0	0	0	112.1	N81 S84 Y85 R86 S110 T112 L113	T79-N81 PolarHBondContact O-N 3.22Å; T79-N81 VanDerWaalsContact O-N 3.16Å; T79-N81 PolarHBondContact OG1-OD1 3.01Å; T79-S84 WeakPolarHBondContact O-CA 3.37Å; T79-S84 WeakPolarHBondContact O-CB 3.4Å; T79-S84 PolarHBondContact O-OG 3.07Å; T79-Y85 PolarHBondContact OG1-N 2.85Å; T79-R86 HydrophobicContact CG2-CB 3.7Å; T79-R86 HydrophobicContact CG2-CG 4.42Å; T79-R86 PolarHBondContact N-O 2.83Å; T79-R86 VanDerWaalsContact N-O 3.08Å; T79-R86 PolarHBondContact OG1-N 2.92Å; T79-S110 WeakPolarHBondContact CG2-O 3.1Å; T79-T112 CarbonylContact C-O 3.57Å; T79-T112 VanDerWaalsContact CA-O 3.26Å; T79-T112 WeakPolarHBondContact CA-O 3.45Å; T79-L113 HydrophobicContact CG2-CD2 3.8Å
80	A	86.8	Confident	91.6	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-82.5	27.1	-178.1	0	0	0	0	0	114.2	G109 T112 Y114 G155 P157	A80-G109 CarbonylContact C-O 3.56Å; A80-G109 WeakPolarHBondContact CA-O 3.45Å; A80-G109 PolarHBondContact N-O 2.87Å; A80-T112 HydrophobicContact CB-CG2 3.83Å; A80-T112 PolarHBondContact N-O 3.23Å; A80-Y114 HydrophobicContact CB-CD1 3.92Å; A80-Y114 HydrophobicContact CB-CE1 3.53Å; A80-G155 WeakPolarHBondContact CB-O 3.31Å; A80-P157 WeakPolarHBondContact O-CD 3.36Å
81	N	86.9	Confident	91.6	Very high	1 Å²	1	51 Å²	51	1%	0.005	26%	0.257	C	S	.	.	S	Bend	trans	-97.6	164.9	171.5	59.9	-8.8	0	0	0	110.7	T79 H83 S84 Y85 G109 P188 N189	T79-N81 PolarHBondContact O-N 3.22Å; T79-N81 VanDerWaalsContact O-N 3.16Å; T79-N81 PolarHBondContact OG1-OD1 3.01Å; N81-H83 PolarHBondContact O-N 3.36Å; N81-S84 PolarHBondContact O-N 3.27Å; N81-S84 WeakPolarHBondContact OD1-CA 3.39Å; N81-S84 PolarHBondContact OD1-N 3.26Å; N81-S84 VanDerWaalsContact OD1-N 3.11Å; N81-Y85 WeakPolarHBondContact ND2-CD2 3.39Å; N81-Y85 WeakPolarHBondContact ND2-CE2 3.3Å; N81-Y85 PolarHBondContact OD1-N 3Å; N81-G109 PolarHBondContact N-O 2.76Å; N81-P188 WeakPolarHBondContact CB-O 3.23Å; N81-N189 PolarHBondContact ND2-OD1 3.17Å
82	T	85.3	Confident	91.7	Very high	18 Å²	18	50.8 Å²	50.8	11%	0.11	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-33.5	-173.2	-68.6	0	0	0	0	114.9	F158 H159 F186 P188	T82-F158 WeakPolarHBondContact CG2-O 3.4Å; T82-F158 PolarHBondContact OG1-O 2.85Å; T82-H159 HydrophobicContact CG2-CB 4Å; T82-F186 WeakPolarHBondContact OG1-CE2 3.39Å; T82-P188 HydrophobicContact CG2-CB 4.37Å; T82-P188 PolarHBondContact N-O 3.04Å; T82-P188 WeakPolarHBondContact OG1-CA 3.18Å; T82-P188 PolarHBondContact OG1-O 2.81Å
83	H	84	Confident	91.8	Very high	116 Å²	116	50.4 Å²	50.4	54%	0.537	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113	2.8	-176.1	-62.9	-69.6	0	0	0	114.2	N81 Y85	N81-H83 PolarHBondContact O-N 3.36Å; H83-Y85 VanDerWaalsContact C-N 3.26Å; H83-Y85 HydrophobicContact CB-CD1 3.61Å; H83-Y85 HydrophobicContact CB-CE1 3.18Å; H83-Y85 HydrophobicContact CB-CE2 4.38Å; H83-Y85 HydrophobicContact CB-CG 4.37Å; H83-Y85 AromaticContact CD2-CE1 3.92Å; H83-Y85 AromaticContact CD2-CZ 3.63Å; H83-Y85 PolarHBondContact CD2-OH 2.81Å; H83-Y85 AromaticContact CG-CE1 3.74Å; H83-Y85 AromaticContact CG-CZ 3.92Å; H83-Y85 PolarHBondContact O-N 3.5Å; H83-Y85 VanDerWaalsContact O-N 3.13Å
84	S	83.6	Confident	91.9	Very high	21 Å²	21	52.2 Å²	52.2	15%	0.147	25%	0.251	C	S	.	.			trans	47	44.7	178.8	-60.7	0	0	0	0	114.4	T79 N81 R86 K87	T79-S84 WeakPolarHBondContact O-CA 3.37Å; T79-S84 WeakPolarHBondContact O-CB 3.4Å; T79-S84 PolarHBondContact O-OG 3.07Å; N81-S84 PolarHBondContact O-N 3.27Å; N81-S84 WeakPolarHBondContact OD1-CA 3.39Å; N81-S84 PolarHBondContact OD1-N 3.26Å; N81-S84 VanDerWaalsContact OD1-N 3.11Å; S84-R86 VanDerWaalsContact C-N 3.32Å; S84-R86 PolarHBondContact O-N 2.92Å; S84-K87 WeakPolarHBondContact O-CE 3.5Å
85	Y	80	Confident	91.9	Very high	146 Å²	146	48.3 Å²	48.3	57%	0.573	23%	0.227	S	C	*	.			trans	-54.5	-41.9	-167	-61.2	-51.9	0	0	0	114.6	T79 N81 H83	T79-Y85 PolarHBondContact OG1-N 2.85Å; N81-Y85 WeakPolarHBondContact ND2-CD2 3.39Å; N81-Y85 WeakPolarHBondContact ND2-CE2 3.3Å; N81-Y85 PolarHBondContact OD1-N 3Å; H83-Y85 VanDerWaalsContact C-N 3.26Å; H83-Y85 HydrophobicContact CB-CD1 3.61Å; H83-Y85 HydrophobicContact CB-CE1 3.18Å; H83-Y85 HydrophobicContact CB-CE2 4.38Å; H83-Y85 HydrophobicContact CB-CG 4.37Å; H83-Y85 AromaticContact CD2-CE1 3.92Å; H83-Y85 AromaticContact CD2-CZ 3.63Å; H83-Y85 PolarHBondContact CD2-OH 2.81Å; H83-Y85 AromaticContact CG-CE1 3.74Å; H83-Y85 AromaticContact CG-CZ 3.92Å; H83-Y85 PolarHBondContact O-N 3.5Å; H83-Y85 VanDerWaalsContact O-N 3.13Å
86	R	89	Confident	92	Very high	149 Å²	149	48.8 Å²	48.8	56%	0.562	23%	0.23	S	C	*	.			trans	-100	132.2	-174.9	178	-175	179.8	-159.8	0.6	109.4	T79 S84 V88	T79-R86 HydrophobicContact CG2-CB 3.7Å; T79-R86 HydrophobicContact CG2-CG 4.42Å; T79-R86 PolarHBondContact N-O 2.83Å; T79-R86 VanDerWaalsContact N-O 3.08Å; T79-R86 PolarHBondContact OG1-N 2.92Å; S84-R86 VanDerWaalsContact C-N 3.32Å; S84-R86 PolarHBondContact O-N 2.92Å; R86-V88 HydrophobicContact CG-CG2 4.14Å
87	K	92.5	Very high	92	Very high	88 Å²	88	47.6 Å²	47.6	38%	0.383	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.9	173.7	-53.5	-63.6	179	164.2	0	109.4	R76 L77 S78 S84 D118	R76-K87 HydrophobicContact CG-CB 3.98Å; R76-K87 HydrophobicContact CG-CD 4.34Å; R76-K87 HydrophobicContact CG-CG 4.49Å; L77-K87 CarbonylContact O-C 3.55Å; L77-K87 VanDerWaalsContact O-CA 3.24Å; L77-K87 WeakPolarHBondContact O-CA 3.4Å; S78-K87 WeakPolarHBondContact OG-CD 3.38Å; S78-K87 PolarHBondContact OG-NZ 3.38Å; S84-K87 WeakPolarHBondContact O-CE 3.5Å; K87-D118 WeakPolarHBondContact CD-OD2 3.33Å; K87-D118 WeakPolarHBondContact CE-OD2 3.49Å; K87-D118 IonicContact NZ-OD2 2.65Å; K87-D118 PolarHBondContact NZ-OD2 3Å
88	V	94	Very high	92	Very high	35 Å²	35	55.9 Å²	55.9	21%	0.212	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	122.8	178.8	-175.1	0	0	0	0	108.8	L77 R86 V90 L113	L77-V88 WeakPolarHBondContact CB-O 3.25Å; L77-V88 PolarHBondContact N-O 2.91Å; L77-V88 PolarHBondContact O-N 3.41Å; R86-V88 HydrophobicContact CG-CG2 4.14Å; V88-V90 HydrophobicContact CG1-CG1 4.04Å; V88-L113 HydrophobicContact CB-CD1 4.25Å; V88-L113 HydrophobicContact CG2-CD1 3.97Å; V88-L113 HydrophobicContact CG2-CD2 4.07Å
89	D	96	Very high	92	Very high	82 Å²	82	58.8 Å²	58.8	44%	0.439	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	129.2	177	-68.3	-10.4	0	0	0	109.5	T74 V75 R76	T74-D89 HydrophobicContact CG2-CB 3.75Å; V75-D89 WeakPolarHBondContact O-CA 3.39Å; R76-D89 WeakPolarHBondContact CA-OD1 3.43Å; R76-D89 VanDerWaalsContact CB-OD1 3.29Å; R76-D89 WeakPolarHBondContact CB-OD1 3.37Å; R76-D89 WeakPolarHBondContact CG-OD1 3.41Å; R76-D89 IonicContact CZ-OD1 3.74Å; R76-D89 IonicContact CZ-OD2 2.73Å; R76-D89 IonicContact NE-OD1 3.85Å; R76-D89 PolarHBondContact NE-OD1 2.91Å; R76-D89 IonicContact NE-OD2 3.62Å; R76-D89 IonicContact NH2-OD1 3.38Å; R76-D89 PolarHBondContact NH2-OD1 2.97Å; R76-D89 IonicContact NH2-OD2 2.55Å; R76-D89 PolarHBondContact NH2-OD2 3.2Å
90	V	96.1	Very high	92.3	Very high	30 Å²	30	60.2 Å²	60.2	18%	0.182	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	161	179	-58.7	0	0	0	0	110.1	T74 V75 L77 V88	T74-V90 CarbonylContact C-O 3.57Å; T74-V90 WeakPolarHBondContact CA-O 3.42Å; V75-V90 HydrophobicContact CG2-CG2 3.94Å; V75-V90 PolarHBondContact N-O 2.84Å; V75-V90 PolarHBondContact O-N 2.82Å; L77-V90 HydrophobicContact CD1-CG1 4.32Å; L77-V90 HydrophobicContact CD1-CG2 3.71Å; L77-V90 HydrophobicContact CD2-CG2 4.32Å; L77-V90 HydrophobicContact CG-CG2 3.87Å; V88-V90 HydrophobicContact CG1-CG1 4.04Å
91	A	96.6	Very high	92.6	Very high	32 Å²	32	68 Å²	68	26%	0.264	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	140.1	166	0	0	0	0	0	109.9	L73 Q93 D94 Y95	L73-A91 CarbonylContact O-C 3.48Å; A91-Q93 PolarHBondContact O-N 2.82Å; A91-D94 HydrophobicContact CB-CB 4.29Å; A91-D94 WeakPolarHBondContact O-CB 3.47Å; A91-D94 PolarHBondContact O-N 2.9Å; A91-Y95 PolarHBondContact O-N 3.13Å
92	F	97.2	Very high	93	Very high	1 Å²	1	71 Å²	71	0%	0.004	33%	0.334	C	S	.	.	H	α-helix	trans	-57.9	-39.2	179.7	-179.7	-117.3	0	0	0	111.9	L66 L67 Y70 G71 L73 V75 Y95 V96 F115 W124 I149	L66-F92 HydrophobicContact CB-CE1 3.74Å; L66-F92 HydrophobicContact CB-CZ 4Å; L66-F92 HydrophobicContact CD1-CZ 4.42Å; L67-F92 HydrophobicContact CD2-CD1 4.35Å; L67-F92 HydrophobicContact CD2-CE1 4.27Å; Y70-F92 VanDerWaalsContact O-CB 3.28Å; Y70-F92 WeakPolarHBondContact O-CB 3.42Å; G71-F92 PolarHBondContact O-N 3.1Å; L73-F92 PolarHBondContact O-N 2.98Å; V75-F92 HydrophobicContact CG1-CB 3.98Å; V75-F92 HydrophobicContact CG1-CD2 3.91Å; V75-F92 HydrophobicContact CG1-CG 4.31Å; V75-F92 HydrophobicContact CG2-CB 4.34Å; V75-F92 HydrophobicContact CG2-CD2 4.24Å; F92-Y95 HydrophobicContact CD2-CD1 4.47Å; F92-Y95 HydrophobicContact CE2-CD1 4.35Å; F92-Y95 WeakPolarHBondContact O-CB 3.03Å; F92-Y95 PolarHBondContact O-N 2.74Å; F92-V96 HydrophobicContact CD1-CG2 4.38Å; F92-V96 HydrophobicContact CD2-CG2 4.25Å; F92-V96 HydrophobicContact CE1-CG2 3.86Å; F92-V96 HydrophobicContact CE2-CG2 3.74Å; F92-V96 HydrophobicContact CZ-CG2 3.52Å; F92-V96 WeakPolarHBondContact O-CG2 3.23Å; F92-V96 PolarHBondContact O-N 2.88Å; F92-F115 HydrophobicContact CE2-CD1 4.39Å; F92-W124 HydrophobicContact CD2-CH2 4.31Å; F92-W124 HydrophobicContact CD2-CZ2 4.5Å; F92-W124 HydrophobicContact CE2-CH2 4.23Å; F92-W124 HydrophobicContact CZ-CH2 4.43Å; F92-I149 HydrophobicContact CE2-CD1 3.65Å; F92-I149 HydrophobicContact CZ-CD1 3.55Å
93	Q	97.8	Very high	93.3	Very high	102 Å²	102	71.1 Å²	71.1	48%	0.477	33%	0.333	S	S	.	.	H	α-helix	trans	-60.3	-45.7	174.8	-177.9	169.9	6.3	0	0	112.2	L67 G71 A91 Y95 V96 D97	L67-Q93 HydrophobicContact CD2-CB 4.21Å; L67-Q93 HydrophobicContact CD2-CG 4.24Å; G71-Q93 VanDerWaalsContact O-CB 3.32Å; G71-Q93 WeakPolarHBondContact O-CB 3.32Å; G71-Q93 PolarHBondContact O-N 2.94Å; A91-Q93 PolarHBondContact O-N 2.82Å; Q93-Y95 VanDerWaalsContact C-N 3.28Å; Q93-Y95 PolarHBondContact O-N 2.88Å; Q93-V96 PolarHBondContact O-N 3.33Å; Q93-D97 VanDerWaalsContact CG-OD2 3.3Å; Q93-D97 WeakPolarHBondContact CG-OD2 3.19Å; Q93-D97 PolarHBondContact NE2-OD2 2.94Å; Q93-D97 WeakPolarHBondContact O-CB 3.4Å; Q93-D97 PolarHBondContact O-N 2.84Å
94	D	97.4	Very high	93.6	Very high	79 Å²	79	70.9 Å²	70.9	42%	0.422	34%	0.336	S	S	.	.	H	α-helix	trans	-61.4	-38.3	177.2	-76.7	-35.6	0	0	0	111.8	A91 R98	A91-D94 HydrophobicContact CB-CB 4.29Å; A91-D94 WeakPolarHBondContact O-CB 3.47Å; A91-D94 PolarHBondContact O-N 2.9Å; D94-R98 VanDerWaalsContact O-CB 3.28Å; D94-R98 WeakPolarHBondContact O-CB 3.38Å; D94-R98 PolarHBondContact O-N 2.96Å
95	Y	97.1	Very high	93.8	Very high	1 Å²	1	73.3 Å²	73.3	0%	0.004	36%	0.357	C	S	.	.	I	π-helix	trans	-59.6	-53.7	173.8	174.3	-116.7	0	0	0	111.3	L77 A91 F92 Q93 D97 L99 L100 Y114 F115 I149	L77-Y95 HydrophobicContact CD1-CD2 3.58Å; L77-Y95 HydrophobicContact CD1-CE2 4.14Å; L77-Y95 HydrophobicContact CD1-CG 4.37Å; L77-Y95 HydrophobicContact CD2-CD1 4.28Å; L77-Y95 HydrophobicContact CD2-CD2 3.5Å; L77-Y95 HydrophobicContact CD2-CE2 3.82Å; L77-Y95 HydrophobicContact CD2-CG 3.78Å; L77-Y95 HydrophobicContact CG-CD2 4.2Å; A91-Y95 PolarHBondContact O-N 3.13Å; F92-Y95 HydrophobicContact CD2-CD1 4.47Å; F92-Y95 HydrophobicContact CE2-CD1 4.35Å; F92-Y95 WeakPolarHBondContact O-CB 3.03Å; F92-Y95 PolarHBondContact O-N 2.74Å; Q93-Y95 VanDerWaalsContact C-N 3.28Å; Q93-Y95 PolarHBondContact O-N 2.88Å; Y95-D97 PolarHBondContact O-N 2.8Å; Y95-L99 HydrophobicContact CD2-CB 3.67Å; Y95-L99 HydrophobicContact CD2-CD1 4.25Å; Y95-L99 HydrophobicContact CE2-CB 4.05Å; Y95-L99 CarbonylContact O-C 3.48Å; Y95-L99 WeakPolarHBondContact O-CA 3.35Å; Y95-L99 PolarHBondContact O-N 3.07Å; Y95-L100 HydrophobicContact CE1-CB 4.41Å; Y95-L100 HydrophobicContact CE1-CD1 4.07Å; Y95-L100 PolarHBondContact O-N 2.92Å; Y95-L100 WeakPolarHBondContact OH-CD1 3.36Å; Y95-Y114 WeakPolarHBondContact OH-CB 3.18Å; Y95-F115 HydrophobicContact CD1-CB 4.21Å; Y95-F115 HydrophobicContact CE1-CB 3.75Å; Y95-I149 HydrophobicContact CE1-CB 4.17Å; Y95-I149 HydrophobicContact CE1-CG2 4.33Å; Y95-I149 PolarHBondContact OH-O 2.96Å
96	V	96.9	Very high	94.2	Very high	13 Å²	13	70.5 Å²	70.5	8%	0.079	36%	0.364	C	S	.	.	I	π-helix	trans	-64.3	-39	-176.9	173.1	0	0	0	0	112.4	R63 L67 F92 Q93 L100	R63-V96 HydrophobicContact CG-CG1 4.25Å; L67-V96 HydrophobicContact CD1-CG1 4.06Å; L67-V96 HydrophobicContact CD2-CB 3.92Å; L67-V96 HydrophobicContact CD2-CG1 4.01Å; L67-V96 HydrophobicContact CD2-CG2 4.09Å; L67-V96 HydrophobicContact CG-CG1 4.24Å; F92-V96 HydrophobicContact CD1-CG2 4.38Å; F92-V96 HydrophobicContact CD2-CG2 4.25Å; F92-V96 HydrophobicContact CE1-CG2 3.86Å; F92-V96 HydrophobicContact CE2-CG2 3.74Å; F92-V96 HydrophobicContact CZ-CG2 3.52Å; F92-V96 WeakPolarHBondContact O-CG2 3.23Å; F92-V96 PolarHBondContact O-N 2.88Å; Q93-V96 PolarHBondContact O-N 3.33Å; V96-L100 HydrophobicContact CG1-CD2 4.42Å; V96-L100 HydrophobicContact CG2-CD2 4.5Å
97	D	95.8	Very high	94.3	Very high	81 Å²	81	64.4 Å²	64.4	43%	0.433	35%	0.346	S	S	.	.	I	π-helix	trans	-83.8	-26.4	-174.4	-71.2	-22.7	0	0	0	112.9	R63 Q93 Y95	R63-D97 IonicContact CZ-OD1 3.91Å; R63-D97 IonicContact NH2-OD1 2.74Å; R63-D97 PolarHBondContact NH2-OD1 3.03Å; Q93-D97 VanDerWaalsContact CG-OD2 3.3Å; Q93-D97 WeakPolarHBondContact CG-OD2 3.19Å; Q93-D97 PolarHBondContact NE2-OD2 2.94Å; Q93-D97 WeakPolarHBondContact O-CB 3.4Å; Q93-D97 PolarHBondContact O-N 2.84Å; Y95-D97 PolarHBondContact O-N 2.8Å
98	R	94.4	Very high	94.1	Very high	174 Å²	174	63.7 Å²	63.7	66%	0.657	35%	0.346	S	S	*	.	I	π-helix	trans	-123.8	-28.5	-168.4	-53	179.1	65.4	179	-0	115.1	D94	D94-R98 VanDerWaalsContact O-CB 3.28Å; D94-R98 WeakPolarHBondContact O-CB 3.38Å; D94-R98 PolarHBondContact O-N 2.96Å
99	L	94.5	Very high	93.7	Very high	63 Å²	63	62 Å²	62	33%	0.33	34%	0.335	S	S	.	.	I	π-helix	trans	-114.3	-24.5	-171	-60.4	179.1	0	0	0	113	L77 Y95 R101	L77-L99 HydrophobicContact CD1-CD1 3.64Å; Y95-L99 HydrophobicContact CD2-CB 3.67Å; Y95-L99 HydrophobicContact CD2-CD1 4.25Å; Y95-L99 HydrophobicContact CE2-CB 4.05Å; Y95-L99 CarbonylContact O-C 3.48Å; Y95-L99 WeakPolarHBondContact O-CA 3.35Å; Y95-L99 PolarHBondContact O-N 3.07Å; L99-R101 PolarHBondContact O-N 3.03Å
100	L	95.6	Very high	93.1	Very high	32 Å²	32	60 Å²	60	17%	0.168	33%	0.328	C	S	.	.			trans	-76.1	74.9	176.7	-173	65.9	0	0	0	111	Y95 V96 I149 T235	Y95-L100 HydrophobicContact CE1-CB 4.41Å; Y95-L100 HydrophobicContact CE1-CD1 4.07Å; Y95-L100 PolarHBondContact O-N 2.92Å; Y95-L100 WeakPolarHBondContact OH-CD1 3.36Å; V96-L100 HydrophobicContact CG1-CD2 4.42Å; V96-L100 HydrophobicContact CG2-CD2 4.5Å; L100-I149 HydrophobicContact CD1-CG2 3.83Å; L100-I149 HydrophobicContact CD2-CG2 3.79Å; L100-I149 HydrophobicContact CG-CG2 4.5Å; L100-T235 HydrophobicContact CD1-CG2 4.17Å; L100-T235 HydrophobicContact CD2-CG2 3.84Å; L100-T235 HydrophobicContact CG-CG2 4.02Å
