A0A077ZMU8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZMU8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 214 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	25.4	Very low	245 Å²	245	186 Å²	186	100%	1.207	88%	0.877	S	S	*	*				0	88.3	0	-71.3	178.5	179.5	0	0	106.1	Q3	M1-Q3 PolarHBondContact O-N 2.78Å
2	E	32.4	Very low	25.1	Very low	194 Å²	194	176.4 Å²	176.4	91%	0.907	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-76.8	117.7	170.3	-79.7	175.5	146.9	0	0	106.8	E4	E2-E4 PolarHBondContact O-N 2.93Å
3	Q	24.7	Very low	25	Very low	193 Å²	193	172.5 Å²	172.5	90%	0.902	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-69.3	116.1	171.6	-85.3	176.8	-16.8	0	0	107.6	M1	M1-Q3 PolarHBondContact O-N 2.78Å
4	E	23.4	Very low	24.7	Very low	182 Å²	182	170.6 Å²	170.6	85%	0.85	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-59.1	137.9	170	-78.1	-173.3	150	0	0	109.8	E2	E2-E4 PolarHBondContact O-N 2.93Å
5	P	26.1	Very low	24.4	Very low	108 Å²	108	175.4 Å²	175.4	70%	0.701	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-61.5	143.3	176.7	24.6	-31.8	0	0	0	110.2
6	P	24	Very low	24.5	Very low	117 Å²	117	170.4 Å²	170.4	76%	0.76	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-58.1	139	-176.2	21.8	-31.2	0	0	0	111	Y8	P6-Y8 PolarHBondContact O-N 2.76Å
7	P	22.7	Very low	24.6	Very low	122 Å²	122	164.9 Å²	164.9	79%	0.792	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-62	133	-177.3	22.8	-31.6	0	0	0	110.7	R9	P7-R9 PolarHBondContact O-N 3.02Å
8	Y	23.8	Very low	24.8	Very low	235 Å²	235	161.6 Å²	161.6	92%	0.922	79%	0.794	S	S	*	*			trans	-42.4	110	175	-79.7	-91.9	0	0	0	110.9	P6 R10	P6-Y8 PolarHBondContact O-N 2.76Å; Y8-R10 PolarHBondContact O-N 3.13Å
9	R	21.3	Very low	25	Very low	228 Å²	228	159.6 Å²	159.6	86%	0.86	79%	0.787	S	S	*	*			trans	-63.9	108.5	165.5	-85.2	-171.9	-172	179.6	3.4	107	P7 H11	P7-R9 PolarHBondContact O-N 3.02Å; R9-H11 PolarHBondContact O-N 3.3Å
10	R	21.6	Very low	25	Very low	242 Å²	242	155.8 Å²	155.8	91%	0.913	77%	0.77	S	S	*	*			trans	-56.1	108.3	156.4	-78.1	-176.9	178.3	-178.4	-0.6	106	Y8 S12	Y8-R10 PolarHBondContact O-N 3.13Å; R10-S12 PolarHBondContact O-N 2.91Å
11	H	24.3	Very low	25.2	Very low	180 Å²	180	150.9 Å²	150.9	83%	0.833	75%	0.749	S	S	*	*			trans	-60.6	106.7	165.3	-79.3	-86.2	0	0	0	106.4	R9	R9-H11 PolarHBondContact O-N 3.3Å
12	S	21.6	Very low	24.8	Very low	71 Å²	71	142.1 Å²	142.1	50%	0.497	71%	0.706	S	S	.	*			trans	-57.3	145.1	164.1	52.8	0	0	0	0	107.1	R10 E14	R10-S12 PolarHBondContact O-N 2.91Å; S12-E14 PolarHBondContact O-N 3.46Å; S12-E14 VanDerWaalsContact OG-CD 3.28Å; S12-E14 PolarHBondContact OG-OE1 3.44Å
13	S	23.7	Very low	24.6	Very low	126 Å²	126	138.6 Å²	138.6	88%	0.881	69%	0.686	S	S	*	*			trans	-67.6	37	-179.8	54.2	0	0	0	0	113.3	W15	S13-W15 PolarHBondContact O-N 3.41Å
14	E	20.5	Very low	24.7	Very low	145 Å²	145	130.1 Å²	130.1	68%	0.678	65%	0.649	S	S	*	*			trans	-80	102.8	179.5	-76.7	169.6	-139.1	0	0	108.8	S12	S12-E14 PolarHBondContact O-N 3.46Å; S12-E14 VanDerWaalsContact OG-CD 3.28Å; S12-E14 PolarHBondContact OG-OE1 3.44Å
15	W	21.4	Very low	24.7	Very low	243 Å²	243	128.6 Å²	128.6	92%	0.92	65%	0.645	S	S	*	*			trans	49.4	77.2	157.7	-66.7	83.4	0	0	0	115	S13 N17	S13-W15 PolarHBondContact O-N 3.41Å; W15-N17 PolarHBondContact O-N 2.61Å; W15-N17 VanDerWaalsContact O-N 3.13Å
16	V	24.8	Very low	24.7	Very low	95 Å²	95	125 Å²	125	58%	0.576	62%	0.623	S	S	*	*			trans	-64.1	112	166.2	-175.3	0	0	0	0	107.7	D20 I22	V16-D20 HydrophobicContact CG1-CB 4.44Å; V16-I22 HydrophobicContact CG1-CG1 4.15Å
17	N	27.3	Very low	24.9	Very low	78 Å²	78	122.6 Å²	122.6	42%	0.417	62%	0.619	S	S	.	*			trans	-60.3	132.2	167.8	-167.7	-23.4	0	0	0	107	W15 N19 D20	W15-N17 PolarHBondContact O-N 2.61Å; W15-N17 VanDerWaalsContact O-N 3.13Å; N17-N19 PolarHBondContact O-N 2.8Å; N17-N19 PolarHBondContact OD1-N 3.18Å; N17-D20 HydrophobicContact CB-CB 4.2Å; N17-D20 WeakPolarHBondContact CB-OD2 3.45Å; N17-D20 PolarHBondContact N-OD2 3.18Å; N17-D20 WeakPolarHBondContact O-CB 3.32Å; N17-D20 PolarHBondContact O-N 2.68Å
18	P	28.4	Very low	25.2	Very low	105 Å²	105	118.6 Å²	118.6	68%	0.682	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-11.5	176.2	19.9	-31.1	0	0	0	113.9	N35	P18-N35 PolarHBondContact O-ND2 2.76Å
19	N	27.1	Very low	25.6	Very low	124 Å²	124	107.8 Å²	107.8	66%	0.663	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-8.2	170.4	-65.9	-35	0	0	0	114.4	N17	N17-N19 PolarHBondContact O-N 2.8Å; N17-N19 PolarHBondContact OD1-N 3.18Å
20	D	24.7	Very low	26.1	Very low	83 Å²	83	99.2 Å²	99.2	44%	0.444	52%	0.524	S	S	.	.	S	Bend	trans	-80.1	122.2	176.9	-72.8	-24.2	0	0	0	109.5	V16 N17 I22	V16-D20 HydrophobicContact CG1-CB 4.44Å; N17-D20 HydrophobicContact CB-CB 4.2Å; N17-D20 WeakPolarHBondContact CB-OD2 3.45Å; N17-D20 PolarHBondContact N-OD2 3.18Å; N17-D20 WeakPolarHBondContact O-CB 3.32Å; N17-D20 PolarHBondContact O-N 2.68Å; D20-I22 PolarHBondContact O-N 3.25Å; D20-I22 VanDerWaalsContact O-N 3.09Å
21	T	30.5	Very low	26.7	Very low	52 Å²	52	87.9 Å²	87.9	32%	0.319	48%	0.481	S	S	.	.			trans	-50.2	114.8	169.9	-53.7	0	0	0	0	109.7	Y23	T21-Y23 HydrophobicContact CG2-CE1 4.44Å; T21-Y23 HydrophobicContact CG2-CE2 4.15Å; T21-Y23 WeakPolarHBondContact O-CD2 3.32Å; T21-Y23 PolarHBondContact O-N 2.76Å
22	I	26.7	Very low	27.3	Very low	61 Å²	61	80.3 Å²	80.3	31%	0.313	45%	0.445	S	S	.	.			trans	-78.2	105.5	176.9	-58.7	172.1	0	0	0	108.2	V16 D20 A24 I147	V16-I22 HydrophobicContact CG1-CG1 4.15Å; D20-I22 PolarHBondContact O-N 3.25Å; D20-I22 VanDerWaalsContact O-N 3.09Å; I22-A24 PolarHBondContact O-N 3.45Å; I22-I147 HydrophobicContact CB-CG2 4.24Å; I22-I147 HydrophobicContact CD1-CG2 3.46Å; I22-I147 VanDerWaalsContact CD1-CG2 3.46Å; I22-I147 HydrophobicContact CG1-CG2 4.44Å; I22-I147 HydrophobicContact CG2-CG2 4.05Å
23	Y	28.5	Very low	28	Very low	121 Å²	121	78.5 Å²	78.5	48%	0.475	43%	0.43	S	S	.	.			trans	-80.9	97.9	165.5	-62.3	-85.1	0	0	0	108.7	T21 L25 W32	T21-Y23 HydrophobicContact CG2-CE1 4.44Å; T21-Y23 HydrophobicContact CG2-CE2 4.15Å; T21-Y23 WeakPolarHBondContact O-CD2 3.32Å; T21-Y23 PolarHBondContact O-N 2.76Å; Y23-L25 PolarHBondContact O-N 2.95Å; Y23-W32 AromaticContact CD1-CD1 3.78Å; Y23-W32 AromaticContact CD1-NE1 3.72Å; Y23-W32 AromaticContact CE1-CD1 3.86Å; Y23-W32 AromaticContact CE1-NE1 3.68Å
24	A	26.7	Very low	28.4	Very low	15 Å²	15	75.6 Å²	75.6	12%	0.124	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	94.3	165.1	0	0	0	0	0	108.8	I22 S26 V145	I22-A24 PolarHBondContact O-N 3.45Å; A24-S26 PolarHBondContact O-N 3.36Å; A24-V145 HydrophobicContact CB-CG1 3.96Å
25	L	23.9	Very low	28.8	Very low	150 Å²	150	72.7 Å²	72.7	79%	0.785	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	86.2	160.3	-74	169.9	0	0	0	107.5	Y23 V30	Y23-L25 PolarHBondContact O-N 2.95Å; L25-V30 HydrophobicContact CD2-CG2 4.43Å
26	S	24.7	Very low	28.9	Very low	32 Å²	32	64.4 Å²	64.4	22%	0.224	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	105.1	171.5	167.3	0	0	0	0	108.1	A24 Y29 V145	A24-S26 PolarHBondContact O-N 3.36Å; S26-Y29 WeakPolarHBondContact O-CB 3.07Å; S26-Y29 WeakPolarHBondContact O-CD2 3.27Å; S26-Y29 PolarHBondContact O-N 3.38Å; S26-V145 WeakPolarHBondContact OG-CG2 3.3Å
27	G	28.8	Very low	29	Very low	67 Å²	67	62.8 Å²	62.8	69%	0.691	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-144.2	174.8	0	0	0	0	0	113.6	Y29	G27-Y29 PolarHBondContact O-N 3.35Å
28	P	28.8	Very low	29	Very low	37 Å²	37	63.1 Å²	63.1	24%	0.24	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	16.3	-177.6	41.8	-48.6	0	0	0	113.2	Q137 V140	P28-Q137 HydrophobicContact CB-CB 4.44Å; P28-V140 HydrophobicContact CB-CB 4.34Å; P28-V140 HydrophobicContact CB-CG2 3.84Å; P28-V140 HydrophobicContact CG-CB 3.46Å; P28-V140 VanDerWaalsContact CG-CB 3.46Å; P28-V140 HydrophobicContact CG-CG1 3.5Å; P28-V140 HydrophobicContact CG-CG2 3.51Å
29	Y	31.9	Very low	29.1	Very low	9 Å²	9	65.5 Å²	65.5	4%	0.035	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.7	-173.4	-56.8	-86.6	0	0	0	109.8	S26 G27 V135 Q136 V140 V142	S26-Y29 WeakPolarHBondContact O-CB 3.07Å; S26-Y29 WeakPolarHBondContact O-CD2 3.27Å; S26-Y29 PolarHBondContact O-N 3.38Å; G27-Y29 PolarHBondContact O-N 3.35Å; Y29-V135 WeakPolarHBondContact CA-O 3.43Å; Y29-V135 WeakPolarHBondContact CD1-O 3.49Å; Y29-Q136 HydrophobicContact CD1-CB 3.96Å; Y29-Q136 HydrophobicContact CD1-CG 4.34Å; Y29-Q136 HydrophobicContact CE1-CB 3.59Å; Y29-Q136 HydrophobicContact CE1-CG 3.48Å; Y29-Q136 VanDerWaalsContact CE1-CG 3.48Å; Y29-Q136 PolarHBondContact OH-NE2 3.49Å; Y29-V140 HydrophobicContact CE2-CG1 4.31Å; Y29-V140 PolarHBondContact OH-O 3.35Å; Y29-V142 HydrophobicContact CE1-CG2 4.23Å; Y29-V142 HydrophobicContact CE2-CG2 3.66Å; Y29-V142 WeakPolarHBondContact OH-CG2 3.36Å
30	V	32.4	Very low	29.1	Very low	47 Å²	47	62 Å²	62	29%	0.285	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.9	163.2	-177.2	0	0	0	0	106.3	L25 W32 V135	L25-V30 HydrophobicContact CD2-CG2 4.43Å; V30-W32 HydrophobicContact CG1-CD2 4.23Å; V30-W32 VanDerWaalsContact CG1-CE2 3.49Å; V30-W32 HydrophobicContact CG1-CG 4.4Å; V30-W32 HydrophobicContact CG1-CZ2 3.9Å; V30-V135 PolarHBondContact O-N 3.13Å; V30-V135 VanDerWaalsContact O-N 3.07Å
31	I	35.1	Very low	29.3	Very low	5 Å²	5	58.9 Å²	58.9	3%	0.026	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.2	178.1	-51.9	178.9	0	0	0	107.1	I33 L132 I133 L154	I31-I33 HydrophobicContact CG2-CG1 4.31Å; I31-L132 HydrophobicContact CG2-CD1 3.72Å; I31-I133 WeakPolarHBondContact CA-O 3.31Å; I31-L154 HydrophobicContact CD1-CD1 3.16Å; I31-L154 HydrophobicContact CD1-CD2 3.36Å; I31-L154 HydrophobicContact CD1-CG 3.75Å
32	W	36.7	Very low	29.1	Very low	21 Å²	21	66 Å²	66	8%	0.08	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.8	173.5	-60	-33.1	0	0	0	109.5	Y23 V30 F34 W51 I61 A65 I133	Y23-W32 AromaticContact CD1-CD1 3.78Å; Y23-W32 AromaticContact CD1-NE1 3.72Å; Y23-W32 AromaticContact CE1-CD1 3.86Å; Y23-W32 AromaticContact CE1-NE1 3.68Å; V30-W32 HydrophobicContact CG1-CD2 4.23Å; V30-W32 VanDerWaalsContact CG1-CE2 3.49Å; V30-W32 HydrophobicContact CG1-CG 4.4Å; V30-W32 HydrophobicContact CG1-CZ2 3.9Å; W32-F34 HydrophobicContact CB-CD2 4.45Å; W32-F34 HydrophobicContact CB-CE2 3.66Å; W32-F34 HydrophobicContact CB-CZ 3.89Å; W32-F34 HydrophobicContact CE3-CE2 4.48Å; W32-F34 HydrophobicContact CE3-CZ 4.29Å; W32-F34 HydrophobicContact CG-CZ 4.41Å; W32-W51 AromaticContact CH2-CZ3 3.89Å; W32-W51 HydrophobicContact CH2-CZ3 3.89Å; W32-W51 HydrophobicContact CZ3-CH2 4.47Å; W32-W51 AromaticContact CZ3-CZ3 3.64Å; W32-W51 HydrophobicContact CZ3-CZ3 3.64Å; W32-I61 HydrophobicContact CH2-CG2 3.57Å; W32-I61 HydrophobicContact CZ2-CG2 3.5Å; W32-A65 HydrophobicContact CH2-CB 4.45Å; W32-A65 HydrophobicContact CZ2-CB 4.14Å; W32-I133 HydrophobicContact CB-CB 4.36Å; W32-I133 HydrophobicContact CE3-CD1 4.32Å; W32-I133 HydrophobicContact CE3-CG2 4.42Å; W32-I133 PolarHBondContact N-O 3.06Å; W32-I133 PolarHBondContact O-N 3.45Å
33	I	34.6	Very low	29.4	Very low	33 Å²	33	68.7 Å²	68.7	17%	0.169	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117	175.1	-56.2	178.9	0	0	0	106.5	I31 L132 I147	I31-I33 HydrophobicContact CG2-CG1 4.31Å; I33-L132 HydrophobicContact CD1-CD1 4.28Å; I33-L132 HydrophobicContact CG1-CD1 3.77Å; I33-I147 HydrophobicContact CD1-CD1 3.79Å; I33-I147 HydrophobicContact CD1-CG2 4.32Å
34	F	33.6	Very low	29.5	Very low	65 Å²	65	68.5 Å²	68.5	29%	0.285	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.6	176	-57.4	-86.6	0	0	0	108.8	W32 V131 I133	W32-F34 HydrophobicContact CB-CD2 4.45Å; W32-F34 HydrophobicContact CB-CE2 3.66Å; W32-F34 HydrophobicContact CB-CZ 3.89Å; W32-F34 HydrophobicContact CE3-CE2 4.48Å; W32-F34 HydrophobicContact CE3-CZ 4.29Å; W32-F34 HydrophobicContact CG-CZ 4.41Å; F34-V131 HydrophobicContact CD2-CB 4.39Å; F34-V131 PolarHBondContact N-O 3.23Å; F34-V131 PolarHBondContact O-N 3Å; F34-I133 HydrophobicContact CD2-CD1 4.5Å; F34-I133 HydrophobicContact CE2-CD1 3.76Å; F34-I133 HydrophobicContact CE2-CG1 4.15Å
35	N	27.1	Very low	29.6	Very low	83 Å²	83	68.4 Å²	68.4	44%	0.444	38%	0.381	S	S	.	.			trans	-82.4	128.3	167.4	-79.3	-12.4	0	0	0	109.3	P18	P18-N35 PolarHBondContact O-ND2 2.76Å
36	A	25.6	Very low	29.8	Very low	69 Å²	69	68 Å²	68	57%	0.57	37%	0.37	S	S	*	.			trans	47.3	93.6	166.3	0	0	0	0	0	116	P38	A36-P38 VanDerWaalsContact O-CD 3.27Å; A36-P38 WeakPolarHBondContact O-CD 2.85Å
