A0A077ZBK7_TRITR Loading...

Something about silencing protein 10

AlphaFold DB , UniProt , Accession A0A077ZBK7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 225 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	38	Very low	33	Very low	240 Å²	240	133.6 Å²	133.6	100%	1.182	79%	0.792	S	S	*	*				0	146.7	0	-82.6	175.2	162.3	0	0	107.9
2	S	39.6	Very low	33.1	Very low	100 Å²	100	137.8 Å²	137.8	70%	0.699	81%	0.807	S	S	*	*			trans	37.2	87.4	161.3	-46.5	0	0	0	0	117.6	E4	S2-E4 VanDerWaalsContact C-N 3.33Å; S2-E4 PolarHBondContact O-N 2.96Å
3	G	36.5	Very low	32.6	Very low	82 Å²	82	139.4 Å²	139.4	85%	0.845	80%	0.801	S	S	*	*			trans	-81	83.5	155.6	0	0	0	0	0	109.5	E5	G3-E5 VanDerWaalsContact C-N 3.32Å; G3-E5 PolarHBondContact O-N 3.19Å
4	E	36	Very low	32.7	Very low	173 Å²	173	134.9 Å²	134.9	81%	0.808	79%	0.789	S	S	*	*			trans	-85	79.4	164.6	-74.9	173.5	107	0	0	108.1	S2 D6	S2-E4 VanDerWaalsContact C-N 3.33Å; S2-E4 PolarHBondContact O-N 2.96Å; E4-D6 PolarHBondContact O-N 3.47Å
5	E	32.5	Very low	33.2	Very low	193 Å²	193	135.7 Å²	135.7	90%	0.902	78%	0.779	S	S	*	*			trans	-73.4	84.2	161	-78.7	-166.8	122.7	0	0	108.4	G3 P7	G3-E5 VanDerWaalsContact C-N 3.32Å; G3-E5 PolarHBondContact O-N 3.19Å; E5-P7 VanDerWaalsContact O-CD 3.24Å; E5-P7 WeakPolarHBondContact O-CD 3.45Å
6	D	30.8	Very low	33.1	Very low	134 Å²	134	136.8 Å²	136.8	72%	0.717	77%	0.768	S	S	*	*			trans	-57.1	110.4	170.7	-166.6	5.5	0	0	0	109.4	E4 N8	E4-D6 PolarHBondContact O-N 3.47Å; D6-N8 PolarHBondContact O-N 3.09Å
7	P	35.4	Very low	33.1	Very low	115 Å²	115	133 Å²	133	75%	0.747	75%	0.745	S	S	*	*			trans	-77.7	73.2	176	33.8	-32.3	0	0	0	108.3	E5 P9	E5-P7 VanDerWaalsContact O-CD 3.24Å; E5-P7 WeakPolarHBondContact O-CD 3.45Å; P7-P9 WeakPolarHBondContact O-CD 3.37Å
8	N	28.5	Very low	32.8	Very low	133 Å²	133	132.6 Å²	132.6	71%	0.711	74%	0.738	S	S	*	*			trans	-41.9	113.2	176.2	-175.8	-2.5	0	0	0	109.1	D6 A10	D6-N8 PolarHBondContact O-N 3.09Å; N8-A10 PolarHBondContact O-N 3.49Å
9	P	28.8	Very low	32.7	Very low	110 Å²	110	127.6 Å²	127.6	71%	0.714	71%	0.711	S	S	*	*			trans	-72.6	91.8	-163.5	26.6	-34.6	0	0	0	110.5	P7	P7-P9 WeakPolarHBondContact O-CD 3.37Å
10	A	26.6	Very low	32.4	Very low	89 Å²	89	125 Å²	125	74%	0.736	71%	0.707	S	S	*	*			trans	-53.3	138.4	173.6	0	0	0	0	0	109.9	N8	N8-A10 PolarHBondContact O-N 3.49Å
11	P	30	Very low	32.4	Very low	101 Å²	101	121.9 Å²	121.9	66%	0.656	69%	0.691	S	S	*	*			trans	-72	162.2	-147.1	-22.5	35.6	0	0	0	114.7	E13	P11-E13 HydrophobicContact CB-CG 4.25Å; P11-E13 PolarHBondContact O-N 2.97Å
12	L	34	Very low	31.9	Very low	184 Å²	184	115.9 Å²	115.9	96%	0.963	67%	0.67	S	S	*	*			trans	-63.8	25.3	176.9	-84.7	151	0	0	0	115.2
13	E	26.8	Very low	31.5	Very low	158 Å²	158	115 Å²	115	74%	0.738	66%	0.663	S	S	*	*			trans	-77.9	133.5	-173.3	-71.2	-171.9	149.2	0	0	113.8	P11 K15	P11-E13 HydrophobicContact CB-CG 4.25Å; P11-E13 PolarHBondContact O-N 2.97Å; E13-K15 PolarHBondContact O-N 2.81Å; E13-K15 VanDerWaalsContact O-N 3.15Å
14	A	34.7	Very low	31.2	Very low	76 Å²	76	112.8 Å²	112.8	63%	0.628	64%	0.641	S	S	*	*	S	Bend	trans	67.7	3.5	156.4	0	0	0	0	0	121.1
15	K	39.4	Very low	30.9	Very low	147 Å²	147	110.3 Å²	110.3	64%	0.639	63%	0.633	S	S	*	*	S	Bend	trans	-83.1	-26.2	175.7	-100.9	-179.2	176	172.9	0	116	E13 R30	E13-K15 PolarHBondContact O-N 2.81Å; E13-K15 VanDerWaalsContact O-N 3.15Å; K15-R30 PolarHBondContact O-N 2.87Å
16	Y	31.3	Very low	30.9	Very low	153 Å²	153	106.5 Å²	106.5	60%	0.6	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.7	145.1	-171.2	-54.5	-84.6	0	0	0	111.8
17	L	33.1	Very low	31	Very low	73 Å²	73	104.6 Å²	104.6	38%	0.382	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.9	125.7	-174.5	-59.5	175.9	0	0	0	109.9	V19 T27 V28 R30	L17-V19 PolarHBondContact O-N 3.28Å; L17-T27 CarbonylContact O-C 3.51Å; L17-T27 WeakPolarHBondContact O-CA 3.49Å; L17-V28 CarbonylContact C-O 3.06Å; L17-V28 WeakPolarHBondContact CA-O 3.49Å; L17-V28 WeakPolarHBondContact CB-O 3.2Å; L17-V28 PolarHBondContact N-O 3.08Å; L17-V28 PolarHBondContact O-N 3.38Å; L17-R30 HydrophobicContact CD1-CB 4.37Å; L17-R30 HydrophobicContact CD1-CG 4.11Å; L17-R30 HydrophobicContact CG-CB 4.42Å; L17-R30 HydrophobicContact CG-CG 4.46Å
18	M	29.1	Very low	31	Very low	126 Å²	126	100.7 Å²	100.7	62%	0.621	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.8	126.9	169.2	-73.5	-88.8	-81.6	0	0	110.1	L25 R26 T27	M18-L25 HydrophobicContact CE-CB 4.21Å; M18-L25 HydrophobicContact CE-CD1 4.3Å; M18-R26 WeakPolarHBondContact CA-O 3.14Å; M18-T27 HydrophobicContact CG-CG2 3.96Å; M18-T27 HydrophobicContact SD-CG2 3.95Å
19	V	30.4	Very low	31.3	Very low	37 Å²	37	94.9 Å²	94.9	22%	0.224	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.9	176.4	-175.7	0	0	0	0	108.9	L17 R26 V28 L33	L17-V19 PolarHBondContact O-N 3.28Å; V19-R26 PolarHBondContact N-O 3.44Å; V19-R26 PolarHBondContact O-N 2.94Å; V19-V28 HydrophobicContact CB-CG2 3.79Å; V19-V28 HydrophobicContact CG2-CB 3.95Å; V19-V28 HydrophobicContact CG2-CG2 3.71Å; V19-L33 HydrophobicContact CG1-CD2 4.48Å; V19-L33 HydrophobicContact CG2-CD1 4.37Å
20	A	27.1	Very low	31.5	Very low	76 Å²	76	96.5 Å²	96.5	63%	0.628	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.5	174.9	0	0	0	0	0	110.5	L25	A20-L25 HydrophobicContact CB-CD2 3.79Å
21	T	31.6	Very low	31.8	Very low	59 Å²	59	94.5 Å²	94.5	36%	0.362	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	167.9	168.3	64.1	0	0	0	0	109.7	S23 G24	T21-S23 PolarHBondContact O-N 3.04Å; T21-S23 PolarHBondContact OG1-N 2.83Å; T21-S23 PolarHBondContact OG1-OG 3.39Å; T21-G24 PolarHBondContact N-O 2.84Å; T21-G24 PolarHBondContact O-N 3.47Å; T21-G24 PolarHBondContact OG1-O 2.89Å
22	P	27.2	Very low	32	Very low	115 Å²	115	91.2 Å²	91.2	75%	0.747	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-15.1	171.6	-26	36	0	0	0	114.3
23	S	32.1	Very low	31.9	Very low	80 Å²	80	86.7 Å²	86.7	56%	0.559	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	11.4	179	49	0	0	0	0	114.5	T21	T21-S23 PolarHBondContact O-N 3.04Å; T21-S23 PolarHBondContact OG1-N 2.83Å; T21-S23 PolarHBondContact OG1-OG 3.39Å
24	G	29	Very low	32.1	Very low	36 Å²	36	80.6 Å²	80.6	37%	0.371	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	122	-175.8	171.5	0	0	0	0	0	115.6	T21	T21-G24 PolarHBondContact N-O 2.84Å; T21-G24 PolarHBondContact O-N 3.47Å; T21-G24 PolarHBondContact OG1-O 2.89Å
25	L	30.1	Very low	31.8	Very low	122 Å²	122	78.4 Å²	78.4	64%	0.639	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	133.5	177.4	-71.9	165.4	0	0	0	111	M18 A20	M18-L25 HydrophobicContact CE-CB 4.21Å; M18-L25 HydrophobicContact CE-CD1 4.3Å; A20-L25 HydrophobicContact CB-CD2 3.79Å
26	R	32.2	Very low	31.6	Very low	112 Å²	112	73.5 Å²	73.5	42%	0.423	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.9	174.4	-64.6	-172.1	179.7	-177.3	2.6	112	M18 V19 V28	M18-R26 WeakPolarHBondContact CA-O 3.14Å; V19-R26 PolarHBondContact N-O 3.44Å; V19-R26 PolarHBondContact O-N 2.94Å; R26-V28 PolarHBondContact O-N 3.17Å; R26-V28 VanDerWaalsContact O-N 3.11Å
27	T	33.7	Very low	31.4	Very low	95 Å²	95	69.8 Å²	69.8	58%	0.583	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	93.6	166.2	12.7	0	0	0	0	110.1	L17 M18	L17-T27 CarbonylContact O-C 3.51Å; L17-T27 WeakPolarHBondContact O-CA 3.49Å; M18-T27 HydrophobicContact CG-CG2 3.96Å; M18-T27 HydrophobicContact SD-CG2 3.95Å
28	V	36.2	Very low	31.3	Very low	33 Å²	33	71.7 Å²	71.7	20%	0.2	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	131.5	169	-171	0	0	0	0	107.1	L17 V19 R26	L17-V28 CarbonylContact C-O 3.06Å; L17-V28 WeakPolarHBondContact CA-O 3.49Å; L17-V28 WeakPolarHBondContact CB-O 3.2Å; L17-V28 PolarHBondContact N-O 3.08Å; L17-V28 PolarHBondContact O-N 3.38Å; V19-V28 HydrophobicContact CB-CG2 3.79Å; V19-V28 HydrophobicContact CG2-CB 3.95Å; V19-V28 HydrophobicContact CG2-CG2 3.71Å; R26-V28 PolarHBondContact O-N 3.17Å; R26-V28 VanDerWaalsContact O-N 3.11Å
29	S	34.6	Very low	31.4	Very low	10 Å²	10	69.8 Å²	69.8	7%	0.07	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	162.2	169.6	54	0	0	0	0	111	D31 S32 P194 K200	S29-D31 PolarHBondContact O-N 3.29Å; S29-D31 WeakPolarHBondContact OG-CB 3.21Å; S29-S32 PolarHBondContact OG-OG 3.22Å; S29-P194 VanDerWaalsContact OG-CB 3.24Å; S29-P194 WeakPolarHBondContact OG-CB 3.22Å; S29-K200 PolarHBondContact O-NZ 2.91Å
30	R	32.2	Very low	31.6	Very low	144 Å²	144	71 Å²	71	54%	0.543	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	13.5	171.5	-158.7	-162	151.2	150.8	-2.7	112.8	K15 L17 V197 K200	K15-R30 PolarHBondContact O-N 2.87Å; L17-R30 HydrophobicContact CD1-CB 4.37Å; L17-R30 HydrophobicContact CD1-CG 4.11Å; L17-R30 HydrophobicContact CG-CB 4.42Å; L17-R30 HydrophobicContact CG-CG 4.46Å; R30-V197 HydrophobicContact CB-CG2 4.26Å; R30-V197 HydrophobicContact CG-CG2 4.12Å; R30-K200 VanDerWaalsContact C-CD 3.5Å; R30-K200 WeakPolarHBondContact O-CD 2.96Å; R30-K200 PolarHBondContact O-NZ 2.82Å; R30-K200 VanDerWaalsContact O-NZ 3.17Å
31	D	33.5	Very low	31.6	Very low	48 Å²	48	70.9 Å²	70.9	26%	0.257	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-20.6	-155.9	-71.6	36.7	0	0	0	115.3	S29 V195 G196 V197 K200	S29-D31 PolarHBondContact O-N 3.29Å; S29-D31 WeakPolarHBondContact OG-CB 3.21Å; D31-V195 CarbonylContact C-O 3.36Å; D31-V195 VanDerWaalsContact CA-O 3.26Å; D31-V195 WeakPolarHBondContact CA-O 3.31Å; D31-V195 WeakPolarHBondContact CB-O 3.19Å; D31-V195 CarbonylContact O-C 3.11Å; D31-G196 VanDerWaalsContact CB-CA 3.41Å; D31-G196 VanDerWaalsContact CG-C 3.49Å; D31-G196 CarbonylContact O-C 3.52Å; D31-G196 PolarHBondContact O-N 2.88Å; D31-G196 WeakPolarHBondContact OD2-CA 3.39Å; D31-V197 HydrophobicContact CB-CB 4.49Å; D31-V197 VanDerWaalsContact OD1-CA 3.27Å; D31-V197 WeakPolarHBondContact OD1-CA 3.49Å; D31-V197 WeakPolarHBondContact OD1-CB 3.33Å; D31-V197 WeakPolarHBondContact OD1-CG2 3.19Å; D31-V197 PolarHBondContact OD1-N 3.07Å; D31-V197 PolarHBondContact OD2-N 3.25Å; D31-K200 VanDerWaalsContact O-CB 3.28Å; D31-K200 WeakPolarHBondContact O-CB 3.48Å; D31-K200 WeakPolarHBondContact O-CD 3.02Å; D31-K200 WeakPolarHBondContact O-CG 3.02Å
32	S	33.7	Very low	31.5	Very low	32 Å²	32	71.2 Å²	71.2	22%	0.224	41%	0.412	C	S	.	.	S	Bend	trans	-115.8	24.3	-168.8	-31	0	0	0	0	124.8	S29 P194 V195 K200	S29-S32 PolarHBondContact OG-OG 3.22Å; S32-P194 VanDerWaalsContact OG-CA 3.26Å; S32-P194 WeakPolarHBondContact OG-CA 3.47Å; S32-P194 WeakPolarHBondContact OG-CB 3.11Å; S32-V195 PolarHBondContact N-O 3.38Å; S32-V195 PolarHBondContact OG-N 3.03Å; S32-V195 VanDerWaalsContact OG-N 3.13Å; S32-V195 PolarHBondContact OG-O 3.14Å; S32-K200 VanDerWaalsContact N-CD 3.3Å
33	L	32.1	Very low	31.5	Very low	88 Å²	88	68.8 Å²	68.8	46%	0.461	40%	0.398	S	S	.	.	S	Bend	trans	-117.8	-5.5	-169.8	-62.9	160.6	0	0	0	115.4	V19 K200	V19-L33 HydrophobicContact CG1-CD2 4.48Å; V19-L33 HydrophobicContact CG2-CD1 4.37Å; L33-K200 HydrophobicContact CB-CD 4.3Å; L33-K200 HydrophobicContact CB-CG 4.35Å
34	V	30.3	Very low	31.2	Very low	30 Å²	30	68.6 Å²	68.6	18%	0.182	40%	0.397	C	S	.	.			trans	-127.8	35.6	-157.8	179	0	0	0	0	106.3	K200 S203 I204	V34-K200 CarbonylContact C-O 3.57Å; V34-K200 VanDerWaalsContact CB-CA 3.48Å; V34-K200 HydrophobicContact CB-CB 3.68Å; V34-K200 HydrophobicContact CB-CG 3.52Å; V34-K200 WeakPolarHBondContact CB-O 3.31Å; V34-K200 HydrophobicContact CG1-CB 4.36Å; V34-K200 WeakPolarHBondContact CG1-O 3.44Å; V34-K200 HydrophobicContact CG2-CB 4.2Å; V34-K200 HydrophobicContact CG2-CD 4.16Å; V34-K200 HydrophobicContact CG2-CG 3.67Å; V34-K200 CarbonylContact O-C 2.72Å; V34-S203 CarbonylContact O-C 3.47Å; V34-S203 WeakPolarHBondContact O-CA 3.28Å; V34-S203 VanDerWaalsContact O-CB 3.23Å; V34-S203 WeakPolarHBondContact O-CB 3.25Å; V34-S203 PolarHBondContact O-N 2.78Å; V34-S203 PolarHBondContact O-OG 2.86Å; V34-I204 HydrophobicContact CB-CB 4.32Å; V34-I204 HydrophobicContact CB-CD1 3.96Å; V34-I204 HydrophobicContact CB-CG1 3.8Å; V34-I204 HydrophobicContact CG1-CB 3.25Å; V34-I204 HydrophobicContact CG1-CD1 3.62Å; V34-I204 HydrophobicContact CG1-CG1 3.25Å; V34-I204 HydrophobicContact CG2-CD1 3.76Å; V34-I204 HydrophobicContact CG2-CG1 4.19Å; V34-I204 PolarHBondContact O-N 2.71Å
35	T	29.5	Very low	31.2	Very low	31 Å²	31	74 Å²	74	19%	0.19	41%	0.41	C	S	.	.			trans	-108.5	121.5	171.9	38.9	0	0	0	0	111	S37 T38 V195 E199 S203	T35-S37 PolarHBondContact O-N 3.21Å; T35-T38 PolarHBondContact O-N 3.33Å; T35-T38 PolarHBondContact O-OG1 2.81Å; T35-V195 HydrophobicContact CG2-CG1 3.93Å; T35-E199 HydrophobicContact CG2-CG 4.22Å; T35-S203 VanDerWaalsContact CG2-OG 3.28Å; T35-S203 WeakPolarHBondContact CG2-OG 3.41Å
36	E	34.7	Very low	31.2	Very low	43 Å²	43	70.1 Å²	70.1	20%	0.201	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-34.8	-34.5	-173	-75.9	172.4	147.9	0	0	119.6	T38 L39 S203 R206 W207	E36-T38 PolarHBondContact O-N 2.75Å; E36-L39 PolarHBondContact O-N 3Å; E36-L39 VanDerWaalsContact O-N 3.08Å; E36-S203 WeakPolarHBondContact CG-O 3.14Å; E36-S203 PolarHBondContact N-O 3.13Å; E36-R206 HydrophobicContact CG-CB 4Å; E36-R206 WeakPolarHBondContact OE1-CB 3.44Å; E36-R206 WeakPolarHBondContact OE1-CD 3.2Å; E36-R206 WeakPolarHBondContact OE1-CG 3.38Å; E36-R206 VanDerWaalsContact OE2-CD 3.26Å; E36-R206 WeakPolarHBondContact OE2-CD 3.28Å; E36-R206 IonicContact OE2-CZ 2.61Å; E36-R206 IonicContact OE2-NE 3.61Å; E36-R206 IonicContact OE2-NH1 2.67Å; E36-R206 PolarHBondContact OE2-NH1 3.38Å; E36-W207 HydrophobicContact CG-CB 4.05Å
37	S	27.1	Very low	30.9	Very low	76 Å²	76	69.6 Å²	69.6	53%	0.531	41%	0.405	S	S	.	.	H	α-helix	trans	-58.1	-34	-173.2	46.3	0	0	0	0	112.4	T35 L39 F40 S41	T35-S37 PolarHBondContact O-N 3.21Å; S37-L39 PolarHBondContact O-N 3.13Å; S37-L39 VanDerWaalsContact O-N 3.16Å; S37-F40 PolarHBondContact O-N 2.61Å; S37-S41 PolarHBondContact O-N 3.15Å; S37-S41 PolarHBondContact O-OG 2.99Å
38	T	31	Very low	30.6	Very low	113 Å²	113	69 Å²	69	69%	0.693	41%	0.41	S	S	*	.	H	α-helix	trans	-65.2	-18.8	-179.6	-33.2	0	0	0	0	113.7	T35 E36	T35-T38 PolarHBondContact O-N 3.33Å; T35-T38 PolarHBondContact O-OG1 2.81Å; E36-T38 PolarHBondContact O-N 2.75Å
39	L	31.2	Very low	30.2	Very low	85 Å²	85	74.4 Å²	74.4	45%	0.445	44%	0.437	S	S	.	.	H	α-helix	trans	-102.2	-13.8	-176.7	-74.3	155.5	0	0	0	113.8	E36 S37 W207	E36-L39 PolarHBondContact O-N 3Å; E36-L39 VanDerWaalsContact O-N 3.08Å; S37-L39 PolarHBondContact O-N 3.13Å; S37-L39 VanDerWaalsContact O-N 3.16Å; L39-W207 HydrophobicContact CB-CG 4.38Å; L39-W207 VanDerWaalsContact CB-NE1 3.35Å; L39-W207 HydrophobicContact CD1-CB 4.17Å; L39-W207 HydrophobicContact CD1-CD2 3.56Å; L39-W207 HydrophobicContact CD1-CE3 4.17Å; L39-W207 HydrophobicContact CD1-CG 3.54Å; L39-W207 HydrophobicContact CD1-CZ2 4.28Å; L39-W207 HydrophobicContact CD2-CZ2 4.27Å