101	R	93.9	Very high	92.6	Very high	165 Å²	165	64.4 Å²	64.4	62%	0.623	35%	0.346	S	S	*	.	S	Bend	trans	-136.6	165.7	-176.8	67.6	-170.8	-179.3	-171.2	2.1	111.1	L99	L99-R101 PolarHBondContact O-N 3.03Å
102	P	94.4	Very high	92.2	Very high	62 Å²	62	63.6 Å²	63.6	40%	0.403	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-54.7	140.1	174.4	-25.3	34.8	0	0	0	112.1	P152	P102-P152 CarbonylContact C-O 3.54Å; P102-P152 WeakPolarHBondContact CA-O 3.18Å; P102-P152 HydrophobicContact CB-CB 4.32Å; P102-P152 HydrophobicContact CG-CB 4.45Å; P102-P152 HydrophobicContact CG-CG 4.15Å
103	Q	91.8	Very high	91.9	Very high	22 Å²	22	65.3 Å²	65.3	10%	0.103	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-67.1	134.4	175.3	-169	-177.6	-98.3	0	0	110.4	A105 T112 P152 G153 T154 T191	Q103-A105 PolarHBondContact O-N 3.44Å; Q103-T112 HydrophobicContact CG-CG2 4.19Å; Q103-T112 PolarHBondContact OE1-OG1 2.97Å; Q103-T112 VanDerWaalsContact OE1-OG1 3.1Å; Q103-P152 PolarHBondContact N-O 2.88Å; Q103-G153 VanDerWaalsContact CD-O 3.31Å; Q103-G153 PolarHBondContact NE2-O 3.02Å; Q103-G153 PolarHBondContact OE1-O 2.76Å; Q103-T154 HydrophobicContact CB-CG2 3.97Å; Q103-T191 PolarHBondContact NE2-OG1 3.03Å
104	D	91.3	Very high	91.6	Very high	110 Å²	110	60.7 Å²	60.7	59%	0.588	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-66.7	127.8	167.5	-173.4	-17.4	0	0	0	109.5	A106 A107	D104-A106 PolarHBondContact O-N 3.45Å; D104-A106 VanDerWaalsContact O-N 3.16Å; D104-A106 PolarHBondContact OD1-N 2.85Å; D104-A107 HydrophobicContact CB-CB 4.07Å; D104-A107 WeakPolarHBondContact O-CB 3.3Å; D104-A107 PolarHBondContact O-N 2.88Å
105	A	88.3	Confident	91.5	Very high	73 Å²	73	57 Å²	57	60%	0.603	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-24	179	0	0	0	0	0	113.2	Q103	Q103-A105 PolarHBondContact O-N 3.44Å
106	A	88.8	Confident	91	Very high	86 Å²	86	58.6 Å²	58.6	71%	0.711	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-13.7	176.7	0	0	0	0	0	113.7	D104	D104-A106 PolarHBondContact O-N 3.45Å; D104-A106 VanDerWaalsContact O-N 3.16Å; D104-A106 PolarHBondContact OD1-N 2.85Å
107	A	89.9	Confident	90.1	Very high	21 Å²	21	59.9 Å²	59.9	17%	0.174	33%	0.328	C	S	.	.			trans	-72.3	146.2	-176.4	0	0	0	0	0	112.4	D104 T191	D104-A107 HydrophobicContact CB-CB 4.07Å; D104-A107 WeakPolarHBondContact O-CB 3.3Å; D104-A107 PolarHBondContact O-N 2.88Å; A107-T191 WeakPolarHBondContact O-CG2 3.21Å
108	L	89.3	Confident	89.5	Confident	73 Å²	73	59 Å²	59	38%	0.382	32%	0.324	S	S	.	.			trans	-80.4	155.4	171.1	-64.4	177.4	0	0	0	111.3	S110 E111 T112	L108-S110 PolarHBondContact O-N 2.85Å; L108-E111 HydrophobicContact CB-CG 4.23Å; L108-E111 PolarHBondContact N-OE2 2.94Å; L108-E111 PolarHBondContact O-N 2.91Å; L108-T112 PolarHBondContact O-N 2.87Å; L108-T112 VanDerWaalsContact O-N 3.14Å; L108-T112 PolarHBondContact O-OG1 2.81Å
109	G	83.8	Confident	89	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.5	175.1	0	0	0	0	0	112.2	A80 N81 E111 N189 T191	A80-G109 CarbonylContact C-O 3.56Å; A80-G109 WeakPolarHBondContact CA-O 3.45Å; A80-G109 PolarHBondContact N-O 2.87Å; N81-G109 PolarHBondContact N-O 2.76Å; G109-E111 PolarHBondContact O-N 2.83Å; G109-N189 PolarHBondContact N-O 2.83Å; G109-T191 VanDerWaalsContact N-CG2 3.34Å
110	S	84.1	Confident	88.7	Confident	39 Å²	39	51.9 Å²	51.9	27%	0.273	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-10.8	173.5	51.8	0	0	0	0	114.6	T79 L108	T79-S110 WeakPolarHBondContact CG2-O 3.1Å; L108-S110 PolarHBondContact O-N 2.85Å
111	E	85.5	Confident	88.1	Confident	124 Å²	124	55 Å²	55	58%	0.579	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-20.5	-179.1	-63.7	171.1	171.9	0	0	112	L108 G109	L108-E111 HydrophobicContact CB-CG 4.23Å; L108-E111 PolarHBondContact N-OE2 2.94Å; L108-E111 PolarHBondContact O-N 2.91Å; G109-E111 PolarHBondContact O-N 2.83Å
112	T	88.9	Confident	87.8	Confident	15 Å²	15	52.3 Å²	52.3	9%	0.092	32%	0.317	C	S	.	.			trans	-80.2	122.2	173.6	-58.6	0	0	0	0	110.9	T79 A80 Q103 L108 T154	T79-T112 CarbonylContact C-O 3.57Å; T79-T112 VanDerWaalsContact CA-O 3.26Å; T79-T112 WeakPolarHBondContact CA-O 3.45Å; A80-T112 HydrophobicContact CB-CG2 3.83Å; A80-T112 PolarHBondContact N-O 3.23Å; Q103-T112 HydrophobicContact CG-CG2 4.19Å; Q103-T112 PolarHBondContact OE1-OG1 2.97Å; Q103-T112 VanDerWaalsContact OE1-OG1 3.1Å; L108-T112 PolarHBondContact O-N 2.87Å; L108-T112 VanDerWaalsContact O-N 3.14Å; L108-T112 PolarHBondContact O-OG1 2.81Å; T112-T154 HydrophobicContact CG2-CG2 3.64Å
113	L	90.8	Very high	87.6	Confident	37 Å²	37	53.1 Å²	53.1	19%	0.194	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.8	175.4	-69.2	169.6	0	0	0	111.4	L77 S78 T79 V88	L77-L113 HydrophobicContact CB-CB 4.19Å; L77-L113 HydrophobicContact CB-CD2 4.26Å; L77-L113 HydrophobicContact CD1-CB 4.16Å; S78-L113 WeakPolarHBondContact O-CA 3.37Å; T79-L113 HydrophobicContact CG2-CD2 3.8Å; V88-L113 HydrophobicContact CB-CD1 4.25Å; V88-L113 HydrophobicContact CG2-CD1 3.97Å; V88-L113 HydrophobicContact CG2-CD2 4.07Å
114	Y	91.8	Very high	87.6	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.016	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	165.2	166.3	68.4	-81.6	0	0	0	111.9	L77 S78 A80 Y95 F116 A150 V156 F238	L77-Y114 WeakPolarHBondContact CA-O 3.39Å; S78-Y114 PolarHBondContact N-O 3.26Å; S78-Y114 PolarHBondContact O-N 2.97Å; S78-Y114 VanDerWaalsContact O-N 3.09Å; A80-Y114 HydrophobicContact CB-CD1 3.92Å; A80-Y114 HydrophobicContact CB-CE1 3.53Å; Y95-Y114 WeakPolarHBondContact OH-CB 3.18Å; Y114-F116 HydrophobicContact CD2-CB 3.88Å; Y114-F116 HydrophobicContact CE2-CB 3.41Å; Y114-F116 VanDerWaalsContact CE2-CB 3.41Å; Y114-F116 HydrophobicContact CE2-CD1 4.4Å; Y114-F116 HydrophobicContact CE2-CG 4.06Å; Y114-A150 HydrophobicContact CD2-CB 3.76Å; Y114-A150 HydrophobicContact CG-CB 4.06Å; Y114-V156 WeakPolarHBondContact OH-CG2 3.36Å; Y114-F238 HydrophobicContact CE2-CZ 4.24Å
115	F	93.9	Very high	87.6	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	111.4	-174.8	178.7	-141.5	0	0	0	110.6	V75 L77 F92 Y95 N119 W124 F147 G148 I149	V75-F115 HydrophobicContact CB-CD2 3.94Å; V75-F115 HydrophobicContact CB-CE2 3.79Å; V75-F115 HydrophobicContact CB-CG 4.42Å; V75-F115 HydrophobicContact CB-CZ 4.13Å; V75-F115 HydrophobicContact CG1-CD2 4.39Å; V75-F115 HydrophobicContact CG1-CE1 4.06Å; V75-F115 HydrophobicContact CG1-CE2 3.91Å; V75-F115 HydrophobicContact CG1-CZ 3.72Å; L77-F115 HydrophobicContact CD2-CB 3.74Å; F92-F115 HydrophobicContact CE2-CD1 4.39Å; Y95-F115 HydrophobicContact CD1-CB 4.21Å; Y95-F115 HydrophobicContact CE1-CB 3.75Å; F115-N119 VanDerWaalsContact CE2-ND2 3.3Å; F115-N119 WeakPolarHBondContact CE2-ND2 3.36Å; F115-N119 WeakPolarHBondContact CZ-ND2 3.34Å; F115-W124 AromaticContact CE1-CH2 3.72Å; F115-W124 HydrophobicContact CE1-CH2 3.72Å; F115-W124 AromaticContact CE1-CZ2 3.73Å; F115-W124 HydrophobicContact CE1-CZ2 3.73Å; F115-W124 HydrophobicContact CE1-CZ3 4.25Å; F115-W124 AromaticContact CZ-CE2 3.91Å; F115-W124 HydrophobicContact CZ-CH2 4.21Å; F115-W124 AromaticContact CZ-CZ2 3.77Å; F115-W124 HydrophobicContact CZ-CZ2 3.77Å; F115-F147 AromaticContact CE1-CD1 3.98Å; F115-F147 HydrophobicContact CE1-CD1 3.98Å; F115-F147 HydrophobicContact CE1-CE1 4.17Å; F115-G148 CarbonylContact O-C 3.37Å; F115-G148 WeakPolarHBondContact O-CA 3.49Å; F115-I149 HydrophobicContact CD1-CB 4.5Å; F115-I149 HydrophobicContact CD1-CG1 4.26Å; F115-I149 PolarHBondContact N-O 3.06Å; F115-I149 PolarHBondContact O-N 2.63Å
116	F	88.5	Confident	87.9	Confident	36 Å²	36	53 Å²	53	16%	0.158	30%	0.302	C	S	.	.			trans	-167.5	152.5	178.3	174.5	-107.7	0	0	0	111.8	S78 Y114 D118 S146 F238 F242	S78-F116 PolarHBondContact OG-O 3.35Å; Y114-F116 HydrophobicContact CD2-CB 3.88Å; Y114-F116 HydrophobicContact CE2-CB 3.41Å; Y114-F116 VanDerWaalsContact CE2-CB 3.41Å; Y114-F116 HydrophobicContact CE2-CD1 4.4Å; Y114-F116 HydrophobicContact CE2-CG 4.06Å; F116-D118 PolarHBondContact O-N 2.67Å; F116-S146 VanDerWaalsContact CD2-OG 3.27Å; F116-S146 WeakPolarHBondContact CD2-OG 3.37Å; F116-S146 WeakPolarHBondContact CE2-OG 3.22Å; F116-F238 HydrophobicContact CB-CZ 4.35Å; F116-F238 HydrophobicContact CD2-CD2 4.38Å; F116-F238 AromaticContact CD2-CE2 3.34Å; F116-F238 HydrophobicContact CD2-CE2 3.34Å; F116-F238 AromaticContact CD2-CZ 3.89Å; F116-F238 HydrophobicContact CD2-CZ 3.89Å; F116-F238 HydrophobicContact CE2-CD2 4.47Å; F116-F238 AromaticContact CE2-CE2 3.66Å; F116-F238 HydrophobicContact CE2-CE2 3.66Å; F116-F238 HydrophobicContact CG-CE2 4.19Å; F116-F238 HydrophobicContact CG-CZ 4.35Å; F116-F242 HydrophobicContact CZ-CZ 4.15Å
117	G	77.6	Confident	88.2	Confident	39 Å²	39	49.1 Å²	49.1	40%	0.402	27%	0.27	S	S	.	.	S	Bend	trans	83.4	-50	166.8	0	0	0	0	0	114.4	N119 S146	G117-N119 PolarHBondContact O-N 2.8Å; G117-S146 VanDerWaalsContact CA-OG 3.25Å; G117-S146 WeakPolarHBondContact CA-OG 3.24Å; G117-S146 PolarHBondContact N-OG 2.04Å; G117-S146 VanDerWaalsContact N-OG 3.12Å
118	D	82.8	Confident	88.4	Confident	64 Å²	64	48.5 Å²	48.5	34%	0.342	26%	0.263	S	S	.	.			trans	-98.1	51.3	-175	-67.2	-59.5	0	0	0	112.1	R76 K87 F116	R76-D118 HydrophobicContact CB-CB 4Å; R76-D118 HydrophobicContact CG-CB 3.96Å; K87-D118 WeakPolarHBondContact CD-OD2 3.33Å; K87-D118 WeakPolarHBondContact CE-OD2 3.49Å; K87-D118 IonicContact NZ-OD2 2.65Å; K87-D118 PolarHBondContact NZ-OD2 3Å; F116-D118 PolarHBondContact O-N 2.67Å
119	N	84.8	Confident	88.7	Confident	16 Å²	16	50 Å²	50	9%	0.086	27%	0.272	C	S	.	.			trans	-72.1	133.3	176.3	-49.2	123.6	0	0	0	110.3	F115 G117 L121 S146 F147	F115-N119 VanDerWaalsContact CE2-ND2 3.3Å; F115-N119 WeakPolarHBondContact CE2-ND2 3.36Å; F115-N119 WeakPolarHBondContact CZ-ND2 3.34Å; G117-N119 PolarHBondContact O-N 2.8Å; N119-L121 VanDerWaalsContact C-N 3.33Å; N119-L121 HydrophobicContact CB-CD2 4.33Å; N119-L121 PolarHBondContact O-N 2.99Å; N119-S146 WeakPolarHBondContact OD1-CA 3.41Å; N119-F147 PolarHBondContact ND2-O 3.47Å; N119-F147 PolarHBondContact OD1-N 2.96Å; N119-F147 PolarHBondContact OD1-O 2.89Å; N119-F147 VanDerWaalsContact OD1-O 3.13Å
120	N	86.3	Confident	89.3	Confident	70 Å²	70	55.7 Å²	55.7	37%	0.374	29%	0.293	S	S	.	.			trans	-70.6	92.8	165.6	-177.3	-16.6	0	0	0	108.7	T122 E123 W124	N120-T122 PolarHBondContact O-N 2.94Å; N120-T122 PolarHBondContact OD1-N 3.12Å; N120-E123 HydrophobicContact CB-CB 4.16Å; N120-E123 HydrophobicContact CB-CG 4.46Å; N120-E123 WeakPolarHBondContact ND2-CG 3.5Å; N120-E123 PolarHBondContact ND2-OE2 2.95Å; N120-E123 PolarHBondContact O-N 3.07Å; N120-E123 VanDerWaalsContact O-N 3.1Å; N120-E123 PolarHBondContact OD1-N 2.63Å; N120-W124 VanDerWaalsContact O-CD1 3.25Å; N120-W124 PolarHBondContact O-N 3.02Å
121	L	83.6	Confident	90	Very high	97 Å²	97	54.3 Å²	54.3	51%	0.508	28%	0.282	S	S	.	.	H	α-helix	trans	-57.6	-26	-173.8	-61.7	-178.7	0	0	0	113.1	N119 Q125 L128	N119-L121 VanDerWaalsContact C-N 3.33Å; N119-L121 HydrophobicContact CB-CD2 4.33Å; N119-L121 PolarHBondContact O-N 2.99Å; L121-Q125 VanDerWaalsContact O-CA 3.29Å; L121-Q125 WeakPolarHBondContact O-CA 3.11Å; L121-Q125 VanDerWaalsContact O-CB 3.23Å; L121-Q125 WeakPolarHBondContact O-CB 3.3Å; L121-Q125 PolarHBondContact O-N 2.77Å; L121-L128 HydrophobicContact CD2-CD1 3.65Å
122	T	87.7	Confident	90.6	Very high	110 Å²	110	53.7 Å²	53.7	68%	0.675	28%	0.279	S	S	*	.	H	α-helix	trans	-72.8	-48.3	177.3	-56.5	0	0	0	0	111.2	N120 W124 Q125	N120-T122 PolarHBondContact O-N 2.94Å; N120-T122 PolarHBondContact OD1-N 3.12Å; T122-W124 VanDerWaalsContact C-N 3.32Å; T122-W124 PolarHBondContact O-N 3.3Å; T122-Q125 WeakPolarHBondContact O-CB 3.25Å; T122-Q125 PolarHBondContact O-N 2.66Å
123	E	90.1	Very high	90.9	Very high	79 Å²	79	54.6 Å²	54.6	37%	0.369	29%	0.288	S	S	.	.	H	α-helix	trans	-68.1	-34.4	179.6	-76.2	179.7	164.6	0	0	112.4	L73 N120	L73-E123 HydrophobicContact CD1-CB 3.97Å; L73-E123 HydrophobicContact CD1-CG 4.43Å; N120-E123 HydrophobicContact CB-CB 4.16Å; N120-E123 HydrophobicContact CB-CG 4.46Å; N120-E123 WeakPolarHBondContact ND2-CG 3.5Å; N120-E123 PolarHBondContact ND2-OE2 2.95Å; N120-E123 PolarHBondContact O-N 3.07Å; N120-E123 VanDerWaalsContact O-N 3.1Å; N120-E123 PolarHBondContact OD1-N 2.63Å
124	W	92.1	Very high	91.2	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-92.8	-3.7	-177.6	-68.9	77.1	0	0	0	113.4	L66 Y70 V75 F92 F115 N120 T122 N126 L127 L128 F147	L66-W124 HydrophobicContact CD2-CZ3 4.36Å; Y70-W124 HydrophobicContact CD1-CD2 4.44Å; Y70-W124 HydrophobicContact CD1-CE3 4.42Å; Y70-W124 HydrophobicContact CD1-CH2 4.5Å; Y70-W124 HydrophobicContact CD1-CZ3 4.46Å; Y70-W124 HydrophobicContact CD2-CH2 4.39Å; Y70-W124 HydrophobicContact CD2-CZ3 4.14Å; Y70-W124 HydrophobicContact CG-CH2 4.02Å; Y70-W124 HydrophobicContact CG-CZ2 4.36Å; Y70-W124 HydrophobicContact CG-CZ3 4.1Å; V75-W124 HydrophobicContact CG1-CZ2 3.61Å; F92-W124 HydrophobicContact CD2-CH2 4.31Å; F92-W124 HydrophobicContact CD2-CZ2 4.5Å; F92-W124 HydrophobicContact CE2-CH2 4.23Å; F92-W124 HydrophobicContact CZ-CH2 4.43Å; F115-W124 AromaticContact CE1-CH2 3.72Å; F115-W124 HydrophobicContact CE1-CH2 3.72Å; F115-W124 AromaticContact CE1-CZ2 3.73Å; F115-W124 HydrophobicContact CE1-CZ2 3.73Å; F115-W124 HydrophobicContact CE1-CZ3 4.25Å; F115-W124 AromaticContact CZ-CE2 3.91Å; F115-W124 HydrophobicContact CZ-CH2 4.21Å; F115-W124 AromaticContact CZ-CZ2 3.77Å; F115-W124 HydrophobicContact CZ-CZ2 3.77Å; N120-W124 VanDerWaalsContact O-CD1 3.25Å; N120-W124 PolarHBondContact O-N 3.02Å; T122-W124 VanDerWaalsContact C-N 3.32Å; T122-W124 PolarHBondContact O-N 3.3Å; W124-N126 VanDerWaalsContact C-N 3.3Å; W124-N126 PolarHBondContact O-N 2.8Å; W124-L127 HydrophobicContact CE3-CD2 3.83Å; W124-L127 HydrophobicContact CZ3-CD2 3.91Å; W124-L127 WeakPolarHBondContact O-CB 3.34Å; W124-L127 PolarHBondContact O-N 3.12Å; W124-L128 HydrophobicContact CB-CD1 4.12Å; W124-L128 HydrophobicContact CB-CG 4.29Å; W124-L128 WeakPolarHBondContact O-CG 3.18Å; W124-L128 PolarHBondContact O-N 3.43Å; W124-F147 HydrophobicContact CE3-CD1 4.17Å; W124-F147 HydrophobicContact CE3-CE1 4.24Å; W124-F147 HydrophobicContact CH2-CE1 4.39Å; W124-F147 HydrophobicContact CZ3-CD1 4.03Å; W124-F147 AromaticContact CZ3-CE1 3.68Å; W124-F147 HydrophobicContact CZ3-CE1 3.68Å
125	Q	92.1	Very high	91.4	Very high	102 Å²	102	57.2 Å²	57.2	48%	0.477	31%	0.308	S	S	.	.	H	α-helix	trans	-50.7	-47.5	-175	-173.5	163.7	38.5	0	0	112.7	L121 T122 L127 L128 D129	L121-Q125 VanDerWaalsContact O-CA 3.29Å; L121-Q125 WeakPolarHBondContact O-CA 3.11Å; L121-Q125 VanDerWaalsContact O-CB 3.23Å; L121-Q125 WeakPolarHBondContact O-CB 3.3Å; L121-Q125 PolarHBondContact O-N 2.77Å; T122-Q125 WeakPolarHBondContact O-CB 3.25Å; T122-Q125 PolarHBondContact O-N 2.66Å; Q125-L127 PolarHBondContact O-N 3.3Å; Q125-L127 VanDerWaalsContact O-N 3.09Å; Q125-L128 PolarHBondContact O-N 2.77Å; Q125-L128 VanDerWaalsContact O-N 3.09Å; Q125-D129 VanDerWaalsContact CG-OD2 3.31Å; Q125-D129 WeakPolarHBondContact CG-OD2 3.36Å; Q125-D129 WeakPolarHBondContact O-CB 3.39Å; Q125-D129 VanDerWaalsContact O-CG 3.25Å; Q125-D129 PolarHBondContact O-N 3.03Å