37	L	26.4	Very low	30.1	Very low	61 Å²	61	70.1 Å²	70.1	32%	0.319	38%	0.379	S	S	.	.			trans	-86.5	109.1	170.2	-77.3	-175.4	0	0	0	109.6	I41 L73 V131	L37-I41 HydrophobicContact CB-CB 4.26Å; L37-I41 HydrophobicContact CB-CD1 3.24Å; L37-I41 HydrophobicContact CB-CG1 4.09Å; L37-I41 HydrophobicContact CB-CG2 3.86Å; L37-I41 HydrophobicContact CD1-CD1 4.05Å; L37-I41 HydrophobicContact CD1-CG2 4.25Å; L37-I41 HydrophobicContact CD2-CD1 3.34Å; L37-I41 HydrophobicContact CG-CD1 3.64Å; L37-L73 HydrophobicContact CD1-CD1 3.59Å; L37-L73 HydrophobicContact CD1-CG 4.39Å; L37-V131 HydrophobicContact CD1-CG2 4.28Å
38	P	26.2	Very low	30.2	Very low	85 Å²	85	69.4 Å²	69.4	55%	0.552	36%	0.358	S	S	*	.			trans	-59	150.9	-171	16.7	-30.5	0	0	0	114.6	A36 S40 I41	A36-P38 VanDerWaalsContact O-CD 3.27Å; A36-P38 WeakPolarHBondContact O-CD 2.85Å; P38-S40 PolarHBondContact O-N 3.31Å; P38-I41 HydrophobicContact CG-CD1 4.48Å; P38-I41 HydrophobicContact CG-CG1 4.49Å; P38-I41 WeakPolarHBondContact O-CB 3.09Å; P38-I41 WeakPolarHBondContact O-CG1 2.95Å; P38-I41 PolarHBondContact O-N 3.43Å
39	D	31.9	Very low	30.1	Very low	155 Å²	155	70 Å²	70	83%	0.829	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-39.7	-32.5	-175.2	-71.6	-36.1	0	0	0	117.4	I41 R42	D39-I41 PolarHBondContact O-N 2.93Å; D39-R42 PolarHBondContact O-N 3.32Å; D39-R42 VanDerWaalsContact O-N 3.13Å
40	S	26.1	Very low	29.9	Very low	52 Å²	52	75 Å²	75	36%	0.364	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-54	-14.2	171.8	71.4	0	0	0	0	114.5	P38 R42 R72	P38-S40 PolarHBondContact O-N 3.31Å; S40-R42 VanDerWaalsContact C-N 3.34Å; S40-R72 WeakPolarHBondContact O-CB 3.06Å; S40-R72 VanDerWaalsContact O-CD 3.32Å; S40-R72 WeakPolarHBondContact O-CD 3.07Å; S40-R72 VanDerWaalsContact O-CG 3.32Å; S40-R72 WeakPolarHBondContact O-CG 3.1Å; S40-R72 PolarHBondContact OG-NE 3.3Å
41	I	28.2	Very low	29.8	Very low	16 Å²	16	76.4 Å²	76.4	8%	0.082	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-67.6	-34.3	-179.7	-70.3	-151.5	0	0	0	109.4	L37 P38 D39 N43 V71 R72 L73 G74	L37-I41 HydrophobicContact CB-CB 4.26Å; L37-I41 HydrophobicContact CB-CD1 3.24Å; L37-I41 HydrophobicContact CB-CG1 4.09Å; L37-I41 HydrophobicContact CB-CG2 3.86Å; L37-I41 HydrophobicContact CD1-CD1 4.05Å; L37-I41 HydrophobicContact CD1-CG2 4.25Å; L37-I41 HydrophobicContact CD2-CD1 3.34Å; L37-I41 HydrophobicContact CG-CD1 3.64Å; P38-I41 HydrophobicContact CG-CD1 4.48Å; P38-I41 HydrophobicContact CG-CG1 4.49Å; P38-I41 WeakPolarHBondContact O-CB 3.09Å; P38-I41 WeakPolarHBondContact O-CG1 2.95Å; P38-I41 PolarHBondContact O-N 3.43Å; D39-I41 PolarHBondContact O-N 2.93Å; I41-N43 PolarHBondContact O-N 3.47Å; I41-V71 WeakPolarHBondContact CD1-O 3.3Å; I41-R72 HydrophobicContact CB-CB 4.34Å; I41-R72 HydrophobicContact CB-CG 4.48Å; I41-R72 HydrophobicContact CG1-CB 4.04Å; I41-R72 HydrophobicContact CG1-CG 3.75Å; I41-R72 CarbonylContact O-C 3.51Å; I41-R72 VanDerWaalsContact O-O 3.06Å; I41-L73 VanDerWaalsContact C-C 3.42Å; I41-L73 CarbonylContact C-O 3.3Å; I41-L73 HydrophobicContact CG2-CB 3.39Å; I41-L73 HydrophobicContact CG2-CD1 3.71Å; I41-L73 HydrophobicContact CG2-CG 3.72Å; I41-L73 CarbonylContact O-C 3.43Å; I41-L73 WeakPolarHBondContact O-CA 3.37Å; I41-L73 PolarHBondContact O-N 3.19Å; I41-G74 PolarHBondContact O-N 3.31Å
42	R	28.3	Very low	29.7	Very low	202 Å²	202	78.1 Å²	78.1	76%	0.762	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-43.5	-3.4	-173.9	-156.7	177.2	-91.4	-169.7	-1.4	120.8	D39 S40 L73 G74	D39-R42 PolarHBondContact O-N 3.32Å; D39-R42 VanDerWaalsContact O-N 3.13Å; S40-R42 VanDerWaalsContact C-N 3.34Å; R42-L73 VanDerWaalsContact C-C 3.47Å; R42-L73 CarbonylContact C-O 3.53Å; R42-L73 WeakPolarHBondContact CA-O 3.35Å; R42-L73 PolarHBondContact N-O 2.76Å; R42-G74 WeakPolarHBondContact O-CA 3.45Å
43	N	32.4	Very low	29.1	Very low	118 Å²	118	81.8 Å²	81.8	63%	0.631	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-128.3	0.8	-170.8	-70.9	-31.6	0	0	0	121.4	I41 L73 G74	I41-N43 PolarHBondContact O-N 3.47Å; N43-L73 PolarHBondContact N-O 3.38Å; N43-G74 CarbonylContact C-O 3.24Å; N43-G74 VanDerWaalsContact C-O 3.24Å
44	H	29.2	Very low	28.8	Very low	117 Å²	117	84.2 Å²	84.2	54%	0.542	43%	0.43	S	S	.	.			trans	-132.8	86.6	177.1	-53.9	0.7	0	0	0	116.6	R72 G74	H44-R72 CarbonylContact C-O 2.98Å; H44-R72 VanDerWaalsContact C-O 3.3Å; H44-R72 WeakPolarHBondContact CA-O 3.44Å; H44-R72 WeakPolarHBondContact CB-O 3.37Å; H44-R72 PolarHBondContact N-O 2.94Å; H44-G74 CarbonylContact C-O 3.55Å; H44-G74 PolarHBondContact N-O 3.06Å
45	C	29.7	Very low	28.6	Very low	12 Å²	12	84.8 Å²	84.8	8%	0.081	43%	0.431	C	S	.	.			trans	-101.7	31.8	160.3	-41.7	0	0	0	0	114.9	G74 Y75	C45-G74 PolarHBondContact N-O 3.09Å; C45-G74 PolarHBondContact SG-N 3.04Å; C45-G74 VanDerWaalsContact SG-N 3.44Å; C45-Y75 PolarHBondContact SG-N 3.13Å
46	Y	29	Very low	28.6	Very low	143 Å²	143	82.1 Å²	82.1	56%	0.561	42%	0.418	S	S	*	.	S	Bend	trans	-76.7	-31.8	173.2	-112.3	-84.1	0	0	0	113.1	Y75	Y46-Y75 HydrophobicContact CD2-CD2 4.13Å; Y46-Y75 AromaticContact CD2-CE2 4Å; Y46-Y75 HydrophobicContact CD2-CE2 4Å; Y46-Y75 HydrophobicContact CE2-CE2 4.26Å
47	D	30.4	Very low	28.9	Very low	75 Å²	75	82 Å²	82	40%	0.401	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-12	-168.8	-65.7	-24.3	0	0	0	115.8	Q49 Q50 W51	D47-Q49 PolarHBondContact O-N 2.59Å; D47-Q50 WeakPolarHBondContact O-CB 3.22Å; D47-Q50 PolarHBondContact O-N 2.85Å; D47-W51 PolarHBondContact O-N 3.49Å
48	I	31.4	Very low	29.1	Very low	52 Å²	52	83 Å²	83	27%	0.267	43%	0.43	S	S	.	.	H	α-helix	trans	-64.2	-26.8	175.3	-64.7	175.2	0	0	0	111	W51 T52 L73	I48-W51 PolarHBondContact O-N 3.01Å; I48-T52 PolarHBondContact O-N 3.22Å; I48-T52 PolarHBondContact O-OG1 2.94Å; I48-L73 HydrophobicContact CD1-CD2 4.25Å
49	Q	26	Very low	29.2	Very low	50 Å²	50	82.3 Å²	82.3	23%	0.234	43%	0.432	C	S	.	.	H	α-helix	trans	-65.6	-39.3	170.8	-80.9	-176.2	-38.7	0	0	112.7	D47 W51 T52 V53 Q82	D47-Q49 PolarHBondContact O-N 2.59Å; Q49-W51 VanDerWaalsContact C-N 3.27Å; Q49-W51 PolarHBondContact O-N 2.77Å; Q49-T52 WeakPolarHBondContact CA-OG1 3.19Å; Q49-T52 PolarHBondContact O-N 2.63Å; Q49-T52 PolarHBondContact O-OG1 3.14Å; Q49-V53 VanDerWaalsContact O-CG2 3.29Å; Q49-V53 WeakPolarHBondContact O-CG2 3.34Å; Q49-V53 PolarHBondContact O-N 2.93Å; Q49-Q82 VanDerWaalsContact CD-OE1 3.22Å
50	Q	28.6	Very low	29.3	Very low	113 Å²	113	78.9 Å²	78.9	53%	0.528	41%	0.411	S	S	.	.	H	α-helix	trans	-64.4	-36.6	177.6	-147.6	81.9	25.9	0	0	110.8	D47 T52 V53 D54	D47-Q50 WeakPolarHBondContact O-CB 3.22Å; D47-Q50 PolarHBondContact O-N 2.85Å; Q50-T52 VanDerWaalsContact C-N 3.34Å; Q50-T52 PolarHBondContact O-N 3.19Å; Q50-V53 PolarHBondContact O-N 3.19Å; Q50-D54 PolarHBondContact O-N 3.47Å
51	W	30	Very low	29.6	Very low	78 Å²	78	79.2 Å²	79.2	30%	0.295	41%	0.408	S	S	.	.	H	α-helix	trans	-66.2	-32.9	174.8	-74.7	48.6	0	0	0	113.2	W32 D47 I48 Q49 V53 Y68	W32-W51 AromaticContact CH2-CZ3 3.89Å; W32-W51 HydrophobicContact CH2-CZ3 3.89Å; W32-W51 HydrophobicContact CZ3-CH2 4.47Å; W32-W51 AromaticContact CZ3-CZ3 3.64Å; W32-W51 HydrophobicContact CZ3-CZ3 3.64Å; D47-W51 PolarHBondContact O-N 3.49Å; I48-W51 PolarHBondContact O-N 3.01Å; Q49-W51 VanDerWaalsContact C-N 3.27Å; Q49-W51 PolarHBondContact O-N 2.77Å; W51-V53 VanDerWaalsContact C-N 3.33Å; W51-Y68 HydrophobicContact CH2-CD2 4.47Å; W51-Y68 HydrophobicContact CH2-CG 4.44Å; W51-Y68 AromaticContact CZ2-CD1 3.91Å; W51-Y68 HydrophobicContact CZ2-CD1 3.91Å; W51-Y68 AromaticContact CZ2-CD2 3.54Å; W51-Y68 HydrophobicContact CZ2-CD2 3.54Å; W51-Y68 HydrophobicContact CZ2-CE1 4.28Å; W51-Y68 AromaticContact CZ2-CE2 3.91Å; W51-Y68 HydrophobicContact CZ2-CE2 3.91Å; W51-Y68 AromaticContact CZ2-CG 3.55Å; W51-Y68 HydrophobicContact CZ2-CG 3.55Å; W51-Y68 AromaticContact NE1-CE1 3.8Å; W51-Y68 AromaticContact NE1-CE2 3.9Å; W51-Y68 AromaticContact NE1-CZ 3.59Å
52	T	31.4	Very low	29.9	Very low	40 Å²	40	84.5 Å²	84.5	25%	0.245	43%	0.432	C	S	.	.	H	α-helix	trans	-72.5	-30.7	176.8	-1.8	0	0	0	0	111.5	I48 Q49 Q50 W55 F101 K103	I48-T52 PolarHBondContact O-N 3.22Å; I48-T52 PolarHBondContact O-OG1 2.94Å; Q49-T52 WeakPolarHBondContact CA-OG1 3.19Å; Q49-T52 PolarHBondContact O-N 2.63Å; Q49-T52 PolarHBondContact O-OG1 3.14Å; Q50-T52 VanDerWaalsContact C-N 3.34Å; Q50-T52 PolarHBondContact O-N 3.19Å; T52-W55 PolarHBondContact O-NE1 3.05Å; T52-F101 HydrophobicContact CG2-CB 4.42Å; T52-F101 HydrophobicContact CG2-CD1 4.09Å; T52-F101 HydrophobicContact CG2-CG 4.41Å; T52-K103 PolarHBondContact O-NZ 3Å
53	V	25.4	Very low	30.1	Very low	99 Å²	99	81.6 Å²	81.6	60%	0.6	43%	0.427	S	S	*	.	H	α-helix	trans	-81.1	-50.6	-178.5	-178.3	0	0	0	0	111.6	Q49 Q50 W51 W55 K103	Q49-V53 VanDerWaalsContact O-CG2 3.29Å; Q49-V53 WeakPolarHBondContact O-CG2 3.34Å; Q49-V53 PolarHBondContact O-N 2.93Å; Q50-V53 PolarHBondContact O-N 3.19Å; W51-V53 VanDerWaalsContact C-N 3.33Å; V53-W55 PolarHBondContact O-N 3.48Å; V53-K103 PolarHBondContact O-NZ 2.78Å
54	D	28.2	Very low	30.2	Very low	83 Å²	83	79.7 Å²	79.7	44%	0.444	41%	0.413	S	S	.	.			trans	-99.2	80.2	-171.7	-63.8	-28.7	0	0	0	111.8	Q50 C56	Q50-D54 PolarHBondContact O-N 3.47Å; D54-C56 VanDerWaalsContact C-N 3.32Å; D54-C56 PolarHBondContact O-N 3.13Å
55	W	29.5	Very low	30.3	Very low	78 Å²	78	75 Å²	75	30%	0.295	40%	0.395	S	S	.	.			trans	-72.7	88.7	173.1	-80.5	37.4	0	0	0	109.7	T52 V53 K103 I105 W118 V135	T52-W55 PolarHBondContact O-NE1 3.05Å; V53-W55 PolarHBondContact O-N 3.48Å; W55-K103 HydrophobicContact CD2-CD 3.75Å; W55-K103 VanDerWaalsContact CE2-CD 3.4Å; W55-K103 HydrophobicContact CG-CD 3.83Å; W55-K103 VanDerWaalsContact CG-NZ 3.27Å; W55-K103 HydrophobicContact CZ2-CB 4.13Å; W55-K103 HydrophobicContact CZ2-CD 4.05Å; W55-K103 VanDerWaalsContact NE1-CD 3.25Å; W55-I105 HydrophobicContact CD2-CD1 4.18Å; W55-I105 HydrophobicContact CE3-CD1 3.7Å; W55-I105 HydrophobicContact CZ3-CD1 4.23Å; W55-W118 HydrophobicContact CE3-CG 4.4Å; W55-W118 HydrophobicContact CH2-CB 3.23Å; W55-W118 AromaticContact CH2-CD2 3.77Å; W55-W118 HydrophobicContact CH2-CD2 3.77Å; W55-W118 HydrophobicContact CH2-CE3 4.1Å; W55-W118 AromaticContact CH2-CG 3.4Å; W55-W118 HydrophobicContact CH2-CG 3.4Å; W55-W118 HydrophobicContact CZ2-CB 4.06Å; W55-W118 HydrophobicContact CZ3-CB 3.73Å; W55-W118 AromaticContact CZ3-CD1 3.58Å; W55-W118 AromaticContact CZ3-CD2 3.44Å; W55-W118 HydrophobicContact CZ3-CD2 3.44Å; W55-W118 VanDerWaalsContact CZ3-CD2 3.44Å; W55-W118 AromaticContact CZ3-CE2 3.83Å; W55-W118 AromaticContact CZ3-CE3 3.98Å; W55-W118 HydrophobicContact CZ3-CE3 3.98Å; W55-W118 AromaticContact CZ3-CG 3.3Å; W55-W118 HydrophobicContact CZ3-CG 3.3Å; W55-W118 AromaticContact CZ3-NE1 3.86Å; W55-V135 HydrophobicContact CH2-CG1 4.33Å
56	C	26.7	Very low	30.3	Very low	27 Å²	27	79.7 Å²	79.7	18%	0.182	42%	0.418	C	S	.	.			trans	-73.2	158.1	172.3	-73.4	0	0	0	0	111.3	D54 E60 I61 K64	D54-C56 VanDerWaalsContact C-N 3.32Å; D54-C56 PolarHBondContact O-N 3.13Å; C56-E60 WeakPolarHBondContact CA-OE2 3.4Å; C56-E60 HydrophobicContact CB-CB 3.4Å; C56-E60 VanDerWaalsContact CB-CB 3.4Å; C56-E60 HydrophobicContact CB-CG 4.14Å; C56-E60 WeakPolarHBondContact CB-OE2 3.25Å; C56-I61 VanDerWaalsContact O-CD1 3.31Å; C56-I61 WeakPolarHBondContact O-CD1 3.39Å; C56-I61 WeakPolarHBondContact O-CG1 3.37Å; C56-K64 PolarHBondContact SG-NZ 2.69Å
57	S	31.3	Very low	30.2	Very low	65 Å²	65	76.2 Å²	76.2	46%	0.455	42%	0.419	S	S	.	.			trans	-56.5	157.8	176.6	62.1	0	0	0	0	112.1	A59 E60 I61	S57-A59 PolarHBondContact O-N 3.24Å; S57-E60 PolarHBondContact N-OE2 3.12Å; S57-E60 PolarHBondContact O-N 3.4Å; S57-E60 PolarHBondContact OG-OE2 3.32Å; S57-I61 WeakPolarHBondContact O-CG1 3.25Å; S57-I61 PolarHBondContact O-N 3.06Å
58	A	31.2	Very low	30.2	Very low	83 Å²	83	76.4 Å²	76.4	69%	0.686	42%	0.415	S	S	*	.	H	α-helix	trans	-50.3	-32.9	-179	0	0	0	0	0	113.8	I61 E62	A58-I61 PolarHBondContact O-N 3.24Å; A58-E62 PolarHBondContact O-N 3.41Å; A58-E62 VanDerWaalsContact O-N 3.09Å
59	A	29.1	Very low	29.9	Very low	70 Å²	70	83.9 Å²	83.9	58%	0.579	44%	0.44	S	S	*	.	H	α-helix	trans	-69.9	-42.6	176.5	0	0	0	0	0	113.3	S57 I61 E62 E63	S57-A59 PolarHBondContact O-N 3.24Å; A59-I61 VanDerWaalsContact C-N 3.31Å; A59-E62 PolarHBondContact O-N 3.41Å; A59-E63 PolarHBondContact O-N 3.01Å