40	F	35	Very low	30.1	Very low	62 Å²	62	80.1 Å²	80.1	27%	0.272	47%	0.467	S	S	.	.	H	α-helix	trans	-121.5	-14.4	-173.2	-68.2	-55.5	0	0	0	116	S37 A42 S43 W207 S210 V211	S37-F40 PolarHBondContact O-N 2.61Å; F40-A42 PolarHBondContact O-N 3.46Å; F40-S43 PolarHBondContact O-N 3Å; F40-S43 PolarHBondContact O-OG 3Å; F40-S43 VanDerWaalsContact O-OG 3.09Å; F40-W207 AromaticContact CD2-CD1 3.94Å; F40-W207 AromaticContact CE1-NE1 3.86Å; F40-W207 AromaticContact CE2-CD1 3.27Å; F40-W207 HydrophobicContact CE2-CG 4.41Å; F40-W207 AromaticContact CE2-NE1 3.67Å; F40-W207 AromaticContact CZ-CD1 3.5Å; F40-W207 AromaticContact CZ-NE1 3.41Å; F40-S210 WeakPolarHBondContact CE2-OG 3.39Å; F40-S210 WeakPolarHBondContact CZ-OG 3.49Å; F40-V211 HydrophobicContact CE1-CG2 4.47Å; F40-V211 HydrophobicContact CZ-CG2 3.87Å
41	S	26.9	Very low	29.8	Very low	74 Å²	74	78.3 Å²	78.3	52%	0.517	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-1.3	173.8	-66.7	0	0	0	0	114.9	S37 S43 F45	S37-S41 PolarHBondContact O-N 3.15Å; S37-S41 PolarHBondContact O-OG 2.99Å; S41-S43 VanDerWaalsContact C-N 3.3Å; S41-F45 WeakPolarHBondContact O-CD2 2.9Å
42	A	29.3	Very low	30	Very low	67 Å²	67	81.7 Å²	81.7	55%	0.554	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.8	170.7	0	0	0	0	0	113.6	F40	F40-A42 PolarHBondContact O-N 3.46Å
43	S	26.6	Very low	29.8	Very low	63 Å²	63	86.9 Å²	86.9	44%	0.441	52%	0.518	S	S	.	.	S	Bend	trans	-77.5	-33.9	-174	60.2	0	0	0	0	114.2	F40 S41 F45 V46	F40-S43 PolarHBondContact O-N 3Å; F40-S43 PolarHBondContact O-OG 3Å; F40-S43 VanDerWaalsContact O-OG 3.09Å; S41-S43 VanDerWaalsContact C-N 3.3Å; S43-F45 VanDerWaalsContact C-N 3.25Å; S43-F45 PolarHBondContact O-N 3.01Å; S43-V46 PolarHBondContact O-N 3.08Å
44	S	25.9	Very low	29.9	Very low	76 Å²	76	86.9 Å²	86.9	53%	0.531	53%	0.53	S	S	.	.	H	α-helix	trans	-68.6	-21.9	-176.5	57.7	0	0	0	0	113.9	V46	S44-V46 VanDerWaalsContact C-N 3.25Å; S44-V46 PolarHBondContact O-N 2.8Å
45	F	29.3	Very low	29.9	Very low	150 Å²	150	91.7 Å²	91.7	66%	0.658	56%	0.555	S	S	*	*	H	α-helix	trans	-66.6	-26.6	175.4	-75.7	-84.3	0	0	0	112.7	S41 S43	S41-F45 WeakPolarHBondContact O-CD2 2.9Å; S43-F45 VanDerWaalsContact C-N 3.25Å; S43-F45 PolarHBondContact O-N 3.01Å
46	V	30	Very low	30	Very low	41 Å²	41	96.5 Å²	96.5	25%	0.248	58%	0.579	C	S	.	*	H	α-helix	trans	-78.6	-31.5	-175.8	-174.8	0	0	0	0	112.1	S43 S44 L50 V71	S43-V46 PolarHBondContact O-N 3.08Å; S44-V46 VanDerWaalsContact C-N 3.25Å; S44-V46 PolarHBondContact O-N 2.8Å; V46-L50 HydrophobicContact CG1-CD1 4.17Å; V46-L50 VanDerWaalsContact O-CD1 3.25Å; V46-L50 WeakPolarHBondContact O-CD1 3.45Å; V46-L50 VanDerWaalsContact O-CG 3.25Å; V46-L50 WeakPolarHBondContact O-CG 3.13Å; V46-V71 HydrophobicContact CB-CG2 4.49Å; V46-V71 HydrophobicContact CG2-CG2 4.1Å
47	S	25.6	Very low	30.1	Very low	101 Å²	101	98.5 Å²	98.5	71%	0.706	61%	0.612	S	S	*	*	H	α-helix	trans	-84.7	-16.1	-176.1	-58.3	0	0	0	0	114.9
48	A	29	Very low	30.4	Very low	83 Å²	83	100 Å²	100	69%	0.686	62%	0.622	S	S	*	*	H	α-helix	trans	-87	-35.7	-176.5	0	0	0	0	0	113.4
49	D	27.3	Very low	30.6	Very low	145 Å²	145	100.4 Å²	100.4	78%	0.775	63%	0.627	S	S	*	*	S	Bend	trans	-92.1	-3.1	-177.9	-74.1	-36.2	0	0	0	113.8	N51	D49-N51 VanDerWaalsContact C-N 3.26Å; D49-N51 PolarHBondContact O-N 2.91Å
50	L	31.1	Very low	30.9	Very low	130 Å²	130	101.3 Å²	101.3	68%	0.681	63%	0.632	S	S	*	*			trans	-79.2	72.8	172	-73.9	173.4	0	0	0	111.1	V46 P52	V46-L50 HydrophobicContact CG1-CD1 4.17Å; V46-L50 VanDerWaalsContact O-CD1 3.25Å; V46-L50 WeakPolarHBondContact O-CD1 3.45Å; V46-L50 VanDerWaalsContact O-CG 3.25Å; V46-L50 WeakPolarHBondContact O-CG 3.13Å; L50-P52 VanDerWaalsContact O-CD 3.29Å; L50-P52 WeakPolarHBondContact O-CD 3.04Å
51	N	27.7	Very low	31.3	Very low	107 Å²	107	101.4 Å²	101.4	57%	0.572	64%	0.64	S	S	*	*			trans	-82.3	106.7	160.5	-173.1	10	0	0	0	108.9	D49 D53 A54	D49-N51 VanDerWaalsContact C-N 3.26Å; D49-N51 PolarHBondContact O-N 2.91Å; N51-D53 PolarHBondContact O-N 2.75Å; N51-A54 PolarHBondContact O-N 3.15Å
52	P	36.4	Very low	32.1	Very low	118 Å²	118	99.6 Å²	99.6	77%	0.766	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-9.9	-173.1	30.6	-36.5	0	0	0	114.1	L50 A54	L50-P52 VanDerWaalsContact O-CD 3.29Å; L50-P52 WeakPolarHBondContact O-CD 3.04Å; P52-A54 PolarHBondContact O-N 3.22Å
53	D	30.1	Very low	32.8	Very low	142 Å²	142	96.8 Å²	96.8	76%	0.759	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	5	173.7	-68.4	-26.1	0	0	0	113.2	N51 D55	N51-D53 PolarHBondContact O-N 2.75Å; D53-D55 PolarHBondContact O-N 2.94Å
54	A	33.8	Very low	33.7	Very low	87 Å²	87	98.3 Å²	98.3	72%	0.719	61%	0.61	S	S	*	*			trans	-74.2	69	164.7	0	0	0	0	0	110.9	N51 P52	N51-A54 PolarHBondContact O-N 3.15Å; P52-A54 PolarHBondContact O-N 3.22Å
55	D	30.3	Very low	34.8	Very low	132 Å²	132	97.5 Å²	97.5	71%	0.706	60%	0.602	S	S	*	*			trans	-63	156.7	178.4	-163.6	8.7	0	0	0	112.4	D53	D53-D55 PolarHBondContact O-N 2.94Å
56	N	32.8	Very low	35.6	Very low	131 Å²	131	92.3 Å²	92.3	70%	0.701	58%	0.581	S	S	*	*	S	Bend	trans	79.5	79.8	177.7	-53.7	-75.4	0	0	0	118.5	S58	N56-S58 PolarHBondContact O-N 2.84Å
57	G	35.4	Very low	36.5	Very low	86 Å²	86	93.4 Å²	93.4	89%	0.887	59%	0.585	S	S	*	*				73.2	9.2	115.9	0	0	0	0	0	119.8
58	S	33.2	Very low	37.7	Very low	107 Å²	107	94 Å²	94	75%	0.748	58%	0.575	S	S	*	*			trans	-71.8	127.9	168.3	-73.4	0	0	0	0	110.5	N56 L60	N56-S58 PolarHBondContact O-N 2.84Å; S58-L60 PolarHBondContact O-N 3.44Å
59	P	35	Very low	38.7	Very low	121 Å²	121	93.2 Å²	93.2	79%	0.786	56%	0.559	S	S	*	*			trans	-64	121.3	169.2	27.1	-31.8	0	0	0	107.9	S61	P59-S61 PolarHBondContact O-N 3.08Å; P59-S61 VanDerWaalsContact O-N 3.12Å
60	L	37.9	Very low	39.8	Very low	105 Å²	105	87.5 Å²	87.5	55%	0.55	53%	0.529	S	S	.	.			trans	-40.2	121.2	177.7	-68.9	166.7	0	0	0	109.6	S58 E64 V65	S58-L60 PolarHBondContact O-N 3.44Å; L60-E64 HydrophobicContact CB-CB 4.25Å; L60-E64 HydrophobicContact CD2-CB 4.11Å; L60-V65 HydrophobicContact CB-CG2 3.66Å; L60-V65 HydrophobicContact CD1-CG2 4.27Å
61	S	43.9	Very low	40.7	Very low	63 Å²	63	83.6 Å²	83.6	44%	0.441	51%	0.51	S	S	.	.			trans	-55.7	149.1	176.9	67.5	0	0	0	0	109.1	P59 G63 E64 V65	P59-S61 PolarHBondContact O-N 3.08Å; P59-S61 VanDerWaalsContact O-N 3.12Å; S61-G63 PolarHBondContact O-N 2.76Å; S61-E64 WeakPolarHBondContact CB-OE2 3.32Å; S61-E64 PolarHBondContact N-OE2 2.95Å; S61-E64 PolarHBondContact O-N 2.76Å; S61-E64 VanDerWaalsContact OG-CD 3.3Å; S61-E64 WeakPolarHBondContact OG-CG 2.97Å; S61-E64 PolarHBondContact OG-OE2 3.46Å; S61-V65 PolarHBondContact O-N 3.12Å
62	G	43.6	Very low	41.9	Very low	37 Å²	37	83.2 Å²	83.2	38%	0.381	51%	0.505	S	S	.	.	H	α-helix	trans	-52.5	-31.5	-173.4	0	0	0	0	0	113.5	I66	G62-I66 VanDerWaalsContact O-CD1 3.32Å; G62-I66 WeakPolarHBondContact O-CD1 3.44Å; G62-I66 WeakPolarHBondContact O-CG1 3.13Å; G62-I66 PolarHBondContact O-N 3.12Å
63	G	43.5	Very low	42.6	Very low	7 Å²	7	79.6 Å²	79.6	7%	0.072	48%	0.479	C	S	.	.	H	α-helix	trans	-68.5	-35.5	174.7	0	0	0	0	0	115.2	S61 I66 L67 Q171	S61-G63 PolarHBondContact O-N 2.76Å; G63-I66 PolarHBondContact O-N 2.71Å; G63-L67 WeakPolarHBondContact O-CB 3.38Å; G63-L67 VanDerWaalsContact O-CG 3.29Å; G63-L67 WeakPolarHBondContact O-CG 3.32Å; G63-L67 PolarHBondContact O-N 3.13Å; G63-Q171 VanDerWaalsContact CA-NE2 3.33Å
64	E	45.8	Very low	43.6	Very low	95 Å²	95	74 Å²	74	44%	0.444	45%	0.451	S	S	.	.	H	α-helix	trans	-69.7	-39.7	178.6	-70.5	163	134.1	0	0	111.5	L60 S61 I66 L67 K68	L60-E64 HydrophobicContact CB-CB 4.25Å; L60-E64 HydrophobicContact CD2-CB 4.11Å; S61-E64 WeakPolarHBondContact CB-OE2 3.32Å; S61-E64 PolarHBondContact N-OE2 2.95Å; S61-E64 PolarHBondContact O-N 2.76Å; S61-E64 VanDerWaalsContact OG-CD 3.3Å; S61-E64 WeakPolarHBondContact OG-CG 2.97Å; S61-E64 PolarHBondContact OG-OE2 3.46Å; E64-I66 VanDerWaalsContact C-N 3.34Å; E64-L67 PolarHBondContact O-N 2.99Å; E64-K68 WeakPolarHBondContact O-CB 3Å; E64-K68 PolarHBondContact O-N 3Å
65	V	48.2	Very low	44.3	Very low	59 Å²	59	73.6 Å²	73.6	36%	0.358	44%	0.439	S	S	.	.	H	α-helix	trans	-63.3	-42.4	173.4	-177.9	0	0	0	0	110.7	L60 S61 K68 N69	L60-V65 HydrophobicContact CB-CG2 3.66Å; L60-V65 HydrophobicContact CD1-CG2 4.27Å; S61-V65 PolarHBondContact O-N 3.12Å; V65-K68 PolarHBondContact O-N 3.42Å; V65-N69 WeakPolarHBondContact O-CB 3.24Å; V65-N69 PolarHBondContact O-N 3.35Å; V65-N69 PolarHBondContact O-ND2 3.35Å; V65-N69 PolarHBondContact O-OD1 3.06Å
66	I	47.3	Very low	45.4	Very low	42 Å²	42	70.5 Å²	70.5	22%	0.215	43%	0.425	C	S	.	.	H	α-helix	trans	-64.8	-44.2	176.8	-70.2	168.3	0	0	0	110.9	G62 G63 E64 N69 L70 L167 Q171	G62-I66 VanDerWaalsContact O-CD1 3.32Å; G62-I66 WeakPolarHBondContact O-CD1 3.44Å; G62-I66 WeakPolarHBondContact O-CG1 3.13Å; G62-I66 PolarHBondContact O-N 3.12Å; G63-I66 PolarHBondContact O-N 2.71Å; E64-I66 VanDerWaalsContact C-N 3.34Å; I66-N69 PolarHBondContact O-N 3.02Å; I66-L70 WeakPolarHBondContact O-CG 3.35Å; I66-L70 PolarHBondContact O-N 2.67Å; I66-L167 HydrophobicContact CB-CD2 4.4Å; I66-L167 HydrophobicContact CG2-CD2 3.51Å; I66-L167 HydrophobicContact CG2-CG 4.21Å; I66-L167 WeakPolarHBondContact O-CD2 2.96Å; I66-Q171 HydrophobicContact CG2-CB 3.87Å; I66-Q171 HydrophobicContact CG2-CG 4.17Å
67	L	49.1	Very low	46.3	Very low	64 Å²	64	64.2 Å²	64.2	34%	0.335	39%	0.392	S	S	.	.	H	α-helix	trans	-63.9	-43.1	176.2	-75.7	168.2	0	0	0	112.4	G63 E64 N69 L70 V71	G63-L67 WeakPolarHBondContact O-CB 3.38Å; G63-L67 VanDerWaalsContact O-CG 3.29Å; G63-L67 WeakPolarHBondContact O-CG 3.32Å; G63-L67 PolarHBondContact O-N 3.13Å; E64-L67 PolarHBondContact O-N 2.99Å; L67-N69 VanDerWaalsContact C-N 3.34Å; L67-N69 PolarHBondContact O-N 3.42Å; L67-L70 HydrophobicContact CD2-CD1 4.4Å; L67-L70 WeakPolarHBondContact O-CB 3.16Å; L67-L70 PolarHBondContact O-N 2.87Å; L67-V71 WeakPolarHBondContact O-CG2 3.13Å; L67-V71 PolarHBondContact O-N 3.04Å
68	K	50.1	Low	47.1	Very low	112 Å²	112	67.3 Å²	67.3	49%	0.487	38%	0.376	S	S	.	.	H	α-helix	trans	-58.5	-46.9	174	179.5	176	171.6	178	0	111.2	E64 V65 L70 V71 E72	E64-K68 WeakPolarHBondContact O-CB 3Å; E64-K68 PolarHBondContact O-N 3Å; V65-K68 PolarHBondContact O-N 3.42Å; K68-L70 VanDerWaalsContact C-N 3.31Å; K68-L70 PolarHBondContact O-N 2.76Å; K68-V71 PolarHBondContact O-N 3.21Å; K68-V71 VanDerWaalsContact O-N 3.15Å; K68-E72 WeakPolarHBondContact CE-OE1 3.24Å; K68-E72 IonicContact NZ-OE1 3.77Å; K68-E72 PolarHBondContact O-N 3.18Å
69	N	50.3	Low	47.9	Very low	68 Å²	68	67.9 Å²	67.9	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-62.1	-36	176.5	-68.9	-15.4	0	0	0	112.2	V65 I66 L67 L73 L167	V65-N69 WeakPolarHBondContact O-CB 3.24Å; V65-N69 PolarHBondContact O-N 3.35Å; V65-N69 PolarHBondContact O-ND2 3.35Å; V65-N69 PolarHBondContact O-OD1 3.06Å; I66-N69 PolarHBondContact O-N 3.02Å; L67-N69 VanDerWaalsContact C-N 3.34Å; L67-N69 PolarHBondContact O-N 3.42Å; N69-L73 WeakPolarHBondContact O-CB 2.92Å; N69-L73 PolarHBondContact O-N 3.27Å; N69-L167 HydrophobicContact CB-CD2 4.4Å
70	L	50.9	Low	48.8	Very low	25 Å²	25	62.3 Å²	62.3	13%	0.131	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-46.4	171.6	-73.4	173.7	0	0	0	111.9	I66 L67 K68 S74 M164 L167 V168	I66-L70 WeakPolarHBondContact O-CG 3.35Å; I66-L70 PolarHBondContact O-N 2.67Å; L67-L70 HydrophobicContact CD2-CD1 4.4Å; L67-L70 WeakPolarHBondContact O-CB 3.16Å; L67-L70 PolarHBondContact O-N 2.87Å; K68-L70 VanDerWaalsContact C-N 3.31Å; K68-L70 PolarHBondContact O-N 2.76Å; L70-S74 WeakPolarHBondContact O-CB 3.2Å; L70-S74 PolarHBondContact O-N 2.75Å; L70-S74 PolarHBondContact O-OG 3.14Å; L70-S74 VanDerWaalsContact O-OG 3.11Å; L70-M164 HydrophobicContact CD2-CG 3.95Å; L70-L167 HydrophobicContact CD1-CD2 4.25Å; L70-L167 HydrophobicContact CD2-CB 4.05Å; L70-L167 HydrophobicContact CD2-CD2 3.44Å; L70-L167 VanDerWaalsContact CD2-CD2 3.44Å; L70-L167 HydrophobicContact CD2-CG 4.39Å; L70-L167 HydrophobicContact CG-CD2 3.41Å; L70-L167 VanDerWaalsContact CG-CD2 3.41Å; L70-V168 HydrophobicContact CD1-CG2 3.81Å; L70-V168 HydrophobicContact CD2-CG2 3.53Å; L70-V168 HydrophobicContact CG-CG2 4.33Å
71	V	50.1	Low	49.6	Very low	47 Å²	47	57.3 Å²	57.3	29%	0.285	30%	0.304	S	S	.	.	H	α-helix	trans	-62	-53.1	179.7	173.5	0	0	0	0	110.2	V46 L67 K68 L73 S74 V75	V46-V71 HydrophobicContact CB-CG2 4.49Å; V46-V71 HydrophobicContact CG2-CG2 4.1Å; L67-V71 WeakPolarHBondContact O-CG2 3.13Å; L67-V71 PolarHBondContact O-N 3.04Å; K68-V71 PolarHBondContact O-N 3.21Å; K68-V71 VanDerWaalsContact O-N 3.15Å; V71-L73 PolarHBondContact O-N 2.97Å; V71-S74 WeakPolarHBondContact CA-OG 3.43Å; V71-S74 CarbonylContact O-C 3.59Å; V71-S74 PolarHBondContact O-N 3.21Å; V71-S74 VanDerWaalsContact O-N 3.13Å; V71-S74 PolarHBondContact O-OG 2.6Å; V71-V75 HydrophobicContact CG1-CG2 4.3Å; V71-V75 WeakPolarHBondContact O-CG2 3.47Å; V71-V75 PolarHBondContact O-N 3.19Å
72	E	52.2	Low	50	Low	99 Å²	99	57.4 Å²	57.4	46%	0.463	30%	0.298	S	S	.	.	H	α-helix	trans	-58.1	-47.8	179	-71.8	179.7	-177.1	0	0	111.9	K68 S74 V75 T76	K68-E72 WeakPolarHBondContact CE-OE1 3.24Å; K68-E72 IonicContact NZ-OE1 3.77Å; K68-E72 PolarHBondContact O-N 3.18Å; E72-S74 VanDerWaalsContact C-N 3.3Å; E72-S74 PolarHBondContact O-N 2.81Å; E72-V75 PolarHBondContact O-N 3.03Å; E72-T76 PolarHBondContact O-N 3.13Å; E72-T76 PolarHBondContact O-OG1 2.86Å
73	L	51.2	Low	50.4	Low	43 Å²	43	55.8 Å²	55.8	23%	0.225	28%	0.281	C	S	.	.	H	α-helix	trans	-64.8	-37.9	178.7	-150.4	165.8	0	0	0	110.2	N69 V71 L77 K160 A163 M164	N69-L73 WeakPolarHBondContact O-CB 2.92Å; N69-L73 PolarHBondContact O-N 3.27Å; V71-L73 PolarHBondContact O-N 2.97Å; L73-L77 HydrophobicContact CD2-CD1 3.62Å; L73-L77 WeakPolarHBondContact O-CA 3.32Å; L73-L77 WeakPolarHBondContact O-CB 3.24Å; L73-L77 PolarHBondContact O-N 3.45Å; L73-K160 HydrophobicContact CD2-CB 3.96Å; L73-K160 HydrophobicContact CD2-CG 4.48Å; L73-K160 WeakPolarHBondContact CD2-O 3.39Å; L73-A163 HydrophobicContact CD1-CB 4.44Å; L73-M164 HydrophobicContact CB-CG 4.17Å; L73-M164 HydrophobicContact CB-SD 4.24Å; L73-M164 HydrophobicContact CD2-CB 4.11Å; L73-M164 HydrophobicContact CD2-CG 3.91Å; L73-M164 HydrophobicContact CD2-SD 3.81Å; L73-M164 HydrophobicContact CG-CG 4.41Å