126	N	93.1	Very high	91.6	Very high	99 Å²	99	57.9 Å²	57.9	53%	0.529	31%	0.31	S	S	.	.	H	α-helix	trans	-58.6	-27.9	-178.7	-78	-54.3	0	0	0	114.2	W124 R130	W124-N126 VanDerWaalsContact C-N 3.3Å; W124-N126 PolarHBondContact O-N 2.8Å; N126-R130 WeakPolarHBondContact O-CG 3.14Å
127	L	95.3	Very high	92	Very high	4 Å²	4	62 Å²	62	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-83	-50.5	173.5	-179.2	63.6	0	0	0	109.8	F57 L60 L66 Y70 W124 Q125 D129 R130 F147	F57-L127 HydrophobicContact CD2-CD1 4.15Å; F57-L127 HydrophobicContact CE2-CD1 3.84Å; F57-L127 HydrophobicContact CE2-CG 3.79Å; F57-L127 WeakPolarHBondContact CE2-O 3.28Å; F57-L127 HydrophobicContact CZ-CG 4.5Å; L60-L127 HydrophobicContact CB-CD1 3.74Å; L60-L127 HydrophobicContact CD1-CD1 4.44Å; L66-L127 HydrophobicContact CD2-CD2 3.78Å; Y70-L127 HydrophobicContact CE2-CB 4.3Å; Y70-L127 HydrophobicContact CE2-CD2 4.29Å; Y70-L127 WeakPolarHBondContact OH-CB 3.45Å; W124-L127 HydrophobicContact CE3-CD2 3.83Å; W124-L127 HydrophobicContact CZ3-CD2 3.91Å; W124-L127 WeakPolarHBondContact O-CB 3.34Å; W124-L127 PolarHBondContact O-N 3.12Å; Q125-L127 PolarHBondContact O-N 3.3Å; Q125-L127 VanDerWaalsContact O-N 3.09Å; L127-D129 VanDerWaalsContact C-N 3.3Å; L127-D129 PolarHBondContact O-N 3.06Å; L127-R130 VanDerWaalsContact O-CB 3.3Å; L127-R130 WeakPolarHBondContact O-CB 3.3Å; L127-R130 PolarHBondContact O-N 3.38Å; L127-F147 HydrophobicContact CD2-CE1 4.37Å; L127-F147 HydrophobicContact CD2-CE2 4.26Å; L127-F147 HydrophobicContact CD2-CZ 4.09Å
128	L	95	Very high	92.9	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-34.6	-174.8	-62.8	178.6	0	0	0	113	L121 W124 Q125 R130 Y131 Y145 F147 I239	L121-L128 HydrophobicContact CD2-CD1 3.65Å; W124-L128 HydrophobicContact CB-CD1 4.12Å; W124-L128 HydrophobicContact CB-CG 4.29Å; W124-L128 WeakPolarHBondContact O-CG 3.18Å; W124-L128 PolarHBondContact O-N 3.43Å; Q125-L128 PolarHBondContact O-N 2.77Å; Q125-L128 VanDerWaalsContact O-N 3.09Å; L128-R130 PolarHBondContact O-N 2.65Å; L128-R130 VanDerWaalsContact O-N 3.11Å; L128-Y131 WeakPolarHBondContact O-CB 3.32Å; L128-Y131 PolarHBondContact O-N 2.73Å; L128-Y131 VanDerWaalsContact O-N 3.09Å; L128-Y145 HydrophobicContact CB-CD2 4.28Å; L128-F147 HydrophobicContact CD2-CB 3.84Å; L128-F147 HydrophobicContact CD2-CG 4.48Å; L128-I239 HydrophobicContact CD2-CD1 4.01Å
129	D	95.4	Very high	93.5	Very high	105 Å²	105	61.4 Å²	61.4	56%	0.561	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-10.8	175.1	-71.1	-6.7	0	0	0	113.3	Q125 L127	Q125-D129 VanDerWaalsContact CG-OD2 3.31Å; Q125-D129 WeakPolarHBondContact CG-OD2 3.36Å; Q125-D129 WeakPolarHBondContact O-CB 3.39Å; Q125-D129 VanDerWaalsContact O-CG 3.25Å; Q125-D129 PolarHBondContact O-N 3.03Å; L127-D129 VanDerWaalsContact C-N 3.3Å; L127-D129 PolarHBondContact O-N 3.06Å
130	R	97.3	Very high	94	Very high	118 Å²	118	65.1 Å²	65.1	45%	0.445	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-11.4	176.4	-54	-59.8	-176.6	176.9	-3.4	113	F57 L60 N126 L127 L128	F57-R130 HydrophobicContact CD2-CB 4.12Å; L60-R130 HydrophobicContact CD1-CB 3.97Å; L60-R130 HydrophobicContact CD1-CG 3.77Å; N126-R130 WeakPolarHBondContact O-CG 3.14Å; L127-R130 VanDerWaalsContact O-CB 3.3Å; L127-R130 WeakPolarHBondContact O-CB 3.3Å; L127-R130 PolarHBondContact O-N 3.38Å; L128-R130 PolarHBondContact O-N 2.65Å; L128-R130 VanDerWaalsContact O-N 3.11Å
131	Y	97.7	Very high	94.4	Very high	11 Å²	11	66.1 Å²	66.1	4%	0.043	36%	0.361	C	S	.	.			trans	-75.8	129.4	176.9	176.7	-116.1	0	0	0	110.5	N54 F57 L128 A133 Y145 E167 I239	N54-Y131 WeakPolarHBondContact ND2-CE2 3.37Å; N54-Y131 WeakPolarHBondContact OD1-CD2 3.47Å; F57-Y131 AromaticContact CD1-CD2 3.78Å; F57-Y131 HydrophobicContact CD1-CD2 3.78Å; F57-Y131 AromaticContact CE1-CD2 3.72Å; F57-Y131 HydrophobicContact CE1-CD2 3.72Å; F57-Y131 HydrophobicContact CE1-CG 4.3Å; F57-Y131 HydrophobicContact CG-CD2 4.34Å; F57-Y131 HydrophobicContact CZ-CD2 4.26Å; F57-Y131 HydrophobicContact CZ-CG 4.39Å; L128-Y131 WeakPolarHBondContact O-CB 3.32Å; L128-Y131 PolarHBondContact O-N 2.73Å; L128-Y131 VanDerWaalsContact O-N 3.09Å; Y131-A133 HydrophobicContact CD1-CB 4.3Å; Y131-A133 HydrophobicContact CE1-CB 3.83Å; Y131-Y145 HydrophobicContact CD1-CD1 4.33Å; Y131-Y145 AromaticContact CD1-CE1 3.91Å; Y131-Y145 HydrophobicContact CD1-CE1 3.91Å; Y131-Y145 HydrophobicContact CD1-CE2 4.31Å; Y131-Y145 AromaticContact CD1-CZ 3.89Å; Y131-Y145 HydrophobicContact CE1-CD1 4.43Å; Y131-Y145 HydrophobicContact CE1-CE1 4.04Å; Y131-E167 PolarHBondContact OH-OE2 2.83Å; Y131-I239 HydrophobicContact CD1-CD1 3.68Å; Y131-I239 HydrophobicContact CD1-CG1 4.41Å; Y131-I239 HydrophobicContact CD1-CG2 4.48Å; Y131-I239 HydrophobicContact CD2-CD1 4.26Å; Y131-I239 HydrophobicContact CD2-CG2 3.83Å; Y131-I239 HydrophobicContact CE1-CD1 4.08Å; Y131-I239 HydrophobicContact CE1-CG1 4.31Å; Y131-I239 HydrophobicContact CE1-CG2 4.04Å; Y131-I239 HydrophobicContact CE2-CG2 3.31Å; Y131-I239 HydrophobicContact CG-CD1 3.77Å; Y131-I239 HydrophobicContact CG-CG2 4.38Å; Y131-I239 VanDerWaalsContact CZ-CG2 3.43Å
132	Q	97.2	Very high	94.9	Very high	111 Å²	111	65.3 Å²	65.3	52%	0.519	36%	0.363	S	S	.	.			trans	-94.4	104.7	170.9	-61	-169.2	57.5	0	0	108.3	T52 D53 N54	T52-Q132 VanDerWaalsContact CG2-O 3.26Å; T52-Q132 WeakPolarHBondContact CG2-O 3.29Å; D53-Q132 PolarHBondContact O-NE2 3.36Å; N54-Q132 PolarHBondContact ND2-O 3.49Å; N54-Q132 VanDerWaalsContact ND2-O 3.07Å; N54-Q132 PolarHBondContact OD1-N 2.86Å
133	A	96.7	Very high	95.2	Very high	34 Å²	34	63.1 Å²	63.1	28%	0.281	36%	0.357	S	S	.	.			trans	-69.1	155.2	176	0	0	0	0	0	111.5	Y131 Y145	Y131-A133 HydrophobicContact CD1-CB 4.3Å; Y131-A133 HydrophobicContact CE1-CB 3.83Å; A133-Y145 HydrophobicContact CB-CE1 4.09Å
134	P	96.6	Very high	95.3	Very high	10 Å²	10	61.9 Å²	61.9	7%	0.065	36%	0.36	C	S	.	.			trans	-54	143.5	172.1	-23.2	32.9	0	0	0	111.2	V51 T52 Y136 F165 V219	V51-P134 HydrophobicContact CG1-CB 4.35Å; T52-P134 HydrophobicContact CG2-CB 4.44Å; T52-P134 HydrophobicContact CG2-CG 4.17Å; P134-Y136 HydrophobicContact CB-CD2 4.24Å; P134-Y136 PolarHBondContact O-N 2.55Å; P134-F165 HydrophobicContact CB-CD1 4.26Å; P134-F165 HydrophobicContact CB-CE1 4.43Å; P134-F165 HydrophobicContact CB-CG 4.32Å; P134-F165 HydrophobicContact CG-CB 4.03Å; P134-F165 HydrophobicContact CG-CD1 4.12Å; P134-F165 HydrophobicContact CG-CD2 4.38Å; P134-F165 HydrophobicContact CG-CG 3.93Å; P134-V219 HydrophobicContact CB-CG1 4.28Å; P134-V219 HydrophobicContact CG-CB 4.35Å; P134-V219 HydrophobicContact CG-CG1 3.49Å; P134-V219 VanDerWaalsContact CG-CG1 3.49Å; P134-V219 HydrophobicContact CG-CG2 4.01Å
135	P	96.4	Very high	95.5	Very high	86 Å²	86	65.2 Å²	65.2	56%	0.558	37%	0.373	S	S	*	.	S	Bend	trans	-74.6	0.2	-172	32.3	-37.6	0	0	0	113.9	V51	V51-P135 VanDerWaalsContact CG2-CD 3.44Å; V51-P135 HydrophobicContact CG2-CG 3.65Å
136	Y	98	Very high	95.6	Very high	14 Å²	14	60.5 Å²	60.5	6%	0.055	35%	0.351	C	S	.	.			trans	-87.6	139	-176.6	-54.6	-70.1	0	0	0	111.4	L31 Q33 F36 I48 V51 P134 F165	L31-Y136 WeakPolarHBondContact CB-OH 3.49Å; L31-Y136 HydrophobicContact CD2-CE1 4.22Å; L31-Y136 HydrophobicContact CD2-CE2 4.36Å; L31-Y136 HydrophobicContact CG-CE1 4.06Å; L31-Y136 VanDerWaalsContact O-CE1 3.25Å; L31-Y136 WeakPolarHBondContact O-CE1 3.37Å; L31-Y136 PolarHBondContact O-OH 2.79Å; Q33-Y136 VanDerWaalsContact OE1-CA 3.28Å; F36-Y136 HydrophobicContact CB-CD1 3.7Å; F36-Y136 HydrophobicContact CB-CE1 4.03Å; F36-Y136 HydrophobicContact CB-CG 4.4Å; F36-Y136 HydrophobicContact CD1-CD1 4.12Å; F36-Y136 HydrophobicContact CD1-CG 4.19Å; F36-Y136 HydrophobicContact CD2-CD1 4.39Å; F36-Y136 HydrophobicContact CD2-CG 4.27Å; F36-Y136 AromaticContact CG-CD1 3.81Å; F36-Y136 HydrophobicContact CG-CD1 3.81Å; F36-Y136 HydrophobicContact CG-CE1 4.49Å; F36-Y136 HydrophobicContact CG-CG 4.01Å; I48-Y136 HydrophobicContact CD1-CD2 3.99Å; I48-Y136 HydrophobicContact CD1-CE2 3.58Å; I48-Y136 HydrophobicContact CG2-CE2 4.23Å; V51-Y136 HydrophobicContact CG2-CE2 3.77Å; P134-Y136 HydrophobicContact CB-CD2 4.24Å; P134-Y136 PolarHBondContact O-N 2.55Å; Y136-F165 HydrophobicContact CD2-CE1 4.26Å; Y136-F165 HydrophobicContact CD2-CZ 4.38Å; Y136-F165 HydrophobicContact CG-CZ 4.46Å
137	F	96.5	Very high	95.7	Very high	122 Å²	122	55.8 Å²	55.8	54%	0.535	33%	0.326	S	S	.	.			trans	-135.2	159.5	179.9	66.8	-87.1	0	0	0	112.1	Q33	Q33-F137 HydrophobicContact CG-CD1 4.45Å; Q33-F137 HydrophobicContact CG-CE1 3.92Å; Q33-F137 HydrophobicContact CG-CZ 4.35Å; Q33-F137 PolarHBondContact NE2-O 3.15Å
138	L	97.2	Very high	95.8	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.026	33%	0.325	C	S	.	.			trans	-105.1	130	170.3	-62.6	179.9	0	0	0	109	F36 L37 A41 F42 G140 R141 P163 L243	F36-L138 HydrophobicContact CE1-CD2 4.05Å; L37-L138 HydrophobicContact CD2-CD2 3.88Å; A41-L138 HydrophobicContact CB-CD2 3.58Å; F42-L138 HydrophobicContact CE1-CD2 4.26Å; F42-L138 HydrophobicContact CZ-CD2 4Å; L138-G140 PolarHBondContact O-N 3.19Å; L138-R141 HydrophobicContact CB-CB 4.18Å; L138-R141 HydrophobicContact CB-CG 4.08Å; L138-R141 PolarHBondContact O-N 2.9Å; L138-P163 HydrophobicContact CD1-CB 3.97Å; L138-P163 HydrophobicContact CD1-CG 3.47Å; L138-P163 VanDerWaalsContact CD1-CG 3.47Å; L138-L243 HydrophobicContact CD1-CB 4.15Å; L138-L243 HydrophobicContact CD1-CD1 3.76Å; L138-L243 HydrophobicContact CG-CD1 3.79Å
139	P	95.4	Very high	95.9	Very high	87 Å²	87	55.4 Å²	55.4	57%	0.565	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	132.7	178.9	-27	34.8	0	0	0	112.4	R141	P139-R141 VanDerWaalsContact C-N 3.27Å; P139-R141 PolarHBondContact O-N 3.41Å
140	G	94.6	Very high	95.9	Very high	93 Å²	93	50.4 Å²	50.4	96%	0.959	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	9.2	177.4	0	0	0	0	0	115.4	L138	L138-G140 PolarHBondContact O-N 3.19Å
141	R	94.4	Very high	95.9	Very high	92 Å²	92	44.9 Å²	44.9	35%	0.347	28%	0.277	S	S	.	.			trans	-112.9	155.5	177.5	-60.1	-161.8	-179.4	-138	0.9	112.2	L138 P139 L243 G244	L138-R141 HydrophobicContact CB-CB 4.18Å; L138-R141 HydrophobicContact CB-CG 4.08Å; L138-R141 PolarHBondContact O-N 2.9Å; P139-R141 VanDerWaalsContact C-N 3.27Å; P139-R141 PolarHBondContact O-N 3.41Å; R141-L243 WeakPolarHBondContact CD-O 3.49Å; R141-L243 PolarHBondContact NH1-O 3.19Å; R141-G244 CarbonylContact C-O 3.55Å; R141-G244 WeakPolarHBondContact CA-O 3.46Å
142	S	93.6	Very high	95.8	Very high	79 Å²	79	44.6 Å²	44.6	55%	0.552	28%	0.277	S	S	*	.			trans	-110.6	151.6	177.4	62.6	0	0	0	0	111	L243 G244	S142-L243 CarbonylContact O-C 3.58Å; S142-L243 WeakPolarHBondContact O-CA 3.31Å; S142-G244 PolarHBondContact N-O 3.2Å; S142-G244 PolarHBondContact O-N 3.16Å; S142-G244 PolarHBondContact OG-O 2.73Å; S142-G244 VanDerWaalsContact OG-O 3.13Å
143	A	94.3	Very high	95.8	Very high	64 Å²	64	39.5 Å²	39.5	53%	0.529	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.5	177.1	0	0	0	0	0	110.6	T241 F242 L243	A143-T241 HydrophobicContact CB-CG2 3.71Å; A143-F242 CarbonylContact C-O 3.59Å; A143-F242 WeakPolarHBondContact CA-O 3.48Å; A143-L243 HydrophobicContact CB-CD2 4.42Å
144	A	93.6	Very high	95.7	Very high	53 Å²	53	38.1 Å²	38.1	44%	0.438	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.1	170.9	0	0	0	0	0	110.2	T241 F242	A144-T241 CarbonylContact O-C 3.53Å; A144-T241 WeakPolarHBondContact O-CA 3.48Å; A144-F242 PolarHBondContact N-O 2.8Å; A144-F242 PolarHBondContact O-N 3.27Å
145	Y	94.8	Very high	95.6	Very high	72 Å²	72	37.7 Å²	37.7	28%	0.282	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	142.8	-178.6	-60.6	-33.5	0	0	0	112.6	L128 Y131 A133 I239 S240 T241	L128-Y145 HydrophobicContact CB-CD2 4.28Å; Y131-Y145 HydrophobicContact CD1-CD1 4.33Å; Y131-Y145 AromaticContact CD1-CE1 3.91Å; Y131-Y145 HydrophobicContact CD1-CE1 3.91Å; Y131-Y145 HydrophobicContact CD1-CE2 4.31Å; Y131-Y145 AromaticContact CD1-CZ 3.89Å; Y131-Y145 HydrophobicContact CE1-CD1 4.43Å; Y131-Y145 HydrophobicContact CE1-CE1 4.04Å; A133-Y145 HydrophobicContact CB-CE1 4.09Å; Y145-I239 HydrophobicContact CG-CD1 4.37Å; Y145-S240 CarbonylContact C-O 3.57Å; Y145-S240 WeakPolarHBondContact CA-O 3.32Å; Y145-T241 HydrophobicContact CD1-CG2 4.08Å; Y145-T241 HydrophobicContact CE1-CG2 3.87Å
146	S	94.2	Very high	95.6	Very high	3 Å²	3	34 Å²	34	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	108	166.2	175.8	0	0	0	0	109	F116 G117 N119 I239 S240	F116-S146 VanDerWaalsContact CD2-OG 3.27Å; F116-S146 WeakPolarHBondContact CD2-OG 3.37Å; F116-S146 WeakPolarHBondContact CE2-OG 3.22Å; G117-S146 VanDerWaalsContact CA-OG 3.25Å; G117-S146 WeakPolarHBondContact CA-OG 3.24Å; G117-S146 PolarHBondContact N-OG 2.04Å; G117-S146 VanDerWaalsContact N-OG 3.12Å; N119-S146 WeakPolarHBondContact OD1-CA 3.41Å; S146-I239 CarbonylContact O-C 3.53Å; S146-I239 WeakPolarHBondContact O-CA 3.43Å; S146-S240 PolarHBondContact N-O 2.9Å; S146-S240 PolarHBondContact O-N 2.96Å
147	F	96	Very high	95.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	143.5	175.6	177	-98.3	0	0	0	110.2	F57 L66 F115 N119 W124 L127 L128 I149 V237	F57-F147 HydrophobicContact CZ-CD2 4.22Å; F57-F147 HydrophobicContact CZ-CE2 4.26Å; L66-F147 HydrophobicContact CD1-CZ 4.35Å; F115-F147 AromaticContact CE1-CD1 3.98Å; F115-F147 HydrophobicContact CE1-CD1 3.98Å; F115-F147 HydrophobicContact CE1-CE1 4.17Å; N119-F147 PolarHBondContact ND2-O 3.47Å; N119-F147 PolarHBondContact OD1-N 2.96Å; N119-F147 PolarHBondContact OD1-O 2.89Å; N119-F147 VanDerWaalsContact OD1-O 3.13Å; W124-F147 HydrophobicContact CE3-CD1 4.17Å; W124-F147 HydrophobicContact CE3-CE1 4.24Å; W124-F147 HydrophobicContact CH2-CE1 4.39Å; W124-F147 HydrophobicContact CZ3-CD1 4.03Å; W124-F147 AromaticContact CZ3-CE1 3.68Å; W124-F147 HydrophobicContact CZ3-CE1 3.68Å; L127-F147 HydrophobicContact CD2-CE1 4.37Å; L127-F147 HydrophobicContact CD2-CE2 4.26Å; L127-F147 HydrophobicContact CD2-CZ 4.09Å; L128-F147 HydrophobicContact CD2-CB 3.84Å; L128-F147 HydrophobicContact CD2-CG 4.48Å; F147-I149 HydrophobicContact CE1-CD1 4.02Å; F147-I149 HydrophobicContact CE1-CG1 3.82Å; F147-I149 HydrophobicContact CZ-CD1 4.22Å; F147-I149 HydrophobicContact CZ-CG1 4.05Å; F147-V237 HydrophobicContact CD2-CG1 4.49Å; F147-V237 HydrophobicContact CE2-CG1 3.39Å; F147-V237 HydrophobicContact CZ-CG1 3.48Å; F147-V237 VanDerWaalsContact CZ-CG1 3.48Å
148	G	96.3	Very high	95.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	155	179.9	0	0	0	0	0	114.3	F115 V237 F238	F115-G148 CarbonylContact O-C 3.37Å; F115-G148 WeakPolarHBondContact O-CA 3.49Å; G148-V237 WeakPolarHBondContact O-CA 3.32Å; G148-F238 PolarHBondContact N-O 3.15Å; G148-F238 PolarHBondContact O-N 3.27Å