60	E	33	Very low	29.9	Very low	84 Å²	84	88.9 Å²	88.9	39%	0.393	46%	0.463	S	S	.	.	H	α-helix	trans	-71.8	-28.2	175.1	-74.4	169.3	120.2	0	0	111.9	C56 S57 E62 K64	C56-E60 WeakPolarHBondContact CA-OE2 3.4Å; C56-E60 HydrophobicContact CB-CB 3.4Å; C56-E60 VanDerWaalsContact CB-CB 3.4Å; C56-E60 HydrophobicContact CB-CG 4.14Å; C56-E60 WeakPolarHBondContact CB-OE2 3.25Å; S57-E60 PolarHBondContact N-OE2 3.12Å; S57-E60 PolarHBondContact O-N 3.4Å; S57-E60 PolarHBondContact OG-OE2 3.32Å; E60-E62 VanDerWaalsContact C-N 3.35Å; E60-K64 VanDerWaalsContact O-CB 3.27Å; E60-K64 WeakPolarHBondContact O-CB 3.34Å; E60-K64 VanDerWaalsContact O-CG 3.27Å; E60-K64 WeakPolarHBondContact O-CG 3.18Å; E60-K64 PolarHBondContact O-N 3.26Å
61	I	33.6	Very low	29.6	Very low	59 Å²	59	86.4 Å²	86.4	30%	0.303	46%	0.455	S	S	.	.	H	α-helix	trans	-64.1	-42.7	170.9	-70	173.4	0	0	0	110	W32 C56 S57 A58 A59 A65	W32-I61 HydrophobicContact CH2-CG2 3.57Å; W32-I61 HydrophobicContact CZ2-CG2 3.5Å; C56-I61 VanDerWaalsContact O-CD1 3.31Å; C56-I61 WeakPolarHBondContact O-CD1 3.39Å; C56-I61 WeakPolarHBondContact O-CG1 3.37Å; S57-I61 WeakPolarHBondContact O-CG1 3.25Å; S57-I61 PolarHBondContact O-N 3.06Å; A58-I61 PolarHBondContact O-N 3.24Å; A59-I61 VanDerWaalsContact C-N 3.31Å; I61-A65 WeakPolarHBondContact O-CB 3.16Å; I61-A65 PolarHBondContact O-N 3.35Å
62	E	32.8	Very low	29.5	Very low	126 Å²	126	89 Å²	89	59%	0.589	47%	0.465	S	S	*	.	H	α-helix	trans	-67	-44.7	177.2	-168.1	172.2	-170.3	0	0	111.6	A58 A59 E60 K64 A65 L66	A58-E62 PolarHBondContact O-N 3.41Å; A58-E62 VanDerWaalsContact O-N 3.09Å; A59-E62 PolarHBondContact O-N 3.41Å; E60-E62 VanDerWaalsContact C-N 3.35Å; E62-K64 PolarHBondContact O-N 2.83Å; E62-A65 PolarHBondContact O-N 2.81Å; E62-L66 HydrophobicContact CG-CD1 4.4Å; E62-L66 WeakPolarHBondContact O-CB 3.47Å; E62-L66 VanDerWaalsContact O-CG 3.3Å; E62-L66 WeakPolarHBondContact O-CG 3.47Å; E62-L66 PolarHBondContact O-N 2.8Å
63	E	33.6	Very low	29.2	Very low	142 Å²	142	89.2 Å²	89.2	66%	0.664	46%	0.464	S	S	*	.	H	α-helix	trans	-60.8	-44	175.1	-172.2	-179.6	-176.8	0	0	112	A59 A67	A59-E63 PolarHBondContact O-N 3.01Å; E63-A67 WeakPolarHBondContact O-CB 3.46Å; E63-A67 PolarHBondContact O-N 3.48Å
64	K	33.6	Very low	29	Very low	77 Å²	77	85.1 Å²	85.1	34%	0.335	44%	0.443	S	S	.	.	H	α-helix	trans	-66.6	-48.6	173.9	-73.5	177.6	178.8	178.6	0	110.5	C56 E60 E62 L66 A67 Y68	C56-K64 PolarHBondContact SG-NZ 2.69Å; E60-K64 VanDerWaalsContact O-CB 3.27Å; E60-K64 WeakPolarHBondContact O-CB 3.34Å; E60-K64 VanDerWaalsContact O-CG 3.27Å; E60-K64 WeakPolarHBondContact O-CG 3.18Å; E60-K64 PolarHBondContact O-N 3.26Å; E62-K64 PolarHBondContact O-N 2.83Å; K64-L66 PolarHBondContact O-N 3.19Å; K64-L66 VanDerWaalsContact O-N 3.14Å; K64-A67 CarbonylContact O-C 3.52Å; K64-A67 WeakPolarHBondContact O-CA 3.13Å; K64-A67 PolarHBondContact O-N 2.9Å; K64-Y68 HydrophobicContact CB-CD2 4.13Å; K64-Y68 HydrophobicContact CB-CE2 4.23Å; K64-Y68 HydrophobicContact CG-CE2 4.44Å; K64-Y68 WeakPolarHBondContact O-CB 3.49Å; K64-Y68 WeakPolarHBondContact O-CD2 2.94Å; K64-Y68 PolarHBondContact O-N 2.87Å
65	A	31.9	Very low	28.8	Very low	19 Å²	19	86.3 Å²	86.3	16%	0.157	44%	0.442	C	S	.	.	H	α-helix	trans	-54	-39.2	178.4	0	0	0	0	0	112.3	W32 I61 E62 Y68	W32-A65 HydrophobicContact CH2-CB 4.45Å; W32-A65 HydrophobicContact CZ2-CB 4.14Å; I61-A65 WeakPolarHBondContact O-CB 3.16Å; I61-A65 PolarHBondContact O-N 3.35Å; E62-A65 PolarHBondContact O-N 2.81Å; A65-Y68 PolarHBondContact O-N 3.37Å
66	L	30.1	Very low	28.6	Very low	110 Å²	110	89.5 Å²	89.5	58%	0.576	46%	0.455	S	S	*	.	H	α-helix	trans	-67	-42.4	173	-72.7	166.9	0	0	0	113	E62 K64 Y68	E62-L66 HydrophobicContact CG-CD1 4.4Å; E62-L66 WeakPolarHBondContact O-CB 3.47Å; E62-L66 VanDerWaalsContact O-CG 3.3Å; E62-L66 WeakPolarHBondContact O-CG 3.47Å; E62-L66 PolarHBondContact O-N 2.8Å; K64-L66 PolarHBondContact O-N 3.19Å; K64-L66 VanDerWaalsContact O-N 3.14Å; L66-Y68 VanDerWaalsContact C-N 3.31Å; L66-Y68 PolarHBondContact O-N 3.34Å
67	A	26	Very low	28.4	Very low	70 Å²	70	99.3 Å²	99.3	58%	0.579	49%	0.488	S	S	*	.	H	α-helix	trans	-66.6	-30.7	176.3	0	0	0	0	0	113.1	E63 K64 R69	E63-A67 WeakPolarHBondContact O-CB 3.46Å; E63-A67 PolarHBondContact O-N 3.48Å; K64-A67 CarbonylContact O-C 3.52Å; K64-A67 WeakPolarHBondContact O-CA 3.13Å; K64-A67 PolarHBondContact O-N 2.9Å; A67-R69 VanDerWaalsContact C-N 3.34Å; A67-R69 PolarHBondContact O-N 3.2Å
68	Y	30.8	Very low	28.1	Very low	80 Å²	80	101.6 Å²	101.6	31%	0.314	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	8.9	-174.5	-81.1	-93.7	0	0	0	114.5	W51 K64 A65 L66 H70 V71	W51-Y68 HydrophobicContact CH2-CD2 4.47Å; W51-Y68 HydrophobicContact CH2-CG 4.44Å; W51-Y68 AromaticContact CZ2-CD1 3.91Å; W51-Y68 HydrophobicContact CZ2-CD1 3.91Å; W51-Y68 AromaticContact CZ2-CD2 3.54Å; W51-Y68 HydrophobicContact CZ2-CD2 3.54Å; W51-Y68 HydrophobicContact CZ2-CE1 4.28Å; W51-Y68 AromaticContact CZ2-CE2 3.91Å; W51-Y68 HydrophobicContact CZ2-CE2 3.91Å; W51-Y68 AromaticContact CZ2-CG 3.55Å; W51-Y68 HydrophobicContact CZ2-CG 3.55Å; W51-Y68 AromaticContact NE1-CE1 3.8Å; W51-Y68 AromaticContact NE1-CE2 3.9Å; W51-Y68 AromaticContact NE1-CZ 3.59Å; K64-Y68 HydrophobicContact CB-CD2 4.13Å; K64-Y68 HydrophobicContact CB-CE2 4.23Å; K64-Y68 HydrophobicContact CG-CE2 4.44Å; K64-Y68 WeakPolarHBondContact O-CB 3.49Å; K64-Y68 WeakPolarHBondContact O-CD2 2.94Å; K64-Y68 PolarHBondContact O-N 2.87Å; A65-Y68 PolarHBondContact O-N 3.37Å; L66-Y68 VanDerWaalsContact C-N 3.31Å; L66-Y68 PolarHBondContact O-N 3.34Å; Y68-H70 PolarHBondContact O-N 2.86Å; Y68-V71 HydrophobicContact CD1-CB 3.94Å; Y68-V71 HydrophobicContact CD1-CG1 4.29Å; Y68-V71 HydrophobicContact CD1-CG2 3.4Å; Y68-V71 HydrophobicContact CE1-CG2 4.04Å; Y68-V71 HydrophobicContact CG-CG2 4.25Å; Y68-V71 PolarHBondContact O-N 3.41Å
69	R	25.6	Very low	27.8	Very low	209 Å²	209	99.5 Å²	99.5	79%	0.789	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-7.4	169	-159.8	178.9	-175.3	-176.4	3.7	114.4	A67	A67-R69 VanDerWaalsContact C-N 3.34Å; A67-R69 PolarHBondContact O-N 3.2Å
70	H	25.2	Very low	27.5	Very low	154 Å²	154	104.5 Å²	104.5	71%	0.713	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	9.8	-175	-67.5	-67.9	0	0	0	116.3	Y68	Y68-H70 PolarHBondContact O-N 2.86Å
71	V	23.5	Very low	27	Very low	61 Å²	61	109.7 Å²	109.7	37%	0.37	50%	0.498	S	S	.	.			trans	-102.2	143.3	-166	-179.5	0	0	0	0	115.9	I41 Y68	I41-V71 WeakPolarHBondContact CD1-O 3.3Å; Y68-V71 HydrophobicContact CD1-CB 3.94Å; Y68-V71 HydrophobicContact CD1-CG1 4.29Å; Y68-V71 HydrophobicContact CD1-CG2 3.4Å; Y68-V71 HydrophobicContact CE1-CG2 4.04Å; Y68-V71 HydrophobicContact CG-CG2 4.25Å; Y68-V71 PolarHBondContact O-N 3.41Å
72	R	27.7	Very low	26.5	Very low	132 Å²	132	113.8 Å²	113.8	50%	0.498	52%	0.516	S	S	.	.			trans	-119.8	110.3	-151.9	-78.6	169.7	171.1	179	2.7	113.1	S40 I41 H44	S40-R72 WeakPolarHBondContact O-CB 3.06Å; S40-R72 VanDerWaalsContact O-CD 3.32Å; S40-R72 WeakPolarHBondContact O-CD 3.07Å; S40-R72 VanDerWaalsContact O-CG 3.32Å; S40-R72 WeakPolarHBondContact O-CG 3.1Å; S40-R72 PolarHBondContact OG-NE 3.3Å; I41-R72 HydrophobicContact CB-CB 4.34Å; I41-R72 HydrophobicContact CB-CG 4.48Å; I41-R72 HydrophobicContact CG1-CB 4.04Å; I41-R72 HydrophobicContact CG1-CG 3.75Å; I41-R72 CarbonylContact O-C 3.51Å; I41-R72 VanDerWaalsContact O-O 3.06Å; H44-R72 CarbonylContact C-O 2.98Å; H44-R72 VanDerWaalsContact C-O 3.3Å; H44-R72 WeakPolarHBondContact CA-O 3.44Å; H44-R72 WeakPolarHBondContact CB-O 3.37Å; H44-R72 PolarHBondContact N-O 2.94Å
73	L	24.8	Very low	26.3	Very low	45 Å²	45	110 Å²	110	24%	0.236	51%	0.506	C	S	.	.			trans	-71.4	113.6	178.3	-59.9	152.1	0	0	0	120.6	L37 I41 R42 N43 I48 F124	L37-L73 HydrophobicContact CD1-CD1 3.59Å; L37-L73 HydrophobicContact CD1-CG 4.39Å; I41-L73 VanDerWaalsContact C-C 3.42Å; I41-L73 CarbonylContact C-O 3.3Å; I41-L73 HydrophobicContact CG2-CB 3.39Å; I41-L73 HydrophobicContact CG2-CD1 3.71Å; I41-L73 HydrophobicContact CG2-CG 3.72Å; I41-L73 CarbonylContact O-C 3.43Å; I41-L73 WeakPolarHBondContact O-CA 3.37Å; I41-L73 PolarHBondContact O-N 3.19Å; R42-L73 VanDerWaalsContact C-C 3.47Å; R42-L73 CarbonylContact C-O 3.53Å; R42-L73 WeakPolarHBondContact CA-O 3.35Å; R42-L73 PolarHBondContact N-O 2.76Å; N43-L73 PolarHBondContact N-O 3.38Å; I48-L73 HydrophobicContact CD1-CD2 4.25Å; L73-F124 HydrophobicContact CD1-CE1 4.08Å; L73-F124 HydrophobicContact CD2-CE1 4.4Å
74	G	21.3	Very low	26	Very low	14 Å²	14	109.3 Å²	109.3	14%	0.144	52%	0.517	C	S	.	.			trans	-155.8	107.2	158.4	0	0	0	0	0	109.8	I41 R42 N43 H44 C45	I41-G74 PolarHBondContact O-N 3.31Å; R42-G74 WeakPolarHBondContact O-CA 3.45Å; N43-G74 CarbonylContact C-O 3.24Å; N43-G74 VanDerWaalsContact C-O 3.24Å; H44-G74 CarbonylContact C-O 3.55Å; H44-G74 PolarHBondContact N-O 3.06Å; C45-G74 PolarHBondContact N-O 3.09Å; C45-G74 PolarHBondContact SG-N 3.04Å; C45-G74 VanDerWaalsContact SG-N 3.44Å
75	Y	23.8	Very low	25.9	Very low	108 Å²	108	108.5 Å²	108.5	42%	0.424	53%	0.53	S	S	.	.			trans	162.5	58.3	169.9	-95.5	-72.7	0	0	0	108.7	C45 Y46 R77 H78	C45-Y75 PolarHBondContact SG-N 3.13Å; Y46-Y75 HydrophobicContact CD2-CD2 4.13Å; Y46-Y75 AromaticContact CD2-CE2 4Å; Y46-Y75 HydrophobicContact CD2-CE2 4Å; Y46-Y75 HydrophobicContact CE2-CE2 4.26Å; Y75-R77 PolarHBondContact O-N 3.47Å; Y75-H78 HydrophobicContact CD1-CB 4.11Å
76	Y	25.3	Very low	25.9	Very low	144 Å²	144	109.3 Å²	109.3	57%	0.565	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.4	171.2	-108.8	-87.9	0	0	0	113.6	F124	Y76-F124 HydrophobicContact CE2-CD1 4.41Å; Y76-F124 HydrophobicContact CE2-CE1 4.16Å; Y76-F124 HydrophobicContact CE2-CZ 4.19Å; Y76-F124 AromaticContact CZ-CD2 3.94Å; Y76-F124 AromaticContact CZ-CE2 3.83Å; Y76-F124 AromaticContact CZ-CZ 3.96Å; Y76-F124 WeakPolarHBondContact OH-CB 3.41Å; Y76-F124 VanDerWaalsContact OH-CD1 3.24Å; Y76-F124 WeakPolarHBondContact OH-CD1 3.44Å; Y76-F124 WeakPolarHBondContact OH-CD2 3.29Å; Y76-F124 WeakPolarHBondContact OH-CE2 3.36Å; Y76-F124 WeakPolarHBondContact OH-CG 3.32Å; Y76-F124 WeakPolarHBondContact OH-CZ 3.39Å
77	R	22.9	Very low	26.1	Very low	233 Å²	233	105.6 Å²	105.6	88%	0.879	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-12.7	-173.6	-111.7	-178.4	-173.3	-177.3	2.8	115.5	Y75	Y75-R77 PolarHBondContact O-N 3.47Å
78	H	23.7	Very low	26.4	Very low	114 Å²	114	107.3 Å²	107.3	53%	0.528	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-14.6	-171.3	-95.3	11	0	0	0	116.4	Y75 K80 K81	Y75-H78 HydrophobicContact CD1-CB 4.11Å; H78-K80 PolarHBondContact O-N 2.9Å; H78-K80 VanDerWaalsContact O-N 3.12Å; H78-K81 PolarHBondContact O-N 2.99Å
79	I	25.2	Very low	26.8	Very low	38 Å²	38	104.4 Å²	104.4	20%	0.195	51%	0.505	C	S	.	.	G	3₁₀ helix	trans	-65.5	-18.2	179	-65	176.7	0	0	0	112.8	K81 I86 F101	I79-K81 PolarHBondContact O-N 3.34Å; I79-I86 HydrophobicContact CG2-CD1 3.4Å; I79-F101 HydrophobicContact CG2-CE1 4.29Å
80	K	22.8	Very low	27.2	Very low	175 Å²	175	103 Å²	103	76%	0.761	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-60.2	-15.6	177.8	-121.2	-176.9	-177.8	-176.5	0	115.2	H78 M88	H78-K80 PolarHBondContact O-N 2.9Å; H78-K80 VanDerWaalsContact O-N 3.12Å; K80-M88 HydrophobicContact CD-CE 4.23Å; K80-M88 HydrophobicContact CG-CE 3.85Å
81	K	23	Very low	27.9	Very low	193 Å²	193	96 Å²	96	84%	0.839	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-111.3	-17.5	-166.5	-99.1	-171.8	176.3	-174.9	0	117.8	H78 I79	H78-K81 PolarHBondContact O-N 2.99Å; I79-K81 PolarHBondContact O-N 3.34Å
82	Q	23.8	Very low	28.6	Very low	146 Å²	146	99.8 Å²	99.8	68%	0.682	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	-5.9	-164.8	-102.6	-173.6	0.8	0	0	117	Q49	Q49-Q82 VanDerWaalsContact CD-OE1 3.22Å
83	A	27.3	Very low	29.4	Very low	46 Å²	46	94.1 Å²	94.1	38%	0.38	47%	0.47	S	S	.	.			trans	-115.8	103.6	169.8	0	0	0	0	0	108.9	G85 I86	A83-G85 PolarHBondContact O-N 3.09Å; A83-I86 HydrophobicContact CB-CD1 3.37Å; A83-I86 HydrophobicContact CB-CG1 3.49Å; A83-I86 VanDerWaalsContact CB-CG1 3.49Å; A83-I86 PolarHBondContact O-N 3.09Å
84	S	28.9	Very low	30.4	Very low	128 Å²	128	97.5 Å²	97.5	90%	0.895	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	115.7	164.6	50.8	0	0	0	0	108.2
85	G	31	Very low	31.5	Very low	59 Å²	59	97.5 Å²	97.5	61%	0.608	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.9	7.8	179.1	0	0	0	0	0	116	A83 A87	A83-G85 PolarHBondContact O-N 3.09Å; G85-A87 PolarHBondContact O-N 3.19Å