74	S	51	Low	50.6	Low	25 Å²	25	55.5 Å²	55.5	18%	0.175	28%	0.277	C	S	.	.	H	α-helix	trans	-72.4	-31.2	179.2	77.6	0	0	0	0	115.2	L70 V71 E72 L77 R78 M164	L70-S74 WeakPolarHBondContact O-CB 3.2Å; L70-S74 PolarHBondContact O-N 2.75Å; L70-S74 PolarHBondContact O-OG 3.14Å; L70-S74 VanDerWaalsContact O-OG 3.11Å; V71-S74 WeakPolarHBondContact CA-OG 3.43Å; V71-S74 CarbonylContact O-C 3.59Å; V71-S74 PolarHBondContact O-N 3.21Å; V71-S74 VanDerWaalsContact O-N 3.13Å; V71-S74 PolarHBondContact O-OG 2.6Å; E72-S74 VanDerWaalsContact C-N 3.3Å; E72-S74 PolarHBondContact O-N 2.81Å; S74-L77 CarbonylContact O-C 3.13Å; S74-L77 VanDerWaalsContact O-CB 3.28Å; S74-L77 WeakPolarHBondContact O-CB 3.27Å; S74-R78 PolarHBondContact O-N 3.2Å; S74-M164 WeakPolarHBondContact CA-SD 3.2Å; S74-M164 VanDerWaalsContact CB-SD 3.57Å; S74-M164 PolarHBondContact N-SD 3.17Å; S74-M164 VanDerWaalsContact N-SD 3.4Å
75	V	48.1	Very low	50.8	Low	78 Å²	78	51.3 Å²	51.3	47%	0.473	26%	0.258	S	S	.	.	H	α-helix	trans	-77	-43.7	174.4	168.9	0	0	0	0	109.8	V71 E72 L77 R78 H79	V71-V75 HydrophobicContact CG1-CG2 4.3Å; V71-V75 WeakPolarHBondContact O-CG2 3.47Å; V71-V75 PolarHBondContact O-N 3.19Å; E72-V75 PolarHBondContact O-N 3.03Å; V75-L77 VanDerWaalsContact C-N 3.33Å; V75-R78 PolarHBondContact O-N 3.01Å; V75-H79 PolarHBondContact O-N 3.48Å
76	T	53	Low	50.6	Low	66 Å²	66	49.2 Å²	49.2	41%	0.405	25%	0.245	S	C	.	.	H	α-helix	trans	-56.1	-58.4	170.3	-34	0	0	0	0	105.9	E72 R78 H79 N218	E72-T76 PolarHBondContact O-N 3.13Å; E72-T76 PolarHBondContact O-OG1 2.86Å; T76-R78 PolarHBondContact O-N 2.91Å; T76-H79 PolarHBondContact O-N 2.94Å; T76-H79 VanDerWaalsContact O-N 3.07Å; T76-N218 VanDerWaalsContact C-ND2 3.31Å; T76-N218 WeakPolarHBondContact CB-OD1 3.41Å; T76-N218 WeakPolarHBondContact CG2-OD1 3.4Å
77	L	52.1	Low	50.5	Low	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-34.8	-70.7	168.4	-128.6	84.1	0	0	0	108.4	L73 S74 V75 H79 D80 K160 M161 M164 V211 N214 A215 N218	L73-L77 HydrophobicContact CD2-CD1 3.62Å; L73-L77 WeakPolarHBondContact O-CA 3.32Å; L73-L77 WeakPolarHBondContact O-CB 3.24Å; L73-L77 PolarHBondContact O-N 3.45Å; S74-L77 CarbonylContact O-C 3.13Å; S74-L77 VanDerWaalsContact O-CB 3.28Å; S74-L77 WeakPolarHBondContact O-CB 3.27Å; V75-L77 VanDerWaalsContact C-N 3.33Å; L77-H79 PolarHBondContact O-N 3.07Å; L77-D80 VanDerWaalsContact C-OD2 3.26Å; L77-D80 WeakPolarHBondContact CA-OD2 3.31Å; L77-D80 PolarHBondContact O-N 3.07Å; L77-K160 HydrophobicContact CD1-CB 3.9Å; L77-M161 HydrophobicContact CD1-CG 4.3Å; L77-M161 HydrophobicContact CD2-CG 4.28Å; L77-M164 HydrophobicContact CB-SD 4.37Å; L77-M164 HydrophobicContact CD1-SD 4.14Å; L77-M164 HydrophobicContact CD2-CE 3.82Å; L77-M164 HydrophobicContact CD2-SD 3.85Å; L77-M164 HydrophobicContact CG-SD 4.32Å; L77-V211 HydrophobicContact CD2-CG1 4.46Å; L77-V211 HydrophobicContact CD2-CG2 3.98Å; L77-N214 HydrophobicContact CB-CB 3.62Å; L77-N214 HydrophobicContact CD2-CB 3.6Å; L77-N214 HydrophobicContact CG-CB 3.5Å; L77-N214 CarbonylContact O-C 3.57Å; L77-N214 WeakPolarHBondContact O-CA 3.18Å; L77-N214 VanDerWaalsContact O-CB 3.29Å; L77-N214 WeakPolarHBondContact O-CB 3.23Å; L77-A215 HydrophobicContact CD1-CB 3.55Å; L77-A215 HydrophobicContact CG-CB 3.81Å; L77-A215 PolarHBondContact O-N 2.86Å; L77-N218 WeakPolarHBondContact CA-ND2 3.17Å; L77-N218 PolarHBondContact N-ND2 2.87Å
78	R	52.1	Low	50.1	Low	150 Å²	150	48.7 Å²	48.7	57%	0.566	25%	0.245	S	C	*	.	H	α-helix	trans	-51.2	-30.5	-169.1	-178.9	170.6	166.3	-113.2	-27	117	S74 V75 T76 D80 E82 E213 N214	S74-R78 PolarHBondContact O-N 3.2Å; V75-R78 PolarHBondContact O-N 3.01Å; T76-R78 PolarHBondContact O-N 2.91Å; R78-D80 PolarHBondContact O-N 3.16Å; R78-E82 IonicContact CZ-OE1 3.38Å; R78-E82 IonicContact NE-OE1 3.16Å; R78-E82 PolarHBondContact NE-OE1 2.68Å; R78-E82 VanDerWaalsContact NE-OE1 3.16Å; R78-E82 IonicContact NH2-OE1 2.76Å; R78-E82 PolarHBondContact NH2-OE1 2.91Å; R78-E213 VanDerWaalsContact O-O 3.11Å; R78-N214 WeakPolarHBondContact CA-OD1 3.26Å
79	H	51.2	Low	49.3	Very low	120 Å²	120	49.6 Å²	49.6	56%	0.556	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.3	179.5	-90.1	-62.4	0	0	0	114.9	V75 T76 L77	V75-H79 PolarHBondContact O-N 3.48Å; T76-H79 PolarHBondContact O-N 2.94Å; T76-H79 VanDerWaalsContact O-N 3.07Å; L77-H79 PolarHBondContact O-N 3.07Å
80	D	54	Low	48.7	Very low	3 Å²	3	51.9 Å²	51.9	2%	0.016	26%	0.261	C	S	.	.	S	Bend	trans	-119.4	-33.3	-134.8	10.3	-119.6	0	0	0	120.4	L77 R78 E82 A83 E213 N214 A215 S216 D217 N218	L77-D80 VanDerWaalsContact C-OD2 3.26Å; L77-D80 WeakPolarHBondContact CA-OD2 3.31Å; L77-D80 PolarHBondContact O-N 3.07Å; R78-D80 PolarHBondContact O-N 3.16Å; D80-E82 PolarHBondContact O-N 2.98Å; D80-A83 PolarHBondContact O-N 2.74Å; D80-E213 PolarHBondContact N-O 2.98Å; D80-N214 CarbonylContact C-O 3.59Å; D80-N214 WeakPolarHBondContact CA-O 3.19Å; D80-N214 WeakPolarHBondContact CB-O 3.44Å; D80-N214 PolarHBondContact N-O 3.48Å; D80-N214 VanDerWaalsContact OD2-C 3.22Å; D80-A215 WeakPolarHBondContact OD2-CA 3.46Å; D80-A215 PolarHBondContact OD2-N 2.87Å; D80-S216 VanDerWaalsContact C-N 3.25Å; D80-S216 VanDerWaalsContact CB-N 3.3Å; D80-S216 CarbonylContact O-C 3.11Å; D80-S216 WeakPolarHBondContact O-CA 3.32Å; D80-S216 WeakPolarHBondContact O-CB 3.43Å; D80-S216 PolarHBondContact O-N 2.84Å; D80-D217 VanDerWaalsContact CA-OD2 3.25Å; D80-D217 WeakPolarHBondContact CA-OD2 3.42Å; D80-D217 HydrophobicContact CB-CB 3.4Å; D80-D217 PolarHBondContact O-N 3.19Å; D80-N218 HydrophobicContact CB-CB 4.28Å; D80-N218 WeakPolarHBondContact OD1-CA 3.08Å; D80-N218 WeakPolarHBondContact OD1-CB 3.43Å; D80-N218 PolarHBondContact OD1-N 3.42Å; D80-N218 WeakPolarHBondContact OD2-CB 3.47Å; D80-N218 PolarHBondContact OD2-N 2.96Å; D80-N218 PolarHBondContact OD2-ND2 3.2Å
81	L	52.9	Low	48.3	Very low	0 Å²	0	52 Å²	52	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.2	166.4	-24.9	110.1	0	0	0	107.5	A83 L84 Y85 T157 M161 V211 K212 E213 N214 A215 S216	L81-A83 PolarHBondContact O-N 3.17Å; L81-L84 PolarHBondContact O-N 2.84Å; L81-Y85 HydrophobicContact CB-CD2 3.5Å; L81-Y85 HydrophobicContact CB-CE2 3.83Å; L81-Y85 HydrophobicContact CD2-CD2 3.89Å; L81-Y85 HydrophobicContact CD2-CE2 3.41Å; L81-Y85 VanDerWaalsContact CD2-CE2 3.41Å; L81-Y85 HydrophobicContact CG-CD2 4.41Å; L81-Y85 HydrophobicContact CG-CE2 4.34Å; L81-Y85 CarbonylContact O-C 3.27Å; L81-Y85 WeakPolarHBondContact O-CA 3.39Å; L81-Y85 PolarHBondContact O-N 2.88Å; L81-T157 HydrophobicContact CD1-CG2 4.01Å; L81-T157 HydrophobicContact CD2-CG2 3.16Å; L81-T157 HydrophobicContact CG-CG2 3.75Å; L81-M161 HydrophobicContact CD1-CE 3.59Å; L81-M161 HydrophobicContact CD2-CE 4.16Å; L81-V211 VanDerWaalsContact CD1-C 3.48Å; L81-V211 WeakPolarHBondContact CD1-O 2.97Å; L81-K212 VanDerWaalsContact CB-C 3.41Å; L81-K212 WeakPolarHBondContact CB-O 2.9Å; L81-K212 VanDerWaalsContact CD1-C 3.5Å; L81-K212 HydrophobicContact CD1-CB 4.3Å; L81-K212 HydrophobicContact CD1-CG 4.27Å; L81-K212 HydrophobicContact CD2-CB 4.38Å; L81-K212 HydrophobicContact CD2-CG 3.54Å; L81-K212 HydrophobicContact CG-CG 4.42Å; L81-E213 CarbonylContact C-O 3.01Å; L81-E213 VanDerWaalsContact CA-CA 3.4Å; L81-E213 VanDerWaalsContact CA-O 3.29Å; L81-E213 WeakPolarHBondContact CA-O 3.25Å; L81-E213 PolarHBondContact N-O 2.69Å; L81-N214 HydrophobicContact CD1-CB 4.2Å; L81-N214 VanDerWaalsContact N-C 3.25Å; L81-N214 PolarHBondContact N-O 3.38Å; L81-A215 HydrophobicContact CD1-CB 4.2Å; L81-S216 WeakPolarHBondContact CD2-OG 3.4Å; L81-S216 VanDerWaalsContact CG-CB 3.47Å
82	E	53.2	Low	47.7	Very low	66 Å²	66	54.6 Å²	54.6	31%	0.308	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.1	163.9	-71.4	-174.1	-176.8	0	0	110	R78 D80 P86 E213	R78-E82 IonicContact CZ-OE1 3.38Å; R78-E82 IonicContact NE-OE1 3.16Å; R78-E82 PolarHBondContact NE-OE1 2.68Å; R78-E82 VanDerWaalsContact NE-OE1 3.16Å; R78-E82 IonicContact NH2-OE1 2.76Å; R78-E82 PolarHBondContact NH2-OE1 2.91Å; D80-E82 PolarHBondContact O-N 2.98Å; E82-P86 VanDerWaalsContact O-CA 3.27Å; E82-P86 WeakPolarHBondContact O-CA 3.36Å; E82-P86 WeakPolarHBondContact O-CB 3.14Å; E82-E213 HydrophobicContact CG-CB 4.09Å; E82-E213 HydrophobicContact CG-CG 4.41Å; E82-E213 VanDerWaalsContact N-C 3.31Å; E82-E213 PolarHBondContact N-O 3.28Å
83	A	51.4	Low	47.2	Very low	2 Å²	2	53.1 Å²	53.1	2%	0.017	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-8.7	170.3	0	0	0	0	0	116.5	D80 L81 N116 L117 C120 D217 Q220	D80-A83 PolarHBondContact O-N 2.74Å; L81-A83 PolarHBondContact O-N 3.17Å; A83-N116 HydrophobicContact CB-CB 4.07Å; A83-L117 WeakPolarHBondContact O-CD1 3.43Å; A83-C120 HydrophobicContact CB-CB 4.2Å; A83-D217 WeakPolarHBondContact CB-OD2 3.47Å; A83-D217 PolarHBondContact N-OD2 3.19Å; A83-Q220 PolarHBondContact O-NE2 2.72Å; A83-Q220 VanDerWaalsContact O-NE2 3.14Å
84	L	48.3	Very low	46.6	Very low	1 Å²	1	53.8 Å²	53.8	1%	0.005	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-22.1	166.8	-89.8	-152.7	0	0	0	114.2	L81 F91 L117 L150 K153 E154 S216 Q220	L81-L84 PolarHBondContact O-N 2.84Å; L84-F91 VanDerWaalsContact O-CD2 3.31Å; L84-F91 WeakPolarHBondContact O-CD2 3.29Å; L84-F91 WeakPolarHBondContact O-CE2 3.45Å; L84-L117 HydrophobicContact CD2-CD1 4.11Å; L84-L150 HydrophobicContact CD2-CD1 3.37Å; L84-L150 HydrophobicContact CD2-CG 4.11Å; L84-K153 VanDerWaalsContact CD1-O 3.29Å; L84-K153 WeakPolarHBondContact CD1-O 3.37Å; L84-E154 HydrophobicContact CD1-CB 3.8Å; L84-E154 HydrophobicContact CD1-CG 4.49Å; L84-S216 WeakPolarHBondContact CD1-OG 3.36Å; L84-Q220 HydrophobicContact CD2-CG 4.3Å; L84-Q220 HydrophobicContact CG-CG 4.44Å
85	Y	50.5	Low	46.1	Very low	8 Å²	8	60 Å²	60	3%	0.031	30%	0.298	C	S	.	.	S	Bend	trans	-135.7	55.8	176.2	-48	-72.8	0	0	0	109.5	L81 D87 G88 F89 L90 E154 K212	L81-Y85 HydrophobicContact CB-CD2 3.5Å; L81-Y85 HydrophobicContact CB-CE2 3.83Å; L81-Y85 HydrophobicContact CD2-CD2 3.89Å; L81-Y85 HydrophobicContact CD2-CE2 3.41Å; L81-Y85 VanDerWaalsContact CD2-CE2 3.41Å; L81-Y85 HydrophobicContact CG-CD2 4.41Å; L81-Y85 HydrophobicContact CG-CE2 4.34Å; L81-Y85 CarbonylContact O-C 3.27Å; L81-Y85 WeakPolarHBondContact O-CA 3.39Å; L81-Y85 PolarHBondContact O-N 2.88Å; Y85-D87 PolarHBondContact O-N 3.33Å; Y85-G88 PolarHBondContact O-N 2.91Å; Y85-F89 WeakPolarHBondContact CD1-O 3.36Å; Y85-L90 HydrophobicContact CD1-CG 4.33Å; Y85-L90 HydrophobicContact CE1-CD2 3.91Å; Y85-L90 HydrophobicContact CE1-CG 4.13Å; Y85-E154 WeakPolarHBondContact OH-CG 3.27Å; Y85-E154 PolarHBondContact OH-OE1 3.19Å; Y85-E154 PolarHBondContact OH-OE2 2.97Å; Y85-K212 HydrophobicContact CD2-CD 4.26Å; Y85-K212 HydrophobicContact CD2-CG 3.86Å; Y85-K212 WeakPolarHBondContact CD2-O 3.26Å; Y85-K212 HydrophobicContact CE1-CD 4.48Å; Y85-K212 HydrophobicContact CE2-CD 3.98Å; Y85-K212 VanDerWaalsContact CE2-CE 3.45Å; Y85-K212 HydrophobicContact CE2-CG 3.75Å; Y85-K212 VanDerWaalsContact CZ-NZ 3.26Å; Y85-K212 VanDerWaalsContact OH-CE 3.27Å; Y85-K212 WeakPolarHBondContact OH-CE 3.36Å; Y85-K212 PolarHBondContact OH-NZ 3.09Å; Y85-K212 VanDerWaalsContact OH-NZ 3.13Å
86	P	44.3	Very low	45.9	Very low	15 Å²	15	58.9 Å²	58.9	10%	0.097	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-53.5	136.5	171.5	23.2	-31.5	0	0	0	109.3	E82 G88 F91 S113	E82-P86 VanDerWaalsContact O-CA 3.27Å; E82-P86 WeakPolarHBondContact O-CA 3.36Å; E82-P86 WeakPolarHBondContact O-CB 3.14Å; P86-G88 VanDerWaalsContact C-N 3.26Å; P86-G88 PolarHBondContact O-N 3.33Å; P86-F91 HydrophobicContact CG-CZ 4.2Å; P86-S113 WeakPolarHBondContact CG-OG 3.1Å
87	D	44.3	Very low	45.2	Very low	87 Å²	87	63.4 Å²	63.4	47%	0.465	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	67.4	16.6	-174.6	-47.5	-58.5	0	0	0	114.8	Y85 F89 P109 S110	Y85-D87 PolarHBondContact O-N 3.33Å; D87-F89 HydrophobicContact CB-CD2 4.47Å; D87-F89 WeakPolarHBondContact O-CD2 3.15Å; D87-F89 WeakPolarHBondContact O-CE2 3.4Å; D87-P109 HydrophobicContact CB-CG 3.95Å; D87-P109 WeakPolarHBondContact OD2-CG 3.41Å; D87-S110 WeakPolarHBondContact OD2-CB 3.14Å; D87-S110 PolarHBondContact OD2-OG 2.92Å
88	G	40.6	Very low	44.9	Very low	7 Å²	7	67.8 Å²	67.8	7%	0.072	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	72.1	29	172.6	0	0	0	0	0	114.6	Y85 P86 R209 E213	Y85-G88 PolarHBondContact O-N 2.91Å; P86-G88 VanDerWaalsContact C-N 3.26Å; P86-G88 PolarHBondContact O-N 3.33Å; G88-R209 WeakPolarHBondContact O-CD 3.46Å; G88-R209 PolarHBondContact O-NH1 3.41Å; G88-E213 WeakPolarHBondContact CA-OE1 3.04Å; G88-E213 PolarHBondContact N-OE1 3.17Å; G88-E213 VanDerWaalsContact N-OE1 3.12Å
89	F	34.6	Very low	44.9	Very low	132 Å²	132	72.1 Å²	72.1	58%	0.579	34%	0.335	S	S	*	.			trans	-124.3	129.7	178.5	-70.7	-81.1	0	0	0	112.7	Y85 D87 F91	Y85-F89 WeakPolarHBondContact CD1-O 3.36Å; D87-F89 HydrophobicContact CB-CD2 4.47Å; D87-F89 WeakPolarHBondContact O-CD2 3.15Å; D87-F89 WeakPolarHBondContact O-CE2 3.4Å; F89-F91 PolarHBondContact O-N 2.75Å
90	L	36.6	Very low	45.1	Very low	116 Å²	116	69.5 Å²	69.5	61%	0.607	34%	0.34	S	S	*	.			trans	-49.5	118.5	154.4	-99.6	155.2	0	0	0	109	Y85 Q92	Y85-L90 HydrophobicContact CD1-CG 4.33Å; Y85-L90 HydrophobicContact CE1-CD2 3.91Å; Y85-L90 HydrophobicContact CE1-CG 4.13Å; L90-Q92 PolarHBondContact O-N 3.16Å
91	F	42.7	Very low	44.7	Very low	26 Å²	26	72.7 Å²	72.7	11%	0.114	36%	0.363	C	S	.	.			trans	-51	114.9	170.3	-73.7	-71.7	0	0	0	109.1	L84 P86 F89 S93 L106 L117	L84-F91 VanDerWaalsContact O-CD2 3.31Å; L84-F91 WeakPolarHBondContact O-CD2 3.29Å; L84-F91 WeakPolarHBondContact O-CE2 3.45Å; P86-F91 HydrophobicContact CG-CZ 4.2Å; F89-F91 PolarHBondContact O-N 2.75Å; F91-S93 PolarHBondContact O-N 3.28Å; F91-L106 HydrophobicContact CB-CD2 3.76Å; F91-L106 HydrophobicContact CD1-CB 3.8Å; F91-L106 HydrophobicContact CD1-CD2 4.12Å; F91-L106 HydrophobicContact CD1-CG 4.39Å; F91-L106 HydrophobicContact CD2-CD2 4.24Å; F91-L106 HydrophobicContact CE1-CB 4.13Å; F91-L106 HydrophobicContact CG-CB 4.38Å; F91-L106 HydrophobicContact CG-CD2 3.81Å; F91-L117 HydrophobicContact CE2-CD1 4.03Å; F91-L117 HydrophobicContact CZ-CD1 4.11Å; F91-L117 HydrophobicContact CZ-CD2 4.03Å
92	Q	38.1	Very low	44.3	Very low	102 Å²	102	76.1 Å²	76.1	48%	0.477	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	103.7	171.7	-179.7	176.7	31.8	0	0	107.6	L90 L105 R107	L90-Q92 PolarHBondContact O-N 3.16Å; Q92-L105 VanDerWaalsContact O-O 3.14Å; Q92-R107 HydrophobicContact CB-CB 4.45Å
93	S	41.5	Very low	43.9	Very low	69 Å²	69	73.7 Å²	73.7	48%	0.483	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	121.5	-179	46.9	0	0	0	0	111.4	F91 L105	F91-S93 PolarHBondContact O-N 3.28Å; S93-L105 WeakPolarHBondContact CA-O 3.04Å
94	D	38.9	Very low	43.5	Very low	57 Å²	57	74.4 Å²	74.4	31%	0.305	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	140	160.5	-52.6	-64.4	0	0	0	109	L105 R107	D94-L105 HydrophobicContact CB-CB 4.11Å; D94-L105 PolarHBondContact N-O 3.2Å; D94-L105 WeakPolarHBondContact O-CB 3.4Å; D94-L105 PolarHBondContact O-N 3.41Å; D94-R107 IonicContact OD1-NH2 2.67Å; D94-R107 IonicContact OD2-CZ 3.85Å; D94-R107 IonicContact OD2-NE 3.82Å; D94-R107 PolarHBondContact OD2-NE 2.93Å; D94-R107 IonicContact OD2-NH2 3.04Å; D94-R107 PolarHBondContact OD2-NH2 3.49Å