149	I	97.4	Very high	95.6	Very high	5 Å²	5	29 Å²	29	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.7	172	-50.3	-175.6	0	0	0	106.8	L66 F92 Y95 L100 F115 F147 S236 V237	L66-I149 HydrophobicContact CD1-CD1 3.61Å; F92-I149 HydrophobicContact CE2-CD1 3.65Å; F92-I149 HydrophobicContact CZ-CD1 3.55Å; Y95-I149 HydrophobicContact CE1-CB 4.17Å; Y95-I149 HydrophobicContact CE1-CG2 4.33Å; Y95-I149 PolarHBondContact OH-O 2.96Å; L100-I149 HydrophobicContact CD1-CG2 3.83Å; L100-I149 HydrophobicContact CD2-CG2 3.79Å; L100-I149 HydrophobicContact CG-CG2 4.5Å; F115-I149 HydrophobicContact CD1-CB 4.5Å; F115-I149 HydrophobicContact CD1-CG1 4.26Å; F115-I149 PolarHBondContact N-O 3.06Å; F115-I149 PolarHBondContact O-N 2.63Å; F147-I149 HydrophobicContact CE1-CD1 4.02Å; F147-I149 HydrophobicContact CE1-CG1 3.82Å; F147-I149 HydrophobicContact CZ-CD1 4.22Å; F147-I149 HydrophobicContact CZ-CG1 4.05Å; I149-S236 CarbonylContact C-O 3.56Å; I149-S236 VanDerWaalsContact CA-O 3.3Å; I149-S236 WeakPolarHBondContact CA-O 3.48Å; I149-V237 HydrophobicContact CD1-CG2 4.46Å; I149-V237 HydrophobicContact CG1-CG1 4.41Å; I149-V237 HydrophobicContact CG1-CG2 4.21Å; I149-V237 HydrophobicContact CG2-CG2 4.33Å
150	A	96.6	Very high	95.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	151.4	-174.9	0	0	0	0	0	112.1	Y114 T154 N232 T235 S236 F238	Y114-A150 HydrophobicContact CD2-CB 3.76Å; Y114-A150 HydrophobicContact CG-CB 4.06Å; A150-T154 WeakPolarHBondContact CB-OG1 3.27Å; A150-N232 VanDerWaalsContact CB-ND2 3.25Å; A150-N232 WeakPolarHBondContact CB-ND2 3.31Å; A150-T235 CarbonylContact O-C 3.57Å; A150-T235 WeakPolarHBondContact O-CA 3.49Å; A150-S236 PolarHBondContact N-O 3.22Å; A150-S236 PolarHBondContact O-N 3.15Å; A150-F238 HydrophobicContact CB-CE1 3.83Å
151	G	96.3	Very high	95.7	Very high	2 Å²	2	29 Å²	29	2%	0.021	16%	0.156	C	C	.	.			trans	-84.3	164.5	178.5	0	0	0	0	0	112.5	T154	G151-T154 WeakPolarHBondContact O-CB 3.48Å; G151-T154 WeakPolarHBondContact O-CG2 3.01Å; G151-T154 PolarHBondContact O-N 3.33Å; G151-T154 PolarHBondContact O-OG1 2.8Å
152	P	96.7	Very high	95.8	Very high	5 Å²	5	26 Å²	26	3%	0.032	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	144.6	175.8	-21.9	29.9	0	0	0	112.6	P102 Q103 T154 N232 T235	P102-P152 CarbonylContact C-O 3.54Å; P102-P152 WeakPolarHBondContact CA-O 3.18Å; P102-P152 HydrophobicContact CB-CB 4.32Å; P102-P152 HydrophobicContact CG-CB 4.45Å; P102-P152 HydrophobicContact CG-CG 4.15Å; Q103-P152 PolarHBondContact N-O 2.88Å; P152-T154 PolarHBondContact O-N 2.79Å; P152-N232 CarbonylContact C-O 3.55Å; P152-T235 WeakPolarHBondContact CD-OG1 3.08Å
153	G	95.8	Very high	96	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.031	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	-8.6	178.7	0	0	0	0	0	115.3	Q103 L231 N232	Q103-G153 VanDerWaalsContact CD-O 3.31Å; Q103-G153 PolarHBondContact NE2-O 3.02Å; Q103-G153 PolarHBondContact OE1-O 2.76Å; G153-L231 WeakPolarHBondContact O-CD1 3.4Å; G153-N232 PolarHBondContact N-O 2.86Å
154	T	95.8	Very high	96.2	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.031	10%	0.103	C	C	.	.			trans	-82.3	161.2	174.2	69.2	0	0	0	0	111.4	Q103 T112 A150 G151 P152 N232	Q103-T154 HydrophobicContact CB-CG2 3.97Å; T112-T154 HydrophobicContact CG2-CG2 3.64Å; A150-T154 WeakPolarHBondContact CB-OG1 3.27Å; G151-T154 WeakPolarHBondContact O-CB 3.48Å; G151-T154 WeakPolarHBondContact O-CG2 3.01Å; G151-T154 PolarHBondContact O-N 3.33Å; G151-T154 PolarHBondContact O-OG1 2.8Å; P152-T154 PolarHBondContact O-N 2.79Å; T154-N232 PolarHBondContact O-N 2.66Å; T154-N232 PolarHBondContact O-ND2 3.32Å; T154-N232 PolarHBondContact OG1-ND2 2.87Å
155	G	94.9	Very high	96.4	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.01	8%	0.082	C	C	.	.			trans	162.5	176.9	173	0	0	0	0	0	111.4	A80 T230	A80-G155 WeakPolarHBondContact CB-O 3.31Å; G155-T230 CarbonylContact C-O 3.58Å; G155-T230 VanDerWaalsContact CA-O 3.3Å; G155-T230 WeakPolarHBondContact CA-O 3.4Å
156	V	95.1	Very high	96.6	Very high	8 Å²	8	13.4 Å²	13.4	5%	0.048	7%	0.069	C	C	.	.			trans	-95.4	132.1	178.2	-164.4	0	0	0	0	109.8	Y114 H159 T192 A229 T230	Y114-V156 WeakPolarHBondContact OH-CG2 3.36Å; V156-H159 VanDerWaalsContact CG1-CE1 3.43Å; V156-H159 WeakPolarHBondContact CG1-CE1 3.48Å; V156-H159 WeakPolarHBondContact CG1-ND1 3.25Å; V156-T192 PolarHBondContact O-OG1 3.37Å; V156-A229 CarbonylContact O-C 3.56Å; V156-A229 VanDerWaalsContact O-CA 3.29Å; V156-A229 WeakPolarHBondContact O-CA 2.99Å; V156-T230 PolarHBondContact N-O 2.98Å; V156-T230 PolarHBondContact N-OG1 2.83Å; V156-T230 PolarHBondContact O-N 3.06Å
157	P	96.6	Very high	96.8	Very high	5 Å²	5	13.5 Å²	13.5	3%	0.032	7%	0.069	C	C	.	.			trans	-60.4	178	168.5	-22.5	33	0	0	0	111.9	A80 H159 F186 R190 T192	A80-P157 WeakPolarHBondContact O-CD 3.36Å; P157-H159 PolarHBondContact O-N 2.9Å; P157-H159 PolarHBondContact O-ND1 2.65Å; P157-F186 HydrophobicContact CB-CD2 4.23Å; P157-R190 WeakPolarHBondContact CG-O 3.24Å; P157-T192 WeakPolarHBondContact CA-OG1 3.35Å
158	F	97.9	Very high	96.9	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.009	7%	0.069	C	C	.	.	S	Bend	trans	-56.8	130.7	-179.8	-68.8	-79	0	0	0	111.8	T82 F176 Y178 P184 F186 W195 W227 H228 A229	T82-F158 WeakPolarHBondContact CG2-O 3.4Å; T82-F158 PolarHBondContact OG1-O 2.85Å; F158-F176 HydrophobicContact CE1-CB 3.81Å; F158-F176 WeakPolarHBondContact CE1-O 3.44Å; F158-F176 HydrophobicContact CZ-CB 3.63Å; F158-F176 HydrophobicContact CZ-CG 4.48Å; F158-Y178 HydrophobicContact CD1-CD2 4.2Å; F158-Y178 HydrophobicContact CD1-CE2 4.44Å; F158-Y178 AromaticContact CE1-CD2 3.63Å; F158-Y178 HydrophobicContact CE1-CD2 3.63Å; F158-Y178 AromaticContact CE1-CE2 3.6Å; F158-Y178 HydrophobicContact CE1-CE2 3.6Å; F158-Y178 HydrophobicContact CE2-CE2 4.47Å; F158-Y178 HydrophobicContact CZ-CD2 4.15Å; F158-Y178 AromaticContact CZ-CE2 3.62Å; F158-Y178 HydrophobicContact CZ-CE2 3.62Å; F158-P184 HydrophobicContact CB-CG 3.6Å; F158-P184 HydrophobicContact CD1-CB 4.19Å; F158-P184 HydrophobicContact CD1-CG 3.67Å; F158-P184 HydrophobicContact CD2-CB 4.02Å; F158-P184 HydrophobicContact CD2-CG 3.94Å; F158-P184 HydrophobicContact CE1-CB 4.41Å; F158-P184 HydrophobicContact CE1-CG 4.34Å; F158-P184 HydrophobicContact CE2-CB 4.26Å; F158-P184 HydrophobicContact CG-CB 3.99Å; F158-P184 HydrophobicContact CG-CG 3.43Å; F158-P184 VanDerWaalsContact CG-CG 3.43Å; F158-P184 HydrophobicContact CZ-CB 4.45Å; F158-F186 HydrophobicContact CB-CD1 3.74Å; F158-F186 HydrophobicContact CB-CD2 4.08Å; F158-F186 HydrophobicContact CB-CE1 3.69Å; F158-F186 HydrophobicContact CB-CE2 4.01Å; F158-F186 HydrophobicContact CB-CG 3.95Å; F158-F186 HydrophobicContact CB-CZ 3.83Å; F158-F186 HydrophobicContact CD2-CB 3.95Å; F158-F186 HydrophobicContact CD2-CD1 4.18Å; F158-F186 AromaticContact CD2-CG 3.98Å; F158-F186 HydrophobicContact CD2-CG 3.98Å; F158-F186 HydrophobicContact CG-CD1 4.34Å; F158-F186 HydrophobicContact CG-CG 4.45Å; F158-F186 WeakPolarHBondContact O-CE2 2.88Å; F158-F186 WeakPolarHBondContact O-CZ 3.43Å; F158-W195 AromaticContact CE2-CD2 3.84Å; F158-W195 HydrophobicContact CE2-CD2 3.84Å; F158-W195 AromaticContact CE2-CE2 3.53Å; F158-W195 HydrophobicContact CE2-CE3 4.12Å; F158-W195 HydrophobicContact CE2-CG 4.47Å; F158-W195 AromaticContact CE2-CH2 3.8Å; F158-W195 HydrophobicContact CE2-CH2 3.8Å; F158-W195 AromaticContact CE2-CZ2 3.52Å; F158-W195 HydrophobicContact CE2-CZ2 3.52Å; F158-W195 HydrophobicContact CE2-CZ3 4.11Å; F158-W195 AromaticContact CE2-NE1 3.99Å; F158-W195 AromaticContact CZ-CH2 3.69Å; F158-W195 HydrophobicContact CZ-CH2 3.69Å; F158-W195 AromaticContact CZ-CZ2 3.78Å; F158-W195 HydrophobicContact CZ-CZ2 3.78Å; F158-W195 HydrophobicContact CZ-CZ3 4.13Å; F158-W227 HydrophobicContact CB-CE3 4.3Å; F158-W227 HydrophobicContact CD1-CB 4.46Å; F158-H228 WeakPolarHBondContact CA-O 3.28Å; F158-A229 HydrophobicContact CD1-CB 3.66Å; F158-A229 HydrophobicContact CD2-CB 3.84Å; F158-A229 HydrophobicContact CE1-CB 3.64Å; F158-A229 HydrophobicContact CE2-CB 3.8Å; F158-A229 HydrophobicContact CG-CB 3.76Å; F158-A229 HydrophobicContact CZ-CB 3.7Å
159	H	96.7	Very high	97	Very high	30 Å²	30	13.8 Å²	13.8	14%	0.139	7%	0.07	C	C	.	.	B	Isolated β-bridge	trans	-157	177.2	173.6	63.9	-66.6	0	0	0	108.2	T82 V156 P157 H161 W227 H228	T82-H159 HydrophobicContact CG2-CB 4Å; V156-H159 VanDerWaalsContact CG1-CE1 3.43Å; V156-H159 WeakPolarHBondContact CG1-CE1 3.48Å; V156-H159 WeakPolarHBondContact CG1-ND1 3.25Å; P157-H159 PolarHBondContact O-N 2.9Å; P157-H159 PolarHBondContact O-ND1 2.65Å; H159-H161 AromaticContact CD2-CD2 3.81Å; H159-H161 AromaticContact NE2-CD2 3.9Å; H159-H161 AromaticContact NE2-NE2 3.76Å; H159-W227 CarbonylContact O-C 3.56Å; H159-W227 WeakPolarHBondContact O-CA 3.27Å; H159-H228 AromaticContact CD2-NE2 3.86Å; H159-H228 AromaticContact CE1-CD2 3.57Å; H159-H228 AromaticContact CE1-NE2 3.48Å; H159-H228 PolarHBondContact CE1-NE2 2.69Å; H159-H228 PolarHBondContact N-O 3.3Å; H159-H228 VanDerWaalsContact N-O 3.15Å; H159-H228 PolarHBondContact ND1-O 3.1Å; H159-H228 AromaticContact NE2-CD2 3.89Å; H159-H228 AromaticContact NE2-NE2 3.31Å; H159-H228 PolarHBondContact NE2-NE2 3.09Å; H159-H228 PolarHBondContact O-N 2.98Å; H159-H228 PolarHBondContact O-ND1 3.31Å
160	W	96.8	Very high	97	Very high	126 Å²	126	17.1 Å²	17.1	48%	0.477	8%	0.083	S	C	.	.			trans	-146.8	158	173.5	62.9	-97.3	0	0	0	110.4	R225 W226 W227	W160-R225 HydrophobicContact CD2-CB 4.48Å; W160-R225 HydrophobicContact CE3-CB 4.1Å; W160-R225 HydrophobicContact CE3-CG 3.78Å; W160-R225 HydrophobicContact CZ3-CG 3.89Å; W160-W226 WeakPolarHBondContact CB-O 3.39Å; W160-W227 AromaticContact CD1-CD2 3.89Å; W160-W227 AromaticContact CD1-CE2 3.82Å; W160-W227 AromaticContact CD1-CE3 3.79Å; W160-W227 AromaticContact CD1-CH2 3.62Å; W160-W227 AromaticContact CD1-CZ2 3.69Å; W160-W227 AromaticContact CD1-CZ3 3.67Å; W160-W227 AromaticContact NE1-CH2 3.87Å; W160-W227 AromaticContact NE1-CZ2 3.92Å
161	H	95.6	Very high	97	Very high	54 Å²	54	18.1 Å²	18.1	25%	0.25	9%	0.093	C	C	.	.			trans	-160.4	-161.6	173.7	50	50.5	0	0	0	108.9	H159 F222 R225 H228 F242	H159-H161 AromaticContact CD2-CD2 3.81Å; H159-H161 AromaticContact NE2-CD2 3.9Å; H159-H161 AromaticContact NE2-NE2 3.76Å; H161-F222 AromaticContact CE1-CE2 3.36Å; H161-F222 WeakPolarHBondContact CE1-CE2 3.41Å; H161-F222 AromaticContact CE1-CZ 3.63Å; H161-F222 AromaticContact ND1-CE2 3.78Å; H161-R225 PolarHBondContact O-N 3.03Å; H161-H228 AromaticContact CE1-CE1 3.43Å; H161-H228 PolarHBondContact CE1-CE1 3Å; H161-H228 VanDerWaalsContact CE1-CE1 3.43Å; H161-H228 AromaticContact CE1-NE2 3.46Å; H161-H228 PolarHBondContact CE1-NE2 3.11Å; H161-H228 AromaticContact ND1-CE1 3.92Å; H161-H228 AromaticContact NE2-CE1 3.58Å; H161-H228 AromaticContact NE2-NE2 3.27Å; H161-H228 PolarHBondContact NE2-NE2 3.25Å; H161-F242 AromaticContact CE1-CD1 3.91Å; H161-F242 AromaticContact CE1-CE1 3.36Å; H161-F242 WeakPolarHBondContact CE1-CE1 3.43Å; H161-F242 AromaticContact NE2-CE1 3.52Å
162	G	97	Very high	97.1	Very high	29 Å²	29	20.2 Å²	20.2	30%	0.299	10%	0.101	S	C	.	.	S	Bend	trans	-54.7	164.1	172.9	0	0	0	0	0	113.5	F222 D224	G162-F222 WeakPolarHBondContact O-CE2 3.42Å; G162-D224 WeakPolarHBondContact CA-OD1 3.3Å
163	P	98.1	Very high	97.2	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.013	10%	0.1	C	C	.	.			trans	-65.1	158.2	177.1	25.1	-27.4	0	0	0	111.5	L138 Y221 F222 D224 L243	L138-P163 HydrophobicContact CD1-CB 3.97Å; L138-P163 HydrophobicContact CD1-CG 3.47Å; L138-P163 VanDerWaalsContact CD1-CG 3.47Å; P163-Y221 HydrophobicContact CB-CE2 4.19Å; P163-Y221 WeakPolarHBondContact CB-OH 3.35Å; P163-F222 WeakPolarHBondContact CA-O 3.22Å; P163-D224 HydrophobicContact CG-CB 4.29Å; P163-L243 HydrophobicContact CG-CB 4.18Å; P163-L243 PolarHBondContact O-N 3.38Å
164	G	98.3	Very high	97.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	171.8	177.3	0	0	0	0	0	114.6	Y221 F222 T241	G164-Y221 VanDerWaalsContact O-CD2 3.3Å; G164-Y221 WeakPolarHBondContact O-CD2 3.33Å; G164-F222 VanDerWaalsContact N-CE2 3.29Å; G164-F222 PolarHBondContact N-O 3.08Å; G164-F222 VanDerWaalsContact N-O 3.07Å; G164-F222 WeakPolarHBondContact O-CD1 3.41Å; G164-F222 WeakPolarHBondContact O-CE1 3.38Å; G164-F222 PolarHBondContact O-N 3.22Å; G164-T241 CarbonylContact C-O 3.51Å; G164-T241 WeakPolarHBondContact CA-O 3.34Å
165	F	98.6	Very high	97.5	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.009	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	148.2	170.1	-60.4	-80.1	0	0	0	110.1	F36 P134 Y136 V219 L220 Y221 S240 T241 L243	F36-F165 HydrophobicContact CE1-CZ 4.37Å; F36-F165 HydrophobicContact CE2-CE1 4.14Å; F36-F165 HydrophobicContact CE2-CZ 4.14Å; F36-F165 HydrophobicContact CZ-CE1 4.16Å; F36-F165 AromaticContact CZ-CZ 3.71Å; F36-F165 HydrophobicContact CZ-CZ 3.71Å; P134-F165 HydrophobicContact CB-CD1 4.26Å; P134-F165 HydrophobicContact CB-CE1 4.43Å; P134-F165 HydrophobicContact CB-CG 4.32Å; P134-F165 HydrophobicContact CG-CB 4.03Å; P134-F165 HydrophobicContact CG-CD1 4.12Å; P134-F165 HydrophobicContact CG-CD2 4.38Å; P134-F165 HydrophobicContact CG-CG 3.93Å; Y136-F165 HydrophobicContact CD2-CE1 4.26Å; Y136-F165 HydrophobicContact CD2-CZ 4.38Å; Y136-F165 HydrophobicContact CG-CZ 4.46Å; F165-V219 HydrophobicContact CB-CG1 4Å; F165-V219 HydrophobicContact CD1-CG1 3.76Å; F165-V219 HydrophobicContact CG-CG1 4.27Å; F165-L220 CarbonylContact C-O 3.59Å; F165-L220 VanDerWaalsContact CA-O 3.23Å; F165-L220 WeakPolarHBondContact CA-O 3.45Å; F165-Y221 AromaticContact CD1-CD2 3.75Å; F165-Y221 HydrophobicContact CD1-CD2 3.75Å; F165-Y221 HydrophobicContact CD1-CG 4.26Å; F165-Y221 AromaticContact CE1-CD2 3.36Å; F165-Y221 HydrophobicContact CE1-CD2 3.36Å; F165-Y221 HydrophobicContact CE1-CE2 4.32Å; F165-Y221 AromaticContact CE1-CG 3.85Å; F165-Y221 HydrophobicContact CE1-CG 3.85Å; F165-Y221 HydrophobicContact CE2-CD2 4.24Å; F165-Y221 HydrophobicContact CG-CD2 4.32Å; F165-Y221 AromaticContact CZ-CD2 3.6Å; F165-Y221 HydrophobicContact CZ-CD2 3.6Å; F165-Y221 HydrophobicContact CZ-CE2 4.12Å; F165-Y221 HydrophobicContact CZ-CG 4.42Å; F165-S240 CarbonylContact O-C 3.6Å; F165-S240 WeakPolarHBondContact O-CA 3.48Å; F165-T241 PolarHBondContact N-O 3.39Å; F165-T241 PolarHBondContact O-N 3.27Å; F165-L243 HydrophobicContact CD2-CD1 4.19Å; F165-L243 HydrophobicContact CE2-CD1 3.65Å; F165-L243 HydrophobicContact CE2-CD2 4.38Å; F165-L243 HydrophobicContact CE2-CG 4.4Å; F165-L243 HydrophobicContact CZ-CD1 4.41Å
166	S	98.3	Very high	97.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131	168.5	-175.4	0	0	0	0	110.4	W175 L220	S166-W175 WeakPolarHBondContact OG-CZ2 3.34Å; S166-L220 PolarHBondContact N-O 2.87Å; S166-L220 PolarHBondContact O-N 2.84Å