86	I	30.8	Very low	32.5	Very low	37 Å²	37	92.7 Å²	92.7	19%	0.19	48%	0.476	C	S	.	.			trans	-74.8	109.9	164.6	-62.8	-178.6	0	0	0	108.7	I79 A83 M88 F101	I79-I86 HydrophobicContact CG2-CD1 3.4Å; A83-I86 HydrophobicContact CB-CD1 3.37Å; A83-I86 HydrophobicContact CB-CG1 3.49Å; A83-I86 VanDerWaalsContact CB-CG1 3.49Å; A83-I86 PolarHBondContact O-N 3.09Å; I86-M88 HydrophobicContact CG2-CG 3.74Å; I86-F101 HydrophobicContact CD1-CD1 3.62Å; I86-F101 HydrophobicContact CD1-CE1 3.4Å; I86-F101 HydrophobicContact CG1-CD1 3.79Å; I86-F101 HydrophobicContact CG1-CE1 4.07Å
87	A	34.7	Very low	33.6	Very low	32 Å²	32	91.1 Å²	91.1	26%	0.264	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-86.5	111.1	163.7	0	0	0	0	0	107.8	G85 L174	G85-A87 PolarHBondContact O-N 3.19Å; A87-L174 HydrophobicContact CB-CD2 3.76Å
88	M	33	Very low	34.8	Very low	105 Å²	105	80.7 Å²	80.7	52%	0.517	44%	0.435	S	S	.	.			trans	-89.8	112.9	171.6	-62.5	-166.4	-45.6	0	0	108.1	K80 I86	K80-M88 HydrophobicContact CD-CE 4.23Å; K80-M88 HydrophobicContact CG-CE 3.85Å; I86-M88 HydrophobicContact CG2-CG 3.74Å
89	S	37.7	Very low	35.9	Very low	19 Å²	19	76 Å²	76	13%	0.133	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-102.2	121.9	172.4	-59.8	0	0	0	0	108.5	Y91 N182	S89-Y91 PolarHBondContact O-N 3.15Å; S89-N182 WeakPolarHBondContact CB-ND2 3.06Å; S89-N182 PolarHBondContact OG-ND2 3.18Å
90	K	35	Very low	37	Very low	181 Å²	181	74.9 Å²	74.9	79%	0.787	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-71.3	116.1	162.2	-175.2	178.9	178.1	-173.6	0	105.6
91	Y	40.8	Very low	38.1	Very low	5 Å²	5	67.1 Å²	67.1	2%	0.02	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-69.5	144	174.1	-61.3	-83.5	0	0	0	108.4	S89 I93 L123 L185	S89-Y91 PolarHBondContact O-N 3.15Å; Y91-I93 PolarHBondContact O-N 3.21Å; Y91-L123 HydrophobicContact CD2-CD2 3.82Å; Y91-L123 HydrophobicContact CE1-CD2 4.15Å; Y91-L123 HydrophobicContact CE2-CD2 3.26Å; Y91-L123 HydrophobicContact CG-CD2 4.48Å; Y91-L123 VanDerWaalsContact CZ-CD2 3.45Å; Y91-L185 HydrophobicContact CD1-CB 4.25Å; Y91-L185 HydrophobicContact CE1-CB 3.62Å; Y91-L185 HydrophobicContact CE1-CD1 3.89Å; Y91-L185 HydrophobicContact CE1-CG 4.46Å; Y91-L185 WeakPolarHBondContact OH-CD1 3.41Å
92	D	38.4	Very low	39.5	Very low	141 Å²	141	62.6 Å²	62.6	75%	0.754	35%	0.354	S	S	*	.	S	Bend	trans	-71.6	20.8	-179.8	-75	-33.4	0	0	0	113.1
93	I	42.9	Very low	40.7	Very low	14 Å²	14	58.1 Å²	58.1	7%	0.072	33%	0.332	C	S	.	.	S	Bend	trans	-112.5	115.1	-174	-60.6	160.5	0	0	0	107.6	Y91 G95 V96 T186 A189 V190 A193	Y91-I93 PolarHBondContact O-N 3.21Å; I93-G95 PolarHBondContact O-N 2.97Å; I93-V96 HydrophobicContact CB-CB 4.05Å; I93-V96 HydrophobicContact CB-CG2 4.26Å; I93-V96 HydrophobicContact CG2-CB 4Å; I93-V96 HydrophobicContact CG2-CG2 3.64Å; I93-V96 PolarHBondContact O-N 3.48Å; I93-T186 HydrophobicContact CD1-CG2 3.78Å; I93-T186 WeakPolarHBondContact CD1-O 2.8Å; I93-T186 HydrophobicContact CG1-CG2 3.99Å; I93-A189 HydrophobicContact CD1-CB 3.15Å; I93-A189 HydrophobicContact CG1-CB 4.46Å; I93-V190 HydrophobicContact CD1-CB 4.5Å; I93-V190 HydrophobicContact CD1-CG2 3.72Å; I93-V190 HydrophobicContact CG1-CG2 3.73Å; I93-A193 HydrophobicContact CG2-CB 4.45Å
94	P	45.5	Very low	41.8	Very low	115 Å²	115	60.9 Å²	60.9	75%	0.747	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	132	171.3	-24.9	34.6	0	0	0	110.4	V96	P94-V96 VanDerWaalsContact C-N 3.28Å; P94-V96 PolarHBondContact O-N 2.74Å
95	G	45.7	Very low	42.7	Very low	14 Å²	14	57.2 Å²	57.2	14%	0.144	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-0.6	180	0	0	0	0	0	115.4	I93 D126	I93-G95 PolarHBondContact O-N 2.97Å; G95-D126 VanDerWaalsContact O-CB 3.22Å; G95-D126 WeakPolarHBondContact O-CB 2.96Å; G95-D126 PolarHBondContact O-N 2.9Å
96	V	45.3	Very low	43.3	Very low	7 Å²	7	58 Å²	58	4%	0.042	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.4	173.4	-177.5	0	0	0	0	111.1	I93 P94 L123 F124 I125 A189	I93-V96 HydrophobicContact CB-CB 4.05Å; I93-V96 HydrophobicContact CB-CG2 4.26Å; I93-V96 HydrophobicContact CG2-CB 4Å; I93-V96 HydrophobicContact CG2-CG2 3.64Å; I93-V96 PolarHBondContact O-N 3.48Å; P94-V96 VanDerWaalsContact C-N 3.28Å; P94-V96 PolarHBondContact O-N 2.74Å; V96-L123 HydrophobicContact CG1-CD2 4.45Å; V96-F124 WeakPolarHBondContact CA-O 3.16Å; V96-I125 HydrophobicContact CG2-CG1 4.23Å; V96-I125 HydrophobicContact CG2-CG2 4.27Å; V96-A189 HydrophobicContact CB-CB 4.2Å; V96-A189 HydrophobicContact CG1-CB 3.81Å; V96-A189 HydrophobicContact CG2-CB 3.97Å
97	Y	47.3	Very low	43.9	Very low	112 Å²	112	58.2 Å²	58.2	44%	0.439	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148.1	177.7	-53.1	-82.9	0	0	0	109	L123 F124 D126	Y97-L123 CarbonylContact O-C 3.49Å; Y97-L123 WeakPolarHBondContact O-CA 3.24Å; Y97-F124 PolarHBondContact N-O 3.43Å; Y97-F124 PolarHBondContact O-N 3.36Å; Y97-D126 HydrophobicContact CE2-CB 3.98Å
98	G	48.6	Very low	44	Very low	14 Å²	14	61.3 Å²	61.3	14%	0.144	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	-179.5	171.4	0	0	0	0	0	113.8	I122	G98-I122 CarbonylContact C-O 3.53Å; G98-I122 WeakPolarHBondContact CA-O 3.37Å
99	C	45.5	Very low	44.1	Very low	15 Å²	15	64 Å²	64	10%	0.101	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	144	-179.5	53.7	0	0	0	0	109.5	F101 T121 I122	C99-F101 HydrophobicContact CB-CE2 4.36Å; C99-F101 HydrophobicContact CB-CZ 4.48Å; C99-F101 WeakPolarHBondContact SG-CE2 3.49Å; C99-F101 VanDerWaalsContact SG-CZ 3.56Å; C99-T121 CarbonylContact O-C 3.03Å; C99-T121 WeakPolarHBondContact O-CA 2.87Å; C99-I122 PolarHBondContact N-O 2.94Å; C99-I122 PolarHBondContact O-N 2.91Å
100	T	48.5	Very low	44.5	Very low	14 Å²	14	73.9 Å²	73.9	9%	0.086	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.9	174.4	-55	0	0	0	0	108.7	Y119 M120 L181	T100-Y119 HydrophobicContact CG2-CD1 4.28Å; T100-M120 CarbonylContact C-O 2.78Å; T100-M120 WeakPolarHBondContact CA-O 3.27Å; T100-L181 HydrophobicContact CG2-CD2 4Å
101	F	46.8	Very low	45.8	Very low	12 Å²	12	72.8 Å²	72.8	5%	0.053	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.7	172.4	-53.8	-93.2	0	0	0	108.6	T52 I79 I86 C99 Y119 M120 I122	T52-F101 HydrophobicContact CG2-CB 4.42Å; T52-F101 HydrophobicContact CG2-CD1 4.09Å; T52-F101 HydrophobicContact CG2-CG 4.41Å; I79-F101 HydrophobicContact CG2-CE1 4.29Å; I86-F101 HydrophobicContact CD1-CD1 3.62Å; I86-F101 HydrophobicContact CD1-CE1 3.4Å; I86-F101 HydrophobicContact CG1-CD1 3.79Å; I86-F101 HydrophobicContact CG1-CE1 4.07Å; C99-F101 HydrophobicContact CB-CE2 4.36Å; C99-F101 HydrophobicContact CB-CZ 4.48Å; C99-F101 WeakPolarHBondContact SG-CE2 3.49Å; C99-F101 VanDerWaalsContact SG-CZ 3.56Å; F101-Y119 CarbonylContact O-C 3.57Å; F101-Y119 VanDerWaalsContact O-CA 3.25Å; F101-Y119 WeakPolarHBondContact O-CA 3.49Å; F101-M120 HydrophobicContact CB-CB 4.28Å; F101-M120 HydrophobicContact CD2-CB 4.45Å; F101-M120 HydrophobicContact CD2-CG 4.36Å; F101-M120 WeakPolarHBondContact CD2-O 3.36Å; F101-M120 PolarHBondContact N-O 3.28Å; F101-M120 PolarHBondContact O-N 2.87Å; F101-I122 HydrophobicContact CD2-CD1 4.46Å; F101-I122 HydrophobicContact CD2-CG1 4.46Å; F101-I122 HydrophobicContact CE2-CD1 3.67Å; F101-I122 HydrophobicContact CE2-CG1 3.94Å; F101-I122 HydrophobicContact CZ-CD1 4.41Å
102	R	52.2	Low	45.8	Very low	99 Å²	99	79.5 Å²	79.5	37%	0.374	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.2	176.9	-178.7	178.1	-178	-99.7	-5.7	108.4	E104 I117 W118 Y119	R102-E104 IonicContact CZ-OE1 3.71Å; R102-E104 IonicContact NH1-OE1 2.77Å; R102-E104 PolarHBondContact NH1-OE1 3.02Å; R102-E104 IonicContact NH2-OE1 2.99Å; R102-E104 PolarHBondContact NH2-OE1 2.87Å; R102-I117 HydrophobicContact CG-CG2 4.15Å; R102-W118 CarbonylContact C-O 3.58Å; R102-W118 WeakPolarHBondContact CA-O 3.44Å; R102-Y119 HydrophobicContact CB-CD1 4.12Å; R102-Y119 HydrophobicContact CB-CE1 4.07Å; R102-Y119 HydrophobicContact CG-CD1 4.1Å; R102-Y119 HydrophobicContact CG-CE1 3.65Å; R102-Y119 PolarHBondContact NE-OH 2.77Å
103	K	49.8	Very low	46.3	Very low	52 Å²	52	77.2 Å²	77.2	23%	0.226	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124	173.2	-168.8	172.7	-171.6	165.2	0	110	T52 V53 W55 I105 W118	T52-K103 PolarHBondContact O-NZ 3Å; V53-K103 PolarHBondContact O-NZ 2.78Å; W55-K103 HydrophobicContact CD2-CD 3.75Å; W55-K103 VanDerWaalsContact CE2-CD 3.4Å; W55-K103 HydrophobicContact CG-CD 3.83Å; W55-K103 VanDerWaalsContact CG-NZ 3.27Å; W55-K103 HydrophobicContact CZ2-CB 4.13Å; W55-K103 HydrophobicContact CZ2-CD 4.05Å; W55-K103 VanDerWaalsContact NE1-CD 3.25Å; K103-I105 HydrophobicContact CD-CD1 4.39Å; K103-I105 HydrophobicContact CD-CG1 4.34Å; K103-I105 HydrophobicContact CG-CG1 4.12Å; K103-W118 PolarHBondContact N-O 3.32Å; K103-W118 PolarHBondContact O-N 2.8Å
104	E	49.9	Very low	46.4	Very low	103 Å²	103	82.1 Å²	82.1	48%	0.481	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	130.9	170.3	-56.4	-177.2	174	0	0	108.6	R102 I117	R102-E104 IonicContact CZ-OE1 3.71Å; R102-E104 IonicContact NH1-OE1 2.77Å; R102-E104 PolarHBondContact NH1-OE1 3.02Å; R102-E104 IonicContact NH2-OE1 2.99Å; R102-E104 PolarHBondContact NH2-OE1 2.87Å; E104-I117 HydrophobicContact CG-CG1 4.22Å
105	I	46.5	Very low	46.7	Very low	51 Å²	51	83.1 Å²	83.1	26%	0.262	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	118.6	177.2	-55.2	-179.7	0	0	0	107.4	W55 K103 I116	W55-I105 HydrophobicContact CD2-CD1 4.18Å; W55-I105 HydrophobicContact CE3-CD1 3.7Å; W55-I105 HydrophobicContact CZ3-CD1 4.23Å; K103-I105 HydrophobicContact CD-CD1 4.39Å; K103-I105 HydrophobicContact CD-CG1 4.34Å; K103-I105 HydrophobicContact CG-CG1 4.12Å; I105-I116 PolarHBondContact N-O 3.29Å; I105-I116 PolarHBondContact O-N 3.2Å
106	S	44.9	Very low	46.8	Very low	77 Å²	77	84 Å²	84	54%	0.538	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	109.2	171.3	-52.4	0	0	0	0	109.3
107	A	43.3	Very low	47.1	Very low	41 Å²	41	84.3 Å²	84.3	34%	0.339	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.1	173.6	0	0	0	0	0	109.5	Q114 I116	A107-Q114 PolarHBondContact N-O 3.48Å; A107-Q114 PolarHBondContact O-N 3.18Å; A107-I116 HydrophobicContact CB-CD1 3.99Å
108	T	36.9	Very low	47.2	Very low	96 Å²	96	81.3 Å²	81.3	59%	0.589	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	121.1	177	-52.2	0	0	0	0	110.1	H112 T113	T108-H112 CarbonylContact C-O 3.58Å; T108-H112 WeakPolarHBondContact CA-O 3.33Å; T108-T113 PolarHBondContact OG1-OG1 2.94Å
109	K	34.3	Very low	47.4	Very low	161 Å²	161	81.3 Å²	81.3	70%	0.7	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.9	172.5	-169.6	175.8	-176.4	177.5	0	110.1	N111 H112	K109-N111 PolarHBondContact O-N 2.98Å; K109-H112 PolarHBondContact N-O 2.84Å; K109-H112 PolarHBondContact O-N 3.22Å
110	R	47.2	Very low	47.7	Very low	228 Å²	228	82.3 Å²	82.3	86%	0.86	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	54.9	176.2	-63.6	-176.7	178.9	177.6	-0.7	113.4	H112	R110-H112 PolarHBondContact O-N 2.9Å
111	N	60.7	Low	48	Very low	157 Å²	157	81.8 Å²	81.8	84%	0.84	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	13.1	-178.6	-54.7	-16.7	0	0	0	115.7	K109	K109-N111 PolarHBondContact O-N 2.98Å
112	H	41.4	Very low	48.1	Very low	147 Å²	147	81.7 Å²	81.7	68%	0.681	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	115.9	171	-67.7	14.4	0	0	0	108.6	T108 K109 R110	T108-H112 CarbonylContact C-O 3.58Å; T108-H112 WeakPolarHBondContact CA-O 3.33Å; K109-H112 PolarHBondContact N-O 2.84Å; K109-H112 PolarHBondContact O-N 3.22Å; R110-H112 PolarHBondContact O-N 2.9Å
113	T	48.3	Very low	48.1	Very low	92 Å²	92	77.1 Å²	77.1	56%	0.564	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	117.7	171.6	-53.1	0	0	0	0	108.1	T108	T108-T113 PolarHBondContact OG1-OG1 2.94Å
114	Q	46.2	Very low	48.1	Very low	117 Å²	117	76 Å²	76	55%	0.547	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.6	171.3	-173.1	174.3	10	0	0	108.6	A107 I116	A107-Q114 PolarHBondContact N-O 3.48Å; A107-Q114 PolarHBondContact O-N 3.18Å; Q114-I116 HydrophobicContact CG-CG1 4.25Å
115	E	50.5	Low	48.1	Very low	137 Å²	137	72 Å²	72	64%	0.64	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.1	168.1	-69.5	-178.2	173	0	0	109.3
116	I	48.6	Very low	48.1	Very low	31 Å²	31	73.9 Å²	73.9	16%	0.159	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.4	175.7	-55.6	176.7	0	0	0	107	I105 A107 Q114 W118 Q137	I105-I116 PolarHBondContact N-O 3.29Å; I105-I116 PolarHBondContact O-N 3.2Å; A107-I116 HydrophobicContact CB-CD1 3.99Å; Q114-I116 HydrophobicContact CG-CG1 4.25Å; I116-W118 VanDerWaalsContact CG2-NE1 3.3Å; I116-Q137 HydrophobicContact CG2-CG 3.64Å