95	F	39.5	Very low	43.5	Very low	155 Å²	155	75.7 Å²	75.7	68%	0.68	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	135.8	168.7	-71.9	-106	0	0	0	109.6	F104	F95-F104 HydrophobicContact CD1-CD1 4.44Å; F95-F104 AromaticContact CD1-CE1 3.92Å; F95-F104 HydrophobicContact CD1-CE1 3.92Å; F95-F104 HydrophobicContact CD1-CE2 4.29Å; F95-F104 AromaticContact CD1-CZ 3.82Å; F95-F104 HydrophobicContact CD1-CZ 3.82Å; F95-F104 HydrophobicContact CD2-CE1 4.35Å; F95-F104 HydrophobicContact CE1-CD1 4.24Å; F95-F104 AromaticContact CE1-CE1 3.31Å; F95-F104 HydrophobicContact CE1-CE1 3.31Å; F95-F104 AromaticContact CE1-CE2 3.88Å; F95-F104 HydrophobicContact CE1-CE2 3.88Å; F95-F104 AromaticContact CE1-CZ 3.07Å; F95-F104 HydrophobicContact CE1-CZ 3.07Å; F95-F104 HydrophobicContact CE2-CD1 4.49Å; F95-F104 AromaticContact CE2-CE1 3.77Å; F95-F104 HydrophobicContact CE2-CE1 3.77Å; F95-F104 HydrophobicContact CE2-CZ 4.37Å; F95-F104 HydrophobicContact CG-CE1 4.42Å; F95-F104 HydrophobicContact CZ-CD1 4.26Å; F95-F104 AromaticContact CZ-CE1 3.22Å; F95-F104 HydrophobicContact CZ-CE1 3.22Å; F95-F104 AromaticContact CZ-CZ 3.42Å; F95-F104 HydrophobicContact CZ-CZ 3.42Å; F95-F104 VanDerWaalsContact CZ-CZ 3.42Å
96	Y	43.2	Very low	43.3	Very low	55 Å²	55	75.8 Å²	75.8	22%	0.216	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	150.8	167.5	74.8	-73.7	0	0	0	110.9	R98 C103 L105 S141	Y96-R98 HydrophobicContact CD2-CB 4.4Å; Y96-R98 HydrophobicContact CE2-CB 3.95Å; Y96-C103 HydrophobicContact CD1-CB 3.99Å; Y96-C103 WeakPolarHBondContact CD1-O 3.28Å; Y96-C103 HydrophobicContact CE1-CB 3.57Å; Y96-C103 HydrophobicContact CE2-CB 4.15Å; Y96-C103 HydrophobicContact CG-CB 4.46Å; Y96-C103 PolarHBondContact N-O 3.28Å; Y96-C103 WeakPolarHBondContact O-CA 3.03Å; Y96-C103 PolarHBondContact O-N 2.5Å; Y96-L105 HydrophobicContact CD1-CB 3.85Å; Y96-L105 HydrophobicContact CD1-CD1 4.16Å; Y96-L105 HydrophobicContact CD1-CG 4.47Å; Y96-L105 HydrophobicContact CE1-CB 3.88Å; Y96-L105 HydrophobicContact CE1-CD1 4.28Å; Y96-L105 HydrophobicContact CE1-CG 4.32Å; Y96-S141 WeakPolarHBondContact OH-CB 3.43Å; Y96-S141 PolarHBondContact OH-OG 3.46Å
97	Q	39.1	Very low	43.3	Very low	160 Å²	160	79.1 Å²	79.1	75%	0.748	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.7	172.2	-69.9	-177.5	-5.1	0	0	109.9	S101	Q97-S101 WeakPolarHBondContact CA-O 3.15Å
98	R	45.7	Very low	43.3	Very low	92 Å²	92	75.3 Å²	75.3	35%	0.347	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.4	170.9	-169.9	-173.5	-175.9	-159.1	0.9	109.3	Y96 G100 S101 P128 C130	Y96-R98 HydrophobicContact CD2-CB 4.4Å; Y96-R98 HydrophobicContact CE2-CB 3.95Å; R98-G100 PolarHBondContact O-N 3.31Å; R98-S101 PolarHBondContact N-O 3.34Å; R98-S101 PolarHBondContact O-N 3.25Å; R98-S101 VanDerWaalsContact O-N 3.09Å; R98-P128 PolarHBondContact NH1-O 2.96Å; R98-C130 WeakPolarHBondContact CD-SG 3.32Å; R98-C130 PolarHBondContact NE-SG 2.69Å; R98-C130 VanDerWaalsContact NE-SG 3.38Å; R98-C130 PolarHBondContact NH1-SG 3.07Å
99	R	53.1	Low	43.4	Very low	242 Å²	242	79.1 Å²	79.1	91%	0.913	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	39	-178.8	-64	-175.9	173.6	-177.6	-2.9	113.3	S101	R99-S101 PolarHBondContact O-N 2.88Å
100	G	55	Low	44	Very low	65 Å²	65	74.2 Å²	74.2	67%	0.67	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-16.9	179.2	0	0	0	0	0	115.7	R98	R98-G100 PolarHBondContact O-N 3.31Å
101	S	45	Very low	44.4	Very low	70 Å²	70	74.2 Å²	74.2	49%	0.49	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.8	177.1	-54.8	0	0	0	0	111.8	Q97 R98 R99 C103	Q97-S101 WeakPolarHBondContact CA-O 3.15Å; R98-S101 PolarHBondContact N-O 3.34Å; R98-S101 PolarHBondContact O-N 3.25Å; R98-S101 VanDerWaalsContact O-N 3.09Å; R99-S101 PolarHBondContact O-N 2.88Å; S101-C103 PolarHBondContact O-N 2.74Å
102	P	45	Very low	44.6	Very low	71 Å²	71	77.9 Å²	77.9	46%	0.461	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	128.4	169.4	28	-32.2	0	0	0	110.4	A144	P102-A144 HydrophobicContact CB-CB 4.37Å; P102-A144 HydrophobicContact CG-CB 3.91Å
103	C	44.3	Very low	45.2	Very low	15 Å²	15	73.3 Å²	73.3	10%	0.101	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.7	178.5	-67.4	0	0	0	0	109.7	Y96 S101	Y96-C103 HydrophobicContact CD1-CB 3.99Å; Y96-C103 WeakPolarHBondContact CD1-O 3.28Å; Y96-C103 HydrophobicContact CE1-CB 3.57Å; Y96-C103 HydrophobicContact CE2-CB 4.15Å; Y96-C103 HydrophobicContact CG-CB 4.46Å; Y96-C103 PolarHBondContact N-O 3.28Å; Y96-C103 WeakPolarHBondContact O-CA 3.03Å; Y96-C103 PolarHBondContact O-N 2.5Å; S101-C103 PolarHBondContact O-N 2.74Å
104	F	44.4	Very low	45.5	Very low	17 Å²	17	71.7 Å²	71.7	8%	0.075	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.7	176.5	-78.4	-99.3	0	0	0	109.5	F95 L106 S141 I142 A144 L147	F95-F104 HydrophobicContact CD1-CD1 4.44Å; F95-F104 AromaticContact CD1-CE1 3.92Å; F95-F104 HydrophobicContact CD1-CE1 3.92Å; F95-F104 HydrophobicContact CD1-CE2 4.29Å; F95-F104 AromaticContact CD1-CZ 3.82Å; F95-F104 HydrophobicContact CD1-CZ 3.82Å; F95-F104 HydrophobicContact CD2-CE1 4.35Å; F95-F104 HydrophobicContact CE1-CD1 4.24Å; F95-F104 AromaticContact CE1-CE1 3.31Å; F95-F104 HydrophobicContact CE1-CE1 3.31Å; F95-F104 AromaticContact CE1-CE2 3.88Å; F95-F104 HydrophobicContact CE1-CE2 3.88Å; F95-F104 AromaticContact CE1-CZ 3.07Å; F95-F104 HydrophobicContact CE1-CZ 3.07Å; F95-F104 HydrophobicContact CE2-CD1 4.49Å; F95-F104 AromaticContact CE2-CE1 3.77Å; F95-F104 HydrophobicContact CE2-CE1 3.77Å; F95-F104 HydrophobicContact CE2-CZ 4.37Å; F95-F104 HydrophobicContact CG-CE1 4.42Å; F95-F104 HydrophobicContact CZ-CD1 4.26Å; F95-F104 AromaticContact CZ-CE1 3.22Å; F95-F104 HydrophobicContact CZ-CE1 3.22Å; F95-F104 AromaticContact CZ-CZ 3.42Å; F95-F104 HydrophobicContact CZ-CZ 3.42Å; F95-F104 VanDerWaalsContact CZ-CZ 3.42Å; F104-L106 PolarHBondContact O-N 3.22Å; F104-S141 CarbonylContact O-C 3.49Å; F104-S141 WeakPolarHBondContact O-CA 3.36Å; F104-I142 HydrophobicContact CB-CG2 3.54Å; F104-I142 HydrophobicContact CG-CG2 4.44Å; F104-I142 PolarHBondContact N-O 2.69Å; F104-I142 PolarHBondContact O-N 3.36Å; F104-A144 HydrophobicContact CD2-CB 4.38Å; F104-A144 HydrophobicContact CE2-CB 4.02Å; F104-L147 HydrophobicContact CD1-CD1 3.65Å; F104-L147 HydrophobicContact CD2-CB 4.5Å; F104-L147 HydrophobicContact CD2-CD1 3.97Å; F104-L147 HydrophobicContact CD2-CD2 4.47Å; F104-L147 HydrophobicContact CE1-CD1 3.62Å; F104-L147 HydrophobicContact CE1-CD2 3.75Å; F104-L147 HydrophobicContact CE1-CG 4.3Å; F104-L147 HydrophobicContact CE2-CB 4.23Å; F104-L147 HydrophobicContact CE2-CD1 3.97Å; F104-L147 HydrophobicContact CE2-CD2 3.64Å; F104-L147 HydrophobicContact CE2-CG 4.16Å; F104-L147 HydrophobicContact CG-CD1 3.81Å; F104-L147 HydrophobicContact CZ-CD1 3.79Å; F104-L147 HydrophobicContact CZ-CD2 3.21Å; F104-L147 HydrophobicContact CZ-CG 4.02Å
105	L	46.4	Very low	46.2	Very low	29 Å²	29	78.8 Å²	78.8	15%	0.152	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	109.8	179.9	-162.7	153.6	0	0	0	109.3	Q92 S93 D94 Y96 R107 V139 H140	Q92-L105 VanDerWaalsContact O-O 3.14Å; S93-L105 WeakPolarHBondContact CA-O 3.04Å; D94-L105 HydrophobicContact CB-CB 4.11Å; D94-L105 PolarHBondContact N-O 3.2Å; D94-L105 WeakPolarHBondContact O-CB 3.4Å; D94-L105 PolarHBondContact O-N 3.41Å; Y96-L105 HydrophobicContact CD1-CB 3.85Å; Y96-L105 HydrophobicContact CD1-CD1 4.16Å; Y96-L105 HydrophobicContact CD1-CG 4.47Å; Y96-L105 HydrophobicContact CE1-CB 3.88Å; Y96-L105 HydrophobicContact CE1-CD1 4.28Å; Y96-L105 HydrophobicContact CE1-CG 4.32Å; L105-R107 HydrophobicContact CD2-CG 3.42Å; L105-R107 VanDerWaalsContact CD2-CG 3.42Å; L105-V139 HydrophobicContact CD1-CG1 3.82Å; L105-V139 HydrophobicContact CD2-CG1 3.5Å; L105-V139 VanDerWaalsContact CD2-CG1 3.5Å; L105-V139 HydrophobicContact CD2-CG2 4.31Å; L105-V139 HydrophobicContact CG-CG1 3.41Å; L105-V139 VanDerWaalsContact CG-CG1 3.41Å; L105-H140 CarbonylContact C-O 3.2Å; L105-H140 WeakPolarHBondContact CA-O 3.01Å
106	L	48.1	Very low	46.9	Very low	10 Å²	10	74.3 Å²	74.3	5%	0.052	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.5	174.9	-62	178.9	0	0	0	108.9	F91 F104 L117 H140 I142	F91-L106 HydrophobicContact CB-CD2 3.76Å; F91-L106 HydrophobicContact CD1-CB 3.8Å; F91-L106 HydrophobicContact CD1-CD2 4.12Å; F91-L106 HydrophobicContact CD1-CG 4.39Å; F91-L106 HydrophobicContact CD2-CD2 4.24Å; F91-L106 HydrophobicContact CE1-CB 4.13Å; F91-L106 HydrophobicContact CG-CB 4.38Å; F91-L106 HydrophobicContact CG-CD2 3.81Å; F104-L106 PolarHBondContact O-N 3.22Å; L106-L117 HydrophobicContact CD1-CD2 3.74Å; L106-H140 HydrophobicContact CB-CB 4.33Å; L106-H140 PolarHBondContact N-O 3.33Å; L106-H140 PolarHBondContact O-N 2.79Å; L106-I142 HydrophobicContact CD1-CB 3.95Å; L106-I142 HydrophobicContact CD1-CG2 3.79Å; L106-I142 HydrophobicContact CD2-CG2 4.27Å; L106-I142 HydrophobicContact CG-CB 4.49Å; L106-I142 HydrophobicContact CG-CG2 3.94Å
107	R	42.7	Very low	47.2	Very low	85 Å²	85	72.3 Å²	72.3	32%	0.321	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	112.9	174.2	-59.5	-177.5	-176	-174.1	-5.3	109.5	Q92 D94 L105	Q92-R107 HydrophobicContact CB-CB 4.45Å; D94-R107 IonicContact OD1-NH2 2.67Å; D94-R107 IonicContact OD2-CZ 3.85Å; D94-R107 IonicContact OD2-NE 3.82Å; D94-R107 PolarHBondContact OD2-NE 2.93Å; D94-R107 IonicContact OD2-NH2 3.04Å; D94-R107 PolarHBondContact OD2-NH2 3.49Å; L105-R107 HydrophobicContact CD2-CG 3.42Å; L105-R107 VanDerWaalsContact CD2-CG 3.42Å
108	S	45.6	Very low	47.8	Very low	6 Å²	6	69.9 Å²	69.9	4%	0.042	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.1	172.6	-179.3	0	0	0	0	109.8	S110 S113 V138	S108-S110 VanDerWaalsContact C-N 3.34Å; S108-S110 PolarHBondContact OG-N 3.44Å; S108-S110 PolarHBondContact OG-O 3.47Å; S108-S113 PolarHBondContact OG-OG 2.71Å; S108-V138 VanDerWaalsContact O-O 3.09Å
109	P	42.8	Very low	48.2	Very low	87 Å²	87	74.9 Å²	74.9	57%	0.565	38%	0.376	S	S	*	.	S	Bend	trans	-76.8	-17.7	172.1	31.5	-32.7	0	0	0	113.2	D87	D87-P109 HydrophobicContact CB-CG 3.95Å; D87-P109 WeakPolarHBondContact OD2-CG 3.41Å
110	S	46.5	Very low	47.9	Very low	29 Å²	29	64 Å²	64	20%	0.203	34%	0.337	C	S	.	.			trans	-125.6	146.7	-171	68.3	0	0	0	0	114.2	D87 S108 S113	D87-S110 WeakPolarHBondContact OD2-CB 3.14Å; D87-S110 PolarHBondContact OD2-OG 2.92Å; S108-S110 VanDerWaalsContact C-N 3.34Å; S108-S110 PolarHBondContact OG-N 3.44Å; S108-S110 PolarHBondContact OG-O 3.47Å; S110-S113 WeakPolarHBondContact O-CB 2.85Å; S110-S113 VanDerWaalsContact OG-CB 3.31Å; S110-S113 WeakPolarHBondContact OG-CB 3.05Å
111	L	44.3	Very low	47.6	Very low	116 Å²	116	60.9 Å²	60.9	61%	0.607	31%	0.305	S	S	*	.	S	Bend	trans	-78.9	-28.4	176	-74	170.7	0	0	0	113	S113 L114 V138	L111-S113 VanDerWaalsContact C-N 3.34Å; L111-L114 PolarHBondContact O-N 3.13Å; L111-V138 HydrophobicContact CD2-CG1 3.93Å; L111-V138 HydrophobicContact CD2-CG2 4.41Å
112	T	46.9	Very low	47.7	Very low	104 Å²	104	57.8 Å²	57.8	64%	0.638	28%	0.284	S	S	*	.	H	α-helix	trans	-65.4	-40	-177.9	-39.9	0	0	0	0	111.4	L114 R115	T112-L114 PolarHBondContact O-N 2.98Å; T112-R115 PolarHBondContact O-N 2.97Å; T112-R115 VanDerWaalsContact O-N 3.16Å
113	S	51	Low	47.8	Very low	5 Å²	5	62.5 Å²	62.5	4%	0.035	30%	0.3	C	S	.	.	H	α-helix	trans	-38.4	-40.9	167.7	153.4	0	0	0	0	113.3	P86 S108 S110 L111 N116 L117	P86-S113 WeakPolarHBondContact CG-OG 3.1Å; S108-S113 PolarHBondContact OG-OG 2.71Å; S110-S113 WeakPolarHBondContact O-CB 2.85Å; S110-S113 VanDerWaalsContact OG-CB 3.31Å; S110-S113 WeakPolarHBondContact OG-CB 3.05Å; L111-S113 VanDerWaalsContact C-N 3.34Å; S113-N116 PolarHBondContact O-N 3.43Å; S113-L117 WeakPolarHBondContact O-CB 3.19Å; S113-L117 PolarHBondContact O-N 2.87Å
114	L	49	Very low	47.6	Very low	35 Å²	35	64 Å²	64	18%	0.183	32%	0.317	C	S	.	.	H	α-helix	trans	-78.2	-32.2	-172.3	-172.2	138.3	0	0	0	114.4	L111 T112 N116 L117 K118 L129 H140	L111-L114 PolarHBondContact O-N 3.13Å; T112-L114 PolarHBondContact O-N 2.98Å; L114-N116 VanDerWaalsContact C-N 3.29Å; L114-L117 PolarHBondContact O-N 2.8Å; L114-K118 PolarHBondContact O-N 2.66Å; L114-L129 HydrophobicContact CD1-CD1 3.7Å; L114-L129 HydrophobicContact CD1-CD2 3.69Å; L114-L129 HydrophobicContact CD1-CG 4.33Å; L114-L129 HydrophobicContact CD2-CD1 3.65Å; L114-L129 HydrophobicContact CG-CD1 4.23Å; L114-H140 HydrophobicContact CD1-CB 3.85Å; L114-H140 WeakPolarHBondContact CD1-ND1 3.22Å
115	R	53.6	Low	47.6	Very low	206 Å²	206	64.7 Å²	64.7	78%	0.777	32%	0.322	S	S	*	.	H	α-helix	trans	-65.3	-38.7	172.4	-79.6	-171.9	178.8	-179	0.5	110.5	T112 R119	T112-R115 PolarHBondContact O-N 2.97Å; T112-R115 VanDerWaalsContact O-N 3.16Å; R115-R119 WeakPolarHBondContact O-CB 3.4Å; R115-R119 PolarHBondContact O-N 2.98Å; R115-R119 VanDerWaalsContact O-N 3.07Å
116	N	53.2	Low	47.3	Very low	62 Å²	62	72 Å²	72	33%	0.332	36%	0.355	S	S	.	.	H	α-helix	trans	-65.2	-52.2	175.2	-64.5	-2.6	0	0	0	109.8	A83 S113 L114 K118 R119 C120	A83-N116 HydrophobicContact CB-CB 4.07Å; S113-N116 PolarHBondContact O-N 3.43Å; L114-N116 VanDerWaalsContact C-N 3.29Å; N116-K118 VanDerWaalsContact C-N 3.3Å; N116-K118 PolarHBondContact O-N 3.45Å; N116-R119 WeakPolarHBondContact O-CB 3.37Å; N116-R119 PolarHBondContact O-N 2.67Å; N116-C120 VanDerWaalsContact O-CB 3.27Å; N116-C120 WeakPolarHBondContact O-CB 3.22Å; N116-C120 PolarHBondContact O-N 3.27Å
117	L	49.9	Very low	47.1	Very low	12 Å²	12	72.3 Å²	72.3	6%	0.063	36%	0.359	C	S	.	.	H	α-helix	trans	-54.1	-40.3	177.8	-167.6	72.2	0	0	0	113.3	A83 L84 F91 L106 S113 L114 I121 L150 Q220	A83-L117 WeakPolarHBondContact O-CD1 3.43Å; L84-L117 HydrophobicContact CD2-CD1 4.11Å; F91-L117 HydrophobicContact CE2-CD1 4.03Å; F91-L117 HydrophobicContact CZ-CD1 4.11Å; F91-L117 HydrophobicContact CZ-CD2 4.03Å; L106-L117 HydrophobicContact CD1-CD2 3.74Å; S113-L117 WeakPolarHBondContact O-CB 3.19Å; S113-L117 PolarHBondContact O-N 2.87Å; L114-L117 PolarHBondContact O-N 2.8Å; L117-I121 HydrophobicContact CD1-CD1 3.74Å; L117-I121 HydrophobicContact CD1-CG1 4.26Å; L117-I121 HydrophobicContact CD2-CD1 4.34Å; L117-I121 HydrophobicContact CG-CD1 3.68Å; L117-I121 HydrophobicContact CG-CG1 4.4Å; L117-I121 WeakPolarHBondContact O-CB 3.27Å; L117-I121 WeakPolarHBondContact O-CG1 3.46Å; L117-I121 PolarHBondContact O-N 2.61Å; L117-L150 HydrophobicContact CD1-CD1 4.36Å; L117-Q220 PolarHBondContact O-OE1 2.74Å