167	E	98	Very high	97.8	Very high	5 Å²	5	19.9 Å²	19.9	2%	0.023	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.3	174.7	-168.3	173.9	150.1	0	0	109.5	T52 N54 Y131 I169 V219 F238 I239	T52-E167 PolarHBondContact OG1-OE1 3.48Å; T52-E167 PolarHBondContact OG1-OE2 3.43Å; T52-E167 VanDerWaalsContact OG1-OE2 3.06Å; N54-E167 PolarHBondContact ND2-OE1 3.46Å; N54-E167 PolarHBondContact ND2-OE2 2.98Å; Y131-E167 PolarHBondContact OH-OE2 2.83Å; E167-I169 HydrophobicContact CG-CD1 4.29Å; E167-V219 HydrophobicContact CB-CG2 4.37Å; E167-V219 HydrophobicContact CG-CG2 4.19Å; E167-F238 WeakPolarHBondContact O-CA 3.37Å; E167-F238 WeakPolarHBondContact O-CB 3.29Å; E167-I239 HydrophobicContact CB-CG2 4.28Å; E167-I239 PolarHBondContact N-O 2.93Å; E167-I239 PolarHBondContact O-N 3.31Å
168	V	97.6	Very high	97.9	Very high	1 Å²	1	20 Å²	20	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.6	173.7	-180	0	0	0	0	107.9	Y170 G171 K173 V214 P216	V168-Y170 WeakPolarHBondContact CG1-O 3.44Å; V168-G171 VanDerWaalsContact CG1-O 3.25Å; V168-G171 WeakPolarHBondContact CG1-O 3.03Å; V168-K173 HydrophobicContact CG2-CB 3.66Å; V168-V214 HydrophobicContact CG2-CB 4.26Å; V168-V214 HydrophobicContact CG2-CG1 4.04Å; V168-P216 VanDerWaalsContact O-CA 3.23Å; V168-P216 WeakPolarHBondContact O-CA 3.34Å
169	I	98.1	Very high	97.9	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-40.1	-179.4	-53.4	-55.2	0	0	0	110.6	F57 Q58 C61 E167 V237 I239	F57-I169 HydrophobicContact CD1-CD1 3.68Å; F57-I169 HydrophobicContact CD1-CG1 4.01Å; F57-I169 HydrophobicContact CD1-CG2 4.39Å; F57-I169 HydrophobicContact CE1-CD1 3.74Å; F57-I169 HydrophobicContact CE1-CG1 3.71Å; Q58-I169 HydrophobicContact CB-CG2 3.82Å; Q58-I169 HydrophobicContact CG-CG2 3.89Å; Q58-I169 PolarHBondContact NE2-O 3.45Å; C61-I169 HydrophobicContact CB-CG2 3.92Å; E167-I169 HydrophobicContact CG-CD1 4.29Å; I169-V237 WeakPolarHBondContact CA-O 3.25Å; I169-V237 HydrophobicContact CB-CB 4.3Å; I169-V237 HydrophobicContact CB-CG1 4.2Å; I169-V237 PolarHBondContact N-O 2.79Å; I169-I239 HydrophobicContact CD1-CG2 4.22Å; I169-I239 HydrophobicContact CG1-CG2 4.42Å
170	Y	97.9	Very high	98	Very high	75 Å²	75	23.1 Å²	23.1	29%	0.294	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.1	171.5	-73.8	-75.6	0	0	0	109.9	Q58 C61 V168 S236 V237	Q58-Y170 HydrophobicContact CG-CD2 4.45Å; Q58-Y170 HydrophobicContact CG-CE1 3.92Å; Q58-Y170 HydrophobicContact CG-CE2 3.78Å; Q58-Y170 VanDerWaalsContact CG-CZ 3.48Å; Q58-Y170 VanDerWaalsContact O-CE2 3.22Å; Q58-Y170 WeakPolarHBondContact O-CE2 3.34Å; Q58-Y170 PolarHBondContact O-OH 3.07Å; C61-Y170 HydrophobicContact CB-CD2 4.3Å; C61-Y170 HydrophobicContact CB-CE2 3.97Å; V168-Y170 WeakPolarHBondContact CG1-O 3.44Å; Y170-S236 WeakPolarHBondContact O-CA 3.21Å; Y170-S236 WeakPolarHBondContact O-CB 3.4Å; Y170-V237 HydrophobicContact CD2-CB 4.12Å; Y170-V237 HydrophobicContact CD2-CG2 4.08Å; Y170-V237 PolarHBondContact N-O 3.47Å; Y170-V237 VanDerWaalsContact N-O 3.12Å; Y170-V237 PolarHBondContact O-N 3.34Å
171	G	97.4	Very high	97.9	Very high	21 Å²	21	24 Å²	24	22%	0.216	13%	0.134	C	C	.	.	S	Bend	trans	78.8	-161.6	-179.6	0	0	0	0	0	112.8	V168 P216	V168-G171 VanDerWaalsContact CG1-O 3.25Å; V168-G171 WeakPolarHBondContact CG1-O 3.03Å; G171-P216 VanDerWaalsContact O-CD 3.31Å; G171-P216 WeakPolarHBondContact O-CD 3.44Å
172	R	98.1	Very high	98	Very high	47 Å²	47	25.5 Å²	25.5	18%	0.177	14%	0.137	C	C	.	.			trans	-132.8	147	178.7	-63.1	168.3	-67	154.8	14	109.7	L15 E18 T213 R215 L233 D234 S236	L15-R172 PolarHBondContact O-NH2 2.74Å; E18-R172 IonicContact OE1-CZ 3.52Å; E18-R172 IonicContact OE1-NH1 2.66Å; E18-R172 PolarHBondContact OE1-NH1 2.95Å; E18-R172 IonicContact OE2-NH1 2.77Å; R172-T213 HydrophobicContact CB-CG2 3.83Å; R172-T213 HydrophobicContact CG-CG2 4.42Å; R172-R215 HydrophobicContact CG-CG 4.23Å; R172-L233 HydrophobicContact CB-CB 4.15Å; R172-L233 HydrophobicContact CB-CD1 4.25Å; R172-L233 HydrophobicContact CB-CG 4.46Å; R172-L233 PolarHBondContact O-N 3.35Å; R172-D234 VanDerWaalsContact CB-OD2 3.3Å; R172-D234 WeakPolarHBondContact CB-OD2 3.5Å; R172-D234 WeakPolarHBondContact CG-OD2 3.48Å; R172-D234 IonicContact CZ-OD1 3.69Å; R172-D234 IonicContact CZ-OD2 3.78Å; R172-D234 PolarHBondContact N-OD2 3.18Å; R172-D234 IonicContact NE-OD1 2.65Å; R172-D234 IonicContact NE-OD2 3.66Å; R172-D234 PolarHBondContact NE-OD2 3.36Å; R172-D234 IonicContact NH2-OD1 3.06Å; R172-D234 PolarHBondContact NH2-OD1 2.92Å; R172-D234 IonicContact NH2-OD2 3.43Å; R172-D234 PolarHBondContact NH2-OD2 3.2Å; R172-S236 PolarHBondContact O-OG 3.45Å
173	K	98.4	Very high	97.9	Very high	5 Å²	5	30.9 Å²	30.9	2%	0.022	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	118.5	177.2	-172.4	-179.9	-63.5	-146.5	0	110.8	V168 W175 V214 T230 L231 N232 F238	V168-K173 HydrophobicContact CG2-CB 3.66Å; K173-W175 HydrophobicContact CD-CZ2 4.31Å; K173-V214 PolarHBondContact N-O 3.12Å; K173-V214 PolarHBondContact O-N 3.5Å; K173-T230 HydrophobicContact CD-CG2 4.26Å; K173-L231 CarbonylContact C-O 3.45Å; K173-L231 WeakPolarHBondContact CA-O 3.13Å; K173-N232 WeakPolarHBondContact CE-OD1 3.47Å; K173-F238 VanDerWaalsContact NZ-CD1 3.28Å; K173-F238 VanDerWaalsContact NZ-CZ 3.28Å
174	R	98.6	Very high	97.8	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	134.7	173	-168.6	169.3	174	-175.6	-4.8	110.1	D17 E18 G19 F176 E211 T213 T230 L231 L233	D17-R174 IonicContact OD1-NH1 3.76Å; D17-R174 IonicContact OD2-NH1 3.07Å; D17-R174 PolarHBondContact OD2-NH1 3.5Å; E18-R174 WeakPolarHBondContact O-CD 3.07Å; G19-R174 VanDerWaalsContact CA-NH2 3.29Å; R174-F176 HydrophobicContact CG-CE1 4.16Å; R174-F176 HydrophobicContact CG-CE2 4.03Å; R174-F176 HydrophobicContact CG-CZ 3.69Å; R174-F176 VanDerWaalsContact NE-CZ 3.34Å; R174-E211 IonicContact CZ-OE2 2.77Å; R174-E211 VanDerWaalsContact CZ-OE2 3.26Å; R174-E211 IonicContact NE-OE2 3.62Å; R174-E211 PolarHBondContact NE-OE2 3.31Å; R174-E211 IonicContact NH2-OE1 3.96Å; R174-E211 IonicContact NH2-OE2 2.65Å; R174-E211 PolarHBondContact NH2-OE2 3.07Å; R174-T213 WeakPolarHBondContact CB-OG1 3.18Å; R174-T230 CarbonylContact O-C 3.56Å; R174-T230 WeakPolarHBondContact O-CA 3.5Å; R174-L231 HydrophobicContact CB-CB 4.43Å; R174-L231 PolarHBondContact N-O 3.28Å; R174-L231 PolarHBondContact O-N 2.96Å; R174-L233 HydrophobicContact CB-CD1 4.39Å; R174-L233 HydrophobicContact CB-CD2 4.07Å; R174-L233 HydrophobicContact CB-CG 4.32Å
175	W	98.7	Very high	97.6	Very high	8 Å²	8	40.3 Å²	40.3	3%	0.03	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.1	177.2	-76.7	76.5	0	0	0	110.1	S166 K173 L177 E211 C212 L220 F222 H228 A229 T230	S166-W175 WeakPolarHBondContact OG-CZ2 3.34Å; K173-W175 HydrophobicContact CD-CZ2 4.31Å; W175-L177 HydrophobicContact CB-CD1 3.94Å; W175-L177 HydrophobicContact CE3-CD2 4.46Å; W175-E211 WeakPolarHBondContact O-CA 3.36Å; W175-E211 WeakPolarHBondContact O-CB 3.48Å; W175-C212 PolarHBondContact N-O 3.16Å; W175-C212 PolarHBondContact O-N 2.93Å; W175-L220 HydrophobicContact CB-CD2 3.94Å; W175-L220 HydrophobicContact CD2-CD2 3.17Å; W175-L220 HydrophobicContact CE3-CD2 3.4Å; W175-L220 VanDerWaalsContact CE3-CD2 3.4Å; W175-L220 HydrophobicContact CG-CD2 3.42Å; W175-L220 VanDerWaalsContact CG-CD2 3.42Å; W175-L220 HydrophobicContact CH2-CD2 4.4Å; W175-L220 HydrophobicContact CZ2-CD2 4.24Å; W175-L220 HydrophobicContact CZ3-CD2 4.01Å; W175-F222 HydrophobicContact CH2-CD1 4.03Å; W175-F222 AromaticContact CH2-CE1 3.87Å; W175-F222 HydrophobicContact CH2-CE1 3.87Å; W175-F222 AromaticContact CZ3-CD1 3.92Å; W175-F222 HydrophobicContact CZ3-CD1 3.92Å; W175-F222 HydrophobicContact CZ3-CE1 4.18Å; W175-H228 HydrophobicContact CE3-CB 4.04Å; W175-H228 HydrophobicContact CZ3-CB 3.94Å; W175-H228 AromaticContact CZ3-CD2 3.56Å; W175-H228 AromaticContact CZ3-CG 3.9Å; W175-A229 WeakPolarHBondContact CA-O 3.06Å; W175-T230 HydrophobicContact CD2-CG2 3.62Å; W175-T230 HydrophobicContact CE3-CG2 3.74Å; W175-T230 HydrophobicContact CG-CG2 4.34Å; W175-T230 HydrophobicContact CH2-CG2 3.71Å; W175-T230 HydrophobicContact CZ2-CG2 3.57Å; W175-T230 HydrophobicContact CZ3-CG2 3.8Å
176	F	98.7	Very high	97.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127.4	172.8	-51.7	-86	0	0	0	107.6	F158 R174 T192 W195 L196 Y200 P209 L210 E211 H228 A229 L231	F158-F176 HydrophobicContact CE1-CB 3.81Å; F158-F176 WeakPolarHBondContact CE1-O 3.44Å; F158-F176 HydrophobicContact CZ-CB 3.63Å; F158-F176 HydrophobicContact CZ-CG 4.48Å; R174-F176 HydrophobicContact CG-CE1 4.16Å; R174-F176 HydrophobicContact CG-CE2 4.03Å; R174-F176 HydrophobicContact CG-CZ 3.69Å; R174-F176 VanDerWaalsContact NE-CZ 3.34Å; F176-T192 HydrophobicContact CD2-CG2 4.12Å; F176-T192 HydrophobicContact CE2-CG2 3.95Å; F176-W195 HydrophobicContact CB-CZ3 4.48Å; F176-W195 HydrophobicContact CD1-CH2 4.22Å; F176-W195 AromaticContact CD1-CZ3 3.87Å; F176-W195 HydrophobicContact CD1-CZ3 3.87Å; F176-W195 HydrophobicContact CD2-CZ3 4.17Å; F176-W195 HydrophobicContact CE1-CZ3 4.05Å; F176-W195 HydrophobicContact CE2-CZ3 4.35Å; F176-W195 HydrophobicContact CG-CH2 4.34Å; F176-W195 AromaticContact CG-CZ3 3.91Å; F176-W195 HydrophobicContact CG-CZ3 3.91Å; F176-W195 HydrophobicContact CZ-CZ3 4.28Å; F176-L196 HydrophobicContact CE1-CD1 4.13Å; F176-L196 HydrophobicContact CZ-CD1 3.85Å; F176-L196 HydrophobicContact CZ-CD2 4.3Å; F176-Y200 HydrophobicContact CD1-CE2 4.43Å; F176-Y200 HydrophobicContact CE1-CD2 4.4Å; F176-Y200 HydrophobicContact CE1-CE2 4.18Å; F176-P209 HydrophobicContact CB-CB 4.12Å; F176-P209 HydrophobicContact CB-CG 4.32Å; F176-P209 HydrophobicContact CD1-CG 3.89Å; F176-L210 CarbonylContact C-O 3.51Å; F176-L210 WeakPolarHBondContact CA-O 3.31Å; F176-E211 HydrophobicContact CD1-CB 3.94Å; F176-E211 HydrophobicContact CE1-CB 4.4Å; F176-E211 WeakPolarHBondContact CE1-OE2 3.45Å; F176-H228 CarbonylContact O-C 3.54Å; F176-H228 WeakPolarHBondContact O-CA 3.4Å; F176-A229 HydrophobicContact CB-CB 4.43Å; F176-A229 HydrophobicContact CD2-CB 4.32Å; F176-A229 PolarHBondContact N-O 3.46Å; F176-A229 PolarHBondContact O-N 3.21Å; F176-L231 HydrophobicContact CE2-CB 4.36Å
177	L	98.8	Very high	97.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	143.8	-173.8	-52.7	98.9	0	0	0	112.4	I23 P45 W175 L210 F222 W226 W227 H228	I23-L177 HydrophobicContact CD1-CD1 3.44Å; I23-L177 VanDerWaalsContact CD1-CD1 3.44Å; I23-L177 HydrophobicContact CG1-CD1 4.4Å; P45-L177 HydrophobicContact CB-CD2 4.17Å; P45-L177 HydrophobicContact CG-CB 4.37Å; P45-L177 HydrophobicContact CG-CD2 3.76Å; W175-L177 HydrophobicContact CB-CD1 3.94Å; W175-L177 HydrophobicContact CE3-CD2 4.46Å; L177-L210 HydrophobicContact CB-CB 4.39Å; L177-L210 PolarHBondContact N-O 2.8Å; L177-L210 PolarHBondContact O-N 3.13Å; L177-F222 HydrophobicContact CD2-CB 3.89Å; L177-W226 HydrophobicContact CB-CE3 4.04Å; L177-W226 HydrophobicContact CB-CZ3 4.4Å; L177-W227 CarbonylContact C-O 3.37Å; L177-W227 WeakPolarHBondContact CA-O 3.43Å; L177-H228 HydrophobicContact CD2-CB 4.12Å; L177-H228 HydrophobicContact CG-CB 4.14Å
178	Y	98.6	Very high	96.8	Very high	7 Å²	7	49.4 Å²	49.4	3%	0.027	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.8	170.6	-64.7	-94.9	0	0	0	110.4	F158 R182 P184 E207 P209 W227	F158-Y178 HydrophobicContact CD1-CD2 4.2Å; F158-Y178 HydrophobicContact CD1-CE2 4.44Å; F158-Y178 AromaticContact CE1-CD2 3.63Å; F158-Y178 HydrophobicContact CE1-CD2 3.63Å; F158-Y178 AromaticContact CE1-CE2 3.6Å; F158-Y178 HydrophobicContact CE1-CE2 3.6Å; F158-Y178 HydrophobicContact CE2-CE2 4.47Å; F158-Y178 HydrophobicContact CZ-CD2 4.15Å; F158-Y178 AromaticContact CZ-CE2 3.62Å; F158-Y178 HydrophobicContact CZ-CE2 3.62Å; Y178-R182 VanDerWaalsContact CB-O 3.28Å; Y178-R182 WeakPolarHBondContact CB-O 3.25Å; Y178-R182 HydrophobicContact CD1-CG 4.04Å; Y178-P184 HydrophobicContact CD2-CB 3.7Å; Y178-P184 HydrophobicContact CD2-CG 4.1Å; Y178-P184 HydrophobicContact CE2-CB 3.59Å; Y178-P184 HydrophobicContact CE2-CG 4.42Å; Y178-P184 HydrophobicContact CG-CB 4.39Å; Y178-E207 VanDerWaalsContact CE1-O 3.27Å; Y178-E207 WeakPolarHBondContact CE1-O 3.37Å; Y178-E207 PolarHBondContact OH-O 2.92Å; Y178-P209 HydrophobicContact CD2-CB 4.26Å; Y178-P209 HydrophobicContact CE1-CB 4.19Å; Y178-P209 HydrophobicContact CE2-CB 3.58Å; Y178-P209 WeakPolarHBondContact OH-CD 3.3Å; Y178-W227 PolarHBondContact N-O 2.76Å; Y178-W227 PolarHBondContact O-N 2.83Å
179	P	98.2	Very high	96.4	Very high	37 Å²	37	51.9 Å²	51.9	24%	0.24	25%	0.25	C	C	.	.			trans	-63.8	158.2	173.7	30.5	-36.4	0	0	0	110.8	D181 R182 W226	P179-D181 WeakPolarHBondContact CB-OD1 3.42Å; P179-D181 WeakPolarHBondContact CG-OD1 3.48Å; P179-D181 PolarHBondContact O-N 3.2Å; P179-D181 VanDerWaalsContact O-N 3.11Å; P179-R182 HydrophobicContact CG-CB 3.9Å; P179-R182 PolarHBondContact O-N 3.05Å; P179-W226 HydrophobicContact CB-CH2 3.82Å; P179-W226 HydrophobicContact CB-CZ2 3.85Å; P179-W226 HydrophobicContact CB-CZ3 4.23Å
180	P	97.7	Very high	96.1	Very high	61 Å²	61	56.1 Å²	56.1	40%	0.396	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.7	-171.8	-25.5	34.1	0	0	0	114.9	R182 R225	P180-R182 VanDerWaalsContact C-N 3.3Å; P180-R225 HydrophobicContact CB-CB 4.15Å; P180-R225 HydrophobicContact CG-CB 4.13Å
181	D	96.4	Very high	96	Very high	145 Å²	145	52.6 Å²	52.6	78%	0.775	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-3.6	-179.3	64.1	-37.8	0	0	0	113.9	P179	P179-D181 WeakPolarHBondContact CB-OD1 3.42Å; P179-D181 WeakPolarHBondContact CG-OD1 3.48Å; P179-D181 PolarHBondContact O-N 3.2Å; P179-D181 VanDerWaalsContact O-N 3.11Å
182	R	96.5	Very high	96	Very high	85 Å²	85	51.7 Å²	51.7	32%	0.321	24%	0.242	S	C	.	.	S	Bend	trans	-121.1	85.1	-179.5	-173.2	168.9	159.7	-159.9	-18.6	110.9	Y178 P179 P180 A206 E207 A208	Y178-R182 VanDerWaalsContact CB-O 3.28Å; Y178-R182 WeakPolarHBondContact CB-O 3.25Å; Y178-R182 HydrophobicContact CD1-CG 4.04Å; P179-R182 HydrophobicContact CG-CB 3.9Å; P179-R182 PolarHBondContact O-N 3.05Å; P180-R182 VanDerWaalsContact C-N 3.3Å; R182-A206 PolarHBondContact NH1-O 3.48Å; R182-A206 PolarHBondContact NH2-O 2.65Å; R182-E207 PolarHBondContact NH2-O 3.33Å; R182-A208 PolarHBondContact NH2-O 3.27Å
183	E	95.6	Very high	95.9	Very high	142 Å²	142	50.4 Å²	50.4	66%	0.664	24%	0.238	S	C	*	.			trans	-62.7	125.7	175.4	-174.4	172.5	-174.7	0	0	110.9	W227	E183-W227 HydrophobicContact CB-CZ2 4.32Å; E183-W227 HydrophobicContact CG-CH2 4.29Å; E183-W227 HydrophobicContact CG-CZ2 3.86Å
184	P	96.2	Very high	95.8	Very high	9 Å²	9	50.6 Å²	50.6	6%	0.058	24%	0.24	C	C	.	.			trans	-73.3	153.6	177.7	26.5	-30.5	0	0	0	111.9	F158 Y178 F186 W227	F158-P184 HydrophobicContact CB-CG 3.6Å; F158-P184 HydrophobicContact CD1-CB 4.19Å; F158-P184 HydrophobicContact CD1-CG 3.67Å; F158-P184 HydrophobicContact CD2-CB 4.02Å; F158-P184 HydrophobicContact CD2-CG 3.94Å; F158-P184 HydrophobicContact CE1-CB 4.41Å; F158-P184 HydrophobicContact CE1-CG 4.34Å; F158-P184 HydrophobicContact CE2-CB 4.26Å; F158-P184 HydrophobicContact CG-CB 3.99Å; F158-P184 HydrophobicContact CG-CG 3.43Å; F158-P184 VanDerWaalsContact CG-CG 3.43Å; F158-P184 HydrophobicContact CZ-CB 4.45Å; Y178-P184 HydrophobicContact CD2-CB 3.7Å; Y178-P184 HydrophobicContact CD2-CG 4.1Å; Y178-P184 HydrophobicContact CE2-CB 3.59Å; Y178-P184 HydrophobicContact CE2-CG 4.42Å; Y178-P184 HydrophobicContact CG-CB 4.39Å; P184-F186 HydrophobicContact CB-CD1 4.32Å; P184-F186 HydrophobicContact CG-CD1 3.86Å; P184-F186 HydrophobicContact CG-CE1 4.03Å; P184-F186 VanDerWaalsContact O-CD1 3.31Å; P184-F186 WeakPolarHBondContact O-CD1 3.42Å; P184-F186 PolarHBondContact O-N 3.45Å; P184-W227 HydrophobicContact CG-CB 4.24Å; P184-W227 HydrophobicContact CG-CD2 4.29Å; P184-W227 HydrophobicContact CG-CE3 4.34Å; P184-W227 HydrophobicContact CG-CG 4.26Å