117	I	51.3	Low	48.2	Very low	14 Å²	14	77.2 Å²	77.2	7%	0.072	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124	176.9	-55.3	172	0	0	0	108.2	R102 E104 Y119 R138	R102-I117 HydrophobicContact CG-CG2 4.15Å; E104-I117 HydrophobicContact CG-CG1 4.22Å; I117-Y119 HydrophobicContact CB-CE2 4.45Å; I117-Y119 HydrophobicContact CG2-CD2 4.3Å; I117-Y119 HydrophobicContact CG2-CE1 4.45Å; I117-Y119 HydrophobicContact CG2-CE2 3.57Å; I117-R138 HydrophobicContact CB-CB 4.11Å; I117-R138 PolarHBondContact O-N 3.38Å
118	W	49.4	Very low	48.4	Very low	50 Å²	50	76.7 Å²	76.7	19%	0.189	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	144.7	173.4	-67.4	91.6	0	0	0	111.3	W55 R102 K103 I116 V135 Q136 Q137	W55-W118 HydrophobicContact CE3-CG 4.4Å; W55-W118 HydrophobicContact CH2-CB 3.23Å; W55-W118 AromaticContact CH2-CD2 3.77Å; W55-W118 HydrophobicContact CH2-CD2 3.77Å; W55-W118 HydrophobicContact CH2-CE3 4.1Å; W55-W118 AromaticContact CH2-CG 3.4Å; W55-W118 HydrophobicContact CH2-CG 3.4Å; W55-W118 HydrophobicContact CZ2-CB 4.06Å; W55-W118 HydrophobicContact CZ3-CB 3.73Å; W55-W118 AromaticContact CZ3-CD1 3.58Å; W55-W118 AromaticContact CZ3-CD2 3.44Å; W55-W118 HydrophobicContact CZ3-CD2 3.44Å; W55-W118 VanDerWaalsContact CZ3-CD2 3.44Å; W55-W118 AromaticContact CZ3-CE2 3.83Å; W55-W118 AromaticContact CZ3-CE3 3.98Å; W55-W118 HydrophobicContact CZ3-CE3 3.98Å; W55-W118 AromaticContact CZ3-CG 3.3Å; W55-W118 HydrophobicContact CZ3-CG 3.3Å; W55-W118 AromaticContact CZ3-NE1 3.86Å; R102-W118 CarbonylContact C-O 3.58Å; R102-W118 WeakPolarHBondContact CA-O 3.44Å; K103-W118 PolarHBondContact N-O 3.32Å; K103-W118 PolarHBondContact O-N 2.8Å; I116-W118 VanDerWaalsContact CG2-NE1 3.3Å; W118-V135 HydrophobicContact CE3-CG1 3.83Å; W118-V135 HydrophobicContact CZ3-CG1 4.11Å; W118-Q136 CarbonylContact C-O 3.58Å; W118-Q136 VanDerWaalsContact CA-O 3.31Å; W118-Q136 WeakPolarHBondContact CA-O 3.45Å; W118-Q137 HydrophobicContact CD2-CB 4.13Å; W118-Q137 HydrophobicContact CD2-CG 4.31Å; W118-Q137 HydrophobicContact CE3-CB 3.85Å; W118-Q137 HydrophobicContact CH2-CB 3.87Å; W118-Q137 HydrophobicContact CH2-CG 4.34Å; W118-Q137 HydrophobicContact CZ2-CB 4.15Å; W118-Q137 HydrophobicContact CZ2-CG 4.12Å; W118-Q137 HydrophobicContact CZ3-CB 3.72Å
119	Y	52.9	Low	48.7	Very low	13 Å²	13	77.4 Å²	77.4	5%	0.051	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.3	172.1	-62.4	-86.9	0	0	0	108.7	T100 F101 R102 I117 V135 Q136 R138 E178	T100-Y119 HydrophobicContact CG2-CD1 4.28Å; F101-Y119 CarbonylContact O-C 3.57Å; F101-Y119 VanDerWaalsContact O-CA 3.25Å; F101-Y119 WeakPolarHBondContact O-CA 3.49Å; R102-Y119 HydrophobicContact CB-CD1 4.12Å; R102-Y119 HydrophobicContact CB-CE1 4.07Å; R102-Y119 HydrophobicContact CG-CD1 4.1Å; R102-Y119 HydrophobicContact CG-CE1 3.65Å; R102-Y119 PolarHBondContact NE-OH 2.77Å; I117-Y119 HydrophobicContact CB-CE2 4.45Å; I117-Y119 HydrophobicContact CG2-CD2 4.3Å; I117-Y119 HydrophobicContact CG2-CE1 4.45Å; I117-Y119 HydrophobicContact CG2-CE2 3.57Å; Y119-V135 CarbonylContact O-C 3.51Å; Y119-V135 WeakPolarHBondContact O-CA 3.22Å; Y119-Q136 PolarHBondContact N-O 3.13Å; Y119-Q136 PolarHBondContact O-N 2.87Å; Y119-R138 HydrophobicContact CE2-CB 4.21Å; Y119-R138 HydrophobicContact CE2-CG 4.49Å; Y119-E178 HydrophobicContact CE1-CG 4.46Å
120	M	51.7	Low	49.2	Very low	36 Å²	36	70.9 Å²	70.9	18%	0.177	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.8	170	174.7	-176.6	-69.8	0	0	107.7	T100 F101 I122 I133 V134 V135	T100-M120 CarbonylContact C-O 2.78Å; T100-M120 WeakPolarHBondContact CA-O 3.27Å; F101-M120 HydrophobicContact CB-CB 4.28Å; F101-M120 HydrophobicContact CD2-CB 4.45Å; F101-M120 HydrophobicContact CD2-CG 4.36Å; F101-M120 WeakPolarHBondContact CD2-O 3.36Å; F101-M120 PolarHBondContact N-O 3.28Å; F101-M120 PolarHBondContact O-N 2.87Å; M120-I122 HydrophobicContact CG-CG1 4.37Å; M120-I133 HydrophobicContact CG-CG2 4.12Å; M120-I133 HydrophobicContact SD-CG2 4.48Å; M120-V134 CarbonylContact C-O 3.51Å; M120-V134 VanDerWaalsContact CA-O 3.3Å; M120-V134 WeakPolarHBondContact CA-O 3.27Å; M120-V135 HydrophobicContact CB-CG2 4.35Å; M120-V135 HydrophobicContact CE-CG2 3.71Å; M120-V135 HydrophobicContact CG-CG2 4.08Å
121	T	54.3	Low	49.1	Very low	3 Å²	3	60.7 Å²	60.7	2%	0.018	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.8	174.4	-51.8	0	0	0	0	108.5	C99 L123 I133 V134 L185	C99-T121 CarbonylContact O-C 3.03Å; C99-T121 WeakPolarHBondContact O-CA 2.87Å; T121-L123 HydrophobicContact CG2-CD2 3.98Å; T121-L123 HydrophobicContact CG2-CG 3.96Å; T121-I133 CarbonylContact O-C 2.67Å; T121-I133 WeakPolarHBondContact O-CA 3.41Å; T121-V134 PolarHBondContact N-O 2.76Å; T121-V134 PolarHBondContact O-N 3.42Å; T121-L185 HydrophobicContact CG2-CD1 3.4Å; T121-L185 VanDerWaalsContact CG2-CD1 3.4Å; T121-L185 HydrophobicContact CG2-CD2 4.07Å; T121-L185 HydrophobicContact CG2-CG 4.37Å
122	I	50.4	Low	48.7	Very low	10 Å²	10	54.4 Å²	54.4	5%	0.051	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.6	169.3	-52.8	-178.7	0	0	0	107.5	G98 C99 F101 M120 F124 V131 L132 I133	G98-I122 CarbonylContact C-O 3.53Å; G98-I122 WeakPolarHBondContact CA-O 3.37Å; C99-I122 PolarHBondContact N-O 2.94Å; C99-I122 PolarHBondContact O-N 2.91Å; F101-I122 HydrophobicContact CD2-CD1 4.46Å; F101-I122 HydrophobicContact CD2-CG1 4.46Å; F101-I122 HydrophobicContact CE2-CD1 3.67Å; F101-I122 HydrophobicContact CE2-CG1 3.94Å; F101-I122 HydrophobicContact CZ-CD1 4.41Å; M120-I122 HydrophobicContact CG-CG1 4.37Å; I122-F124 HydrophobicContact CB-CE2 4.16Å; I122-F124 HydrophobicContact CG2-CD2 3.95Å; I122-F124 HydrophobicContact CG2-CE1 4.47Å; I122-F124 HydrophobicContact CG2-CE2 3.28Å; I122-F124 HydrophobicContact CG2-CZ 3.59Å; I122-V131 HydrophobicContact CG2-CG1 3.74Å; I122-L132 CarbonylContact C-O 3.55Å; I122-L132 WeakPolarHBondContact CA-O 3.11Å; I122-I133 HydrophobicContact CD1-CD1 4.46Å; I122-I133 HydrophobicContact CG1-CD1 4.44Å; I122-I133 HydrophobicContact CG1-CG1 4.26Å; I122-I133 HydrophobicContact CG1-CG2 4.34Å; I122-I133 HydrophobicContact CG2-CG1 4.21Å
123	L	52.5	Low	48.9	Very low	3 Å²	3	48.4 Å²	48.4	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140	174.5	-62.2	176.8	0	0	0	109.4	Y91 V96 Y97 T121 V131 L132 L185	Y91-L123 HydrophobicContact CD2-CD2 3.82Å; Y91-L123 HydrophobicContact CE1-CD2 4.15Å; Y91-L123 HydrophobicContact CE2-CD2 3.26Å; Y91-L123 HydrophobicContact CG-CD2 4.48Å; Y91-L123 VanDerWaalsContact CZ-CD2 3.45Å; V96-L123 HydrophobicContact CG1-CD2 4.45Å; Y97-L123 CarbonylContact O-C 3.49Å; Y97-L123 WeakPolarHBondContact O-CA 3.24Å; T121-L123 HydrophobicContact CG2-CD2 3.98Å; T121-L123 HydrophobicContact CG2-CG 3.96Å; L123-V131 CarbonylContact O-C 3.48Å; L123-V131 WeakPolarHBondContact O-CA 3.2Å; L123-L132 HydrophobicContact CB-CB 4.17Å; L123-L132 HydrophobicContact CD1-CD2 3.87Å; L123-L132 HydrophobicContact CD1-CG 4.5Å; L123-L132 PolarHBondContact N-O 3.03Å; L123-L132 PolarHBondContact O-N 3.02Å; L123-L185 HydrophobicContact CD1-CD2 4Å
124	F	48	Very low	49.1	Very low	29 Å²	29	45 Å²	45	13%	0.127	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.4	178.7	-63.5	-100.4	0	0	0	107.6	L73 Y76 V96 Y97 I122 E130 V131	L73-F124 HydrophobicContact CD1-CE1 4.08Å; L73-F124 HydrophobicContact CD2-CE1 4.4Å; Y76-F124 HydrophobicContact CE2-CD1 4.41Å; Y76-F124 HydrophobicContact CE2-CE1 4.16Å; Y76-F124 HydrophobicContact CE2-CZ 4.19Å; Y76-F124 AromaticContact CZ-CD2 3.94Å; Y76-F124 AromaticContact CZ-CE2 3.83Å; Y76-F124 AromaticContact CZ-CZ 3.96Å; Y76-F124 WeakPolarHBondContact OH-CB 3.41Å; Y76-F124 VanDerWaalsContact OH-CD1 3.24Å; Y76-F124 WeakPolarHBondContact OH-CD1 3.44Å; Y76-F124 WeakPolarHBondContact OH-CD2 3.29Å; Y76-F124 WeakPolarHBondContact OH-CE2 3.36Å; Y76-F124 WeakPolarHBondContact OH-CG 3.32Å; Y76-F124 WeakPolarHBondContact OH-CZ 3.39Å; V96-F124 WeakPolarHBondContact CA-O 3.16Å; Y97-F124 PolarHBondContact N-O 3.43Å; Y97-F124 PolarHBondContact O-N 3.36Å; I122-F124 HydrophobicContact CB-CE2 4.16Å; I122-F124 HydrophobicContact CG2-CD2 3.95Å; I122-F124 HydrophobicContact CG2-CE1 4.47Å; I122-F124 HydrophobicContact CG2-CE2 3.28Å; I122-F124 HydrophobicContact CG2-CZ 3.59Å; F124-E130 WeakPolarHBondContact CA-O 3.48Å; F124-V131 HydrophobicContact CD1-CB 4.5Å; F124-V131 HydrophobicContact CD1-CG1 4.25Å; F124-V131 HydrophobicContact CD1-CG2 3.61Å; F124-V131 HydrophobicContact CE1-CG1 4.09Å; F124-V131 HydrophobicContact CE1-CG2 3.79Å; F124-V131 HydrophobicContact CZ-CG1 4.43Å
125	I	50.3	Low	49.1	Very low	18 Å²	18	40.2 Å²	40.2	9%	0.092	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	107	-178.1	-51.9	176.6	0	0	0	107	V96 T128 N129 E130 K192	V96-I125 HydrophobicContact CG2-CG1 4.23Å; V96-I125 HydrophobicContact CG2-CG2 4.27Å; I125-T128 WeakPolarHBondContact CB-OG1 3.24Å; I125-T128 HydrophobicContact CG2-CG2 4.27Å; I125-T128 VanDerWaalsContact CG2-OG1 3.25Å; I125-T128 WeakPolarHBondContact CG2-OG1 3.34Å; I125-T128 PolarHBondContact O-N 2.83Å; I125-T128 PolarHBondContact O-OG1 2.77Å; I125-N129 WeakPolarHBondContact O-CA 3.25Å; I125-N129 PolarHBondContact O-N 3.29Å; I125-E130 HydrophobicContact CB-CB 4.46Å; I125-E130 PolarHBondContact N-O 3.48Å; I125-E130 PolarHBondContact O-N 3.09Å; I125-K192 HydrophobicContact CD1-CD 3.63Å; I125-K192 HydrophobicContact CD1-CG 4.41Å
126	D	46.4	Very low	49	Very low	92 Å²	92	35.7 Å²	35.7	49%	0.492	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-42.5	-172.9	-160.7	15.2	0	0	0	111.6	G95 Y97 T128	G95-D126 VanDerWaalsContact O-CB 3.22Å; G95-D126 WeakPolarHBondContact O-CB 2.96Å; G95-D126 PolarHBondContact O-N 2.9Å; Y97-D126 HydrophobicContact CE2-CB 3.98Å; D126-T128 PolarHBondContact O-N 2.85Å
127	E	47.8	Very low	49	Very low	146 Å²	146	35.9 Å²	35.9	68%	0.682	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.9	-177.3	-63.2	-172.6	169.4	0	0	113.2
128	T	47	Very low	48.9	Very low	31 Å²	31	42.2 Å²	42.2	19%	0.19	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-7.1	-174.6	60.5	0	0	0	0	113.5	I125 D126 E130 H196	I125-T128 WeakPolarHBondContact CB-OG1 3.24Å; I125-T128 HydrophobicContact CG2-CG2 4.27Å; I125-T128 VanDerWaalsContact CG2-OG1 3.25Å; I125-T128 WeakPolarHBondContact CG2-OG1 3.34Å; I125-T128 PolarHBondContact O-N 2.83Å; I125-T128 PolarHBondContact O-OG1 2.77Å; D126-T128 PolarHBondContact O-N 2.85Å; T128-E130 WeakPolarHBondContact CB-OE2 3.47Å; T128-E130 PolarHBondContact O-N 3.07Å; T128-E130 WeakPolarHBondContact OG1-CB 3.28Å; T128-E130 VanDerWaalsContact OG1-CD 3.24Å; T128-E130 VanDerWaalsContact OG1-CG 3.25Å; T128-E130 WeakPolarHBondContact OG1-CG 3.46Å; T128-E130 PolarHBondContact OG1-N 3.5Å; T128-E130 PolarHBondContact OG1-OE2 3.02Å; T128-H196 WeakPolarHBondContact CG2-CD2 3.4Å; T128-H196 WeakPolarHBondContact CG2-NE2 3.13Å
129	N	43.5	Very low	48.4	Very low	111 Å²	111	43.6 Å²	43.6	59%	0.594	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	31.3	-167.8	-65.4	-64.2	0	0	0	113.2	I125	I125-N129 WeakPolarHBondContact O-CA 3.25Å; I125-N129 PolarHBondContact O-N 3.29Å
130	E	44.1	Very low	47.4	Very low	24 Å²	24	45.1 Å²	45.1	11%	0.112	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	143.4	-180	-67.3	168.9	120.3	0	0	111.2	F124 I125 T128 K192	F124-E130 WeakPolarHBondContact CA-O 3.48Å; I125-E130 HydrophobicContact CB-CB 4.46Å; I125-E130 PolarHBondContact N-O 3.48Å; I125-E130 PolarHBondContact O-N 3.09Å; T128-E130 WeakPolarHBondContact CB-OE2 3.47Å; T128-E130 PolarHBondContact O-N 3.07Å; T128-E130 WeakPolarHBondContact OG1-CB 3.28Å; T128-E130 VanDerWaalsContact OG1-CD 3.24Å; T128-E130 VanDerWaalsContact OG1-CG 3.25Å; T128-E130 WeakPolarHBondContact OG1-CG 3.46Å; T128-E130 PolarHBondContact OG1-N 3.5Å; T128-E130 PolarHBondContact OG1-OE2 3.02Å; E130-K192 IonicContact OE1-NZ 2.69Å; E130-K192 PolarHBondContact OE1-NZ 2.93Å; E130-K192 WeakPolarHBondContact OE2-CE 3.3Å; E130-K192 IonicContact OE2-NZ 2.61Å; E130-K192 PolarHBondContact OE2-NZ 2.95Å