118	K	52.3	Low	47	Very low	109 Å²	109	72.8 Å²	72.8	47%	0.474	37%	0.373	S	S	.	.	H	α-helix	trans	-68.5	-47.2	174.8	-170.6	-173.2	176.1	-167.8	0	112.2	L114 N116 C120 G122	L114-K118 PolarHBondContact O-N 2.66Å; N116-K118 VanDerWaalsContact C-N 3.3Å; N116-K118 PolarHBondContact O-N 3.45Å; K118-C120 PolarHBondContact O-N 3.33Å; K118-G122 PolarHBondContact O-N 3.05Å
119	R	52.8	Low	46.9	Very low	198 Å²	198	76 Å²	76	75%	0.747	39%	0.389	S	S	*	.	H	α-helix	trans	-53.3	-37.7	176.9	172.7	-176	-69.8	165.3	-3.9	111.1	R115 N116	R115-R119 WeakPolarHBondContact O-CB 3.4Å; R115-R119 PolarHBondContact O-N 2.98Å; R115-R119 VanDerWaalsContact O-N 3.07Å; N116-R119 WeakPolarHBondContact O-CB 3.37Å; N116-R119 PolarHBondContact O-N 2.67Å
120	C	47.5	Very low	47	Very low	12 Å²	12	72.4 Å²	72.4	8%	0.081	37%	0.366	C	S	.	.	H	α-helix	trans	-98.7	-33.1	-164.8	-114.3	0	0	0	0	112.5	A83 N116 K118 K153 D217 Q220 N224	A83-C120 HydrophobicContact CB-CB 4.2Å; N116-C120 VanDerWaalsContact O-CB 3.27Å; N116-C120 WeakPolarHBondContact O-CB 3.22Å; N116-C120 PolarHBondContact O-N 3.27Å; K118-C120 PolarHBondContact O-N 3.33Å; C120-K153 WeakPolarHBondContact O-CE 3.29Å; C120-K153 PolarHBondContact O-NZ 2.89Å; C120-K153 VanDerWaalsContact O-NZ 3.17Å; C120-D217 WeakPolarHBondContact SG-CB 3.37Å; C120-D217 PolarHBondContact SG-OD1 2.97Å; C120-Q220 VanDerWaalsContact C-CG 3.45Å; C120-Q220 VanDerWaalsContact C-OE1 3.26Å; C120-Q220 HydrophobicContact CB-CB 3.42Å; C120-Q220 VanDerWaalsContact CB-CB 3.42Å; C120-Q220 HydrophobicContact CB-CG 3.8Å; C120-Q220 VanDerWaalsContact CB-OE1 3.25Å; C120-Q220 CarbonylContact O-C 2.79Å; C120-Q220 WeakPolarHBondContact O-CB 3.36Å; C120-Q220 WeakPolarHBondContact O-CG 3.46Å; C120-Q220 VanDerWaalsContact SG-CB 3.55Å; C120-N224 PolarHBondContact O-ND2 2.96Å
121	I	48.8	Very low	46.7	Very low	0 Å²	0	76.7 Å²	76.7	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-69.5	-38	166.2	-61.6	169	0	0	0	111.1	L117 I125 I142 L149 L150 Q220 N224	L117-I121 HydrophobicContact CD1-CD1 3.74Å; L117-I121 HydrophobicContact CD1-CG1 4.26Å; L117-I121 HydrophobicContact CD2-CD1 4.34Å; L117-I121 HydrophobicContact CG-CD1 3.68Å; L117-I121 HydrophobicContact CG-CG1 4.4Å; L117-I121 WeakPolarHBondContact O-CB 3.27Å; L117-I121 WeakPolarHBondContact O-CG1 3.46Å; L117-I121 PolarHBondContact O-N 2.61Å; I121-I125 HydrophobicContact CB-CD1 3.81Å; I121-I125 HydrophobicContact CD1-CD1 3.6Å; I121-I125 HydrophobicContact CG1-CD1 4.29Å; I121-I125 HydrophobicContact CG2-CD1 3.81Å; I121-I125 HydrophobicContact CG2-CG1 4.13Å; I121-I142 HydrophobicContact CD1-CD1 3.71Å; I121-L149 HydrophobicContact CG2-CB 3.91Å; I121-L150 HydrophobicContact CD1-CD1 3.34Å; I121-L150 HydrophobicContact CG1-CD1 3.87Å; I121-Q220 HydrophobicContact CG1-CG 4.48Å; I121-Q220 VanDerWaalsContact CG1-OE1 3.29Å; I121-Q220 VanDerWaalsContact N-OE1 3.07Å; I121-N224 VanDerWaalsContact C-ND2 3.3Å; I121-N224 PolarHBondContact O-ND2 3.32Å; I121-N224 PolarHBondContact O-OD1 3.43Å
122	G	47.6	Very low	46.5	Very low	6 Å²	6	78.7 Å²	78.7	6%	0.062	39%	0.387	C	S	.	.			trans	111.9	176.7	-176.5	0	0	0	0	0	113.9	K118 G124 N224	K118-G122 PolarHBondContact O-N 3.05Å; G122-G124 PolarHBondContact O-N 2.99Å; G122-G124 VanDerWaalsContact O-N 3.13Å; G122-N224 WeakPolarHBondContact CA-ND2 3.29Å; G122-N224 WeakPolarHBondContact CA-OD1 3.26Å; G122-N224 PolarHBondContact N-ND2 2.92Å
123	E	46.3	Very low	46.1	Very low	170 Å²	170	81.7 Å²	81.7	79%	0.794	39%	0.394	S	S	*	.	S	Bend	trans	-72.4	-4.2	-174	-57.8	-152	127.2	0	0	114.6	I125	E123-I125 PolarHBondContact O-N 2.6Å
124	G	40.1	Very low	45.4	Very low	45 Å²	45	88.6 Å²	88.6	46%	0.464	42%	0.424	S	S	.	.			trans	-71.6	18.1	178.1	0	0	0	0	0	116.6	G122 S146	G122-G124 PolarHBondContact O-N 2.99Å; G122-G124 VanDerWaalsContact O-N 3.13Å; G124-S146 PolarHBondContact O-OG 2.59Å
125	I	44	Very low	45.1	Very low	32 Å²	32	93.5 Å²	93.5	16%	0.164	46%	0.457	C	S	.	.			trans	-109.9	93.4	175.5	-52.1	178.9	0	0	0	109.7	I121 E123 A127 I142	I121-I125 HydrophobicContact CB-CD1 3.81Å; I121-I125 HydrophobicContact CD1-CD1 3.6Å; I121-I125 HydrophobicContact CG1-CD1 4.29Å; I121-I125 HydrophobicContact CG2-CD1 3.81Å; I121-I125 HydrophobicContact CG2-CG1 4.13Å; E123-I125 PolarHBondContact O-N 2.6Å; I125-A127 HydrophobicContact CG2-CB 4.16Å; I125-I142 HydrophobicContact CD1-CD1 3.95Å; I125-I142 HydrophobicContact CD1-CG1 4.3Å; I125-I142 HydrophobicContact CG2-CG1 4.36Å
126	Q	40.3	Very low	44.6	Very low	184 Å²	184	95.1 Å²	95.1	86%	0.86	46%	0.464	S	S	*	.			trans	-91.1	2.3	170.2	-69.2	-165.9	8.1	0	0	113.6	P128	Q126-P128 VanDerWaalsContact O-CD 3.31Å; Q126-P128 WeakPolarHBondContact O-CD 3.25Å
127	A	43.5	Very low	44	Very low	15 Å²	15	100.1 Å²	100.1	12%	0.124	48%	0.478	C	S	.	.			trans	-57.9	121.8	179.5	0	0	0	0	0	112	I125 L129 S143	I125-A127 HydrophobicContact CG2-CB 4.16Å; A127-L129 PolarHBondContact O-N 2.78Å; A127-S143 VanDerWaalsContact CB-N 3.33Å; A127-S143 WeakPolarHBondContact CB-OG 3.28Å
128	P	41	Very low	43.7	Very low	95 Å²	95	101 Å²	101	62%	0.617	48%	0.483	S	S	*	.			trans	-71.1	93.1	176.1	26.8	-32.6	0	0	0	109.8	R98 Q126 C130	R98-P128 PolarHBondContact NH1-O 2.96Å; Q126-P128 VanDerWaalsContact O-CD 3.31Å; Q126-P128 WeakPolarHBondContact O-CD 3.25Å; P128-C130 PolarHBondContact O-N 3.25Å
129	L	44.4	Very low	43.3	Very low	74 Å²	74	96.5 Å²	96.5	39%	0.387	47%	0.465	S	S	.	.			trans	-44.7	107.5	179.3	-73.2	163.5	0	0	0	111.8	L114 A127 N131 H140 S141	L114-L129 HydrophobicContact CD1-CD1 3.7Å; L114-L129 HydrophobicContact CD1-CD2 3.69Å; L114-L129 HydrophobicContact CD1-CG 4.33Å; L114-L129 HydrophobicContact CD2-CD1 3.65Å; L114-L129 HydrophobicContact CG-CD1 4.23Å; A127-L129 PolarHBondContact O-N 2.78Å; L129-N131 PolarHBondContact O-N 3.15Å; L129-N131 VanDerWaalsContact O-N 3.14Å; L129-H140 HydrophobicContact CD2-CB 4.15Å; L129-S141 WeakPolarHBondContact CA-OG 3.05Å; L129-S141 VanDerWaalsContact CD2-O 3.31Å; L129-S141 WeakPolarHBondContact CD2-O 3.35Å
130	C	43.6	Very low	43.2	Very low	11 Å²	11	87.5 Å²	87.5	7%	0.074	43%	0.432	C	S	.	.			trans	-73.2	104.7	173.3	-65.7	0	0	0	0	109.6	R98 P128 Y132 S141	R98-C130 WeakPolarHBondContact CD-SG 3.32Å; R98-C130 PolarHBondContact NE-SG 2.69Å; R98-C130 VanDerWaalsContact NE-SG 3.38Å; R98-C130 PolarHBondContact NH1-SG 3.07Å; P128-C130 PolarHBondContact O-N 3.25Å; C130-Y132 HydrophobicContact CB-CD2 4.03Å; C130-Y132 PolarHBondContact O-N 2.87Å; C130-S141 PolarHBondContact N-OG 2.66Å
131	N	41.8	Very low	43.2	Very low	120 Å²	120	87 Å²	87	64%	0.642	43%	0.429	S	S	*	.			trans	-67.6	71.8	163.5	-74.1	-18.8	0	0	0	110.4	L129 Q133	L129-N131 PolarHBondContact O-N 3.15Å; L129-N131 VanDerWaalsContact O-N 3.14Å; N131-Q133 VanDerWaalsContact C-N 3.32Å; N131-Q133 PolarHBondContact O-N 2.86Å; N131-Q133 VanDerWaalsContact O-N 3.08Å
132	Y	39.5	Very low	43.3	Very low	157 Å²	157	87.2 Å²	87.2	62%	0.616	43%	0.43	S	S	*	.			trans	-78	87.1	166.7	-104.9	-74.5	0	0	0	108.3	C130 K134 V139	C130-Y132 HydrophobicContact CB-CD2 4.03Å; C130-Y132 PolarHBondContact O-N 2.87Å; Y132-K134 VanDerWaalsContact C-N 3.34Å; Y132-K134 PolarHBondContact O-N 2.82Å; Y132-V139 WeakPolarHBondContact O-CB 3.16Å; Y132-V139 PolarHBondContact O-N 3.25Å
133	Q	37.6	Very low	43.5	Very low	167 Å²	167	87.7 Å²	87.7	78%	0.78	43%	0.432	S	S	*	.			trans	-67.8	95.8	161.6	-76.3	-174.6	-10.6	0	0	108.6	N131	N131-Q133 VanDerWaalsContact C-N 3.32Å; N131-Q133 PolarHBondContact O-N 2.86Å; N131-Q133 VanDerWaalsContact O-N 3.08Å
134	K	37.2	Very low	43.7	Very low	151 Å²	151	80.7 Å²	80.7	66%	0.657	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-75.6	144.9	146.8	-80.6	-171.4	176.1	-178.1	0	106.8	Y132 R136 R137	Y132-K134 VanDerWaalsContact C-N 3.34Å; Y132-K134 PolarHBondContact O-N 2.82Å; K134-R136 PolarHBondContact O-N 3.47Å; K134-R137 PolarHBondContact O-N 3.29Å
135	P	41.8	Very low	44.4	Very low	137 Å²	137	85.1 Å²	85.1	89%	0.89	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	2.4	-161.3	19.9	-33.4	0	0	0	117.6
136	R	43.2	Very low	44.7	Very low	241 Å²	241	83.7 Å²	83.7	91%	0.909	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.8	6.6	173.3	-67.9	-168.6	173.7	-177.9	-2.8	115.4	K134	K134-R136 PolarHBondContact O-N 3.47Å
137	R	41.9	Very low	45.3	Very low	166 Å²	166	76.1 Å²	76.1	63%	0.626	37%	0.374	S	S	*	.	B	Isolated β-bridge	trans	-147.7	130.1	179.7	-64.6	-172.4	-177.2	179.5	-0	111.1	K134	K134-R137 PolarHBondContact O-N 3.29Å
138	V	42.7	Very low	45.7	Very low	30 Å²	30	79.1 Å²	79.1	18%	0.182	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	133.2	167.3	-171.1	0	0	0	0	108	S108 L111 H140	S108-V138 VanDerWaalsContact O-O 3.09Å; L111-V138 HydrophobicContact CD2-CG1 3.93Å; L111-V138 HydrophobicContact CD2-CG2 4.41Å; V138-H140 WeakPolarHBondContact CG1-CE1 3.01Å
139	V	42.8	Very low	46.3	Very low	16 Å²	16	77.4 Å²	77.4	10%	0.097	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.6	174	170.8	0	0	0	0	108.3	L105 Y132	L105-V139 HydrophobicContact CD1-CG1 3.82Å; L105-V139 HydrophobicContact CD2-CG1 3.5Å; L105-V139 VanDerWaalsContact CD2-CG1 3.5Å; L105-V139 HydrophobicContact CD2-CG2 4.31Å; L105-V139 HydrophobicContact CG-CG1 3.41Å; L105-V139 VanDerWaalsContact CG-CG1 3.41Å; Y132-V139 WeakPolarHBondContact O-CB 3.16Å; Y132-V139 PolarHBondContact O-N 3.25Å
140	H	50.7	Low	46.8	Very low	8 Å²	8	74.5 Å²	74.5	4%	0.037	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	165.5	174.2	-62.7	-45.4	0	0	0	110.1	L105 L106 L114 L129 V138	L105-H140 CarbonylContact C-O 3.2Å; L105-H140 WeakPolarHBondContact CA-O 3.01Å; L106-H140 HydrophobicContact CB-CB 4.33Å; L106-H140 PolarHBondContact N-O 3.33Å; L106-H140 PolarHBondContact O-N 2.79Å; L114-H140 HydrophobicContact CD1-CB 3.85Å; L114-H140 WeakPolarHBondContact CD1-ND1 3.22Å; L129-H140 HydrophobicContact CD2-CB 4.15Å; V138-H140 WeakPolarHBondContact CG1-CE1 3.01Å
141	S	47.5	Very low	47.4	Very low	3 Å²	3	79.2 Å²	79.2	2%	0.021	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	121.5	-174.2	62.2	0	0	0	0	113.3	Y96 F104 L129 C130	Y96-S141 WeakPolarHBondContact OH-CB 3.43Å; Y96-S141 PolarHBondContact OH-OG 3.46Å; F104-S141 CarbonylContact O-C 3.49Å; F104-S141 WeakPolarHBondContact O-CA 3.36Å; L129-S141 WeakPolarHBondContact CA-OG 3.05Å; L129-S141 VanDerWaalsContact CD2-O 3.31Å; L129-S141 WeakPolarHBondContact CD2-O 3.35Å; C130-S141 PolarHBondContact N-OG 2.66Å
142	I	52.9	Low	48.1	Very low	4 Å²	4	80.3 Å²	80.3	2%	0.021	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144.4	175.3	-168.9	170.8	0	0	0	110.9	F104 L106 I121 I125	F104-I142 HydrophobicContact CB-CG2 3.54Å; F104-I142 HydrophobicContact CG-CG2 4.44Å; F104-I142 PolarHBondContact N-O 2.69Å; F104-I142 PolarHBondContact O-N 3.36Å; L106-I142 HydrophobicContact CD1-CB 3.95Å; L106-I142 HydrophobicContact CD1-CG2 3.79Å; L106-I142 HydrophobicContact CD2-CG2 4.27Å; L106-I142 HydrophobicContact CG-CB 4.49Å; L106-I142 HydrophobicContact CG-CG2 3.94Å; I121-I142 HydrophobicContact CD1-CD1 3.71Å; I125-I142 HydrophobicContact CD1-CD1 3.95Å; I125-I142 HydrophobicContact CD1-CG1 4.3Å; I125-I142 HydrophobicContact CG2-CG1 4.36Å
143	S	51.1	Low	48.8	Very low	15 Å²	15	72.9 Å²	72.9	11%	0.105	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	143	173.8	17.7	0	0	0	0	110.3	A127 D145 S146 L147	A127-S143 VanDerWaalsContact CB-N 3.33Å; A127-S143 WeakPolarHBondContact CB-OG 3.28Å; S143-D145 PolarHBondContact O-N 3.4Å; S143-S146 PolarHBondContact O-N 2.83Å; S143-S146 PolarHBondContact OG-OG 2.82Å; S143-L147 PolarHBondContact O-N 3.39Å
144	A	51.2	Low	49.7	Very low	24 Å²	24	66.8 Å²	66.8	20%	0.198	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-56.3	-35.8	173.5	0	0	0	0	0	112.2	P102 F104 S146 L147 P148	P102-A144 HydrophobicContact CB-CB 4.37Å; P102-A144 HydrophobicContact CG-CB 3.91Å; F104-A144 HydrophobicContact CD2-CB 4.38Å; F104-A144 HydrophobicContact CE2-CB 4.02Å; A144-S146 PolarHBondContact O-N 2.53Å; A144-L147 WeakPolarHBondContact O-CB 3.42Å; A144-L147 PolarHBondContact O-N 2.8Å; A144-L147 VanDerWaalsContact O-N 3.08Å; A144-P148 WeakPolarHBondContact O-CD 3.07Å
145	D	53.4	Low	50.4	Low	138 Å²	138	65.1 Å²	65.1	74%	0.738	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-65.8	-25.5	179.1	-45.5	-53.8	0	0	0	113.3	S143 P148	S143-D145 PolarHBondContact O-N 3.4Å; D145-P148 WeakPolarHBondContact O-CD 2.86Å
146	S	50.6	Low	51.2	Low	1 Å²	1	60.4 Å²	60.4	1%	0.007	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-91.6	-3.5	177.4	-38.9	0	0	0	0	112.6	G124 S143 A144 L149 L150	G124-S146 PolarHBondContact O-OG 2.59Å; S143-S146 PolarHBondContact O-N 2.83Å; S143-S146 PolarHBondContact OG-OG 2.82Å; A144-S146 PolarHBondContact O-N 2.53Å; S146-L149 CarbonylContact O-C 3.26Å; S146-L149 VanDerWaalsContact O-C 3.26Å; S146-L149 VanDerWaalsContact O-CA 3.25Å; S146-L149 WeakPolarHBondContact O-CA 3.47Å; S146-L149 VanDerWaalsContact O-CB 3.28Å; S146-L149 WeakPolarHBondContact O-CB 3.4Å; S146-L149 PolarHBondContact O-N 3.48Å; S146-L149 VanDerWaalsContact O-N 3.15Å; S146-L150 PolarHBondContact O-N 2.88Å
147	L	52.5	Low	51.7	Low	25 Å²	25	48.9 Å²	48.9	13%	0.131	24%	0.24	C	C	.	.	S	Bend	trans	-73.7	-40.5	177.1	-171.2	94.7	0	0	0	112.9	F104 S143 A144 L149 L150 F151	F104-L147 HydrophobicContact CD1-CD1 3.65Å; F104-L147 HydrophobicContact CD2-CB 4.5Å; F104-L147 HydrophobicContact CD2-CD1 3.97Å; F104-L147 HydrophobicContact CD2-CD2 4.47Å; F104-L147 HydrophobicContact CE1-CD1 3.62Å; F104-L147 HydrophobicContact CE1-CD2 3.75Å; F104-L147 HydrophobicContact CE1-CG 4.3Å; F104-L147 HydrophobicContact CE2-CB 4.23Å; F104-L147 HydrophobicContact CE2-CD1 3.97Å; F104-L147 HydrophobicContact CE2-CD2 3.64Å; F104-L147 HydrophobicContact CE2-CG 4.16Å; F104-L147 HydrophobicContact CG-CD1 3.81Å; F104-L147 HydrophobicContact CZ-CD1 3.79Å; F104-L147 HydrophobicContact CZ-CD2 3.21Å; F104-L147 HydrophobicContact CZ-CG 4.02Å; S143-L147 PolarHBondContact O-N 3.39Å; A144-L147 WeakPolarHBondContact O-CB 3.42Å; A144-L147 PolarHBondContact O-N 2.8Å; A144-L147 VanDerWaalsContact O-N 3.08Å; L147-L149 PolarHBondContact O-N 2.84Å; L147-L150 CarbonylContact O-C 3.55Å; L147-L150 WeakPolarHBondContact O-CA 3.36Å; L147-L150 WeakPolarHBondContact O-CB 3.31Å; L147-L150 PolarHBondContact O-N 3.12Å; L147-F151 HydrophobicContact CD1-CE2 4.16Å; L147-F151 HydrophobicContact CD1-CZ 4.23Å; L147-F151 HydrophobicContact CD2-CD2 3.96Å; L147-F151 HydrophobicContact CD2-CE2 3.32Å; L147-F151 HydrophobicContact CD2-CZ 4.09Å; L147-F151 HydrophobicContact CG-CD2 3.92Å; L147-F151 HydrophobicContact CG-CE2 3.55Å; L147-F151 HydrophobicContact CG-CZ 4.13Å; L147-F151 PolarHBondContact O-N 3.43Å