185	R	93.1	Very high	95.6	Very high	192 Å²	192	51.1 Å²	51.1	73%	0.725	24%	0.242	S	C	*	.			trans	-81.2	109.5	168.2	-177.5	-179.7	174.2	-167.7	-3.8	110	W195	R185-W195 PolarHBondContact O-NE1 2.91Å
186	F	94.9	Very high	95.5	Very high	50 Å²	50	51.7 Å²	51.7	22%	0.219	25%	0.246	C	C	.	.			trans	-154.4	172.7	175.7	74.5	-72.3	0	0	0	111.6	T82 P157 F158 P184 P188 W227	T82-F186 WeakPolarHBondContact OG1-CE2 3.39Å; P157-F186 HydrophobicContact CB-CD2 4.23Å; F158-F186 HydrophobicContact CB-CD1 3.74Å; F158-F186 HydrophobicContact CB-CD2 4.08Å; F158-F186 HydrophobicContact CB-CE1 3.69Å; F158-F186 HydrophobicContact CB-CE2 4.01Å; F158-F186 HydrophobicContact CB-CG 3.95Å; F158-F186 HydrophobicContact CB-CZ 3.83Å; F158-F186 HydrophobicContact CD2-CB 3.95Å; F158-F186 HydrophobicContact CD2-CD1 4.18Å; F158-F186 AromaticContact CD2-CG 3.98Å; F158-F186 HydrophobicContact CD2-CG 3.98Å; F158-F186 HydrophobicContact CG-CD1 4.34Å; F158-F186 HydrophobicContact CG-CG 4.45Å; F158-F186 WeakPolarHBondContact O-CE2 2.88Å; F158-F186 WeakPolarHBondContact O-CZ 3.43Å; P184-F186 HydrophobicContact CB-CD1 4.32Å; P184-F186 HydrophobicContact CG-CD1 3.86Å; P184-F186 HydrophobicContact CG-CE1 4.03Å; P184-F186 VanDerWaalsContact O-CD1 3.31Å; P184-F186 WeakPolarHBondContact O-CD1 3.42Å; P184-F186 PolarHBondContact O-N 3.45Å; F186-P188 HydrophobicContact CE2-CB 4.17Å; F186-W227 HydrophobicContact CE1-CZ3 4.2Å; F186-W227 HydrophobicContact CZ-CZ3 4.2Å
187	H	92.4	Very high	95.4	Very high	101 Å²	101	55.8 Å²	55.8	47%	0.468	27%	0.271	S	S	.	.			trans	-116.5	124.5	172.4	-175.3	-77.2	0	0	0	109.5	N189 R190	H187-N189 PolarHBondContact ND1-N 3.43Å; H187-N189 PolarHBondContact O-N 2.95Å; H187-N189 VanDerWaalsContact O-N 3.1Å; H187-R190 HydrophobicContact CB-CB 4.11Å; H187-R190 HydrophobicContact CB-CG 3.82Å; H187-R190 PolarHBondContact O-N 3.03Å
188	P	91.3	Very high	95.2	Very high	47 Å²	47	59.4 Å²	59.4	31%	0.305	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-21.1	-166.8	24	-34.6	0	0	0	115	N81 T82 F186	N81-P188 WeakPolarHBondContact CB-O 3.23Å; T82-P188 HydrophobicContact CG2-CB 4.37Å; T82-P188 PolarHBondContact N-O 3.04Å; T82-P188 WeakPolarHBondContact OG1-CA 3.18Å; T82-P188 PolarHBondContact OG1-O 2.81Å; F186-P188 HydrophobicContact CE2-CB 4.17Å
189	N	89.3	Confident	95	Very high	52 Å²	52	60.5 Å²	60.5	28%	0.278	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-5.7	175.6	-65.4	-45.3	0	0	0	114.5	N81 G109 H187	N81-N189 PolarHBondContact ND2-OD1 3.17Å; G109-N189 PolarHBondContact N-O 2.83Å; H187-N189 PolarHBondContact ND1-N 3.43Å; H187-N189 PolarHBondContact O-N 2.95Å; H187-N189 VanDerWaalsContact O-N 3.1Å
190	R	92.4	Very high	94.9	Very high	94 Å²	94	61.4 Å²	61.4	36%	0.355	30%	0.297	S	S	.	.	S	Bend	trans	-87.2	152.1	174.9	-69.9	-164.3	83	-166	3.4	109.4	P157 H187 S194 D198	P157-R190 WeakPolarHBondContact CG-O 3.24Å; H187-R190 HydrophobicContact CB-CB 4.11Å; H187-R190 HydrophobicContact CB-CG 3.82Å; H187-R190 PolarHBondContact O-N 3.03Å; R190-S194 WeakPolarHBondContact CB-OG 3.42Å; R190-D198 IonicContact CZ-OD2 3.38Å; R190-D198 IonicContact NH1-OD2 3.28Å; R190-D198 PolarHBondContact NH1-OD2 3.03Å; R190-D198 IonicContact NH2-OD2 2.66Å; R190-D198 PolarHBondContact NH2-OD2 3.06Å
191	T	95.2	Very high	94.8	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.006	31%	0.305	C	S	.	.			trans	-76.2	154.4	-178.3	62.3	0	0	0	0	111.1	Q103 A107 G109 L193 S194 W195	Q103-T191 PolarHBondContact NE2-OG1 3.03Å; A107-T191 WeakPolarHBondContact O-CG2 3.21Å; G109-T191 VanDerWaalsContact N-CG2 3.34Å; T191-L193 PolarHBondContact O-N 3.1Å; T191-S194 PolarHBondContact N-OG 3.5Å; T191-S194 PolarHBondContact O-N 2.97Å; T191-S194 VanDerWaalsContact O-N 3.12Å; T191-S194 PolarHBondContact O-OG 3.2Å; T191-S194 WeakPolarHBondContact OG1-CB 3.37Å; T191-S194 PolarHBondContact OG1-N 2.85Å; T191-S194 PolarHBondContact OG1-OG 2.97Å; T191-W195 PolarHBondContact O-N 2.93Å
192	T	96.5	Very high	94.7	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-56.3	-36.1	169.9	-48.3	0	0	0	0	111.6	V156 P157 F176 S194 W195 L196 A229 T230 L231	V156-T192 PolarHBondContact O-OG1 3.37Å; P157-T192 WeakPolarHBondContact CA-OG1 3.35Å; F176-T192 HydrophobicContact CD2-CG2 4.12Å; F176-T192 HydrophobicContact CE2-CG2 3.95Å; T192-S194 PolarHBondContact O-N 2.89Å; T192-W195 PolarHBondContact O-N 2.74Å; T192-L196 WeakPolarHBondContact O-CB 3.41Å; T192-L196 PolarHBondContact O-N 2.92Å; T192-A229 HydrophobicContact CG2-CB 4.01Å; T192-T230 VanDerWaalsContact CB-O 3.25Å; T192-T230 WeakPolarHBondContact CB-O 3.47Å; T192-T230 WeakPolarHBondContact CG2-O 3.16Å; T192-T230 PolarHBondContact OG1-O 3.09Å; T192-L231 HydrophobicContact CG2-CB 4.12Å
193	L	96.3	Very high	94.7	Very high	19 Å²	19	59.6 Å²	59.6	10%	0.099	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-46.4	175.7	-177	59.7	0	0	0	112.2	L15 T191 W195 L196 T197 L231	L15-L193 HydrophobicContact CD1-CD1 4.02Å; T191-L193 PolarHBondContact O-N 3.1Å; L193-W195 VanDerWaalsContact C-N 3.35Å; L193-L196 PolarHBondContact O-N 2.93Å; L193-T197 WeakPolarHBondContact O-CB 3.29Å; L193-T197 PolarHBondContact O-N 3.46Å; L193-T197 PolarHBondContact O-OG1 3.3Å; L193-L231 HydrophobicContact CB-CD1 4.04Å; L193-L231 HydrophobicContact CD1-CD1 4.44Å
194	S	95.6	Very high	94.7	Very high	9 Å²	9	56 Å²	56	6%	0.063	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-36.8	177.5	69.3	0	0	0	0	112	R190 T191 T192 T197 D198	R190-S194 WeakPolarHBondContact CB-OG 3.42Å; T191-S194 PolarHBondContact N-OG 3.5Å; T191-S194 PolarHBondContact O-N 2.97Å; T191-S194 VanDerWaalsContact O-N 3.12Å; T191-S194 PolarHBondContact O-OG 3.2Å; T191-S194 WeakPolarHBondContact OG1-CB 3.37Å; T191-S194 PolarHBondContact OG1-N 2.85Å; T191-S194 PolarHBondContact OG1-OG 2.97Å; T192-S194 PolarHBondContact O-N 2.89Å; S194-T197 PolarHBondContact O-N 3.35Å; S194-D198 VanDerWaalsContact O-CB 3.25Å; S194-D198 WeakPolarHBondContact O-CB 3.49Å; S194-D198 VanDerWaalsContact O-CG 3.3Å; S194-D198 PolarHBondContact O-N 3.16Å
195	W	96.4	Very high	94.5	Very high	13 Å²	13	64.5 Å²	64.5	5%	0.049	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-44.1	173.1	175.9	87.4	0	0	0	111.9	F158 F176 R185 T191 T192 L193 T197 T199 Y200 L203 P209	F158-W195 AromaticContact CE2-CD2 3.84Å; F158-W195 HydrophobicContact CE2-CD2 3.84Å; F158-W195 AromaticContact CE2-CE2 3.53Å; F158-W195 HydrophobicContact CE2-CE3 4.12Å; F158-W195 HydrophobicContact CE2-CG 4.47Å; F158-W195 AromaticContact CE2-CH2 3.8Å; F158-W195 HydrophobicContact CE2-CH2 3.8Å; F158-W195 AromaticContact CE2-CZ2 3.52Å; F158-W195 HydrophobicContact CE2-CZ2 3.52Å; F158-W195 HydrophobicContact CE2-CZ3 4.11Å; F158-W195 AromaticContact CE2-NE1 3.99Å; F158-W195 AromaticContact CZ-CH2 3.69Å; F158-W195 HydrophobicContact CZ-CH2 3.69Å; F158-W195 AromaticContact CZ-CZ2 3.78Å; F158-W195 HydrophobicContact CZ-CZ2 3.78Å; F158-W195 HydrophobicContact CZ-CZ3 4.13Å; F176-W195 HydrophobicContact CB-CZ3 4.48Å; F176-W195 HydrophobicContact CD1-CH2 4.22Å; F176-W195 AromaticContact CD1-CZ3 3.87Å; F176-W195 HydrophobicContact CD1-CZ3 3.87Å; F176-W195 HydrophobicContact CD2-CZ3 4.17Å; F176-W195 HydrophobicContact CE1-CZ3 4.05Å; F176-W195 HydrophobicContact CE2-CZ3 4.35Å; F176-W195 HydrophobicContact CG-CH2 4.34Å; F176-W195 AromaticContact CG-CZ3 3.91Å; F176-W195 HydrophobicContact CG-CZ3 3.91Å; F176-W195 HydrophobicContact CZ-CZ3 4.28Å; R185-W195 PolarHBondContact O-NE1 2.91Å; T191-W195 PolarHBondContact O-N 2.93Å; T192-W195 PolarHBondContact O-N 2.74Å; L193-W195 VanDerWaalsContact C-N 3.35Å; W195-T197 PolarHBondContact O-N 2.9Å; W195-T199 WeakPolarHBondContact O-CA 3.42Å; W195-T199 WeakPolarHBondContact O-CB 3.33Å; W195-T199 PolarHBondContact O-N 2.97Å; W195-Y200 AromaticContact CH2-CD2 3.59Å; W195-Y200 HydrophobicContact CH2-CD2 3.59Å; W195-Y200 HydrophobicContact CH2-CG 4.33Å; W195-Y200 HydrophobicContact CZ2-CD2 4.44Å; W195-Y200 AromaticContact CZ3-CD2 3.79Å; W195-Y200 HydrophobicContact CZ3-CD2 3.79Å; W195-Y200 HydrophobicContact CZ3-CG 4.28Å; W195-Y200 PolarHBondContact O-N 3.19Å; W195-L203 HydrophobicContact CH2-CD1 4.32Å; W195-L203 HydrophobicContact CZ2-CD1 3.82Å; W195-P209 HydrophobicContact CH2-CG 4.28Å
196	L	96.4	Very high	94.5	Very high	20 Å²	20	59.3 Å²	59.3	11%	0.105	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-32.4	177.2	-180	61.9	0	0	0	112.1	F176 T192 L193 Y200 P201 L231	F176-L196 HydrophobicContact CE1-CD1 4.13Å; F176-L196 HydrophobicContact CZ-CD1 3.85Å; F176-L196 HydrophobicContact CZ-CD2 4.3Å; T192-L196 WeakPolarHBondContact O-CB 3.41Å; T192-L196 PolarHBondContact O-N 2.92Å; L193-L196 PolarHBondContact O-N 2.93Å; L196-Y200 HydrophobicContact CD1-CD1 3.7Å; L196-Y200 HydrophobicContact CD1-CD2 4.27Å; L196-Y200 HydrophobicContact CD1-CE1 4.23Å; L196-Y200 HydrophobicContact CD1-CG 3.74Å; L196-P201 WeakPolarHBondContact O-CD 3.33Å; L196-L231 HydrophobicContact CD2-CD2 3.48Å; L196-L231 VanDerWaalsContact CD2-CD2 3.48Å
197	T	94.8	Very high	94.5	Very high	85 Å²	85	61.2 Å²	61.2	52%	0.521	33%	0.33	S	S	.	.	H	α-helix	trans	-85.4	-39.9	-178	-52.6	0	0	0	0	112.3	L193 S194 W195	L193-T197 WeakPolarHBondContact O-CB 3.29Å; L193-T197 PolarHBondContact O-N 3.46Å; L193-T197 PolarHBondContact O-OG1 3.3Å; S194-T197 PolarHBondContact O-N 3.35Å; W195-T197 PolarHBondContact O-N 2.9Å
198	D	94.9	Very high	94.7	Very high	77 Å²	77	58.4 Å²	58.4	41%	0.412	32%	0.324	S	S	.	.	H	α-helix	trans	-109.1	-13.8	-166	-55.5	-21.6	0	0	0	113.9	R190 S194	R190-D198 IonicContact CZ-OD2 3.38Å; R190-D198 IonicContact NH1-OD2 3.28Å; R190-D198 PolarHBondContact NH1-OD2 3.03Å; R190-D198 IonicContact NH2-OD2 2.66Å; R190-D198 PolarHBondContact NH2-OD2 3.06Å; S194-D198 VanDerWaalsContact O-CB 3.25Å; S194-D198 WeakPolarHBondContact O-CB 3.49Å; S194-D198 VanDerWaalsContact O-CG 3.3Å; S194-D198 PolarHBondContact O-N 3.16Å
199	T	95.2	Very high	95	Very high	29 Å²	29	56.5 Å²	56.5	18%	0.178	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-49.3	-175.5	-56	0	0	0	0	111.6	W195 P201 D202 L203	W195-T199 WeakPolarHBondContact O-CA 3.42Å; W195-T199 WeakPolarHBondContact O-CB 3.33Å; W195-T199 PolarHBondContact O-N 2.97Å; T199-P201 VanDerWaalsContact C-CD 3.44Å; T199-D202 PolarHBondContact O-N 2.88Å; T199-D202 VanDerWaalsContact O-N 3.16Å; T199-L203 HydrophobicContact CG2-CD2 4.31Å; T199-L203 PolarHBondContact O-N 2.93Å
200	Y	96	Very high	95.4	Very high	57 Å²	57	56.8 Å²	56.8	22%	0.224	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-53.7	-42.8	-178.1	176.7	-87.3	0	0	0	114.5	F176 W195 L196 D202 L203 P209 E211	F176-Y200 HydrophobicContact CD1-CE2 4.43Å; F176-Y200 HydrophobicContact CE1-CD2 4.4Å; F176-Y200 HydrophobicContact CE1-CE2 4.18Å; W195-Y200 AromaticContact CH2-CD2 3.59Å; W195-Y200 HydrophobicContact CH2-CD2 3.59Å; W195-Y200 HydrophobicContact CH2-CG 4.33Å; W195-Y200 HydrophobicContact CZ2-CD2 4.44Å; W195-Y200 AromaticContact CZ3-CD2 3.79Å; W195-Y200 HydrophobicContact CZ3-CD2 3.79Å; W195-Y200 HydrophobicContact CZ3-CG 4.28Å; W195-Y200 PolarHBondContact O-N 3.19Å; L196-Y200 HydrophobicContact CD1-CD1 3.7Å; L196-Y200 HydrophobicContact CD1-CD2 4.27Å; L196-Y200 HydrophobicContact CD1-CE1 4.23Å; L196-Y200 HydrophobicContact CD1-CG 3.74Å; Y200-D202 PolarHBondContact O-N 3.25Å; Y200-L203 HydrophobicContact CD2-CD1 4.26Å; Y200-L203 WeakPolarHBondContact O-CB 3.17Å; Y200-L203 PolarHBondContact O-N 3.15Å; Y200-P209 HydrophobicContact CD2-CG 4.31Å; Y200-P209 HydrophobicContact CE2-CG 3.87Å; Y200-E211 PolarHBondContact OH-OE1 3.2Å; Y200-E211 PolarHBondContact OH-OE2 2.57Å
201	P	95.2	Very high	95.7	Very high	86 Å²	86	53.1 Å²	53.1	56%	0.558	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-65.2	-22.7	-178	-22.8	36.4	0	0	0	114.1	L196 T199	L196-P201 WeakPolarHBondContact O-CD 3.33Å; T199-P201 VanDerWaalsContact C-CD 3.44Å
202	D	95.6	Very high	95.9	Very high	137 Å²	137	53.3 Å²	53.3	73%	0.733	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-100.2	3	-178.4	-63.6	-40	0	0	0	112.6	T199 Y200	T199-D202 PolarHBondContact O-N 2.88Å; T199-D202 VanDerWaalsContact O-N 3.16Å; Y200-D202 PolarHBondContact O-N 3.25Å
203	L	95	Very high	96	Very high	30 Å²	30	53.4 Å²	53.4	16%	0.157	30%	0.302	C	S	.	.			trans	-68.2	132.6	177.8	-71.3	177.6	0	0	0	110.9	W195 T199 Y200 E207	W195-L203 HydrophobicContact CH2-CD1 4.32Å; W195-L203 HydrophobicContact CZ2-CD1 3.82Å; T199-L203 HydrophobicContact CG2-CD2 4.31Å; T199-L203 PolarHBondContact O-N 2.93Å; Y200-L203 HydrophobicContact CD2-CD1 4.26Å; Y200-L203 WeakPolarHBondContact O-CB 3.17Å; Y200-L203 PolarHBondContact O-N 3.15Å; L203-E207 HydrophobicContact CD2-CB 4.4Å
204	P	95.1	Very high	96.1	Very high	67 Å²	67	52.5 Å²	52.5	44%	0.435	30%	0.298	S	S	.	.			trans	-55.4	148.2	165.6	-24.4	33.4	0	0	0	111	A206 E207 A208	P204-A206 PolarHBondContact O-N 3.41Å; P204-A206 VanDerWaalsContact O-N 3.15Å; P204-E207 HydrophobicContact CB-CB 4.32Å; P204-E207 HydrophobicContact CB-CG 4.38Å; P204-E207 HydrophobicContact CG-CB 4.46Å; P204-E207 HydrophobicContact CG-CG 4.35Å; P204-E207 CarbonylContact O-C 3.46Å; P204-E207 VanDerWaalsContact O-CA 3.31Å; P204-E207 WeakPolarHBondContact O-CA 3.35Å; P204-E207 WeakPolarHBondContact O-CB 3.46Å; P204-E207 PolarHBondContact O-N 2.86Å; P204-A208 PolarHBondContact O-N 3.31Å; P204-A208 VanDerWaalsContact O-N 3.15Å
205	Q	93.1	Very high	96.1	Very high	187 Å²	187	56.4 Å²	56.4	87%	0.874	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-56	-36.3	177.6	-175.2	-179.8	1.3	0	0	112.5	E207 A208	Q205-E207 PolarHBondContact O-N 3.02Å; Q205-A208 WeakPolarHBondContact O-CB 3.25Å; Q205-A208 PolarHBondContact O-N 3.4Å
206	A	93.8	Very high	96.2	Very high	83 Å²	83	58.6 Å²	58.6	69%	0.686	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-65.5	-20.5	175.4	0	0	0	0	0	113.2	R182 P204	R182-A206 PolarHBondContact NH1-O 3.48Å; R182-A206 PolarHBondContact NH2-O 2.65Å; P204-A206 PolarHBondContact O-N 3.41Å; P204-A206 VanDerWaalsContact O-N 3.15Å
207	E	94.7	Very high	96.1	Very high	89 Å²	89	59.4 Å²	59.4	42%	0.416	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-99.4	-2.3	178.3	-71.1	-177.3	-139.3	0	0	113.4	Y178 R182 L203 P204 Q205	Y178-E207 VanDerWaalsContact CE1-O 3.27Å; Y178-E207 WeakPolarHBondContact CE1-O 3.37Å; Y178-E207 PolarHBondContact OH-O 2.92Å; R182-E207 PolarHBondContact NH2-O 3.33Å; L203-E207 HydrophobicContact CD2-CB 4.4Å; P204-E207 HydrophobicContact CB-CB 4.32Å; P204-E207 HydrophobicContact CB-CG 4.38Å; P204-E207 HydrophobicContact CG-CB 4.46Å; P204-E207 HydrophobicContact CG-CG 4.35Å; P204-E207 CarbonylContact O-C 3.46Å; P204-E207 VanDerWaalsContact O-CA 3.31Å; P204-E207 WeakPolarHBondContact O-CA 3.35Å; P204-E207 WeakPolarHBondContact O-CB 3.46Å; P204-E207 PolarHBondContact O-N 2.86Å; Q205-E207 PolarHBondContact O-N 3.02Å