131	V	45.6	Very low	46.3	Very low	13 Å²	13	47.6 Å²	47.6	8%	0.079	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.2	171.6	-173.8	0	0	0	0	108.9	F34 L37 I122 L123 F124 I133	F34-V131 HydrophobicContact CD2-CB 4.39Å; F34-V131 PolarHBondContact N-O 3.23Å; F34-V131 PolarHBondContact O-N 3Å; L37-V131 HydrophobicContact CD1-CG2 4.28Å; I122-V131 HydrophobicContact CG2-CG1 3.74Å; L123-V131 CarbonylContact O-C 3.48Å; L123-V131 WeakPolarHBondContact O-CA 3.2Å; F124-V131 HydrophobicContact CD1-CB 4.5Å; F124-V131 HydrophobicContact CD1-CG1 4.25Å; F124-V131 HydrophobicContact CD1-CG2 3.61Å; F124-V131 HydrophobicContact CE1-CG1 4.09Å; F124-V131 HydrophobicContact CE1-CG2 3.79Å; F124-V131 HydrophobicContact CZ-CG1 4.43Å; V131-I133 HydrophobicContact CG1-CG1 4.12Å
132	L	51.8	Low	45.1	Very low	25 Å²	25	48.2 Å²	48.2	13%	0.131	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.8	174.6	169	65.9	0	0	0	109.1	I31 I33 I122 L123 V134	I31-L132 HydrophobicContact CG2-CD1 3.72Å; I33-L132 HydrophobicContact CD1-CD1 4.28Å; I33-L132 HydrophobicContact CG1-CD1 3.77Å; I122-L132 CarbonylContact C-O 3.55Å; I122-L132 WeakPolarHBondContact CA-O 3.11Å; L123-L132 HydrophobicContact CB-CB 4.17Å; L123-L132 HydrophobicContact CD1-CD2 3.87Å; L123-L132 HydrophobicContact CD1-CG 4.5Å; L123-L132 PolarHBondContact N-O 3.03Å; L123-L132 PolarHBondContact O-N 3.02Å; L132-V134 HydrophobicContact CD1-CG2 4.1Å; L132-V134 HydrophobicContact CD2-CG2 4.38Å; L132-V134 HydrophobicContact CG-CG2 4.02Å
133	I	47	Very low	43.8	Very low	22 Å²	22	52.4 Å²	52.4	11%	0.113	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.1	174.9	-53.2	-168.3	0	0	0	108.6	I31 W32 F34 M120 T121 I122 V131 V135	I31-I133 WeakPolarHBondContact CA-O 3.31Å; W32-I133 HydrophobicContact CB-CB 4.36Å; W32-I133 HydrophobicContact CE3-CD1 4.32Å; W32-I133 HydrophobicContact CE3-CG2 4.42Å; W32-I133 PolarHBondContact N-O 3.06Å; W32-I133 PolarHBondContact O-N 3.45Å; F34-I133 HydrophobicContact CD2-CD1 4.5Å; F34-I133 HydrophobicContact CE2-CD1 3.76Å; F34-I133 HydrophobicContact CE2-CG1 4.15Å; M120-I133 HydrophobicContact CG-CG2 4.12Å; M120-I133 HydrophobicContact SD-CG2 4.48Å; T121-I133 CarbonylContact O-C 2.67Å; T121-I133 WeakPolarHBondContact O-CA 3.41Å; I122-I133 HydrophobicContact CD1-CD1 4.46Å; I122-I133 HydrophobicContact CG1-CD1 4.44Å; I122-I133 HydrophobicContact CG1-CG1 4.26Å; I122-I133 HydrophobicContact CG1-CG2 4.34Å; I122-I133 HydrophobicContact CG2-CG1 4.21Å; V131-I133 HydrophobicContact CG1-CG1 4.12Å; I133-V135 HydrophobicContact CG2-CG2 4.38Å
134	V	51.9	Low	42.5	Very low	20 Å²	20	55.1 Å²	55.1	12%	0.121	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.7	177.9	-177	0	0	0	0	109.1	M120 T121 L132	M120-V134 CarbonylContact C-O 3.51Å; M120-V134 VanDerWaalsContact CA-O 3.3Å; M120-V134 WeakPolarHBondContact CA-O 3.27Å; T121-V134 PolarHBondContact N-O 2.76Å; T121-V134 PolarHBondContact O-N 3.42Å; L132-V134 HydrophobicContact CD1-CG2 4.1Å; L132-V134 HydrophobicContact CD2-CG2 4.38Å; L132-V134 HydrophobicContact CG-CG2 4.02Å
135	V	45.8	Very low	41.4	Very low	16 Å²	16	54.8 Å²	54.8	10%	0.097	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.2	172.6	-174.4	0	0	0	0	109.7	Y29 V30 W55 W118 Y119 M120 I133	Y29-V135 WeakPolarHBondContact CA-O 3.43Å; Y29-V135 WeakPolarHBondContact CD1-O 3.49Å; V30-V135 PolarHBondContact O-N 3.13Å; V30-V135 VanDerWaalsContact O-N 3.07Å; W55-V135 HydrophobicContact CH2-CG1 4.33Å; W118-V135 HydrophobicContact CE3-CG1 3.83Å; W118-V135 HydrophobicContact CZ3-CG1 4.11Å; Y119-V135 CarbonylContact O-C 3.51Å; Y119-V135 WeakPolarHBondContact O-CA 3.22Å; M120-V135 HydrophobicContact CB-CG2 4.35Å; M120-V135 HydrophobicContact CE-CG2 3.71Å; M120-V135 HydrophobicContact CG-CG2 4.08Å; I133-V135 HydrophobicContact CG2-CG2 4.38Å
136	Q	49.5	Very low	40.2	Very low	42 Å²	42	60.3 Å²	60.3	20%	0.196	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.5	-176.2	169.3	164.6	37.6	0	0	111.8	Y29 W118 Y119	Y29-Q136 HydrophobicContact CD1-CB 3.96Å; Y29-Q136 HydrophobicContact CD1-CG 4.34Å; Y29-Q136 HydrophobicContact CE1-CB 3.59Å; Y29-Q136 HydrophobicContact CE1-CG 3.48Å; Y29-Q136 VanDerWaalsContact CE1-CG 3.48Å; Y29-Q136 PolarHBondContact OH-NE2 3.49Å; W118-Q136 CarbonylContact C-O 3.58Å; W118-Q136 VanDerWaalsContact CA-O 3.31Å; W118-Q136 WeakPolarHBondContact CA-O 3.45Å; Y119-Q136 PolarHBondContact N-O 3.13Å; Y119-Q136 PolarHBondContact O-N 2.87Å
137	Q	47	Very low	39.3	Very low	35 Å²	35	56.9 Å²	56.9	16%	0.164	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	134	163.2	-167.5	180	-24	0	0	110.1	P28 I116 W118 S139	P28-Q137 HydrophobicContact CB-CB 4.44Å; I116-Q137 HydrophobicContact CG2-CG 3.64Å; W118-Q137 HydrophobicContact CD2-CB 4.13Å; W118-Q137 HydrophobicContact CD2-CG 4.31Å; W118-Q137 HydrophobicContact CE3-CB 3.85Å; W118-Q137 HydrophobicContact CH2-CB 3.87Å; W118-Q137 HydrophobicContact CH2-CG 4.34Å; W118-Q137 HydrophobicContact CZ2-CB 4.15Å; W118-Q137 HydrophobicContact CZ2-CG 4.12Å; W118-Q137 HydrophobicContact CZ3-CB 3.72Å; Q137-S139 PolarHBondContact NE2-OG 3.29Å; Q137-S139 PolarHBondContact O-N 3.02Å
138	R	48.8	Very low	38.4	Very low	148 Å²	148	52 Å²	52	56%	0.558	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-25.9	-176.5	-172	178.4	179.2	-176.6	0.6	114.6	I117 Y119	I117-R138 HydrophobicContact CB-CB 4.11Å; I117-R138 PolarHBondContact O-N 3.38Å; Y119-R138 HydrophobicContact CE2-CB 4.21Å; Y119-R138 HydrophobicContact CE2-CG 4.49Å
139	S	40.8	Very low	37.4	Very low	79 Å²	79	57.7 Å²	57.7	55%	0.552	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	16.9	-165.8	46.8	0	0	0	0	115.7	Q137	Q137-S139 PolarHBondContact NE2-OG 3.29Å; Q137-S139 PolarHBondContact O-N 3.02Å
140	V	31.1	Very low	36.6	Very low	45 Å²	45	59.7 Å²	59.7	27%	0.273	34%	0.335	S	S	.	.			trans	-131	125.8	-177.3	-176.2	0	0	0	0	113.6	P28 Y29	P28-V140 HydrophobicContact CB-CB 4.34Å; P28-V140 HydrophobicContact CB-CG2 3.84Å; P28-V140 HydrophobicContact CG-CB 3.46Å; P28-V140 VanDerWaalsContact CG-CB 3.46Å; P28-V140 HydrophobicContact CG-CG1 3.5Å; P28-V140 HydrophobicContact CG-CG2 3.51Å; Y29-V140 HydrophobicContact CE2-CG1 4.31Å; Y29-V140 PolarHBondContact OH-O 3.35Å
141	S	28.1	Very low	35.6	Very low	88 Å²	88	66.5 Å²	66.5	62%	0.615	37%	0.367	S	S	*	.			trans	-74	135.3	170	32	0	0	0	0	111.5	H157	S141-H157 WeakPolarHBondContact CA-O 3.25Å; S141-H157 WeakPolarHBondContact CB-O 3.4Å
142	V	29.7	Very low	34.6	Very low	15 Å²	15	66.9 Å²	66.9	9%	0.091	37%	0.372	C	S	.	.			trans	-103.2	144	-165.6	178.5	0	0	0	0	111.9	Y29 L154	Y29-V142 HydrophobicContact CE1-CG2 4.23Å; Y29-V142 HydrophobicContact CE2-CG2 3.66Å; Y29-V142 WeakPolarHBondContact OH-CG2 3.36Å; V142-L154 HydrophobicContact CG1-CB 4.12Å; V142-L154 HydrophobicContact CG1-CD2 4.48Å; V142-L154 WeakPolarHBondContact CG1-O 3.38Å
143	S	23.8	Very low	33.3	Very low	98 Å²	98	69.4 Å²	69.4	69%	0.685	39%	0.385	S	S	*	.			trans	-117.7	141.5	160.3	-59.4	0	0	0	0	109.2
144	A	24.7	Very low	32.2	Very low	60 Å²	60	69.1 Å²	69.1	50%	0.496	38%	0.384	S	S	.	.			trans	-51.4	148.1	-177.7	0	0	0	0	0	113	L153	A144-L153 HydrophobicContact CB-CD1 4.45Å
145	V	25	Very low	31	Very low	22 Å²	22	70 Å²	70	13%	0.133	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	115.9	-178	-174.7	0	0	0	0	109.3	A24 S26 I147 A152 L154	A24-V145 HydrophobicContact CB-CG1 3.96Å; S26-V145 WeakPolarHBondContact OG-CG2 3.3Å; V145-I147 PolarHBondContact O-N 2.99Å; V145-A152 CarbonylContact C-O 3.44Å; V145-A152 PolarHBondContact N-O 3.02Å; V145-A152 CarbonylContact O-C 3.54Å; V145-A152 WeakPolarHBondContact O-CB 3.42Å; V145-A152 PolarHBondContact O-N 2.92Å; V145-L154 HydrophobicContact CB-CB 4.48Å; V145-L154 HydrophobicContact CB-CD1 4.16Å; V145-L154 HydrophobicContact CG2-CB 4.19Å; V145-L154 HydrophobicContact CG2-CD1 4.34Å
146	K	24.1	Very low	29.9	Very low	135 Å²	135	72.7 Å²	72.7	59%	0.587	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	121.4	171.5	-168.3	175.3	179.4	176.8	0	109.5	G148 F150 E151	K146-G148 WeakPolarHBondContact CE-O 3.41Å; K146-G148 WeakPolarHBondContact CG-O 3.49Å; K146-F150 CarbonylContact C-O 3.59Å; K146-F150 WeakPolarHBondContact CA-O 3.36Å; K146-F150 WeakPolarHBondContact CG-O 3.18Å; K146-E151 HydrophobicContact CG-CG 4.36Å
147	I	27.7	Very low	28.7	Very low	19 Å²	19	74.4 Å²	74.4	10%	0.097	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	97.7	175.6	-63.8	-178.7	0	0	0	106.8	I22 I33 V145 F150 A152	I22-I147 HydrophobicContact CB-CG2 4.24Å; I22-I147 HydrophobicContact CD1-CG2 3.46Å; I22-I147 VanDerWaalsContact CD1-CG2 3.46Å; I22-I147 HydrophobicContact CG1-CG2 4.44Å; I22-I147 HydrophobicContact CG2-CG2 4.05Å; I33-I147 HydrophobicContact CD1-CD1 3.79Å; I33-I147 HydrophobicContact CD1-CG2 4.32Å; V145-I147 PolarHBondContact O-N 2.99Å; I147-F150 CarbonylContact C-O 3.52Å; I147-F150 PolarHBondContact N-O 3.19Å; I147-F150 WeakPolarHBondContact O-CB 3.48Å; I147-F150 PolarHBondContact O-N 3.37Å; I147-F150 VanDerWaalsContact O-N 3.15Å; I147-F150 VanDerWaalsContact O-O 3.06Å; I147-A152 HydrophobicContact CB-CB 4.07Å; I147-A152 HydrophobicContact CD1-CB 3.54Å; I147-A152 HydrophobicContact CG1-CB 3.71Å
148	G	29.4	Very low	27.5	Very low	45 Å²	45	76.5 Å²	76.5	46%	0.464	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	-140.4	-176.4	0	0	0	0	0	113	K146 F150	K146-G148 WeakPolarHBondContact CE-O 3.41Å; K146-G148 WeakPolarHBondContact CG-O 3.49Å; G148-F150 PolarHBondContact O-N 3.27Å
149	D	26.4	Very low	26.2	Very low	150 Å²	150	76 Å²	76	80%	0.802	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-6.9	170.7	-71.4	-27.1	0	0	0	112.9
150	F	26	Very low	25.3	Very low	152 Å²	152	78.8 Å²	78.8	67%	0.667	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	125.8	-174.4	-50.3	-83.1	0	0	0	110.5	K146 I147 G148 A152	K146-F150 CarbonylContact C-O 3.59Å; K146-F150 WeakPolarHBondContact CA-O 3.36Å; K146-F150 WeakPolarHBondContact CG-O 3.18Å; I147-F150 CarbonylContact C-O 3.52Å; I147-F150 PolarHBondContact N-O 3.19Å; I147-F150 WeakPolarHBondContact O-CB 3.48Å; I147-F150 PolarHBondContact O-N 3.37Å; I147-F150 VanDerWaalsContact O-N 3.15Å; I147-F150 VanDerWaalsContact O-O 3.06Å; G148-F150 PolarHBondContact O-N 3.27Å; F150-A152 VanDerWaalsContact C-N 3.33Å; F150-A152 PolarHBondContact O-N 3.33Å
151	E	22.7	Very low	25	Very low	167 Å²	167	82.3 Å²	82.3	78%	0.78	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	91.3	161.8	-73.6	-175.3	158.6	0	0	108.2	K146 L153	K146-E151 HydrophobicContact CG-CG 4.36Å; E151-L153 PolarHBondContact O-N 2.84Å
152	A	25.8	Very low	24.9	Very low	22 Å²	22	84.1 Å²	84.1	18%	0.182	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	104.7	164.1	0	0	0	0	0	106.7	V145 I147 F150 L154	V145-A152 CarbonylContact C-O 3.44Å; V145-A152 PolarHBondContact N-O 3.02Å; V145-A152 CarbonylContact O-C 3.54Å; V145-A152 WeakPolarHBondContact O-CB 3.42Å; V145-A152 PolarHBondContact O-N 2.92Å; I147-A152 HydrophobicContact CB-CB 4.07Å; I147-A152 HydrophobicContact CD1-CB 3.54Å; I147-A152 HydrophobicContact CG1-CB 3.71Å; F150-A152 VanDerWaalsContact C-N 3.33Å; F150-A152 PolarHBondContact O-N 3.33Å; A152-L154 PolarHBondContact O-N 3.38Å
153	L	23.4	Very low	24.5	Very low	77 Å²	77	92.3 Å²	92.3	40%	0.403	52%	0.519	S	S	.	.			trans	-63.9	88.8	173.3	-163.5	85.6	0	0	0	108	A144 E151 L155 M191	A144-L153 HydrophobicContact CB-CD1 4.45Å; E151-L153 PolarHBondContact O-N 2.84Å; L153-L155 HydrophobicContact CD2-CD2 3.66Å; L153-L155 HydrophobicContact CG-CD2 4.34Å; L153-L155 PolarHBondContact O-N 2.94Å; L153-M191 HydrophobicContact CB-CE 4.06Å; L153-M191 HydrophobicContact CB-SD 4.24Å; L153-M191 HydrophobicContact CD2-CE 3.87Å; L153-M191 HydrophobicContact CD2-SD 4.22Å
154	L	24.1	Very low	24.5	Very low	17 Å²	17	97.7 Å²	97.7	9%	0.089	53%	0.53	C	S	.	.			trans	-75	115.1	168.6	-115.8	101.7	0	0	0	107.9	I31 V142 V145 A152 C156	I31-L154 HydrophobicContact CD1-CD1 3.16Å; I31-L154 HydrophobicContact CD1-CD2 3.36Å; I31-L154 HydrophobicContact CD1-CG 3.75Å; V142-L154 HydrophobicContact CG1-CB 4.12Å; V142-L154 HydrophobicContact CG1-CD2 4.48Å; V142-L154 WeakPolarHBondContact CG1-O 3.38Å; V145-L154 HydrophobicContact CB-CB 4.48Å; V145-L154 HydrophobicContact CB-CD1 4.16Å; V145-L154 HydrophobicContact CG2-CB 4.19Å; V145-L154 HydrophobicContact CG2-CD1 4.34Å; A152-L154 PolarHBondContact O-N 3.38Å; L154-C156 PolarHBondContact O-N 2.73Å
155	L	27	Very low	24.3	Very low	39 Å²	39	100.6 Å²	100.6	20%	0.204	55%	0.547	C	S	.	.			trans	-74.1	123.2	-156.1	-70.4	156.7	0	0	0	112.2	L153 K184 L188	L153-L155 HydrophobicContact CD2-CD2 3.66Å; L153-L155 HydrophobicContact CG-CD2 4.34Å; L153-L155 PolarHBondContact O-N 2.94Å; L155-K184 HydrophobicContact CB-CB 4.32Å; L155-K184 HydrophobicContact CB-CD 4.17Å; L155-K184 HydrophobicContact CB-CG 4.32Å; L155-K184 HydrophobicContact CD1-CB 3.54Å; L155-K184 HydrophobicContact CD1-CG 4.19Å; L155-K184 WeakPolarHBondContact CD1-O 3.33Å; L155-K184 HydrophobicContact CG-CB 4.43Å; L155-L188 HydrophobicContact CD1-CB 4.36Å; L155-L188 HydrophobicContact CD1-CD1 3.64Å; L155-L188 HydrophobicContact CD1-CG 3.9Å; L155-L188 HydrophobicContact CG-CD1 4.37Å