148	P	52.4	Low	52	Low	79 Å²	79	44.9 Å²	44.9	51%	0.513	23%	0.225	S	C	.	.	H	α-helix	trans	-55.2	-36.2	162.4	-24.3	33.4	0	0	0	111.2	A144 D145 L150 F151 R152 K223	A144-P148 WeakPolarHBondContact O-CD 3.07Å; D145-P148 WeakPolarHBondContact O-CD 2.86Å; P148-L150 PolarHBondContact O-N 3.33Å; P148-F151 PolarHBondContact O-N 2.53Å; P148-R152 PolarHBondContact O-N 3.07Å; P148-K223 PolarHBondContact O-NZ 3.46Å
149	L	53.7	Low	52.6	Low	58 Å²	58	48.5 Å²	48.5	30%	0.304	24%	0.239	S	C	.	.	H	α-helix	trans	-67.5	-12.8	172.1	-63.5	-171.8	0	0	0	114.3	I121 S146 L147 K153 K223	I121-L149 HydrophobicContact CG2-CB 3.91Å; S146-L149 CarbonylContact O-C 3.26Å; S146-L149 VanDerWaalsContact O-C 3.26Å; S146-L149 VanDerWaalsContact O-CA 3.25Å; S146-L149 WeakPolarHBondContact O-CA 3.47Å; S146-L149 VanDerWaalsContact O-CB 3.28Å; S146-L149 WeakPolarHBondContact O-CB 3.4Å; S146-L149 PolarHBondContact O-N 3.48Å; S146-L149 VanDerWaalsContact O-N 3.15Å; L147-L149 PolarHBondContact O-N 2.84Å; L149-K153 WeakPolarHBondContact O-CB 3.12Å; L149-K153 WeakPolarHBondContact O-CD 3.22Å; L149-K223 HydrophobicContact CD2-CD 4Å; L149-K223 PolarHBondContact O-NZ 3.27Å
150	L	55.4	Low	53.2	Low	13 Å²	13	50.2 Å²	50.2	7%	0.068	25%	0.246	C	C	.	.	H	α-helix	trans	-97.2	-38.3	169.5	-162.9	82	0	0	0	113.6	L84 L117 I121 S146 L147 P148 K153 E154	L84-L150 HydrophobicContact CD2-CD1 3.37Å; L84-L150 HydrophobicContact CD2-CG 4.11Å; L117-L150 HydrophobicContact CD1-CD1 4.36Å; I121-L150 HydrophobicContact CD1-CD1 3.34Å; I121-L150 HydrophobicContact CG1-CD1 3.87Å; S146-L150 PolarHBondContact O-N 2.88Å; L147-L150 CarbonylContact O-C 3.55Å; L147-L150 WeakPolarHBondContact O-CA 3.36Å; L147-L150 WeakPolarHBondContact O-CB 3.31Å; L147-L150 PolarHBondContact O-N 3.12Å; P148-L150 PolarHBondContact O-N 3.33Å; L150-K153 CarbonylContact O-C 3.56Å; L150-K153 WeakPolarHBondContact O-CA 3.48Å; L150-K153 WeakPolarHBondContact O-CB 3.19Å; L150-K153 PolarHBondContact O-N 2.73Å; L150-E154 PolarHBondContact O-N 3.05Å; L150-E154 VanDerWaalsContact O-N 3.08Å
151	F	54.9	Low	53.2	Low	110 Å²	110	50.3 Å²	50.3	48%	0.482	25%	0.246	S	C	.	.	H	α-helix	trans	-77.7	-43.2	-174.9	-72	-44.4	0	0	0	113.9	L147 P148 K153 E154 Q155	L147-F151 HydrophobicContact CD1-CE2 4.16Å; L147-F151 HydrophobicContact CD1-CZ 4.23Å; L147-F151 HydrophobicContact CD2-CD2 3.96Å; L147-F151 HydrophobicContact CD2-CE2 3.32Å; L147-F151 HydrophobicContact CD2-CZ 4.09Å; L147-F151 HydrophobicContact CG-CD2 3.92Å; L147-F151 HydrophobicContact CG-CE2 3.55Å; L147-F151 HydrophobicContact CG-CZ 4.13Å; L147-F151 PolarHBondContact O-N 3.43Å; P148-F151 PolarHBondContact O-N 2.53Å; F151-K153 PolarHBondContact O-N 3.33Å; F151-E154 PolarHBondContact O-N 2.63Å; F151-Q155 PolarHBondContact O-N 2.96Å; F151-Q155 VanDerWaalsContact O-N 3.15Å
152	R	56.3	Low	53.3	Low	144 Å²	144	54.4 Å²	54.4	54%	0.543	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	29	159.8	-174.4	-160.8	170.8	-152.6	-5.6	110.1	P148 Y219 K223	P148-R152 PolarHBondContact O-N 3.07Å; R152-Y219 VanDerWaalsContact CA-CE1 3.44Å; R152-Y219 VanDerWaalsContact CA-CZ 3.41Å; R152-Y219 VanDerWaalsContact CA-OH 3.32Å; R152-Y219 WeakPolarHBondContact CA-OH 3.29Å; R152-Y219 HydrophobicContact CG-CE2 3.91Å; R152-Y219 WeakPolarHBondContact CG-OH 3.41Å; R152-Y219 WeakPolarHBondContact O-CD2 3.43Å; R152-Y219 VanDerWaalsContact O-CE1 3.24Å; R152-Y219 WeakPolarHBondContact O-CE1 3.28Å; R152-Y219 WeakPolarHBondContact O-CE2 3.46Å; R152-K223 VanDerWaalsContact CB-NZ 3.26Å; R152-K223 WeakPolarHBondContact O-CD 3.37Å; R152-K223 WeakPolarHBondContact O-CE 2.96Å; R152-K223 PolarHBondContact O-NZ 3.24Å
153	K	55.6	Low	53.1	Low	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.9	-3.7	171.3	-130.6	80.4	158.6	119.6	0	111	L84 C120 L149 L150 F151 T157 S216 Y219 Q220 K223	L84-K153 VanDerWaalsContact CD1-O 3.29Å; L84-K153 WeakPolarHBondContact CD1-O 3.37Å; C120-K153 WeakPolarHBondContact O-CE 3.29Å; C120-K153 PolarHBondContact O-NZ 2.89Å; C120-K153 VanDerWaalsContact O-NZ 3.17Å; L149-K153 WeakPolarHBondContact O-CB 3.12Å; L149-K153 WeakPolarHBondContact O-CD 3.22Å; L150-K153 CarbonylContact O-C 3.56Å; L150-K153 WeakPolarHBondContact O-CA 3.48Å; L150-K153 WeakPolarHBondContact O-CB 3.19Å; L150-K153 PolarHBondContact O-N 2.73Å; F151-K153 PolarHBondContact O-N 3.33Å; K153-T157 PolarHBondContact O-OG1 2.9Å; K153-S216 PolarHBondContact O-OG 3.19Å; K153-Y219 VanDerWaalsContact CA-CE1 3.45Å; K153-Y219 WeakPolarHBondContact CD-O 3.39Å; K153-Y219 WeakPolarHBondContact CE-O 3.11Å; K153-Y219 VanDerWaalsContact N-CD1 3.33Å; K153-Y219 PolarHBondContact NZ-O 3.03Å; K153-Y219 WeakPolarHBondContact O-CB 3.37Å; K153-Y219 WeakPolarHBondContact O-CD1 3.26Å; K153-Q220 HydrophobicContact CB-CG 4.23Å; K153-Q220 HydrophobicContact CD-CB 4.42Å; K153-Q220 HydrophobicContact CD-CG 4.02Å; K153-Q220 VanDerWaalsContact CE-CA 3.41Å; K153-Q220 HydrophobicContact CG-CB 3.87Å; K153-Q220 HydrophobicContact CG-CG 3.13Å; K153-Q220 PolarHBondContact NZ-O 3.28Å; K153-K223 HydrophobicContact CD-CB 3.62Å; K153-K223 HydrophobicContact CD-CD 3.36Å; K153-K223 HydrophobicContact CD-CG 4.2Å; K153-K223 VanDerWaalsContact NZ-C 3.33Å
154	E	55.9	Low	53.2	Low	39 Å²	39	56.6 Å²	56.6	18%	0.182	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-19.6	171.8	179.5	172.7	-174.9	0	0	114.2	L84 Y85 L150 F151 T157 W158 K212	L84-E154 HydrophobicContact CD1-CB 3.8Å; L84-E154 HydrophobicContact CD1-CG 4.49Å; Y85-E154 WeakPolarHBondContact OH-CG 3.27Å; Y85-E154 PolarHBondContact OH-OE1 3.19Å; Y85-E154 PolarHBondContact OH-OE2 2.97Å; L150-E154 PolarHBondContact O-N 3.05Å; L150-E154 VanDerWaalsContact O-N 3.08Å; F151-E154 PolarHBondContact O-N 2.63Å; E154-T157 VanDerWaalsContact C-CB 3.49Å; E154-T157 WeakPolarHBondContact O-CB 3.47Å; E154-T157 WeakPolarHBondContact O-CG2 3.42Å; E154-W158 PolarHBondContact O-NE1 3.33Å; E154-K212 VanDerWaalsContact OE1-CE 3.24Å; E154-K212 WeakPolarHBondContact OE1-CE 3.22Å; E154-K212 IonicContact OE1-NZ 3.08Å; E154-K212 PolarHBondContact OE1-NZ 3.19Å
155	Q	52.7	Low	53.1	Low	116 Å²	116	58.1 Å²	58.1	54%	0.542	29%	0.293	S	S	.	.	H	α-helix	trans	-79.7	-62	177.7	179.2	-172.2	9.2	0	0	118.7	F151 T157 W158 Q159 Y219	F151-Q155 PolarHBondContact O-N 2.96Å; F151-Q155 VanDerWaalsContact O-N 3.15Å; Q155-T157 CarbonylContact O-C 2.88Å; Q155-T157 PolarHBondContact O-N 2.75Å; Q155-W158 WeakPolarHBondContact O-CA 3.24Å; Q155-W158 WeakPolarHBondContact O-CB 2.98Å; Q155-W158 PolarHBondContact O-N 2.85Å; Q155-Q159 PolarHBondContact O-N 3.2Å; Q155-Y219 VanDerWaalsContact CA-CE1 3.47Å; Q155-Y219 HydrophobicContact CB-CE1 3.64Å; Q155-Y219 VanDerWaalsContact N-CD1 3.29Å
156	T	57.3	Low	52.9	Low	38 Å²	38	56.7 Å²	56.7	23%	0.233	29%	0.285	C	S	.	.	H	α-helix	trans	-59.1	-26.3	174.9	-59.7	0	0	0	0	112.1	Q159 K160 Y219 I222	T156-Q159 CarbonylContact O-C 3.21Å; T156-Q159 WeakPolarHBondContact O-CB 2.98Å; T156-Q159 PolarHBondContact O-N 3.21Å; T156-K160 PolarHBondContact O-N 3.4Å; T156-Y219 VanDerWaalsContact CB-CD2 3.45Å; T156-Y219 VanDerWaalsContact CB-CZ 3.43Å; T156-Y219 HydrophobicContact CG2-CD2 4.34Å; T156-Y219 HydrophobicContact CG2-CE2 4.36Å; T156-Y219 PolarHBondContact N-OH 3.07Å; T156-Y219 WeakPolarHBondContact OG1-CE2 3.48Å; T156-Y219 PolarHBondContact OG1-OH 3.42Å; T156-Y219 VanDerWaalsContact OG1-OH 3.12Å; T156-I222 HydrophobicContact CG2-CD1 3.95Å; T156-I222 HydrophobicContact CG2-CG2 4.36Å
157	T	53.5	Low	52.9	Low	0 Å²	0	59 Å²	59	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-40	-73.8	154	-57	0	0	0	0	112.3	L81 K153 E154 Q155 Q159 K160 M161 A215 S216 Y219	L81-T157 HydrophobicContact CD1-CG2 4.01Å; L81-T157 HydrophobicContact CD2-CG2 3.16Å; L81-T157 HydrophobicContact CG-CG2 3.75Å; K153-T157 PolarHBondContact O-OG1 2.9Å; E154-T157 VanDerWaalsContact C-CB 3.49Å; E154-T157 WeakPolarHBondContact O-CB 3.47Å; E154-T157 WeakPolarHBondContact O-CG2 3.42Å; Q155-T157 CarbonylContact O-C 2.88Å; Q155-T157 PolarHBondContact O-N 2.75Å; T157-Q159 PolarHBondContact O-N 2.75Å; T157-Q159 VanDerWaalsContact O-N 3.13Å; T157-K160 PolarHBondContact O-N 2.7Å; T157-M161 HydrophobicContact CG2-CE 3.53Å; T157-M161 WeakPolarHBondContact O-CG 2.77Å; T157-M161 PolarHBondContact O-N 2.96Å; T157-M161 VanDerWaalsContact O-N 3.13Å; T157-A215 WeakPolarHBondContact CA-O 3.43Å; T157-A215 WeakPolarHBondContact CB-O 3.44Å; T157-A215 HydrophobicContact CG2-CB 3.64Å; T157-A215 WeakPolarHBondContact O-CB 3.1Å; T157-A215 PolarHBondContact OG1-O 3.01Å; T157-S216 WeakPolarHBondContact CG2-OG 3.5Å; T157-S216 WeakPolarHBondContact OG1-CA 3.33Å; T157-S216 PolarHBondContact OG1-OG 3Å; T157-Y219 WeakPolarHBondContact OG1-CB 3.24Å; T157-Y219 VanDerWaalsContact OG1-CD1 3.28Å; T157-Y219 WeakPolarHBondContact OG1-CD1 3.49Å
158	W	49.8	Very low	52.8	Low	82 Å²	82	60.8 Å²	60.8	31%	0.311	31%	0.309	S	S	.	.	H	α-helix	trans	-50.8	-38.1	175.4	-69.7	115.1	0	0	0	112.2	E154 Q155 M161 L162 L208 K212	E154-W158 PolarHBondContact O-NE1 3.33Å; Q155-W158 WeakPolarHBondContact O-CA 3.24Å; Q155-W158 WeakPolarHBondContact O-CB 2.98Å; Q155-W158 PolarHBondContact O-N 2.85Å; W158-M161 HydrophobicContact CB-CE 4.38Å; W158-M161 HydrophobicContact CD2-CE 3.33Å; W158-M161 HydrophobicContact CD2-SD 3.82Å; W158-M161 HydrophobicContact CE3-CE 3.28Å; W158-M161 HydrophobicContact CE3-SD 3.1Å; W158-M161 HydrophobicContact CG-CE 3.89Å; W158-M161 HydrophobicContact CH2-CE 3.93Å; W158-M161 HydrophobicContact CH2-SD 4.15Å; W158-M161 HydrophobicContact CZ2-CE 4.05Å; W158-M161 HydrophobicContact CZ3-CE 3.57Å; W158-M161 HydrophobicContact CZ3-SD 3.28Å; W158-M161 WeakPolarHBondContact CZ3-SD 3.07Å; W158-M161 PolarHBondContact O-N 3.07Å; W158-L162 WeakPolarHBondContact O-CB 3.15Å; W158-L162 WeakPolarHBondContact O-CD1 3.41Å; W158-L162 WeakPolarHBondContact O-CG 2.93Å; W158-L162 PolarHBondContact O-N 3.29Å; W158-L208 HydrophobicContact CH2-CD2 4.3Å; W158-L208 HydrophobicContact CZ3-CD2 3.95Å; W158-K212 HydrophobicContact CH2-CB 4.32Å; W158-K212 HydrophobicContact CH2-CD 4.3Å; W158-K212 HydrophobicContact CH2-CG 4.2Å; W158-K212 HydrophobicContact CZ2-CB 4.44Å; W158-K212 HydrophobicContact CZ2-CD 3.69Å; W158-K212 HydrophobicContact CZ2-CG 3.82Å
159	Q	54.5	Low	52.6	Low	105 Å²	105	60.7 Å²	60.7	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-62	-42.7	175.4	-59.8	-60.3	-40.4	0	0	113.6	Q155 T156 T157 L162 A163	Q155-Q159 PolarHBondContact O-N 3.2Å; T156-Q159 CarbonylContact O-C 3.21Å; T156-Q159 WeakPolarHBondContact O-CB 2.98Å; T156-Q159 PolarHBondContact O-N 3.21Å; T157-Q159 PolarHBondContact O-N 2.75Å; T157-Q159 VanDerWaalsContact O-N 3.13Å; Q159-L162 PolarHBondContact O-N 2.96Å; Q159-A163 WeakPolarHBondContact O-CB 3.4Å; Q159-A163 PolarHBondContact O-N 3.35Å
160	K	54.4	Low	52.4	Low	53 Å²	53	60.3 Å²	60.3	23%	0.23	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-38.8	176.9	-82.1	-178.6	172.3	-177.2	0	111.5	L73 L77 T156 T157 A163 M164 A215 N218 I222	L73-K160 HydrophobicContact CD2-CB 3.96Å; L73-K160 HydrophobicContact CD2-CG 4.48Å; L73-K160 WeakPolarHBondContact CD2-O 3.39Å; L77-K160 HydrophobicContact CD1-CB 3.9Å; T156-K160 PolarHBondContact O-N 3.4Å; T157-K160 PolarHBondContact O-N 2.7Å; K160-A163 PolarHBondContact O-N 2.93Å; K160-M164 WeakPolarHBondContact O-CB 3.18Å; K160-M164 PolarHBondContact O-N 3.43Å; K160-A215 HydrophobicContact CB-CB 4.3Å; K160-N218 HydrophobicContact CD-CB 3.72Å; K160-N218 WeakPolarHBondContact CD-OD1 2.81Å; K160-N218 WeakPolarHBondContact CE-OD1 3.44Å; K160-N218 PolarHBondContact NZ-OD1 3.18Å; K160-I222 VanDerWaalsContact CE-CD1 3.46Å
161	M	52.3	Low	52.1	Low	10 Å²	10	60.7 Å²	60.7	5%	0.049	31%	0.313	C	S	.	.	H	α-helix	trans	-62.1	-44.3	172.8	-44.4	173	-159	0	0	112.2	L77 L81 T157 W158 M164 S165 V211 A215	L77-M161 HydrophobicContact CD1-CG 4.3Å; L77-M161 HydrophobicContact CD2-CG 4.28Å; L81-M161 HydrophobicContact CD1-CE 3.59Å; L81-M161 HydrophobicContact CD2-CE 4.16Å; T157-M161 HydrophobicContact CG2-CE 3.53Å; T157-M161 WeakPolarHBondContact O-CG 2.77Å; T157-M161 PolarHBondContact O-N 2.96Å; T157-M161 VanDerWaalsContact O-N 3.13Å; W158-M161 HydrophobicContact CB-CE 4.38Å; W158-M161 HydrophobicContact CD2-CE 3.33Å; W158-M161 HydrophobicContact CD2-SD 3.82Å; W158-M161 HydrophobicContact CE3-CE 3.28Å; W158-M161 HydrophobicContact CE3-SD 3.1Å; W158-M161 HydrophobicContact CG-CE 3.89Å; W158-M161 HydrophobicContact CH2-CE 3.93Å; W158-M161 HydrophobicContact CH2-SD 4.15Å; W158-M161 HydrophobicContact CZ2-CE 4.05Å; W158-M161 HydrophobicContact CZ3-CE 3.57Å; W158-M161 HydrophobicContact CZ3-SD 3.28Å; W158-M161 WeakPolarHBondContact CZ3-SD 3.07Å; W158-M161 PolarHBondContact O-N 3.07Å; M161-M164 WeakPolarHBondContact O-CB 2.95Å; M161-M164 PolarHBondContact O-N 2.92Å; M161-S165 PolarHBondContact O-N 3.26Å; M161-V211 HydrophobicContact CB-CG1 3.75Å; M161-V211 WeakPolarHBondContact CE-O 3.47Å; M161-V211 HydrophobicContact CG-CG1 3.59Å; M161-V211 HydrophobicContact SD-CB 4.45Å; M161-V211 HydrophobicContact SD-CG1 3.22Å; M161-V211 WeakPolarHBondContact SD-CG1 2.79Å; M161-A215 HydrophobicContact CE-CB 4.14Å; M161-A215 HydrophobicContact CG-CB 3.73Å
162	L	48.5	Very low	51.8	Low	88 Å²	88	59.7 Å²	59.7	46%	0.461	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-42.6	179.7	-72.6	166	0	0	0	110.8	W158 Q159 M164 S165 N166	W158-L162 WeakPolarHBondContact O-CB 3.15Å; W158-L162 WeakPolarHBondContact O-CD1 3.41Å; W158-L162 WeakPolarHBondContact O-CG 2.93Å; W158-L162 PolarHBondContact O-N 3.29Å; Q159-L162 PolarHBondContact O-N 2.96Å; L162-M164 VanDerWaalsContact C-N 3.33Å; L162-M164 PolarHBondContact O-N 2.8Å; L162-S165 PolarHBondContact O-N 2.8Å; L162-N166 WeakPolarHBondContact O-CB 3.25Å; L162-N166 VanDerWaalsContact O-CG 3.24Å; L162-N166 PolarHBondContact O-N 2.73Å; L162-N166 PolarHBondContact O-ND2 3.2Å
163	A	50.2	Low	51.3	Low	45 Å²	45	56.1 Å²	56.1	37%	0.372	30%	0.304	S	S	.	.	H	α-helix	trans	-58.3	-45.3	172.5	0	0	0	0	0	111.4	L73 Q159 K160 N166 L167	L73-A163 HydrophobicContact CD1-CB 4.44Å; Q159-A163 WeakPolarHBondContact O-CB 3.4Å; Q159-A163 PolarHBondContact O-N 3.35Å; K160-A163 PolarHBondContact O-N 2.93Å; A163-N166 PolarHBondContact O-N 2.9Å; A163-L167 WeakPolarHBondContact O-CB 3.48Å; A163-L167 PolarHBondContact O-N 2.85Å