208	A	95.6	Very high	96.2	Very high	42 Å²	42	56 Å²	56	35%	0.347	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-60.1	138.5	176.2	0	0	0	0	0	112	R182 P204 Q205	R182-A208 PolarHBondContact NH2-O 3.27Å; P204-A208 PolarHBondContact O-N 3.31Å; P204-A208 VanDerWaalsContact O-N 3.15Å; Q205-A208 WeakPolarHBondContact O-CB 3.25Å; Q205-A208 PolarHBondContact O-N 3.4Å
209	P	97.8	Very high	96.4	Very high	7 Å²	7	52.3 Å²	52.3	5%	0.045	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-72.2	162	176.3	31.8	-36.1	0	0	0	111.6	F176 Y178 W195 Y200	F176-P209 HydrophobicContact CB-CB 4.12Å; F176-P209 HydrophobicContact CB-CG 4.32Å; F176-P209 HydrophobicContact CD1-CG 3.89Å; Y178-P209 HydrophobicContact CD2-CB 4.26Å; Y178-P209 HydrophobicContact CE1-CB 4.19Å; Y178-P209 HydrophobicContact CE2-CB 3.58Å; Y178-P209 WeakPolarHBondContact OH-CD 3.3Å; W195-P209 HydrophobicContact CH2-CG 4.28Å; Y200-P209 HydrophobicContact CD2-CG 4.31Å; Y200-P209 HydrophobicContact CE2-CG 3.87Å
210	L	98.5	Very high	96.6	Very high	59 Å²	59	50.9 Å²	50.9	31%	0.309	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	135	150.9	-65.9	-175.4	0	0	0	107.9	S22 I23 P45 F176 L177 W226	S22-L210 WeakPolarHBondContact OG-CA 3.31Å; I23-L210 HydrophobicContact CG1-CB 4.14Å; P45-L210 HydrophobicContact CG-CD1 4.43Å; F176-L210 CarbonylContact C-O 3.51Å; F176-L210 WeakPolarHBondContact CA-O 3.31Å; L177-L210 HydrophobicContact CB-CB 4.39Å; L177-L210 PolarHBondContact N-O 2.8Å; L177-L210 PolarHBondContact O-N 3.13Å; L210-W226 HydrophobicContact CD1-CH2 4.03Å; L210-W226 HydrophobicContact CD1-CZ3 3.81Å
211	E	98.4	Very high	96.7	Very high	17 Å²	17	48.2 Å²	48.2	8%	0.079	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	154.5	-179.7	67.2	178.6	140.4	0	0	111.9	C21 S22 R174 W175 F176 Y200	C21-E211 CarbonylContact C-O 3.59Å; C21-E211 VanDerWaalsContact CA-O 3.29Å; C21-E211 WeakPolarHBondContact CA-O 3.29Å; S22-E211 PolarHBondContact N-O 3.11Å; S22-E211 PolarHBondContact OG-N 3.24Å; S22-E211 PolarHBondContact OG-O 3.47Å; R174-E211 IonicContact CZ-OE2 2.77Å; R174-E211 VanDerWaalsContact CZ-OE2 3.26Å; R174-E211 IonicContact NE-OE2 3.62Å; R174-E211 PolarHBondContact NE-OE2 3.31Å; R174-E211 IonicContact NH2-OE1 3.96Å; R174-E211 IonicContact NH2-OE2 2.65Å; R174-E211 PolarHBondContact NH2-OE2 3.07Å; W175-E211 WeakPolarHBondContact O-CA 3.36Å; W175-E211 WeakPolarHBondContact O-CB 3.48Å; F176-E211 HydrophobicContact CD1-CB 3.94Å; F176-E211 HydrophobicContact CE1-CB 4.4Å; F176-E211 WeakPolarHBondContact CE1-OE2 3.45Å; Y200-E211 PolarHBondContact OH-OE1 3.2Å; Y200-E211 PolarHBondContact OH-OE2 2.57Å
212	C	98.6	Very high	96.9	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.034	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	154.8	164.9	-161.7	0	0	0	0	109.6	C21 I23 I47 W175	C21-C212 HydrophobicContact CB-CB 3.95Å; C21-C212 WeakPolarHBondContact CB-SG 3.2Å; C21-C212 WeakPolarHBondContact SG-CB 3.21Å; C21-C212 CovalentContact SG-SG 2.04Å; C21-C212 PolarHBondContact SG-SG 3.02Å; I23-C212 HydrophobicContact CB-CB 4.31Å; I23-C212 HydrophobicContact CD1-CB 3.8Å; I23-C212 HydrophobicContact CG1-CB 4.22Å; I47-C212 HydrophobicContact CD1-CB 3.43Å; I47-C212 VanDerWaalsContact CD1-CB 3.43Å; I47-C212 WeakPolarHBondContact CD1-SG 3.26Å; W175-C212 PolarHBondContact N-O 3.16Å; W175-C212 PolarHBondContact O-N 2.93Å
213	T	98.7	Very high	97	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.025	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.7	167.5	-68.8	0	0	0	0	110.1	E18 R172 R174 R215 L233	E18-T213 PolarHBondContact O-OG1 3.38Å; E18-T213 WeakPolarHBondContact OE2-CG2 3.38Å; R172-T213 HydrophobicContact CB-CG2 3.83Å; R172-T213 HydrophobicContact CG-CG2 4.42Å; R174-T213 WeakPolarHBondContact CB-OG1 3.18Å; T213-R215 PolarHBondContact O-NH1 3.27Å; T213-L233 HydrophobicContact CG2-CD1 3.74Å
214	V	98.4	Very high	97.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.9	176.9	-177.2	0	0	0	0	109.4	I47 V168 K173 E218 L220	I47-V214 HydrophobicContact CD1-CG2 4.35Å; V168-V214 HydrophobicContact CG2-CB 4.26Å; V168-V214 HydrophobicContact CG2-CG1 4.04Å; K173-V214 PolarHBondContact N-O 3.12Å; K173-V214 PolarHBondContact O-N 3.5Å; V214-E218 HydrophobicContact CG1-CB 4.04Å; V214-E218 WeakPolarHBondContact CG1-O 3.03Å; V214-L220 HydrophobicContact CG2-CB 3.93Å
215	R	97.1	Very high	97.3	Very high	91 Å²	91	42.9 Å²	42.9	34%	0.343	23%	0.232	S	C	.	.			trans	-115.9	169.4	-178.7	-69.3	162.7	178.3	68.3	-4.6	112.3	E18 R172 T213 G217 E218	E18-R215 IonicContact OE1-NH2 3.05Å; E18-R215 IonicContact OE2-CZ 3.2Å; E18-R215 IonicContact OE2-NH1 3.26Å; E18-R215 IonicContact OE2-NH2 2.69Å; E18-R215 PolarHBondContact OE2-NH2 3.19Å; R172-R215 HydrophobicContact CG-CG 4.23Å; T213-R215 PolarHBondContact O-NH1 3.27Å; R215-G217 PolarHBondContact O-N 3Å; R215-E218 HydrophobicContact CB-CG 4.26Å; R215-E218 WeakPolarHBondContact CB-OE2 3.43Å; R215-E218 PolarHBondContact N-OE2 3.03Å; R215-E218 WeakPolarHBondContact O-CB 3.38Å; R215-E218 PolarHBondContact O-N 3.34Å
216	P	97.1	Very high	97.5	Very high	59 Å²	59	34.9 Å²	34.9	38%	0.383	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-54.2	131.6	168.1	-25	36.6	0	0	0	112.4	V168 G171 E218	V168-P216 VanDerWaalsContact O-CA 3.23Å; V168-P216 WeakPolarHBondContact O-CA 3.34Å; G171-P216 VanDerWaalsContact O-CD 3.31Å; G171-P216 WeakPolarHBondContact O-CD 3.44Å; P216-E218 VanDerWaalsContact C-N 3.34Å
217	G	94.6	Very high	97.8	Very high	36 Å²	36	32.5 Å²	32.5	37%	0.371	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-0.5	-174.2	0	0	0	0	0	115.2	G50 R215	G50-G217 PolarHBondContact N-O 3.16Å; R215-G217 PolarHBondContact O-N 3Å
218	E	97.9	Very high	97.9	Very high	13 Å²	13	28.4 Å²	28.4	6%	0.061	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.2	173.5	-53.2	-173.3	133.1	0	0	110.8	I47 R49 V214 R215 P216	I47-E218 HydrophobicContact CG2-CB 4.07Å; R49-E218 HydrophobicContact CG-CG 4.19Å; R49-E218 IonicContact CZ-OE1 3.26Å; R49-E218 VanDerWaalsContact CZ-OE1 3.26Å; R49-E218 IonicContact NE-OE1 2.8Å; R49-E218 PolarHBondContact NE-OE1 2.59Å; R49-E218 IonicContact NH2-OE1 2.84Å; R49-E218 PolarHBondContact NH2-OE1 2.87Å; V214-E218 HydrophobicContact CG1-CB 4.04Å; V214-E218 WeakPolarHBondContact CG1-O 3.03Å; R215-E218 HydrophobicContact CB-CG 4.26Å; R215-E218 WeakPolarHBondContact CB-OE2 3.43Å; R215-E218 PolarHBondContact N-OE2 3.03Å; R215-E218 WeakPolarHBondContact O-CB 3.38Å; R215-E218 PolarHBondContact O-N 3.34Å; P216-E218 VanDerWaalsContact C-N 3.34Å
219	V	98.6	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.6	177.3	177	0	0	0	0	108.9	I47 I48 V51 T52 P134 F165 E167	I47-V219 CarbonylContact C-O 3.5Å; I47-V219 WeakPolarHBondContact CA-O 3.41Å; I48-V219 PolarHBondContact N-O 3.17Å; I48-V219 PolarHBondContact O-N 3.28Å; V51-V219 HydrophobicContact CG1-CB 4.32Å; V51-V219 HydrophobicContact CG1-CG2 3.9Å; T52-V219 HydrophobicContact CG2-CG2 4.45Å; P134-V219 HydrophobicContact CB-CG1 4.28Å; P134-V219 HydrophobicContact CG-CB 4.35Å; P134-V219 HydrophobicContact CG-CG1 3.49Å; P134-V219 VanDerWaalsContact CG-CG1 3.49Å; P134-V219 HydrophobicContact CG-CG2 4.01Å; F165-V219 HydrophobicContact CB-CG1 4Å; F165-V219 HydrophobicContact CD1-CG1 3.76Å; F165-V219 HydrophobicContact CG-CG1 4.27Å; E167-V219 HydrophobicContact CB-CG2 4.37Å; E167-V219 HydrophobicContact CG-CG2 4.19Å
220	L	98.9	Very high	98.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129.2	167.9	174.9	70.5	0	0	0	109.8	I23 P45 I47 F165 S166 W175 V214	I23-L220 HydrophobicContact CD1-CD1 3.97Å; I23-L220 HydrophobicContact CG2-CD1 4.43Å; P45-L220 HydrophobicContact CB-CD1 4.34Å; I47-L220 HydrophobicContact CG1-CB 4.49Å; I47-L220 HydrophobicContact CG1-CD1 3.87Å; F165-L220 CarbonylContact C-O 3.59Å; F165-L220 VanDerWaalsContact CA-O 3.23Å; F165-L220 WeakPolarHBondContact CA-O 3.45Å; S166-L220 PolarHBondContact N-O 2.87Å; S166-L220 PolarHBondContact O-N 2.84Å; W175-L220 HydrophobicContact CB-CD2 3.94Å; W175-L220 HydrophobicContact CD2-CD2 3.17Å; W175-L220 HydrophobicContact CE3-CD2 3.4Å; W175-L220 VanDerWaalsContact CE3-CD2 3.4Å; W175-L220 HydrophobicContact CG-CD2 3.42Å; W175-L220 VanDerWaalsContact CG-CD2 3.42Å; W175-L220 HydrophobicContact CH2-CD2 4.4Å; W175-L220 HydrophobicContact CZ2-CD2 4.24Å; W175-L220 HydrophobicContact CZ3-CD2 4.01Å; V214-L220 HydrophobicContact CG2-CB 3.93Å
221	Y	98.8	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	135.6	160.2	178	-107.6	0	0	0	110.6	F36 F40 A41 P45 V46 P163 G164 F165 P223 L243	F36-Y221 AromaticContact CE2-CD1 3.69Å; F36-Y221 HydrophobicContact CE2-CD1 3.69Å; F36-Y221 AromaticContact CE2-CD2 3.93Å; F36-Y221 HydrophobicContact CE2-CD2 3.93Å; F36-Y221 AromaticContact CE2-CE1 3.97Å; F36-Y221 HydrophobicContact CE2-CE1 3.97Å; F36-Y221 HydrophobicContact CE2-CE2 4.18Å; F36-Y221 AromaticContact CE2-CG 3.66Å; F36-Y221 HydrophobicContact CE2-CG 3.66Å; F36-Y221 HydrophobicContact CZ-CD1 4.07Å; F36-Y221 AromaticContact CZ-CD2 3.76Å; F36-Y221 HydrophobicContact CZ-CD2 3.76Å; F36-Y221 AromaticContact CZ-CE1 3.95Å; F36-Y221 HydrophobicContact CZ-CE1 3.95Å; F36-Y221 AromaticContact CZ-CE2 3.62Å; F36-Y221 HydrophobicContact CZ-CE2 3.62Å; F36-Y221 AromaticContact CZ-CG 3.98Å; F36-Y221 HydrophobicContact CZ-CG 3.98Å; F36-Y221 AromaticContact CZ-CZ 3.71Å; F40-Y221 HydrophobicContact CB-CD1 4.46Å; A41-Y221 WeakPolarHBondContact CA-OH 3.49Å; A41-Y221 PolarHBondContact O-OH 3.14Å; P45-Y221 VanDerWaalsContact CA-O 3.22Å; P45-Y221 WeakPolarHBondContact CA-O 3.34Å; P45-Y221 WeakPolarHBondContact CB-O 3.35Å; V46-Y221 HydrophobicContact CG1-CD1 4.47Å; V46-Y221 PolarHBondContact N-O 2.93Å; V46-Y221 PolarHBondContact O-N 2.96Å; P163-Y221 HydrophobicContact CB-CE2 4.19Å; P163-Y221 WeakPolarHBondContact CB-OH 3.35Å; G164-Y221 VanDerWaalsContact O-CD2 3.3Å; G164-Y221 WeakPolarHBondContact O-CD2 3.33Å; F165-Y221 AromaticContact CD1-CD2 3.75Å; F165-Y221 HydrophobicContact CD1-CD2 3.75Å; F165-Y221 HydrophobicContact CD1-CG 4.26Å; F165-Y221 AromaticContact CE1-CD2 3.36Å; F165-Y221 HydrophobicContact CE1-CD2 3.36Å; F165-Y221 HydrophobicContact CE1-CE2 4.32Å; F165-Y221 AromaticContact CE1-CG 3.85Å; F165-Y221 HydrophobicContact CE1-CG 3.85Å; F165-Y221 HydrophobicContact CE2-CD2 4.24Å; F165-Y221 HydrophobicContact CG-CD2 4.32Å; F165-Y221 AromaticContact CZ-CD2 3.6Å; F165-Y221 HydrophobicContact CZ-CD2 3.6Å; F165-Y221 HydrophobicContact CZ-CE2 4.12Å; F165-Y221 HydrophobicContact CZ-CG 4.42Å; Y221-P223 HydrophobicContact CD1-CG 4.45Å; Y221-P223 HydrophobicContact CE1-CB 4.16Å; Y221-P223 HydrophobicContact CE1-CG 3.9Å; Y221-L243 HydrophobicContact CE2-CD1 4.22Å
222	F	98.6	Very high	98	Very high	1 Å²	1	23 Å²	23	0%	0.004	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.9	168.1	56.1	-92.5	0	0	0	110.4	H161 G162 P163 G164 W175 L177 F242	H161-F222 AromaticContact CE1-CE2 3.36Å; H161-F222 WeakPolarHBondContact CE1-CE2 3.41Å; H161-F222 AromaticContact CE1-CZ 3.63Å; H161-F222 AromaticContact ND1-CE2 3.78Å; G162-F222 WeakPolarHBondContact O-CE2 3.42Å; P163-F222 WeakPolarHBondContact CA-O 3.22Å; G164-F222 VanDerWaalsContact N-CE2 3.29Å; G164-F222 PolarHBondContact N-O 3.08Å; G164-F222 VanDerWaalsContact N-O 3.07Å; G164-F222 WeakPolarHBondContact O-CD1 3.41Å; G164-F222 WeakPolarHBondContact O-CE1 3.38Å; G164-F222 PolarHBondContact O-N 3.22Å; W175-F222 HydrophobicContact CH2-CD1 4.03Å; W175-F222 AromaticContact CH2-CE1 3.87Å; W175-F222 HydrophobicContact CH2-CE1 3.87Å; W175-F222 AromaticContact CZ3-CD1 3.92Å; W175-F222 HydrophobicContact CZ3-CD1 3.92Å; W175-F222 HydrophobicContact CZ3-CE1 4.18Å; L177-F222 HydrophobicContact CD2-CB 3.89Å; F222-F242 HydrophobicContact CZ-CD1 4.39Å; F222-F242 HydrophobicContact CZ-CE1 4.19Å
223	P	98.4	Very high	98	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.013	11%	0.112	C	C	.	.			trans	-74.4	171.2	179.4	-12	25.9	0	0	0	113.6	R44 Y221 R225 W226	R44-P223 VanDerWaalsContact C-CG 3.45Å; Y221-P223 HydrophobicContact CD1-CG 4.45Å; Y221-P223 HydrophobicContact CE1-CB 4.16Å; Y221-P223 HydrophobicContact CE1-CG 3.9Å; P223-R225 PolarHBondContact O-N 3.39Å; P223-W226 VanDerWaalsContact CB-CD1 3.5Å; P223-W226 HydrophobicContact CB-CG 4.37Å; P223-W226 HydrophobicContact CG-CD2 4.49Å; P223-W226 HydrophobicContact CG-CG 4.2Å; P223-W226 PolarHBondContact O-N 3.26Å
224	D	97.7	Very high	97.9	Very high	63 Å²	63	24.2 Å²	24.2	34%	0.337	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	134.8	177.1	-169.2	43.7	0	0	0	111.5	G162 P163 W226	G162-D224 WeakPolarHBondContact CA-OD1 3.3Å; P163-D224 HydrophobicContact CG-CB 4.29Å; D224-W226 PolarHBondContact O-N 2.76Å; D224-W226 VanDerWaalsContact O-N 3.07Å
225	R	97.6	Very high	97.9	Very high	143 Å²	143	27.4 Å²	27.4	54%	0.54	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	9.9	177	-54.3	-173	178.7	-174	-3.4	116.8	W160 H161 P180 P223 W227	W160-R225 HydrophobicContact CD2-CB 4.48Å; W160-R225 HydrophobicContact CE3-CB 4.1Å; W160-R225 HydrophobicContact CE3-CG 3.78Å; W160-R225 HydrophobicContact CZ3-CG 3.89Å; H161-R225 PolarHBondContact O-N 3.03Å; P180-R225 HydrophobicContact CB-CB 4.15Å; P180-R225 HydrophobicContact CG-CB 4.13Å; P223-R225 PolarHBondContact O-N 3.39Å; R225-W227 PolarHBondContact O-N 3.19Å
226	W	98.5	Very high	97.9	Very high	19 Å²	19	23 Å²	23	7%	0.072	12%	0.123	C	C	.	.			trans	-65.3	127.4	171.6	-86.8	65.4	0	0	0	110.1	S43 R44 P45 W160 L177 P179 L210 P223 D224 H228	S43-W226 WeakPolarHBondContact O-CZ2 3.36Å; S43-W226 PolarHBondContact O-NE1 3.2Å; R44-W226 HydrophobicContact CB-CH2 4.34Å; R44-W226 HydrophobicContact CB-CZ2 4.06Å; P45-W226 VanDerWaalsContact CD-CH2 3.42Å; P45-W226 VanDerWaalsContact CD-CZ3 3.45Å; P45-W226 HydrophobicContact CG-CD2 3.98Å; P45-W226 HydrophobicContact CG-CE3 3.56Å; P45-W226 HydrophobicContact CG-CH2 4.19Å; P45-W226 HydrophobicContact CG-CZ3 3.67Å; W160-W226 WeakPolarHBondContact CB-O 3.39Å; L177-W226 HydrophobicContact CB-CE3 4.04Å; L177-W226 HydrophobicContact CB-CZ3 4.4Å; P179-W226 HydrophobicContact CB-CH2 3.82Å; P179-W226 HydrophobicContact CB-CZ2 3.85Å; P179-W226 HydrophobicContact CB-CZ3 4.23Å; L210-W226 HydrophobicContact CD1-CH2 4.03Å; L210-W226 HydrophobicContact CD1-CZ3 3.81Å; P223-W226 VanDerWaalsContact CB-CD1 3.5Å; P223-W226 HydrophobicContact CB-CG 4.37Å; P223-W226 HydrophobicContact CG-CD2 4.49Å; P223-W226 HydrophobicContact CG-CG 4.2Å; P223-W226 PolarHBondContact O-N 3.26Å; D224-W226 PolarHBondContact O-N 2.76Å; D224-W226 VanDerWaalsContact O-N 3.07Å; W226-H228 PolarHBondContact O-N 2.98Å; W226-H228 PolarHBondContact O-ND1 3.19Å