156	C	22.4	Very low	24.3	Very low	71 Å²	71	103.1 Å²	103.1	48%	0.48	58%	0.577	S	S	.	*			trans	-54.8	139.7	180	-55.1	0	0	0	0	112.8	L154 K184	L154-C156 PolarHBondContact O-N 2.73Å; C156-K184 PolarHBondContact O-NZ 2.99Å
157	H	24.5	Very low	24.2	Very low	79 Å²	79	106.1 Å²	106.1	37%	0.366	59%	0.593	S	S	.	*			trans	-124.1	98.1	146.2	-173.9	-80.9	0	0	0	105.9	S141 D159	S141-H157 WeakPolarHBondContact CA-O 3.25Å; S141-H157 WeakPolarHBondContact CB-O 3.4Å; H157-D159 IonicContact CE1-OD1 3.08Å; H157-D159 PolarHBondContact CE1-OD1 2.88Å; H157-D159 IonicContact CE1-OD2 3.64Å; H157-D159 IonicContact NE2-OD1 2.63Å
158	A	22.1	Very low	24	Very low	79 Å²	79	109 Å²	109	65%	0.653	61%	0.612	S	S	*	*			trans	-95.1	134.3	138.2	0	0	0	0	0	103.9	D160	A158-D160 PolarHBondContact O-N 2.82Å
159	D	22.6	Very low	23.7	Very low	138 Å²	138	114 Å²	114	74%	0.738	63%	0.634	S	S	*	*			trans	-48.2	103.6	172	-75	-73.9	0	0	0	109.2	H157	H157-D159 IonicContact CE1-OD1 3.08Å; H157-D159 PolarHBondContact CE1-OD1 2.88Å; H157-D159 IonicContact CE1-OD2 3.64Å; H157-D159 IonicContact NE2-OD1 2.63Å
160	D	20.9	Very low	23.8	Very low	137 Å²	137	108.9 Å²	108.9	73%	0.733	61%	0.608	S	S	*	*			trans	-118.4	112.7	168.1	-133.3	-14.5	0	0	0	107.1	A158 V162	A158-D160 PolarHBondContact O-N 2.82Å; D160-V162 HydrophobicContact CB-CG2 4.35Å; D160-V162 PolarHBondContact O-N 2.89Å
161	P	25.4	Very low	23.8	Very low	119 Å²	119	107.3 Å²	107.3	77%	0.773	61%	0.606	S	S	*	*			trans	-75.1	80.7	-176.9	29.6	-32.1	0	0	0	108.9	K163	P161-K163 PolarHBondContact O-N 3.41Å
162	V	25.2	Very low	24.1	Very low	126 Å²	126	105.1 Å²	105.1	76%	0.764	61%	0.609	S	S	*	*			trans	-81.2	117.5	-179.3	-176.3	0	0	0	0	110.6	D160	D160-V162 HydrophobicContact CB-CG2 4.35Å; D160-V162 PolarHBondContact O-N 2.89Å
163	K	21	Very low	24.3	Very low	187 Å²	187	109.4 Å²	109.4	81%	0.813	63%	0.634	S	S	*	*			trans	-44.7	138.2	170.6	-69.3	168.7	175.2	173.4	0	112.5	P161 S165	P161-K163 PolarHBondContact O-N 3.41Å; K163-S165 PolarHBondContact O-N 3.29Å
164	K	23.5	Very low	24.9	Very low	210 Å²	210	107 Å²	107	91%	0.913	62%	0.621	S	S	*	*			trans	-41.5	118	166.3	-63.8	172.9	174.9	178.7	0	112.5
165	S	22.1	Very low	25.7	Very low	121 Å²	121	108.6 Å²	108.6	85%	0.846	63%	0.634	S	S	*	*			trans	-168.4	138.2	143.9	54.5	0	0	0	0	111.1	K163	K163-S165 PolarHBondContact O-N 3.29Å
166	G	23.1	Very low	26.4	Very low	75 Å²	75	114.4 Å²	114.4	77%	0.773	66%	0.66	S	S	*	*			trans	109.1	105.8	164.1	0	0	0	0	0	115.2	T168	G166-T168 PolarHBondContact O-N 3.42Å
167	H	22.5	Very low	27	Very low	199 Å²	199	113.8 Å²	113.8	92%	0.921	66%	0.655	S	S	*	*			trans	-61.3	117.7	179.6	-76.1	-70.3	0	0	0	113.4
168	T	24.5	Very low	27.6	Very low	79 Å²	79	111.7 Å²	111.7	49%	0.485	65%	0.645	S	S	.	*			trans	-126.2	124	145.5	21	0	0	0	0	106.9	G166 V170 H183	G166-T168 PolarHBondContact O-N 3.42Å; T168-V170 PolarHBondContact O-N 2.77Å; T168-H183 PolarHBondContact OG1-NE2 3.46Å
169	T	22.4	Very low	28.3	Very low	150 Å²	150	110.6 Å²	110.6	92%	0.92	63%	0.628	S	S	*	*			trans	-71.1	78.3	173.1	39	0	0	0	0	108.8
170	V	28.6	Very low	29.1	Very low	43 Å²	43	108 Å²	108	26%	0.261	61%	0.613	S	S	.	*			trans	-86.3	135.5	168.9	-174.5	0	0	0	0	107.4	T168 S172 L174 L179	T168-V170 PolarHBondContact O-N 2.77Å; V170-S172 PolarHBondContact O-N 3.21Å; V170-S172 VanDerWaalsContact O-N 3.17Å; V170-L174 HydrophobicContact CG1-CD1 3.96Å; V170-L179 HydrophobicContact CB-CD1 3.55Å; V170-L179 HydrophobicContact CB-CG 3.98Å; V170-L179 HydrophobicContact CG1-CD1 3.64Å; V170-L179 HydrophobicContact CG1-CG 3.83Å; V170-L179 HydrophobicContact CG2-CD1 4.14Å; V170-L179 HydrophobicContact CG2-CD2 4.47Å; V170-L179 HydrophobicContact CG2-CG 4.11Å
171	D	26.1	Very low	30.1	Very low	118 Å²	118	102.8 Å²	102.8	63%	0.631	59%	0.585	S	S	*	*			trans	-43.4	119.6	-179.3	-131.7	-23.6	0	0	0	110.9	T173 L174	D171-T173 PolarHBondContact O-N 2.76Å; D171-L174 PolarHBondContact O-N 3.27Å
172	S	28.3	Very low	30.7	Very low	121 Å²	121	97.9 Å²	97.9	85%	0.846	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	3.4	-169.8	53.3	0	0	0	0	114.4	V170	V170-S172 PolarHBondContact O-N 3.21Å; V170-S172 VanDerWaalsContact O-N 3.17Å
173	T	31.5	Very low	31.4	Very low	113 Å²	113	95.8 Å²	95.8	69%	0.693	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-10.4	178.5	56.2	0	0	0	0	113.4	D171	D171-T173 PolarHBondContact O-N 2.76Å
174	L	34.4	Very low	32.3	Very low	25 Å²	25	89.7 Å²	89.7	13%	0.131	51%	0.508	C	S	.	.	S	Bend	trans	-84.6	130.5	178	-64.5	178.5	0	0	0	110.3	A87 V170 D171 E178 N182	A87-L174 HydrophobicContact CB-CD2 3.76Å; V170-L174 HydrophobicContact CG1-CD1 3.96Å; D171-L174 PolarHBondContact O-N 3.27Å; L174-E178 WeakPolarHBondContact CA-OE2 3.39Å; L174-E178 HydrophobicContact CB-CB 3.91Å; L174-E178 HydrophobicContact CD2-CB 3.99Å; L174-E178 HydrophobicContact CG-CB 4.39Å; L174-N182 WeakPolarHBondContact CD1-ND2 3.36Å
175	S	41.5	Very low	33.1	Very low	52 Å²	52	80 Å²	80	36%	0.364	47%	0.466	S	S	.	.			trans	-60.6	151.8	168.5	63.7	0	0	0	0	110.2	P177 E178 L179	S175-P177 VanDerWaalsContact O-N 3.09Å; S175-E178 WeakPolarHBondContact CB-OE2 3.41Å; S175-E178 PolarHBondContact N-OE2 2.98Å; S175-E178 WeakPolarHBondContact O-CA 3.31Å; S175-E178 WeakPolarHBondContact O-CB 3.3Å; S175-E178 PolarHBondContact O-N 2.95Å; S175-E178 WeakPolarHBondContact OG-CG 3.47Å; S175-E178 PolarHBondContact OG-OE2 3.29Å; S175-L179 PolarHBondContact O-N 3.02Å
176	Q	40.9	Very low	33.9	Very low	161 Å²	161	75.5 Å²	75.5	75%	0.752	43%	0.434	S	S	*	.	H	α-helix	trans	-44.9	-42.1	176.9	-104.1	-168.4	-14	0	0	114.1	E178 L179 L180	Q176-E178 VanDerWaalsContact C-N 3.34Å; Q176-E178 PolarHBondContact O-N 3.32Å; Q176-L179 PolarHBondContact O-N 3.34Å; Q176-L180 WeakPolarHBondContact O-CB 3.44Å; Q176-L180 VanDerWaalsContact O-CG 3.28Å; Q176-L180 WeakPolarHBondContact O-CG 3.29Å; Q176-L180 PolarHBondContact O-N 3.24Å
177	P	36.4	Very low	34.5	Very low	57 Å²	57	74.6 Å²	74.6	37%	0.37	42%	0.416	S	S	.	.	H	α-helix	trans	-60.8	-38.6	174.8	-25.2	35.1	0	0	0	113.8	S175 L181	S175-P177 VanDerWaalsContact O-N 3.09Å; P177-L181 VanDerWaalsContact O-CB 3.23Å; P177-L181 WeakPolarHBondContact O-CB 3.29Å; P177-L181 PolarHBondContact O-N 3.26Å
178	E	35.9	Very low	35.4	Very low	36 Å²	36	66.9 Å²	66.9	17%	0.168	38%	0.381	C	S	.	.	H	α-helix	trans	-72.8	-36.4	179.2	-69	163.8	153.3	0	0	111.6	Y119 L174 S175 Q176 L181 N182	Y119-E178 HydrophobicContact CE1-CG 4.46Å; L174-E178 WeakPolarHBondContact CA-OE2 3.39Å; L174-E178 HydrophobicContact CB-CB 3.91Å; L174-E178 HydrophobicContact CD2-CB 3.99Å; L174-E178 HydrophobicContact CG-CB 4.39Å; S175-E178 WeakPolarHBondContact CB-OE2 3.41Å; S175-E178 PolarHBondContact N-OE2 2.98Å; S175-E178 WeakPolarHBondContact O-CA 3.31Å; S175-E178 WeakPolarHBondContact O-CB 3.3Å; S175-E178 PolarHBondContact O-N 2.95Å; S175-E178 WeakPolarHBondContact OG-CG 3.47Å; S175-E178 PolarHBondContact OG-OE2 3.29Å; Q176-E178 VanDerWaalsContact C-N 3.34Å; Q176-E178 PolarHBondContact O-N 3.32Å; E178-L181 PolarHBondContact O-N 2.84Å; E178-N182 WeakPolarHBondContact O-CB 3.32Å; E178-N182 PolarHBondContact O-N 2.79Å
179	L	36.8	Very low	36	Very low	55 Å²	55	63.4 Å²	63.4	29%	0.288	36%	0.36	S	S	.	.	H	α-helix	trans	-65.9	-40.7	174.6	-161	137.5	0	0	0	111.4	V170 S175 Q176 H183	V170-L179 HydrophobicContact CB-CD1 3.55Å; V170-L179 HydrophobicContact CB-CG 3.98Å; V170-L179 HydrophobicContact CG1-CD1 3.64Å; V170-L179 HydrophobicContact CG1-CG 3.83Å; V170-L179 HydrophobicContact CG2-CD1 4.14Å; V170-L179 HydrophobicContact CG2-CD2 4.47Å; V170-L179 HydrophobicContact CG2-CG 4.11Å; S175-L179 PolarHBondContact O-N 3.02Å; Q176-L179 PolarHBondContact O-N 3.34Å; L179-H183 PolarHBondContact O-CD2 2.73Å; L179-H183 PolarHBondContact O-N 3.4Å
180	L	40.6	Very low	36.5	Very low	83 Å²	83	59 Å²	59	44%	0.435	33%	0.333	S	S	.	.	H	α-helix	trans	-70.5	-40	174.6	-72	168.5	0	0	0	112.1	Q176 N182 H183 K184	Q176-L180 WeakPolarHBondContact O-CB 3.44Å; Q176-L180 VanDerWaalsContact O-CG 3.28Å; Q176-L180 WeakPolarHBondContact O-CG 3.29Å; Q176-L180 PolarHBondContact O-N 3.24Å; L180-N182 VanDerWaalsContact C-N 3.32Å; L180-H183 PolarHBondContact O-N 2.88Å; L180-K184 WeakPolarHBondContact O-CB 2.93Å; L180-K184 WeakPolarHBondContact O-CG 3.34Å; L180-K184 PolarHBondContact O-N 2.86Å
181	L	41.8	Very low	36.6	Very low	28 Å²	28	60.1 Å²	60.1	15%	0.147	34%	0.336	C	S	.	.	H	α-helix	trans	-61.3	-43	173.7	-179.2	65.6	0	0	0	110.4	T100 P177 E178 K184 L185	T100-L181 HydrophobicContact CG2-CD2 4Å; P177-L181 VanDerWaalsContact O-CB 3.23Å; P177-L181 WeakPolarHBondContact O-CB 3.29Å; P177-L181 PolarHBondContact O-N 3.26Å; E178-L181 PolarHBondContact O-N 2.84Å; L181-K184 PolarHBondContact O-N 2.87Å; L181-L185 HydrophobicContact CD1-CD1 4.04Å; L181-L185 HydrophobicContact CD1-CG 4.07Å; L181-L185 HydrophobicContact CD2-CD1 4.39Å; L181-L185 HydrophobicContact CG-CD1 3.76Å; L181-L185 HydrophobicContact CG-CG 4.23Å; L181-L185 WeakPolarHBondContact O-CB 3.33Å; L181-L185 VanDerWaalsContact O-CG 3.22Å; L181-L185 WeakPolarHBondContact O-CG 3.44Å; L181-L185 PolarHBondContact O-N 3.27Å
182	N	38.5	Very low	37	Very low	17 Å²	17	57.1 Å²	57.1	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-63.1	-48.5	175.2	-86.2	-20.1	0	0	0	112.5	S89 L174 E178 L180 K184 L185 T186	S89-N182 WeakPolarHBondContact CB-ND2 3.06Å; S89-N182 PolarHBondContact OG-ND2 3.18Å; L174-N182 WeakPolarHBondContact CD1-ND2 3.36Å; E178-N182 WeakPolarHBondContact O-CB 3.32Å; E178-N182 PolarHBondContact O-N 2.79Å; L180-N182 VanDerWaalsContact C-N 3.32Å; N182-K184 PolarHBondContact O-N 3.43Å; N182-L185 PolarHBondContact O-N 2.83Å; N182-T186 VanDerWaalsContact O-CB 3.31Å; N182-T186 WeakPolarHBondContact O-CB 3.21Å; N182-T186 PolarHBondContact O-N 2.96Å; N182-T186 PolarHBondContact O-OG1 2.81Å
183	H	38.5	Very low	37.1	Very low	82 Å²	82	53 Å²	53	38%	0.38	29%	0.291	S	S	.	.	H	α-helix	trans	-56.1	-40	173.8	-96.2	-79.2	0	0	0	111.8	T168 L179 L180 T186 S187	T168-H183 PolarHBondContact OG1-NE2 3.46Å; L179-H183 PolarHBondContact O-CD2 2.73Å; L179-H183 PolarHBondContact O-N 3.4Å; L180-H183 PolarHBondContact O-N 2.88Å; H183-T186 WeakPolarHBondContact O-CB 3.42Å; H183-S187 PolarHBondContact O-N 2.9Å; H183-S187 PolarHBondContact O-OG 3.43Å
184	K	40.9	Very low	36.9	Very low	58 Å²	58	52.2 Å²	52.2	25%	0.252	28%	0.282	S	S	.	.	H	α-helix	trans	-71.3	-47.2	-179.5	-78.6	176.4	-174.5	-169.6	0	112.9	L155 C156 L180 L181 N182 T186 S187 L188	L155-K184 HydrophobicContact CB-CB 4.32Å; L155-K184 HydrophobicContact CB-CD 4.17Å; L155-K184 HydrophobicContact CB-CG 4.32Å; L155-K184 HydrophobicContact CD1-CB 3.54Å; L155-K184 HydrophobicContact CD1-CG 4.19Å; L155-K184 WeakPolarHBondContact CD1-O 3.33Å; L155-K184 HydrophobicContact CG-CB 4.43Å; C156-K184 PolarHBondContact O-NZ 2.99Å; L180-K184 WeakPolarHBondContact O-CB 2.93Å; L180-K184 WeakPolarHBondContact O-CG 3.34Å; L180-K184 PolarHBondContact O-N 2.86Å; L181-K184 PolarHBondContact O-N 2.87Å; N182-K184 PolarHBondContact O-N 3.43Å; K184-T186 VanDerWaalsContact C-N 3.25Å; K184-T186 PolarHBondContact O-N 3.14Å; K184-S187 WeakPolarHBondContact O-CA 3.37Å; K184-S187 WeakPolarHBondContact O-CB 3.01Å; K184-S187 PolarHBondContact O-N 2.77Å; K184-L188 PolarHBondContact O-N 3.21Å
185	L	40.2	Very low	36.7	Very low	6 Å²	6	55.8 Å²	55.8	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-36.4	174.9	-69.6	168.9	0	0	0	111.2	Y91 T121 L123 L181 N182 L188 A189	Y91-L185 HydrophobicContact CD1-CB 4.25Å; Y91-L185 HydrophobicContact CE1-CB 3.62Å; Y91-L185 HydrophobicContact CE1-CD1 3.89Å; Y91-L185 HydrophobicContact CE1-CG 4.46Å; Y91-L185 WeakPolarHBondContact OH-CD1 3.41Å; T121-L185 HydrophobicContact CG2-CD1 3.4Å; T121-L185 VanDerWaalsContact CG2-CD1 3.4Å; T121-L185 HydrophobicContact CG2-CD2 4.07Å; T121-L185 HydrophobicContact CG2-CG 4.37Å; L123-L185 HydrophobicContact CD1-CD2 4Å; L181-L185 HydrophobicContact CD1-CD1 4.04Å; L181-L185 HydrophobicContact CD1-CG 4.07Å; L181-L185 HydrophobicContact CD2-CD1 4.39Å; L181-L185 HydrophobicContact CG-CD1 3.76Å; L181-L185 HydrophobicContact CG-CG 4.23Å; L181-L185 WeakPolarHBondContact O-CB 3.33Å; L181-L185 VanDerWaalsContact O-CG 3.22Å; L181-L185 WeakPolarHBondContact O-CG 3.44Å; L181-L185 PolarHBondContact O-N 3.27Å; N182-L185 PolarHBondContact O-N 2.83Å; L185-L188 WeakPolarHBondContact O-CB 3.15Å; L185-L188 PolarHBondContact O-N 2.77Å; L185-A189 WeakPolarHBondContact O-CB 3.19Å; L185-A189 PolarHBondContact O-N 2.69Å