164	M	52.5	Low	51	Low	20 Å²	20	61.5 Å²	61.5	10%	0.099	33%	0.325	C	S	.	.	H	α-helix	trans	-60	-46.8	175.3	-133.6	173.3	80	0	0	112.3	L70 L73 S74 L77 K160 M161 L162 N166 L167 V168	L70-M164 HydrophobicContact CD2-CG 3.95Å; L73-M164 HydrophobicContact CB-CG 4.17Å; L73-M164 HydrophobicContact CB-SD 4.24Å; L73-M164 HydrophobicContact CD2-CB 4.11Å; L73-M164 HydrophobicContact CD2-CG 3.91Å; L73-M164 HydrophobicContact CD2-SD 3.81Å; L73-M164 HydrophobicContact CG-CG 4.41Å; S74-M164 WeakPolarHBondContact CA-SD 3.2Å; S74-M164 VanDerWaalsContact CB-SD 3.57Å; S74-M164 PolarHBondContact N-SD 3.17Å; S74-M164 VanDerWaalsContact N-SD 3.4Å; L77-M164 HydrophobicContact CB-SD 4.37Å; L77-M164 HydrophobicContact CD1-SD 4.14Å; L77-M164 HydrophobicContact CD2-CE 3.82Å; L77-M164 HydrophobicContact CD2-SD 3.85Å; L77-M164 HydrophobicContact CG-SD 4.32Å; K160-M164 WeakPolarHBondContact O-CB 3.18Å; K160-M164 PolarHBondContact O-N 3.43Å; M161-M164 WeakPolarHBondContact O-CB 2.95Å; M161-M164 PolarHBondContact O-N 2.92Å; L162-M164 VanDerWaalsContact C-N 3.33Å; L162-M164 PolarHBondContact O-N 2.8Å; M164-N166 VanDerWaalsContact C-N 3.34Å; M164-N166 PolarHBondContact O-N 2.77Å; M164-L167 PolarHBondContact O-N 2.87Å; M164-V168 WeakPolarHBondContact O-CG2 3.16Å; M164-V168 PolarHBondContact O-N 2.74Å
165	S	47.8	Very low	50.2	Low	57 Å²	57	62.9 Å²	62.9	40%	0.399	33%	0.334	S	S	.	.	H	α-helix	trans	-60.1	-42.9	177.1	-170	0	0	0	0	112	M161 L162 L167 V168 V169	M161-S165 PolarHBondContact O-N 3.26Å; L162-S165 PolarHBondContact O-N 2.8Å; S165-L167 VanDerWaalsContact C-N 3.32Å; S165-L167 PolarHBondContact O-N 2.81Å; S165-V168 PolarHBondContact O-N 3.24Å; S165-V169 WeakPolarHBondContact O-CG2 3.44Å; S165-V169 PolarHBondContact O-N 2.69Å
166	N	49.8	Very low	49.6	Very low	107 Å²	107	66.5 Å²	66.5	57%	0.572	34%	0.343	S	S	*	.	H	α-helix	trans	-65.6	-36.5	177.4	-70	-17.9	0	0	0	111.8	L162 A163 M164 V169 A170	L162-N166 WeakPolarHBondContact O-CB 3.25Å; L162-N166 VanDerWaalsContact O-CG 3.24Å; L162-N166 PolarHBondContact O-N 2.73Å; L162-N166 PolarHBondContact O-ND2 3.2Å; A163-N166 PolarHBondContact O-N 2.9Å; M164-N166 VanDerWaalsContact C-N 3.34Å; M164-N166 PolarHBondContact O-N 2.77Å; N166-V169 PolarHBondContact O-N 3.47Å; N166-A170 WeakPolarHBondContact O-CB 3.33Å; N166-A170 PolarHBondContact O-N 2.85Å
167	L	50.2	Low	48.9	Very low	50 Å²	50	75 Å²	75	26%	0.262	37%	0.37	S	S	.	.	H	α-helix	trans	-74.6	-32.5	-179.2	-159.3	139.7	0	0	0	111.9	I66 N69 L70 A163 M164 S165 Q171	I66-L167 HydrophobicContact CB-CD2 4.4Å; I66-L167 HydrophobicContact CG2-CD2 3.51Å; I66-L167 HydrophobicContact CG2-CG 4.21Å; I66-L167 WeakPolarHBondContact O-CD2 2.96Å; N69-L167 HydrophobicContact CB-CD2 4.4Å; L70-L167 HydrophobicContact CD1-CD2 4.25Å; L70-L167 HydrophobicContact CD2-CB 4.05Å; L70-L167 HydrophobicContact CD2-CD2 3.44Å; L70-L167 VanDerWaalsContact CD2-CD2 3.44Å; L70-L167 HydrophobicContact CD2-CG 4.39Å; L70-L167 HydrophobicContact CG-CD2 3.41Å; L70-L167 VanDerWaalsContact CG-CD2 3.41Å; A163-L167 WeakPolarHBondContact O-CB 3.48Å; A163-L167 PolarHBondContact O-N 2.85Å; M164-L167 PolarHBondContact O-N 2.87Å; S165-L167 VanDerWaalsContact C-N 3.32Å; S165-L167 PolarHBondContact O-N 2.81Å; L167-Q171 PolarHBondContact O-N 3.43Å; L167-Q171 VanDerWaalsContact O-N 3.14Å
168	V	51.5	Low	48.2	Very low	63 Å²	63	78.4 Å²	78.4	38%	0.382	39%	0.394	S	S	.	.	H	α-helix	trans	-63.1	-46.5	166.1	175.3	0	0	0	0	111.2	L70 M164 S165 A170 Q171 I172	L70-V168 HydrophobicContact CD1-CG2 3.81Å; L70-V168 HydrophobicContact CD2-CG2 3.53Å; L70-V168 HydrophobicContact CG-CG2 4.33Å; M164-V168 WeakPolarHBondContact O-CG2 3.16Å; M164-V168 PolarHBondContact O-N 2.74Å; S165-V168 PolarHBondContact O-N 3.24Å; V168-A170 PolarHBondContact O-N 3.31Å; V168-Q171 WeakPolarHBondContact O-CB 2.85Å; V168-Q171 PolarHBondContact O-N 3.03Å; V168-I172 HydrophobicContact CG1-CD1 4.03Å; V168-I172 WeakPolarHBondContact O-CG1 3.4Å; V168-I172 PolarHBondContact O-N 2.98Å; V168-I172 VanDerWaalsContact O-N 3.09Å
169	V	49	Very low	47.4	Very low	76 Å²	76	76.5 Å²	76.5	46%	0.461	39%	0.393	S	S	.	.	H	α-helix	trans	-61.5	-44	178.5	170.1	0	0	0	0	111.2	S165 N166 Q171 I172 D173	S165-V169 WeakPolarHBondContact O-CG2 3.44Å; S165-V169 PolarHBondContact O-N 2.69Å; N166-V169 PolarHBondContact O-N 3.47Å; V169-Q171 VanDerWaalsContact C-N 3.28Å; V169-Q171 PolarHBondContact O-N 2.67Å; V169-I172 PolarHBondContact O-N 3.16Å; V169-I172 VanDerWaalsContact O-N 3.16Å; V169-D173 PolarHBondContact O-N 3.09Å
170	A	49.3	Very low	46.6	Very low	50 Å²	50	77.5 Å²	77.5	41%	0.413	41%	0.409	S	S	.	.	H	α-helix	trans	-59.3	-37.6	175.9	0	0	0	0	0	112.6	N166 V168 D173 Y174	N166-A170 WeakPolarHBondContact O-CB 3.33Å; N166-A170 PolarHBondContact O-N 2.85Å; V168-A170 PolarHBondContact O-N 3.31Å; A170-D173 PolarHBondContact O-N 3.34Å; A170-Y174 WeakPolarHBondContact O-CB 3.07Å; A170-Y174 PolarHBondContact O-N 3.48Å
171	Q	49.2	Very low	45.5	Very low	21 Å²	21	83 Å²	83	10%	0.098	44%	0.435	C	S	.	.	H	α-helix	trans	-67.5	-39.2	175.8	-171.5	59.6	4.3	0	0	112.5	G63 I66 L167 V168 V169 Y174 N175	G63-Q171 VanDerWaalsContact CA-NE2 3.33Å; I66-Q171 HydrophobicContact CG2-CB 3.87Å; I66-Q171 HydrophobicContact CG2-CG 4.17Å; L167-Q171 PolarHBondContact O-N 3.43Å; L167-Q171 VanDerWaalsContact O-N 3.14Å; V168-Q171 WeakPolarHBondContact O-CB 2.85Å; V168-Q171 PolarHBondContact O-N 3.03Å; V169-Q171 VanDerWaalsContact C-N 3.28Å; V169-Q171 PolarHBondContact O-N 2.67Å; Q171-Y174 PolarHBondContact O-N 3.35Å; Q171-N175 WeakPolarHBondContact O-CB 3.45Å; Q171-N175 VanDerWaalsContact O-CG 3.27Å; Q171-N175 PolarHBondContact O-N 3.16Å; Q171-N175 PolarHBondContact O-ND2 2.76Å
172	I	47.8	Very low	44.3	Very low	89 Å²	89	85.3 Å²	85.3	46%	0.456	46%	0.456	S	S	.	.	H	α-helix	trans	-63.6	-43.2	175.1	-66.2	165.9	0	0	0	110.5	V168 V169 R176	V168-I172 HydrophobicContact CG1-CD1 4.03Å; V168-I172 WeakPolarHBondContact O-CG1 3.4Å; V168-I172 PolarHBondContact O-N 2.98Å; V168-I172 VanDerWaalsContact O-N 3.09Å; V169-I172 PolarHBondContact O-N 3.16Å; V169-I172 VanDerWaalsContact O-N 3.16Å; I172-R176 WeakPolarHBondContact O-CG 3.2Å; I172-R176 PolarHBondContact O-N 3.45Å; I172-R176 VanDerWaalsContact O-N 3.14Å
173	D	46.1	Very low	43.2	Very low	69 Å²	69	85.3 Å²	85.3	37%	0.369	46%	0.464	S	S	.	.	H	α-helix	trans	-70.8	-34.6	178	-81.8	-18.7	0	0	0	113.1	V169 A170 R176 R177	V169-D173 PolarHBondContact O-N 3.09Å; A170-D173 PolarHBondContact O-N 3.34Å; D173-R176 PolarHBondContact O-N 2.87Å; D173-R177 WeakPolarHBondContact O-CG 2.92Å; D173-R177 PolarHBondContact O-N 3.21Å
174	Y	48.2	Very low	42	Very low	113 Å²	113	90.6 Å²	90.6	44%	0.443	48%	0.482	S	S	.	.	H	α-helix	trans	-61.3	-50.2	172.6	-180	-98.6	0	0	0	110.9	A170 Q171 R176 R177 S178	A170-Y174 WeakPolarHBondContact O-CB 3.07Å; A170-Y174 PolarHBondContact O-N 3.48Å; Q171-Y174 PolarHBondContact O-N 3.35Å; Y174-R176 VanDerWaalsContact C-N 3.25Å; Y174-R176 PolarHBondContact O-N 3.3Å; Y174-R177 PolarHBondContact O-N 3.14Å; Y174-S178 PolarHBondContact O-N 3.11Å; Y174-S178 PolarHBondContact O-OG 2.82Å
175	N	40.6	Very low	40.7	Very low	69 Å²	69	96.2 Å²	96.2	37%	0.369	51%	0.512	S	S	.	.	H	α-helix	trans	-61.2	-31.9	178.6	-71.4	-12.2	0	0	0	112.8	Q171 R177	Q171-N175 WeakPolarHBondContact O-CB 3.45Å; Q171-N175 VanDerWaalsContact O-CG 3.27Å; Q171-N175 PolarHBondContact O-N 3.16Å; Q171-N175 PolarHBondContact O-ND2 2.76Å; N175-R177 VanDerWaalsContact C-N 3.33Å
176	R	39.5	Very low	39.5	Very low	192 Å²	192	98.1 Å²	98.1	73%	0.725	53%	0.525	S	S	*	.	H	α-helix	trans	-68.3	-27.8	173	-79.5	179	168.1	-162.9	-3.5	113.9	I172 D173 Y174	I172-R176 WeakPolarHBondContact O-CG 3.2Å; I172-R176 PolarHBondContact O-N 3.45Å; I172-R176 VanDerWaalsContact O-N 3.14Å; D173-R176 PolarHBondContact O-N 2.87Å; Y174-R176 VanDerWaalsContact C-N 3.25Å; Y174-R176 PolarHBondContact O-N 3.3Å
177	R	42.7	Very low	38.4	Very low	215 Å²	215	100.1 Å²	100.1	81%	0.811	53%	0.534	S	S	*	.	H	α-helix	trans	-92.3	-30.8	-176.2	-69.1	178	-172.7	-166	4	113.1	D173 Y174 N175	D173-R177 WeakPolarHBondContact O-CG 2.92Å; D173-R177 PolarHBondContact O-N 3.21Å; Y174-R177 PolarHBondContact O-N 3.14Å; N175-R177 VanDerWaalsContact C-N 3.33Å
178	S	38.6	Very low	37.1	Very low	72 Å²	72	100.7 Å²	100.7	50%	0.503	55%	0.552	S	S	.	*	H	α-helix	trans	-83	-19.4	-174.2	55	0	0	0	0	114.6	Y174	Y174-S178 PolarHBondContact O-N 3.11Å; Y174-S178 PolarHBondContact O-OG 2.82Å
179	S	33.8	Very low	35.9	Very low	42 Å²	42	106.1 Å²	106.1	29%	0.294	57%	0.573	S	S	.	*			trans	-155.8	120.2	171.8	171.7	0	0	0	0	112.9	Q181 A182	S179-Q181 PolarHBondContact O-N 2.83Å; S179-Q181 PolarHBondContact OG-N 2.8Å; S179-A182 PolarHBondContact O-N 3.43Å; S179-A182 PolarHBondContact OG-N 3.13Å; S179-A182 VanDerWaalsContact OG-N 3.07Å
180	P	37	Very low	35	Very low	127 Å²	127	107.1 Å²	107.1	83%	0.825	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-20.8	172.6	-23.8	34.5	0	0	0	114.3
181	Q	31.1	Very low	33.8	Very low	167 Å²	167	110.5 Å²	110.5	78%	0.78	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-10.6	178.9	-73.9	-175.7	-20.5	0	0	113.8	S179 S183	S179-Q181 PolarHBondContact O-N 2.83Å; S179-Q181 PolarHBondContact OG-N 2.8Å; Q181-S183 PolarHBondContact O-N 3.41Å
182	A	27.9	Very low	32.8	Very low	59 Å²	59	112.7 Å²	112.7	49%	0.488	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.6	18.2	172.9	0	0	0	0	0	113.7	S179 M184	S179-A182 PolarHBondContact O-N 3.43Å; S179-A182 PolarHBondContact OG-N 3.13Å; S179-A182 VanDerWaalsContact OG-N 3.07Å; A182-M184 PolarHBondContact O-N 3.34Å
183	S	24.5	Very low	32.1	Very low	88 Å²	88	117.2 Å²	117.2	62%	0.615	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-1.4	165.2	61	0	0	0	0	113.1	Q181 L185	Q181-S183 PolarHBondContact O-N 3.41Å; S183-L185 PolarHBondContact O-N 2.93Å
184	M	24.5	Very low	31.7	Very low	156 Å²	156	117.8 Å²	117.8	77%	0.768	66%	0.656	S	S	*	*			trans	-70.1	41.6	174.1	-79.2	-163.3	158.1	0	0	115.4	A182 C186	A182-M184 PolarHBondContact O-N 3.34Å; M184-C186 PolarHBondContact O-N 3.2Å
185	L	25.2	Very low	31.2	Very low	138 Å²	138	114.7 Å²	114.7	72%	0.723	65%	0.649	S	S	*	*			trans	-76.8	63.7	150.2	-91.8	168.5	0	0	0	109.3	S183 I187	S183-L185 PolarHBondContact O-N 2.93Å; L185-I187 PolarHBondContact O-N 3.39Å
186	C	22.6	Very low	30.8	Very low	98 Å²	98	112.4 Å²	112.4	66%	0.662	64%	0.642	S	S	*	*			trans	-78.4	87.4	175.1	-68.6	0	0	0	0	109.7	M184	M184-C186 PolarHBondContact O-N 3.2Å
187	I	26.5	Very low	30.7	Very low	148 Å²	148	106.4 Å²	106.4	76%	0.759	63%	0.626	S	S	*	*			trans	-90.2	115.6	161.1	-58.4	-175.6	0	0	0	107.9	L185	L185-I187 PolarHBondContact O-N 3.39Å
188	G	24	Very low	30.4	Very low	62 Å²	62	102.6 Å²	102.6	64%	0.639	62%	0.616	S	S	*	*			trans	-85	168.5	-163	0	0	0	0	0	116.2
189	Q	25.6	Very low	30.5	Very low	177 Å²	177	104.1 Å²	104.1	83%	0.827	62%	0.615	S	S	*	*			trans	75.3	146.5	158.8	-69.1	-170.4	-48	0	0	120.7
190	P	29.8	Very low	30.7	Very low	97 Å²	97	102.7 Å²	102.7	63%	0.63	60%	0.603	S	S	*	*			trans	-109.6	119.5	171.1	36.5	-25	0	0	0	112.7
191	S	25.4	Very low	30.7	Very low	121 Å²	121	103.6 Å²	103.6	85%	0.846	59%	0.59	S	S	*	*			trans	-158.4	147.7	151.2	47.1	0	0	0	0	108.7
192	G	27	Very low	31.3	Very low	67 Å²	67	97.9 Å²	97.9	69%	0.691	57%	0.565	S	S	*	*			trans	-65.8	149.7	-168.4	0	0	0	0	0	113.6
193	H	32.8	Very low	32	Very low	185 Å²	185	95.1 Å²	95.1	86%	0.856	54%	0.542	S	S	*	.				-150.4	152.6	60.5	-100.4	-90.8	0	0	0	114.2	V195	H193-V195 PolarHBondContact O-N 3.31Å
194	P	38	Very low	32.6	Very low	80 Å²	80	93.6 Å²	93.6	52%	0.519	53%	0.526	S	S	.	.			trans	-79.6	113.9	175.3	29	-31.2	0	0	0	113.5	S29 S32	S29-P194 VanDerWaalsContact OG-CB 3.24Å; S29-P194 WeakPolarHBondContact OG-CB 3.22Å; S32-P194 VanDerWaalsContact OG-CA 3.26Å; S32-P194 WeakPolarHBondContact OG-CA 3.47Å; S32-P194 WeakPolarHBondContact OG-CB 3.11Å
195	V	38.1	Very low	33.4	Very low	49 Å²	49	89.7 Å²	89.7	30%	0.297	51%	0.508	S	S	.	.			trans	-47.3	154.5	159.9	164.5	0	0	0	0	111.3	D31 S32 T35 H193 E199	D31-V195 CarbonylContact C-O 3.36Å; D31-V195 VanDerWaalsContact CA-O 3.26Å; D31-V195 WeakPolarHBondContact CA-O 3.31Å; D31-V195 WeakPolarHBondContact CB-O 3.19Å; D31-V195 CarbonylContact O-C 3.11Å; S32-V195 PolarHBondContact N-O 3.38Å; S32-V195 PolarHBondContact OG-N 3.03Å; S32-V195 VanDerWaalsContact OG-N 3.13Å; S32-V195 PolarHBondContact OG-O 3.14Å; T35-V195 HydrophobicContact CG2-CG1 3.93Å; H193-V195 PolarHBondContact O-N 3.31Å; V195-E199 WeakPolarHBondContact CA-OE2 2.95Å; V195-E199 HydrophobicContact CG1-CB 4.06Å; V195-E199 HydrophobicContact CG1-CG 3.78Å; V195-E199 VanDerWaalsContact CG1-OE2 3.28Å; V195-E199 WeakPolarHBondContact CG1-OE2 3.38Å
196	G	32.6	Very low	34.3	Very low	21 Å²	21	88.3 Å²	88.3	22%	0.216	49%	0.493	C	S	.	.			trans	-88.3	150.2	-162.9	0	0	0	0	0	121.1	D31 K198 E199 K200	D31-G196 VanDerWaalsContact CB-CA 3.41Å; D31-G196 VanDerWaalsContact CG-C 3.49Å; D31-G196 CarbonylContact O-C 3.52Å; D31-G196 PolarHBondContact O-N 2.88Å; D31-G196 WeakPolarHBondContact OD2-CA 3.39Å; G196-K198 PolarHBondContact O-N 2.97Å; G196-E199 PolarHBondContact N-OE2 3.49Å; G196-E199 CarbonylContact O-C 3.43Å; G196-E199 WeakPolarHBondContact O-CA 3.29Å; G196-E199 VanDerWaalsContact O-CB 3.22Å; G196-E199 WeakPolarHBondContact O-CB 3.18Å; G196-E199 PolarHBondContact O-N 3.5Å; G196-K200 PolarHBondContact O-N 2.98Å
197	V	36.6	Very low	35.1	Very low	66 Å²	66	85.8 Å²	85.8	40%	0.4	47%	0.47	S	S	.	.	H	α-helix	trans	-51.5	-37	-168.3	81.9	0	0	0	0	113.9	R30 D31 K200 R201	R30-V197 HydrophobicContact CB-CG2 4.26Å; R30-V197 HydrophobicContact CG-CG2 4.12Å; D31-V197 HydrophobicContact CB-CB 4.49Å; D31-V197 VanDerWaalsContact OD1-CA 3.27Å; D31-V197 WeakPolarHBondContact OD1-CA 3.49Å; D31-V197 WeakPolarHBondContact OD1-CB 3.33Å; D31-V197 WeakPolarHBondContact OD1-CG2 3.19Å; D31-V197 PolarHBondContact OD1-N 3.07Å; D31-V197 PolarHBondContact OD2-N 3.25Å; V197-K200 WeakPolarHBondContact O-CB 3.13Å; V197-R201 PolarHBondContact O-N 3.15Å
198	K	36.1	Very low	35.5	Very low	135 Å²	135	81.5 Å²	81.5	59%	0.587	45%	0.448	S	S	*	.	H	α-helix	trans	-91.9	-39.9	-173	-179.1	179.5	174.1	-168.9	0	109.4	G196 K200 R201 D202	G196-K198 PolarHBondContact O-N 2.97Å; K198-K200 VanDerWaalsContact C-N 3.34Å; K198-K200 CarbonylContact O-C 3.6Å; K198-R201 CarbonylContact O-C 3.52Å; K198-R201 PolarHBondContact O-N 3.39Å; K198-R201 VanDerWaalsContact O-N 3.07Å; K198-D202 WeakPolarHBondContact CG-OD2 3.38Å; K198-D202 WeakPolarHBondContact O-CA 3.08Å; K198-D202 WeakPolarHBondContact O-CB 3.38Å; K198-D202 PolarHBondContact O-N 3.19Å
199	E	42.3	Very low	36.4	Very low	104 Å²	104	82.4 Å²	82.4	49%	0.486	43%	0.432	S	S	.	.	H	α-helix	trans	-62.2	-40.3	173	-164.3	172.8	-144.8	0	0	112.2	T35 V195 G196 S203	T35-E199 HydrophobicContact CG2-CG 4.22Å; V195-E199 WeakPolarHBondContact CA-OE2 2.95Å; V195-E199 HydrophobicContact CG1-CB 4.06Å; V195-E199 HydrophobicContact CG1-CG 3.78Å; V195-E199 VanDerWaalsContact CG1-OE2 3.28Å; V195-E199 WeakPolarHBondContact CG1-OE2 3.38Å; G196-E199 PolarHBondContact N-OE2 3.49Å; G196-E199 CarbonylContact O-C 3.43Å; G196-E199 WeakPolarHBondContact O-CA 3.29Å; G196-E199 VanDerWaalsContact O-CB 3.22Å; G196-E199 WeakPolarHBondContact O-CB 3.18Å; G196-E199 PolarHBondContact O-N 3.5Å; E199-S203 PolarHBondContact O-N 3.23Å; E199-S203 PolarHBondContact O-OG 3.47Å