227	W	98.6	Very high	98	Very high	33 Å²	33	20.8 Å²	20.8	13%	0.125	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	131.3	171.1	-70.1	100.7	0	0	0	108.5	F158 H159 W160 L177 Y178 E183 P184 F186 R225	F158-W227 HydrophobicContact CB-CE3 4.3Å; F158-W227 HydrophobicContact CD1-CB 4.46Å; H159-W227 CarbonylContact O-C 3.56Å; H159-W227 WeakPolarHBondContact O-CA 3.27Å; W160-W227 AromaticContact CD1-CD2 3.89Å; W160-W227 AromaticContact CD1-CE2 3.82Å; W160-W227 AromaticContact CD1-CE3 3.79Å; W160-W227 AromaticContact CD1-CH2 3.62Å; W160-W227 AromaticContact CD1-CZ2 3.69Å; W160-W227 AromaticContact CD1-CZ3 3.67Å; W160-W227 AromaticContact NE1-CH2 3.87Å; W160-W227 AromaticContact NE1-CZ2 3.92Å; L177-W227 CarbonylContact C-O 3.37Å; L177-W227 WeakPolarHBondContact CA-O 3.43Å; Y178-W227 PolarHBondContact N-O 2.76Å; Y178-W227 PolarHBondContact O-N 2.83Å; E183-W227 HydrophobicContact CB-CZ2 4.32Å; E183-W227 HydrophobicContact CG-CH2 4.29Å; E183-W227 HydrophobicContact CG-CZ2 3.86Å; P184-W227 HydrophobicContact CG-CB 4.24Å; P184-W227 HydrophobicContact CG-CD2 4.29Å; P184-W227 HydrophobicContact CG-CE3 4.34Å; P184-W227 HydrophobicContact CG-CG 4.26Å; F186-W227 HydrophobicContact CE1-CZ3 4.2Å; F186-W227 HydrophobicContact CZ-CZ3 4.2Å; R225-W227 PolarHBondContact O-N 3.19Å
228	H	98.6	Very high	98.1	Very high	3 Å²	3	19.2 Å²	19.2	1%	0.014	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	139.3	177	55	-84.3	0	0	0	112.5	F158 H159 H161 W175 F176 L177 W226	F158-H228 WeakPolarHBondContact CA-O 3.28Å; H159-H228 AromaticContact CD2-NE2 3.86Å; H159-H228 AromaticContact CE1-CD2 3.57Å; H159-H228 AromaticContact CE1-NE2 3.48Å; H159-H228 PolarHBondContact CE1-NE2 2.69Å; H159-H228 PolarHBondContact N-O 3.3Å; H159-H228 VanDerWaalsContact N-O 3.15Å; H159-H228 PolarHBondContact ND1-O 3.1Å; H159-H228 AromaticContact NE2-CD2 3.89Å; H159-H228 AromaticContact NE2-NE2 3.31Å; H159-H228 PolarHBondContact NE2-NE2 3.09Å; H159-H228 PolarHBondContact O-N 2.98Å; H159-H228 PolarHBondContact O-ND1 3.31Å; H161-H228 AromaticContact CE1-CE1 3.43Å; H161-H228 PolarHBondContact CE1-CE1 3Å; H161-H228 VanDerWaalsContact CE1-CE1 3.43Å; H161-H228 AromaticContact CE1-NE2 3.46Å; H161-H228 PolarHBondContact CE1-NE2 3.11Å; H161-H228 AromaticContact ND1-CE1 3.92Å; H161-H228 AromaticContact NE2-CE1 3.58Å; H161-H228 AromaticContact NE2-NE2 3.27Å; H161-H228 PolarHBondContact NE2-NE2 3.25Å; W175-H228 HydrophobicContact CE3-CB 4.04Å; W175-H228 HydrophobicContact CZ3-CB 3.94Å; W175-H228 AromaticContact CZ3-CD2 3.56Å; W175-H228 AromaticContact CZ3-CG 3.9Å; F176-H228 CarbonylContact O-C 3.54Å; F176-H228 WeakPolarHBondContact O-CA 3.4Å; L177-H228 HydrophobicContact CD2-CB 4.12Å; L177-H228 HydrophobicContact CG-CB 4.14Å; W226-H228 PolarHBondContact O-N 2.98Å; W226-H228 PolarHBondContact O-ND1 3.19Å
229	A	98.4	Very high	98.1	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.008	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151	167.3	0	0	0	0	0	109.6	V156 F158 W175 F176 T192	V156-A229 CarbonylContact O-C 3.56Å; V156-A229 VanDerWaalsContact O-CA 3.29Å; V156-A229 WeakPolarHBondContact O-CA 2.99Å; F158-A229 HydrophobicContact CD1-CB 3.66Å; F158-A229 HydrophobicContact CD2-CB 3.84Å; F158-A229 HydrophobicContact CE1-CB 3.64Å; F158-A229 HydrophobicContact CE2-CB 3.8Å; F158-A229 HydrophobicContact CG-CB 3.76Å; F158-A229 HydrophobicContact CZ-CB 3.7Å; W175-A229 WeakPolarHBondContact CA-O 3.06Å; F176-A229 HydrophobicContact CB-CB 4.43Å; F176-A229 HydrophobicContact CD2-CB 4.32Å; F176-A229 PolarHBondContact N-O 3.46Å; F176-A229 PolarHBondContact O-N 3.21Å; T192-A229 HydrophobicContact CG2-CB 4.01Å
230	T	97.8	Very high	98	Very high	9 Å²	9	18.9 Å²	18.9	6%	0.055	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.3	-179.2	57.1	0	0	0	0	111.3	G155 V156 K173 R174 W175 T192	G155-T230 CarbonylContact C-O 3.58Å; G155-T230 VanDerWaalsContact CA-O 3.3Å; G155-T230 WeakPolarHBondContact CA-O 3.4Å; V156-T230 PolarHBondContact N-O 2.98Å; V156-T230 PolarHBondContact N-OG1 2.83Å; V156-T230 PolarHBondContact O-N 3.06Å; K173-T230 HydrophobicContact CD-CG2 4.26Å; R174-T230 CarbonylContact O-C 3.56Å; R174-T230 WeakPolarHBondContact O-CA 3.5Å; W175-T230 HydrophobicContact CD2-CG2 3.62Å; W175-T230 HydrophobicContact CE3-CG2 3.74Å; W175-T230 HydrophobicContact CG-CG2 4.34Å; W175-T230 HydrophobicContact CH2-CG2 3.71Å; W175-T230 HydrophobicContact CZ2-CG2 3.57Å; W175-T230 HydrophobicContact CZ3-CG2 3.8Å; T192-T230 VanDerWaalsContact CB-O 3.25Å; T192-T230 WeakPolarHBondContact CB-O 3.47Å; T192-T230 WeakPolarHBondContact CG2-O 3.16Å; T192-T230 PolarHBondContact OG1-O 3.09Å
231	L	98	Very high	97.9	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	118.4	174.3	-175.8	69.8	0	0	0	109.7	L15 G153 K173 R174 F176 T192 L193 L196 L233	L15-L231 HydrophobicContact CD1-CD1 4.45Å; L15-L231 HydrophobicContact CD1-CD2 3.89Å; L15-L231 HydrophobicContact CD1-CG 4.23Å; G153-L231 WeakPolarHBondContact O-CD1 3.4Å; K173-L231 CarbonylContact C-O 3.45Å; K173-L231 WeakPolarHBondContact CA-O 3.13Å; R174-L231 HydrophobicContact CB-CB 4.43Å; R174-L231 PolarHBondContact N-O 3.28Å; R174-L231 PolarHBondContact O-N 2.96Å; F176-L231 HydrophobicContact CE2-CB 4.36Å; T192-L231 HydrophobicContact CG2-CB 4.12Å; L193-L231 HydrophobicContact CB-CD1 4.04Å; L193-L231 HydrophobicContact CD1-CD1 4.44Å; L196-L231 HydrophobicContact CD2-CD2 3.48Å; L196-L231 VanDerWaalsContact CD2-CD2 3.48Å; L231-L233 HydrophobicContact CD2-CD2 3.88Å; L231-L233 HydrophobicContact CG-CD2 4.12Å; L231-L233 PolarHBondContact O-N 3.03Å
232	N	98.2	Very high	97.8	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	118.1	171	-59.5	-68.1	0	0	0	108.4	A150 P152 G153 T154 K173	A150-N232 VanDerWaalsContact CB-ND2 3.25Å; A150-N232 WeakPolarHBondContact CB-ND2 3.31Å; P152-N232 CarbonylContact C-O 3.55Å; G153-N232 PolarHBondContact N-O 2.86Å; T154-N232 PolarHBondContact O-N 2.66Å; T154-N232 PolarHBondContact O-ND2 3.32Å; T154-N232 PolarHBondContact OG1-ND2 2.87Å; K173-N232 WeakPolarHBondContact CE-OD1 3.47Å
233	L	97.9	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-81.7	-28.7	177.9	-53.6	-175.6	0	0	0	110.8	G14 L15 E18 R172 R174 T213 L231	G14-L233 CarbonylContact C-O 3.55Å; G14-L233 WeakPolarHBondContact CA-O 3.31Å; L15-L233 HydrophobicContact CB-CB 4.29Å; L15-L233 HydrophobicContact CB-CD2 4.09Å; L15-L233 HydrophobicContact CD1-CD2 4.09Å; L15-L233 PolarHBondContact N-O 3.13Å; E18-L233 HydrophobicContact CB-CD1 4.29Å; E18-L233 HydrophobicContact CG-CD1 4.01Å; R172-L233 HydrophobicContact CB-CB 4.15Å; R172-L233 HydrophobicContact CB-CD1 4.25Å; R172-L233 HydrophobicContact CB-CG 4.46Å; R172-L233 PolarHBondContact O-N 3.35Å; R174-L233 HydrophobicContact CB-CD1 4.39Å; R174-L233 HydrophobicContact CB-CD2 4.07Å; R174-L233 HydrophobicContact CB-CG 4.32Å; T213-L233 HydrophobicContact CG2-CD1 3.74Å; L231-L233 HydrophobicContact CD2-CD2 3.88Å; L231-L233 HydrophobicContact CG-CD2 4.12Å; L231-L233 PolarHBondContact O-N 3.03Å
234	D	97.5	Very high	97.1	Very high	34 Å²	34	25.6 Å²	25.6	18%	0.182	14%	0.143	C	C	.	.	S	Bend	trans	-121.3	-179.3	176.3	-49.7	-64.1	0	0	0	110.7	R172 S236	R172-D234 VanDerWaalsContact CB-OD2 3.3Å; R172-D234 WeakPolarHBondContact CB-OD2 3.5Å; R172-D234 WeakPolarHBondContact CG-OD2 3.48Å; R172-D234 IonicContact CZ-OD1 3.69Å; R172-D234 IonicContact CZ-OD2 3.78Å; R172-D234 PolarHBondContact N-OD2 3.18Å; R172-D234 IonicContact NE-OD1 2.65Å; R172-D234 IonicContact NE-OD2 3.66Å; R172-D234 PolarHBondContact NE-OD2 3.36Å; R172-D234 IonicContact NH2-OD1 3.06Å; R172-D234 PolarHBondContact NH2-OD1 2.92Å; R172-D234 IonicContact NH2-OD2 3.43Å; R172-D234 PolarHBondContact NH2-OD2 3.2Å; D234-S236 PolarHBondContact O-N 2.93Å; D234-S236 VanDerWaalsContact O-N 3.15Å; D234-S236 PolarHBondContact O-OG 3.4Å
235	T	97.3	Very high	97.1	Very high	66 Å²	66	23.8 Å²	23.8	41%	0.405	13%	0.133	S	C	.	.	S	Bend	trans	-63.4	114.1	157.9	-62.1	0	0	0	0	107.3	L100 A150 P152	L100-T235 HydrophobicContact CD1-CG2 4.17Å; L100-T235 HydrophobicContact CD2-CG2 3.84Å; L100-T235 HydrophobicContact CG-CG2 4.02Å; A150-T235 CarbonylContact O-C 3.57Å; A150-T235 WeakPolarHBondContact O-CA 3.49Å; P152-T235 WeakPolarHBondContact CD-OG1 3.08Å
236	S	97.6	Very high	97	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.5	-168.7	-65.7	0	0	0	0	111.5	I149 A150 Y170 R172 D234	I149-S236 CarbonylContact C-O 3.56Å; I149-S236 VanDerWaalsContact CA-O 3.3Å; I149-S236 WeakPolarHBondContact CA-O 3.48Å; A150-S236 PolarHBondContact N-O 3.22Å; A150-S236 PolarHBondContact O-N 3.15Å; Y170-S236 WeakPolarHBondContact O-CA 3.21Å; Y170-S236 WeakPolarHBondContact O-CB 3.4Å; R172-S236 PolarHBondContact O-OG 3.45Å; D234-S236 PolarHBondContact O-N 2.93Å; D234-S236 VanDerWaalsContact O-N 3.15Å; D234-S236 PolarHBondContact O-OG 3.4Å
237	V	98.1	Very high	97	Very high	11 Å²	11	17.4 Å²	17.4	7%	0.067	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.4	163.1	-178.3	0	0	0	0	106.5	C61 F147 G148 I149 I169 Y170	C61-V237 HydrophobicContact CB-CG1 4.09Å; F147-V237 HydrophobicContact CD2-CG1 4.49Å; F147-V237 HydrophobicContact CE2-CG1 3.39Å; F147-V237 HydrophobicContact CZ-CG1 3.48Å; F147-V237 VanDerWaalsContact CZ-CG1 3.48Å; G148-V237 WeakPolarHBondContact O-CA 3.32Å; I149-V237 HydrophobicContact CD1-CG2 4.46Å; I149-V237 HydrophobicContact CG1-CG1 4.41Å; I149-V237 HydrophobicContact CG1-CG2 4.21Å; I149-V237 HydrophobicContact CG2-CG2 4.33Å; I169-V237 WeakPolarHBondContact CA-O 3.25Å; I169-V237 HydrophobicContact CB-CB 4.3Å; I169-V237 HydrophobicContact CB-CG1 4.2Å; I169-V237 PolarHBondContact N-O 2.79Å; Y170-V237 HydrophobicContact CD2-CB 4.12Å; Y170-V237 HydrophobicContact CD2-CG2 4.08Å; Y170-V237 PolarHBondContact N-O 3.47Å; Y170-V237 VanDerWaalsContact N-O 3.12Å; Y170-V237 PolarHBondContact O-N 3.34Å
238	F	97.7	Very high	96.9	Very high	3 Å²	3	16.5 Å²	16.5	1%	0.013	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	162.2	-173.4	59.4	-90.3	0	0	0	111.1	Y114 F116 G148 A150 E167 K173	Y114-F238 HydrophobicContact CE2-CZ 4.24Å; F116-F238 HydrophobicContact CB-CZ 4.35Å; F116-F238 HydrophobicContact CD2-CD2 4.38Å; F116-F238 AromaticContact CD2-CE2 3.34Å; F116-F238 HydrophobicContact CD2-CE2 3.34Å; F116-F238 AromaticContact CD2-CZ 3.89Å; F116-F238 HydrophobicContact CD2-CZ 3.89Å; F116-F238 HydrophobicContact CE2-CD2 4.47Å; F116-F238 AromaticContact CE2-CE2 3.66Å; F116-F238 HydrophobicContact CE2-CE2 3.66Å; F116-F238 HydrophobicContact CG-CE2 4.19Å; F116-F238 HydrophobicContact CG-CZ 4.35Å; G148-F238 PolarHBondContact N-O 3.15Å; G148-F238 PolarHBondContact O-N 3.27Å; A150-F238 HydrophobicContact CB-CE1 3.83Å; E167-F238 WeakPolarHBondContact O-CA 3.37Å; E167-F238 WeakPolarHBondContact O-CB 3.29Å; K173-F238 VanDerWaalsContact NZ-CD1 3.28Å; K173-F238 VanDerWaalsContact NZ-CZ 3.28Å
239	I	97.5	Very high	96.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	138.3	177.1	-172.3	161	0	0	0	110	F57 L128 Y131 Y145 S146 E167 I169	F57-I239 HydrophobicContact CE1-CG2 4.36Å; F57-I239 HydrophobicContact CZ-CD1 4.14Å; L128-I239 HydrophobicContact CD2-CD1 4.01Å; Y131-I239 HydrophobicContact CD1-CD1 3.68Å; Y131-I239 HydrophobicContact CD1-CG1 4.41Å; Y131-I239 HydrophobicContact CD1-CG2 4.48Å; Y131-I239 HydrophobicContact CD2-CD1 4.26Å; Y131-I239 HydrophobicContact CD2-CG2 3.83Å; Y131-I239 HydrophobicContact CE1-CD1 4.08Å; Y131-I239 HydrophobicContact CE1-CG1 4.31Å; Y131-I239 HydrophobicContact CE1-CG2 4.04Å; Y131-I239 HydrophobicContact CE2-CG2 3.31Å; Y131-I239 HydrophobicContact CG-CD1 3.77Å; Y131-I239 HydrophobicContact CG-CG2 4.38Å; Y131-I239 VanDerWaalsContact CZ-CG2 3.43Å; Y145-I239 HydrophobicContact CG-CD1 4.37Å; S146-I239 CarbonylContact O-C 3.53Å; S146-I239 WeakPolarHBondContact O-CA 3.43Å; E167-I239 HydrophobicContact CB-CG2 4.28Å; E167-I239 PolarHBondContact N-O 2.93Å; E167-I239 PolarHBondContact O-N 3.31Å; I169-I239 HydrophobicContact CD1-CG2 4.22Å; I169-I239 HydrophobicContact CG1-CG2 4.42Å
240	S	96.9	Very high	96.7	Very high	6 Å²	6	18.4 Å²	18.4	4%	0.042	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.2	173.6	-60.8	0	0	0	0	109.7	Y145 S146 F165	Y145-S240 CarbonylContact C-O 3.57Å; Y145-S240 WeakPolarHBondContact CA-O 3.32Å; S146-S240 PolarHBondContact N-O 2.9Å; S146-S240 PolarHBondContact O-N 2.96Å; F165-S240 CarbonylContact O-C 3.6Å; F165-S240 WeakPolarHBondContact O-CA 3.48Å
241	T	97	Very high	96.6	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	104.4	171.2	-55.8	0	0	0	0	108.1	A143 A144 Y145 G164 F165 L243	A143-T241 HydrophobicContact CB-CG2 3.71Å; A144-T241 CarbonylContact O-C 3.53Å; A144-T241 WeakPolarHBondContact O-CA 3.48Å; Y145-T241 HydrophobicContact CD1-CG2 4.08Å; Y145-T241 HydrophobicContact CE1-CG2 3.87Å; G164-T241 CarbonylContact C-O 3.51Å; G164-T241 WeakPolarHBondContact CA-O 3.34Å; F165-T241 PolarHBondContact N-O 3.39Å; F165-T241 PolarHBondContact O-N 3.27Å; T241-L243 HydrophobicContact CG2-CD2 4.22Å
242	F	96	Very high	96.5	Very high	51 Å²	51	20.5 Å²	20.5	22%	0.224	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	135.4	176.3	-61.9	-64.6	0	0	0	110.3	F116 A143 A144 H161 F222	F116-F242 HydrophobicContact CZ-CZ 4.15Å; A143-F242 CarbonylContact C-O 3.59Å; A143-F242 WeakPolarHBondContact CA-O 3.48Å; A144-F242 PolarHBondContact N-O 2.8Å; A144-F242 PolarHBondContact O-N 3.27Å; H161-F242 AromaticContact CE1-CD1 3.91Å; H161-F242 AromaticContact CE1-CE1 3.36Å; H161-F242 WeakPolarHBondContact CE1-CE1 3.43Å; H161-F242 AromaticContact NE2-CE1 3.52Å; F222-F242 HydrophobicContact CZ-CD1 4.39Å; F222-F242 HydrophobicContact CZ-CE1 4.19Å
243	L	96.2	Very high	96.3	Very high	10 Å²	10	22.1 Å²	22.1	5%	0.052	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	87.5	-178.8	-54.4	176.6	0	0	0	108.7	L138 R141 S142 A143 P163 F165 Y221 T241	L138-L243 HydrophobicContact CD1-CB 4.15Å; L138-L243 HydrophobicContact CD1-CD1 3.76Å; L138-L243 HydrophobicContact CG-CD1 3.79Å; R141-L243 WeakPolarHBondContact CD-O 3.49Å; R141-L243 PolarHBondContact NH1-O 3.19Å; S142-L243 CarbonylContact O-C 3.58Å; S142-L243 WeakPolarHBondContact O-CA 3.31Å; A143-L243 HydrophobicContact CB-CD2 4.42Å; P163-L243 HydrophobicContact CG-CB 4.18Å; P163-L243 PolarHBondContact O-N 3.38Å; F165-L243 HydrophobicContact CD2-CD1 4.19Å; F165-L243 HydrophobicContact CE2-CD1 3.65Å; F165-L243 HydrophobicContact CE2-CD2 4.38Å; F165-L243 HydrophobicContact CE2-CG 4.4Å; F165-L243 HydrophobicContact CZ-CD1 4.41Å; Y221-L243 HydrophobicContact CE2-CD1 4.22Å; T241-L243 HydrophobicContact CG2-CD2 4.22Å
244	G	86.3	Confident	96.2	Very high	81 Å²	81	24.1 Å²	24.1	84%	0.835	17%	0.167	S	C	*	.			trans	-91.8	0	-176.6	0	0	0	0	0	113.2	R141 S142	R141-G244 CarbonylContact C-O 3.55Å; R141-G244 WeakPolarHBondContact CA-O 3.46Å; S142-G244 PolarHBondContact N-O 3.2Å; S142-G244 PolarHBondContact O-N 3.16Å; S142-G244 PolarHBondContact OG-O 2.73Å; S142-G244 VanDerWaalsContact OG-O 3.13Å

Retrieved 244 of 244 residues in 368.2 ms (Link to these results)

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