186	T	38.5	Very low	36.2	Very low	28 Å²	28	57.7 Å²	57.7	17%	0.172	30%	0.304	C	S	.	.	H	α-helix	trans	-59.2	-47.4	168.8	-61.3	0	0	0	0	110.1	I93 N182 H183 K184 L188 A189 V190	I93-T186 HydrophobicContact CD1-CG2 3.78Å; I93-T186 WeakPolarHBondContact CD1-O 2.8Å; I93-T186 HydrophobicContact CG1-CG2 3.99Å; N182-T186 VanDerWaalsContact O-CB 3.31Å; N182-T186 WeakPolarHBondContact O-CB 3.21Å; N182-T186 PolarHBondContact O-N 2.96Å; N182-T186 PolarHBondContact O-OG1 2.81Å; H183-T186 WeakPolarHBondContact O-CB 3.42Å; K184-T186 VanDerWaalsContact C-N 3.25Å; K184-T186 PolarHBondContact O-N 3.14Å; T186-L188 VanDerWaalsContact C-N 3.29Å; T186-L188 PolarHBondContact O-N 3.41Å; T186-A189 PolarHBondContact O-N 2.8Å; T186-V190 HydrophobicContact CG2-CG2 4.18Å; T186-V190 VanDerWaalsContact O-CB 3.3Å; T186-V190 WeakPolarHBondContact O-CB 3.31Å; T186-V190 VanDerWaalsContact O-CG2 3.24Å; T186-V190 WeakPolarHBondContact O-CG2 3.49Å; T186-V190 PolarHBondContact O-N 2.76Å
187	S	36.3	Very low	35.5	Very low	56 Å²	56	53.4 Å²	53.4	39%	0.392	29%	0.289	S	S	.	.	H	α-helix	trans	-58.4	-37.4	174.4	-59.5	0	0	0	0	113.6	H183 K184 M191	H183-S187 PolarHBondContact O-N 2.9Å; H183-S187 PolarHBondContact O-OG 3.43Å; K184-S187 WeakPolarHBondContact O-CA 3.37Å; K184-S187 WeakPolarHBondContact O-CB 3.01Å; K184-S187 PolarHBondContact O-N 2.77Å; S187-M191 WeakPolarHBondContact O-CB 3.22Å; S187-M191 VanDerWaalsContact O-CE 3.29Å; S187-M191 WeakPolarHBondContact O-CE 3.23Å; S187-M191 VanDerWaalsContact O-CG 3.29Å; S187-M191 WeakPolarHBondContact O-CG 3.37Å; S187-M191 PolarHBondContact O-N 2.84Å
188	L	40.7	Very low	35.1	Very low	36 Å²	36	57 Å²	57	19%	0.188	31%	0.311	C	S	.	.	H	α-helix	trans	-65.2	-48.1	176.3	-111	159.4	0	0	0	112.3	L155 K184 L185 T186 M191 K192	L155-L188 HydrophobicContact CD1-CB 4.36Å; L155-L188 HydrophobicContact CD1-CD1 3.64Å; L155-L188 HydrophobicContact CD1-CG 3.9Å; L155-L188 HydrophobicContact CG-CD1 4.37Å; K184-L188 PolarHBondContact O-N 3.21Å; L185-L188 WeakPolarHBondContact O-CB 3.15Å; L185-L188 PolarHBondContact O-N 2.77Å; T186-L188 VanDerWaalsContact C-N 3.29Å; T186-L188 PolarHBondContact O-N 3.41Å; L188-M191 PolarHBondContact O-N 3.17Å; L188-K192 PolarHBondContact O-N 3.36Å
189	A	37.2	Very low	34.7	Very low	6 Å²	6	58.5 Å²	58.5	5%	0.05	34%	0.337	C	S	.	.	H	α-helix	trans	-71.5	-31.5	178.6	0	0	0	0	0	111.7	I93 V96 L185 T186 K192 A193	I93-A189 HydrophobicContact CD1-CB 3.15Å; I93-A189 HydrophobicContact CG1-CB 4.46Å; V96-A189 HydrophobicContact CB-CB 4.2Å; V96-A189 HydrophobicContact CG1-CB 3.81Å; V96-A189 HydrophobicContact CG2-CB 3.97Å; L185-A189 WeakPolarHBondContact O-CB 3.19Å; L185-A189 PolarHBondContact O-N 2.69Å; T186-A189 PolarHBondContact O-N 2.8Å; A189-K192 PolarHBondContact O-N 3.02Å; A189-A193 VanDerWaalsContact O-CB 3.22Å; A189-A193 WeakPolarHBondContact O-CB 3.44Å; A189-A193 PolarHBondContact O-N 3.39Å
190	V	32.3	Very low	34.1	Very low	58 Å²	58	59.9 Å²	59.9	35%	0.352	35%	0.345	S	S	.	.	H	α-helix	trans	-66.4	-45.4	169.9	167.9	0	0	0	0	110.1	I93 T186 K192 A193 L194	I93-V190 HydrophobicContact CD1-CB 4.5Å; I93-V190 HydrophobicContact CD1-CG2 3.72Å; I93-V190 HydrophobicContact CG1-CG2 3.73Å; T186-V190 HydrophobicContact CG2-CG2 4.18Å; T186-V190 VanDerWaalsContact O-CB 3.3Å; T186-V190 WeakPolarHBondContact O-CB 3.31Å; T186-V190 VanDerWaalsContact O-CG2 3.24Å; T186-V190 WeakPolarHBondContact O-CG2 3.49Å; T186-V190 PolarHBondContact O-N 2.76Å; V190-K192 VanDerWaalsContact C-N 3.31Å; V190-K192 PolarHBondContact O-N 2.61Å; V190-A193 PolarHBondContact O-N 2.82Å; V190-L194 HydrophobicContact CG1-CD1 3.63Å; V190-L194 HydrophobicContact CG1-CG 4.12Å; V190-L194 VanDerWaalsContact O-CB 3.28Å; V190-L194 WeakPolarHBondContact O-CB 3.04Å; V190-L194 VanDerWaalsContact O-CG 3.25Å; V190-L194 WeakPolarHBondContact O-CG 3.36Å; V190-L194 PolarHBondContact O-N 2.89Å
191	M	32	Very low	33.3	Very low	66 Å²	66	62.2 Å²	62.2	33%	0.325	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-43.5	176.5	-82.1	-176.5	-77.3	0	0	110.8	L153 S187 L188 L194 L195	L153-M191 HydrophobicContact CB-CE 4.06Å; L153-M191 HydrophobicContact CB-SD 4.24Å; L153-M191 HydrophobicContact CD2-CE 3.87Å; L153-M191 HydrophobicContact CD2-SD 4.22Å; S187-M191 WeakPolarHBondContact O-CB 3.22Å; S187-M191 VanDerWaalsContact O-CE 3.29Å; S187-M191 WeakPolarHBondContact O-CE 3.23Å; S187-M191 VanDerWaalsContact O-CG 3.29Å; S187-M191 WeakPolarHBondContact O-CG 3.37Å; S187-M191 PolarHBondContact O-N 2.84Å; L188-M191 PolarHBondContact O-N 3.17Å; M191-L194 PolarHBondContact O-N 2.75Å; M191-L195 WeakPolarHBondContact O-CB 3.45Å; M191-L195 VanDerWaalsContact O-CD1 3.3Å; M191-L195 WeakPolarHBondContact O-CD1 3.42Å; M191-L195 WeakPolarHBondContact O-CG 3.28Å; M191-L195 PolarHBondContact O-N 3Å
192	K	34.6	Very low	32.5	Very low	55 Å²	55	66.5 Å²	66.5	24%	0.239	39%	0.39	C	S	.	.	H	α-helix	trans	-70.1	-38.9	178.1	-165.8	162.2	179.3	-178.2	0	113	I125 E130 L188 A189 V190 L195 H196	I125-K192 HydrophobicContact CD1-CD 3.63Å; I125-K192 HydrophobicContact CD1-CG 4.41Å; E130-K192 IonicContact OE1-NZ 2.69Å; E130-K192 PolarHBondContact OE1-NZ 2.93Å; E130-K192 WeakPolarHBondContact OE2-CE 3.3Å; E130-K192 IonicContact OE2-NZ 2.61Å; E130-K192 PolarHBondContact OE2-NZ 2.95Å; L188-K192 PolarHBondContact O-N 3.36Å; A189-K192 PolarHBondContact O-N 3.02Å; V190-K192 VanDerWaalsContact C-N 3.31Å; V190-K192 PolarHBondContact O-N 2.61Å; K192-L195 PolarHBondContact O-N 3.49Å; K192-H196 WeakPolarHBondContact O-CB 2.86Å; K192-H196 PolarHBondContact O-N 3.45Å; K192-H196 PolarHBondContact O-ND1 2.98Å
193	A	30.4	Very low	31.7	Very low	36 Å²	36	69 Å²	69	30%	0.298	42%	0.419	S	S	.	.	H	α-helix	trans	-64.3	-42.3	173.9	0	0	0	0	0	111.9	I93 A189 V190 L195 H196 V197	I93-A193 HydrophobicContact CG2-CB 4.45Å; A189-A193 VanDerWaalsContact O-CB 3.22Å; A189-A193 WeakPolarHBondContact O-CB 3.44Å; A189-A193 PolarHBondContact O-N 3.39Å; V190-A193 PolarHBondContact O-N 2.82Å; A193-L195 VanDerWaalsContact C-N 3.27Å; A193-L195 PolarHBondContact O-N 2.76Å; A193-H196 PolarHBondContact O-N 2.78Å; A193-V197 WeakPolarHBondContact O-CG2 3.4Å; A193-V197 PolarHBondContact O-N 3.31Å
194	L	25.8	Very low	31.1	Very low	95 Å²	95	70 Å²	70	50%	0.497	44%	0.441	S	S	.	.	H	α-helix	trans	-64.1	-30.9	175.1	-76.1	171.9	0	0	0	112.8	V190 M191 N200	V190-L194 HydrophobicContact CG1-CD1 3.63Å; V190-L194 HydrophobicContact CG1-CG 4.12Å; V190-L194 VanDerWaalsContact O-CB 3.28Å; V190-L194 WeakPolarHBondContact O-CB 3.04Å; V190-L194 VanDerWaalsContact O-CG 3.25Å; V190-L194 WeakPolarHBondContact O-CG 3.36Å; V190-L194 PolarHBondContact O-N 2.89Å; M191-L194 PolarHBondContact O-N 2.75Å; L194-N200 WeakPolarHBondContact O-CB 3.37Å; L194-N200 PolarHBondContact O-ND2 3.02Å; L194-N200 VanDerWaalsContact O-ND2 3.09Å
195	L	30.8	Very low	30.2	Very low	101 Å²	101	70 Å²	70	53%	0.529	46%	0.458	S	S	.	.	H	α-helix	trans	-81.1	-23.6	176	-70.6	165.8	0	0	0	113	M191 K192 A193 V202	M191-L195 WeakPolarHBondContact O-CB 3.45Å; M191-L195 VanDerWaalsContact O-CD1 3.3Å; M191-L195 WeakPolarHBondContact O-CD1 3.42Å; M191-L195 WeakPolarHBondContact O-CG 3.28Å; M191-L195 PolarHBondContact O-N 3Å; K192-L195 PolarHBondContact O-N 3.49Å; A193-L195 VanDerWaalsContact C-N 3.27Å; A193-L195 PolarHBondContact O-N 2.76Å; L195-V202 HydrophobicContact CD2-CG2 4.21Å
196	H	31	Very low	29.4	Very low	91 Å²	91	75.7 Å²	75.7	42%	0.421	49%	0.494	S	S	.	.	H	α-helix	trans	-88.5	-4	175.2	-90.9	69.9	0	0	0	114	T128 K192 A193 P198	T128-H196 WeakPolarHBondContact CG2-CD2 3.4Å; T128-H196 WeakPolarHBondContact CG2-NE2 3.13Å; K192-H196 WeakPolarHBondContact O-CB 2.86Å; K192-H196 PolarHBondContact O-N 3.45Å; K192-H196 PolarHBondContact O-ND1 2.98Å; A193-H196 PolarHBondContact O-N 2.78Å; H196-P198 WeakPolarHBondContact O-CD 3.13Å
197	V	26.5	Very low	28.7	Very low	72 Å²	72	82.3 Å²	82.3	44%	0.436	53%	0.528	S	S	.	.	S	Bend	trans	-66.1	115.9	167.2	-174.7	0	0	0	0	108.1	A193 G199 N200	A193-V197 WeakPolarHBondContact O-CG2 3.4Å; A193-V197 PolarHBondContact O-N 3.31Å; V197-G199 PolarHBondContact O-N 3.32Å; V197-N200 PolarHBondContact O-N 2.83Å
198	P	28.1	Very low	28	Very low	131 Å²	131	83.9 Å²	83.9	85%	0.851	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	118.3	175.3	-18.4	31.3	0	0	0	109.1	H196	H196-P198 WeakPolarHBondContact O-CD 3.13Å
199	G	26.6	Very low	27.1	Very low	69 Å²	69	87.9 Å²	87.9	71%	0.711	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	114.5	-11.5	-179.8	0	0	0	0	0	115.8	V197 T201	V197-G199 PolarHBondContact O-N 3.32Å; G199-T201 VanDerWaalsContact C-N 3.34Å; G199-T201 PolarHBondContact O-N 2.86Å; G199-T201 VanDerWaalsContact O-N 3.13Å
200	N	24.1	Very low	26.6	Very low	84 Å²	84	91.7 Å²	91.7	45%	0.449	60%	0.604	S	S	.	*			trans	-85.8	75.5	169.5	-88.7	-10.3	0	0	0	110.9	L194 V197 V202	L194-N200 WeakPolarHBondContact O-CB 3.37Å; L194-N200 PolarHBondContact O-ND2 3.02Å; L194-N200 VanDerWaalsContact O-ND2 3.09Å; V197-N200 PolarHBondContact O-N 2.83Å; N200-V202 VanDerWaalsContact C-N 3.35Å; N200-V202 PolarHBondContact O-N 2.95Å
201	T	24.9	Very low	26.3	Very low	132 Å²	132	93.3 Å²	93.3	81%	0.81	62%	0.623	S	S	*	*			trans	-71.5	91.6	161.5	45.2	0	0	0	0	108.7	G199 G203	G199-T201 VanDerWaalsContact C-N 3.34Å; G199-T201 PolarHBondContact O-N 2.86Å; G199-T201 VanDerWaalsContact O-N 3.13Å; T201-G203 PolarHBondContact O-N 3.31Å
202	V	25	Very low	25.8	Very low	118 Å²	118	98.1 Å²	98.1	72%	0.715	65%	0.647	S	S	*	*			trans	-74.2	105.9	162.9	-175.5	0	0	0	0	106.2	L195 N200 A204	L195-V202 HydrophobicContact CD2-CG2 4.21Å; N200-V202 VanDerWaalsContact C-N 3.35Å; N200-V202 PolarHBondContact O-N 2.95Å; V202-A204 PolarHBondContact O-N 2.8Å; V202-A204 VanDerWaalsContact O-N 3.09Å
203	G	22	Very low	25.4	Very low	68 Å²	68	103.1 Å²	103.1	70%	0.701	67%	0.673	S	S	*	*			trans	-53.1	110.1	-166.3	0	0	0	0	0	114.1	T201 G205	T201-G203 PolarHBondContact O-N 3.31Å; G203-G205 VanDerWaalsContact C-N 3.31Å; G203-G205 PolarHBondContact O-N 3.08Å; G203-G205 VanDerWaalsContact O-N 3.13Å
204	A	25.1	Very low	25.4	Very low	103 Å²	103	111.1 Å²	111.1	85%	0.851	73%	0.725	S	S	*	*			trans	-62.7	103.2	140.1	0	0	0	0	0	106.3	V202 T206	V202-A204 PolarHBondContact O-N 2.8Å; V202-A204 VanDerWaalsContact O-N 3.09Å; A204-T206 PolarHBondContact O-N 2.84Å
205	G	21.9	Very low	25.3	Very low	58 Å²	58	112 Å²	112	60%	0.598	74%	0.736	S	S	*	*			trans	-57.1	135.8	171.5	0	0	0	0	0	110.3	G203	G203-G205 VanDerWaalsContact C-N 3.31Å; G203-G205 PolarHBondContact O-N 3.08Å; G203-G205 VanDerWaalsContact O-N 3.13Å
206	T	23.4	Very low	25	Very low	127 Å²	127	112.5 Å²	112.5	78%	0.779	75%	0.747	S	S	*	*			trans	51.7	83.8	142.5	59.9	0	0	0	0	116.9	A204	A204-T206 PolarHBondContact O-N 2.84Å
207	D	23	Very low	24.7	Very low	166 Å²	166	113.7 Å²	113.7	89%	0.888	77%	0.765	S	S	*	*			trans	-118.2	77.5	130.2	-85.9	-33.9	0	0	0	108.1
208	A	22.7	Very low	24.6	Very low	90 Å²	90	116.2 Å²	116.2	74%	0.744	79%	0.785	S	S	*	*			trans	-84.6	117.5	151.6	0	0	0	0	0	107
209	P	22.7	Very low	24.4	Very low	120 Å²	120	115.3 Å²	115.3	78%	0.779	78%	0.78	S	S	*	*				-103.6	116.3	121.1	17.2	-4.6	0	0	0	106.3	A211	P209-A211 PolarHBondContact O-N 3.32Å
210	A	25.3	Very low	24.2	Very low	85 Å²	85	118.3 Å²	118.3	70%	0.702	79%	0.785	S	S	*	*			trans	-44.1	132.2	173.3	0	0	0	0	0	111	M212	A210-M212 PolarHBondContact O-N 3.31Å
211	A	25.5	Very low	24.2	Very low	93 Å²	93	120.8 Å²	120.8	77%	0.769	81%	0.809	S	S	*	*			trans	-47	127	142.1	0	0	0	0	0	108.4	P209	P209-A211 PolarHBondContact O-N 3.32Å
212	M	22.4	Very low	24.2	Very low	166 Å²	166	119.9 Å²	119.9	82%	0.818	81%	0.809	S	S	*	*			trans	151.6	132	159.6	-93.3	177.4	-169	0	0	108.7	A210	A210-M212 PolarHBondContact O-N 3.31Å
213	M	25.2	Very low	24.1	Very low	160 Å²	160	120.1 Å²	120.1	79%	0.788	82%	0.817	S	S	*	*			cis	-153.7	147.8	14.7	-56.9	-174.9	-177.8	0	0	108.4
214	C	30.5	Very low	24.3	Very low	205 Å²	205	124.8 Å²	124.8	100%	1.385	83%	0.827	S	S	*	*			trans	-83.2	0	141.2	-66.1	0	0	0	0	108.3

Retrieved 214 of 214 residues in 113.6 ms (Link to these results)

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