200	K	37.9	Very low	36.9	Very low	11 Å²	11	74.8 Å²	74.8	5%	0.048	40%	0.399	C	S	.	.	H	α-helix	trans	-44.1	-87.2	151.4	-111.6	-177.7	-177.8	163.6	0	109.1	S29 R30 D31 S32 L33 V34 G196 V197 K198 D202 S203	S29-K200 PolarHBondContact O-NZ 2.91Å; R30-K200 VanDerWaalsContact C-CD 3.5Å; R30-K200 WeakPolarHBondContact O-CD 2.96Å; R30-K200 PolarHBondContact O-NZ 2.82Å; R30-K200 VanDerWaalsContact O-NZ 3.17Å; D31-K200 VanDerWaalsContact O-CB 3.28Å; D31-K200 WeakPolarHBondContact O-CB 3.48Å; D31-K200 WeakPolarHBondContact O-CD 3.02Å; D31-K200 WeakPolarHBondContact O-CG 3.02Å; S32-K200 VanDerWaalsContact N-CD 3.3Å; L33-K200 HydrophobicContact CB-CD 4.3Å; L33-K200 HydrophobicContact CB-CG 4.35Å; V34-K200 CarbonylContact C-O 3.57Å; V34-K200 VanDerWaalsContact CB-CA 3.48Å; V34-K200 HydrophobicContact CB-CB 3.68Å; V34-K200 HydrophobicContact CB-CG 3.52Å; V34-K200 WeakPolarHBondContact CB-O 3.31Å; V34-K200 HydrophobicContact CG1-CB 4.36Å; V34-K200 WeakPolarHBondContact CG1-O 3.44Å; V34-K200 HydrophobicContact CG2-CB 4.2Å; V34-K200 HydrophobicContact CG2-CD 4.16Å; V34-K200 HydrophobicContact CG2-CG 3.67Å; V34-K200 CarbonylContact O-C 2.72Å; G196-K200 PolarHBondContact O-N 2.98Å; V197-K200 WeakPolarHBondContact O-CB 3.13Å; K198-K200 VanDerWaalsContact C-N 3.34Å; K198-K200 CarbonylContact O-C 3.6Å; K200-D202 PolarHBondContact O-N 3.47Å; K200-S203 PolarHBondContact O-N 2.79Å
201	R	35.5	Very low	37	Very low	147 Å²	147	70.3 Å²	70.3	56%	0.555	37%	0.369	S	S	*	.	H	α-helix	trans	-46	-40.8	-167.9	-168.6	-155.7	62.6	-176.3	-2.2	113.3	V197 K198 S203 L205	V197-R201 PolarHBondContact O-N 3.15Å; K198-R201 CarbonylContact O-C 3.52Å; K198-R201 PolarHBondContact O-N 3.39Å; K198-R201 VanDerWaalsContact O-N 3.07Å; R201-S203 VanDerWaalsContact C-N 3.26Å; R201-S203 PolarHBondContact O-N 3.11Å; R201-L205 HydrophobicContact CG-CD1 3.84Å; R201-L205 HydrophobicContact CG-CG 4.44Å; R201-L205 WeakPolarHBondContact O-CB 3.22Å; R201-L205 WeakPolarHBondContact O-CG 3.25Å; R201-L205 PolarHBondContact O-N 2.91Å
202	D	44.9	Very low	37.4	Very low	47 Å²	47	65.3 Å²	65.3	25%	0.251	33%	0.332	S	S	.	.	H	α-helix	trans	-66.3	-15.7	-177.2	-65.6	-12.2	0	0	0	114.3	K198 K200 L205 R206	K198-D202 WeakPolarHBondContact CG-OD2 3.38Å; K198-D202 WeakPolarHBondContact O-CA 3.08Å; K198-D202 WeakPolarHBondContact O-CB 3.38Å; K198-D202 PolarHBondContact O-N 3.19Å; K200-D202 PolarHBondContact O-N 3.47Å; D202-L205 CarbonylContact O-C 3.52Å; D202-L205 VanDerWaalsContact O-C 3.32Å; D202-R206 VanDerWaalsContact O-CB 3.29Å; D202-R206 WeakPolarHBondContact O-CB 3.33Å; D202-R206 PolarHBondContact O-N 3.33Å
203	S	41.6	Very low	37.9	Very low	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-123.9	7.8	177.2	17.2	0	0	0	0	118.7	V34 T35 E36 E199 K200 R201 R206 W207	V34-S203 CarbonylContact O-C 3.47Å; V34-S203 WeakPolarHBondContact O-CA 3.28Å; V34-S203 VanDerWaalsContact O-CB 3.23Å; V34-S203 WeakPolarHBondContact O-CB 3.25Å; V34-S203 PolarHBondContact O-N 2.78Å; V34-S203 PolarHBondContact O-OG 2.86Å; T35-S203 VanDerWaalsContact CG2-OG 3.28Å; T35-S203 WeakPolarHBondContact CG2-OG 3.41Å; E36-S203 WeakPolarHBondContact CG-O 3.14Å; E36-S203 PolarHBondContact N-O 3.13Å; E199-S203 PolarHBondContact O-N 3.23Å; E199-S203 PolarHBondContact O-OG 3.47Å; K200-S203 PolarHBondContact O-N 2.79Å; R201-S203 VanDerWaalsContact C-N 3.26Å; R201-S203 PolarHBondContact O-N 3.11Å; S203-R206 VanDerWaalsContact CA-N 3.31Å; S203-R206 VanDerWaalsContact CB-CZ 3.49Å; S203-R206 PolarHBondContact OG-NH2 2.78Å; S203-W207 WeakPolarHBondContact O-CB 3.36Å; S203-W207 PolarHBondContact O-N 2.9Å
204	I	37.8	Very low	37.8	Very low	57 Å²	57	56.1 Å²	56.1	29%	0.292	27%	0.272	S	S	.	.	H	α-helix	trans	-90.3	-15.3	136.4	-64.6	-179.8	0	0	0	108.8	V34 R206 W207 L208	V34-I204 HydrophobicContact CB-CB 4.32Å; V34-I204 HydrophobicContact CB-CD1 3.96Å; V34-I204 HydrophobicContact CB-CG1 3.8Å; V34-I204 HydrophobicContact CG1-CB 3.25Å; V34-I204 HydrophobicContact CG1-CD1 3.62Å; V34-I204 HydrophobicContact CG1-CG1 3.25Å; V34-I204 HydrophobicContact CG2-CD1 3.76Å; V34-I204 HydrophobicContact CG2-CG1 4.19Å; V34-I204 PolarHBondContact O-N 2.71Å; I204-R206 VanDerWaalsContact C-N 3.32Å; I204-W207 HydrophobicContact CG2-CE3 4.33Å; I204-L208 HydrophobicContact CG2-CD1 3.65Å; I204-L208 HydrophobicContact CG2-CG 3.67Å; I204-L208 VanDerWaalsContact O-CA 3.22Å; I204-L208 WeakPolarHBondContact O-CA 2.86Å; I204-L208 WeakPolarHBondContact O-CB 3.29Å; I204-L208 WeakPolarHBondContact O-CG 3.21Å; I204-L208 PolarHBondContact O-N 3.45Å
205	L	40.5	Very low	37.4	Very low	73 Å²	73	52.3 Å²	52.3	38%	0.382	25%	0.247	S	C	.	.	H	α-helix	trans	-83.9	-8.5	158.9	-67.7	173.1	0	0	0	112.8	R201 D202 R209	R201-L205 HydrophobicContact CG-CD1 3.84Å; R201-L205 HydrophobicContact CG-CG 4.44Å; R201-L205 WeakPolarHBondContact O-CB 3.22Å; R201-L205 WeakPolarHBondContact O-CG 3.25Å; R201-L205 PolarHBondContact O-N 2.91Å; D202-L205 CarbonylContact O-C 3.52Å; D202-L205 VanDerWaalsContact O-C 3.32Å; L205-R209 WeakPolarHBondContact O-CB 2.77Å; L205-R209 WeakPolarHBondContact O-CG 3.49Å; L205-R209 PolarHBondContact O-N 2.9Å; L205-R209 PolarHBondContact O-NE 3.29Å; L205-R209 PolarHBondContact O-NH2 3.14Å
206	R	44	Very low	37.3	Very low	110 Å²	110	50 Å²	50	42%	0.415	23%	0.233	S	C	.	.	H	α-helix	trans	-98	-38.8	165.2	-142.2	-170.4	-42.7	111.1	2.8	109.4	E36 D202 S203 I204 R209 S210	E36-R206 HydrophobicContact CG-CB 4Å; E36-R206 WeakPolarHBondContact OE1-CB 3.44Å; E36-R206 WeakPolarHBondContact OE1-CD 3.2Å; E36-R206 WeakPolarHBondContact OE1-CG 3.38Å; E36-R206 VanDerWaalsContact OE2-CD 3.26Å; E36-R206 WeakPolarHBondContact OE2-CD 3.28Å; E36-R206 IonicContact OE2-CZ 2.61Å; E36-R206 IonicContact OE2-NE 3.61Å; E36-R206 IonicContact OE2-NH1 2.67Å; E36-R206 PolarHBondContact OE2-NH1 3.38Å; D202-R206 VanDerWaalsContact O-CB 3.29Å; D202-R206 WeakPolarHBondContact O-CB 3.33Å; D202-R206 PolarHBondContact O-N 3.33Å; S203-R206 VanDerWaalsContact CA-N 3.31Å; S203-R206 VanDerWaalsContact CB-CZ 3.49Å; S203-R206 PolarHBondContact OG-NH2 2.78Å; I204-R206 VanDerWaalsContact C-N 3.32Å; R206-R209 CarbonylContact O-C 2.73Å; R206-R209 VanDerWaalsContact O-CA 3.22Å; R206-R209 WeakPolarHBondContact O-CA 3.49Å; R206-R209 PolarHBondContact O-N 3.19Å; R206-S210 WeakPolarHBondContact O-CB 3.39Å; R206-S210 PolarHBondContact O-N 3.27Å
207	W	39.8	Very low	37.5	Very low	45 Å²	45	50.7 Å²	50.7	17%	0.17	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-56	164.3	-171.9	84.7	0	0	0	110.6	E36 L39 F40 S203 I204 R209 S210 V211 K212	E36-W207 HydrophobicContact CG-CB 4.05Å; L39-W207 HydrophobicContact CB-CG 4.38Å; L39-W207 VanDerWaalsContact CB-NE1 3.35Å; L39-W207 HydrophobicContact CD1-CB 4.17Å; L39-W207 HydrophobicContact CD1-CD2 3.56Å; L39-W207 HydrophobicContact CD1-CE3 4.17Å; L39-W207 HydrophobicContact CD1-CG 3.54Å; L39-W207 HydrophobicContact CD1-CZ2 4.28Å; L39-W207 HydrophobicContact CD2-CZ2 4.27Å; F40-W207 AromaticContact CD2-CD1 3.94Å; F40-W207 AromaticContact CE1-NE1 3.86Å; F40-W207 AromaticContact CE2-CD1 3.27Å; F40-W207 HydrophobicContact CE2-CG 4.41Å; F40-W207 AromaticContact CE2-NE1 3.67Å; F40-W207 AromaticContact CZ-CD1 3.5Å; F40-W207 AromaticContact CZ-NE1 3.41Å; S203-W207 WeakPolarHBondContact O-CB 3.36Å; S203-W207 PolarHBondContact O-N 2.9Å; I204-W207 HydrophobicContact CG2-CE3 4.33Å; W207-R209 PolarHBondContact O-N 3.16Å; W207-S210 CarbonylContact O-C 3.5Å; W207-S210 VanDerWaalsContact O-C 3.27Å; W207-S210 WeakPolarHBondContact O-CA 3.49Å; W207-S210 PolarHBondContact O-N 3.08Å; W207-V211 HydrophobicContact CD2-CB 3.84Å; W207-V211 HydrophobicContact CD2-CG1 4.45Å; W207-V211 HydrophobicContact CD2-CG2 3.71Å; W207-V211 HydrophobicContact CE3-CB 4.04Å; W207-V211 HydrophobicContact CE3-CG1 4.27Å; W207-V211 HydrophobicContact CE3-CG2 4.33Å; W207-V211 HydrophobicContact CG-CB 4.39Å; W207-V211 HydrophobicContact CG-CG2 4.17Å; W207-V211 HydrophobicContact CH2-CB 4.34Å; W207-V211 HydrophobicContact CH2-CG1 3.96Å; W207-V211 HydrophobicContact CH2-CG2 4.2Å; W207-V211 HydrophobicContact CZ2-CB 4.15Å; W207-V211 HydrophobicContact CZ2-CG1 4.14Å; W207-V211 HydrophobicContact CZ2-CG2 3.55Å; W207-V211 HydrophobicContact CZ3-CB 4.28Å; W207-V211 HydrophobicContact CZ3-CG1 4.03Å; W207-V211 CarbonylContact O-C 3.45Å; W207-V211 WeakPolarHBondContact O-CA 3.16Å; W207-V211 WeakPolarHBondContact O-CB 3.24Å; W207-V211 PolarHBondContact O-N 3.39Å; W207-K212 PolarHBondContact O-N 3.41Å
208	L	36	Very low	37.1	Very low	58 Å²	58	47.6 Å²	47.6	30%	0.304	21%	0.213	S	C	.	.	H	α-helix	trans	-72.3	30.7	162.7	-48.4	170.2	0	0	0	113.4	W158 I204 V211 K212	W158-L208 HydrophobicContact CH2-CD2 4.3Å; W158-L208 HydrophobicContact CZ3-CD2 3.95Å; I204-L208 HydrophobicContact CG2-CD1 3.65Å; I204-L208 HydrophobicContact CG2-CG 3.67Å; I204-L208 VanDerWaalsContact O-CA 3.22Å; I204-L208 WeakPolarHBondContact O-CA 2.86Å; I204-L208 WeakPolarHBondContact O-CB 3.29Å; I204-L208 WeakPolarHBondContact O-CG 3.21Å; I204-L208 PolarHBondContact O-N 3.45Å; L208-V211 HydrophobicContact CD2-CG1 4.18Å; L208-K212 VanDerWaalsContact C-N 3.27Å; L208-K212 WeakPolarHBondContact O-CB 3.32Å
209	R	43.2	Very low	36.7	Very low	81 Å²	81	41.5 Å²	41.5	31%	0.306	19%	0.186	S	C	.	.	H	α-helix	trans	-134	6.4	150.7	-82.6	-175.3	-73.1	154.4	8.8	114.1	G88 L205 R206 W207 K212 E213	G88-R209 WeakPolarHBondContact O-CD 3.46Å; G88-R209 PolarHBondContact O-NH1 3.41Å; L205-R209 WeakPolarHBondContact O-CB 2.77Å; L205-R209 WeakPolarHBondContact O-CG 3.49Å; L205-R209 PolarHBondContact O-N 2.9Å; L205-R209 PolarHBondContact O-NE 3.29Å; L205-R209 PolarHBondContact O-NH2 3.14Å; R206-R209 CarbonylContact O-C 2.73Å; R206-R209 VanDerWaalsContact O-CA 3.22Å; R206-R209 WeakPolarHBondContact O-CA 3.49Å; R206-R209 PolarHBondContact O-N 3.19Å; W207-R209 PolarHBondContact O-N 3.16Å; R209-K212 VanDerWaalsContact C-N 3.31Å; R209-K212 VanDerWaalsContact CA-C 3.43Å; R209-K212 VanDerWaalsContact CA-N 3.32Å; R209-K212 HydrophobicContact CG-CB 4.27Å; R209-K212 CarbonylContact O-C 3.58Å; R209-E213 WeakPolarHBondContact O-CA 3.27Å; R209-E213 WeakPolarHBondContact O-CB 3.09Å; R209-E213 WeakPolarHBondContact O-CG 3.47Å; R209-E213 PolarHBondContact O-N 3.31Å
210	S	34.7	Very low	36.4	Very low	17 Å²	17	36.7 Å²	36.7	12%	0.119	16%	0.164	C	C	.	.	H	α-helix	trans	-108.7	-65.5	163.7	165.4	0	0	0	0	105.5	F40 R206 W207 K212 E213 N214	F40-S210 WeakPolarHBondContact CE2-OG 3.39Å; F40-S210 WeakPolarHBondContact CZ-OG 3.49Å; R206-S210 WeakPolarHBondContact O-CB 3.39Å; R206-S210 PolarHBondContact O-N 3.27Å; W207-S210 CarbonylContact O-C 3.5Å; W207-S210 VanDerWaalsContact O-C 3.27Å; W207-S210 WeakPolarHBondContact O-CA 3.49Å; W207-S210 PolarHBondContact O-N 3.08Å; S210-K212 VanDerWaalsContact N-N 3.13Å; S210-K212 CarbonylContact O-C 3.32Å; S210-K212 PolarHBondContact O-N 2.95Å; S210-E213 CarbonylContact O-C 3.53Å; S210-E213 VanDerWaalsContact O-CA 3.25Å; S210-E213 WeakPolarHBondContact O-CA 3.28Å; S210-E213 PolarHBondContact O-N 3.07Å; S210-N214 WeakPolarHBondContact O-CA 3.01Å; S210-N214 WeakPolarHBondContact O-CB 3.28Å; S210-N214 PolarHBondContact O-N 3.05Å; S210-N214 PolarHBondContact O-OD1 2.94Å; S210-N214 PolarHBondContact OG-OD1 3.39Å; S210-N214 VanDerWaalsContact OG-OD1 3.05Å
211	V	32.5	Very low	36.1	Very low	2 Å²	2	40 Å²	40	1%	0.012	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-1.9	144	-173.1	0	0	0	0	115.3	F40 L77 L81 M161 W207 L208	F40-V211 HydrophobicContact CE1-CG2 4.47Å; F40-V211 HydrophobicContact CZ-CG2 3.87Å; L77-V211 HydrophobicContact CD2-CG1 4.46Å; L77-V211 HydrophobicContact CD2-CG2 3.98Å; L81-V211 VanDerWaalsContact CD1-C 3.48Å; L81-V211 WeakPolarHBondContact CD1-O 2.97Å; M161-V211 HydrophobicContact CB-CG1 3.75Å; M161-V211 WeakPolarHBondContact CE-O 3.47Å; M161-V211 HydrophobicContact CG-CG1 3.59Å; M161-V211 HydrophobicContact SD-CB 4.45Å; M161-V211 HydrophobicContact SD-CG1 3.22Å; M161-V211 WeakPolarHBondContact SD-CG1 2.79Å; W207-V211 HydrophobicContact CD2-CB 3.84Å; W207-V211 HydrophobicContact CD2-CG1 4.45Å; W207-V211 HydrophobicContact CD2-CG2 3.71Å; W207-V211 HydrophobicContact CE3-CB 4.04Å; W207-V211 HydrophobicContact CE3-CG1 4.27Å; W207-V211 HydrophobicContact CE3-CG2 4.33Å; W207-V211 HydrophobicContact CG-CB 4.39Å; W207-V211 HydrophobicContact CG-CG2 4.17Å; W207-V211 HydrophobicContact CH2-CB 4.34Å; W207-V211 HydrophobicContact CH2-CG1 3.96Å; W207-V211 HydrophobicContact CH2-CG2 4.2Å; W207-V211 HydrophobicContact CZ2-CB 4.15Å; W207-V211 HydrophobicContact CZ2-CG1 4.14Å; W207-V211 HydrophobicContact CZ2-CG2 3.55Å; W207-V211 HydrophobicContact CZ3-CB 4.28Å; W207-V211 HydrophobicContact CZ3-CG1 4.03Å; W207-V211 CarbonylContact O-C 3.45Å; W207-V211 WeakPolarHBondContact O-CA 3.16Å; W207-V211 WeakPolarHBondContact O-CB 3.24Å; W207-V211 PolarHBondContact O-N 3.39Å; L208-V211 HydrophobicContact CD2-CG1 4.18Å
212	K	33.8	Very low	35.8	Very low	17 Å²	17	34.9 Å²	34.9	7%	0.074	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121	26.3	148.6	-143.6	-167.4	-170.2	-160.1	0	116.4	L81 Y85 E154 W158 W207 L208 R209 S210	L81-K212 VanDerWaalsContact CB-C 3.41Å; L81-K212 WeakPolarHBondContact CB-O 2.9Å; L81-K212 VanDerWaalsContact CD1-C 3.5Å; L81-K212 HydrophobicContact CD1-CB 4.3Å; L81-K212 HydrophobicContact CD1-CG 4.27Å; L81-K212 HydrophobicContact CD2-CB 4.38Å; L81-K212 HydrophobicContact CD2-CG 3.54Å; L81-K212 HydrophobicContact CG-CG 4.42Å; Y85-K212 HydrophobicContact CD2-CD 4.26Å; Y85-K212 HydrophobicContact CD2-CG 3.86Å; Y85-K212 WeakPolarHBondContact CD2-O 3.26Å; Y85-K212 HydrophobicContact CE1-CD 4.48Å; Y85-K212 HydrophobicContact CE2-CD 3.98Å; Y85-K212 VanDerWaalsContact CE2-CE 3.45Å; Y85-K212 HydrophobicContact CE2-CG 3.75Å; Y85-K212 VanDerWaalsContact CZ-NZ 3.26Å; Y85-K212 VanDerWaalsContact OH-CE 3.27Å; Y85-K212 WeakPolarHBondContact OH-CE 3.36Å; Y85-K212 PolarHBondContact OH-NZ 3.09Å; Y85-K212 VanDerWaalsContact OH-NZ 3.13Å; E154-K212 VanDerWaalsContact OE1-CE 3.24Å; E154-K212 WeakPolarHBondContact OE1-CE 3.22Å; E154-K212 IonicContact OE1-NZ 3.08Å; E154-K212 PolarHBondContact OE1-NZ 3.19Å; W158-K212 HydrophobicContact CH2-CB 4.32Å; W158-K212 HydrophobicContact CH2-CD 4.3Å; W158-K212 HydrophobicContact CH2-CG 4.2Å; W158-K212 HydrophobicContact CZ2-CB 4.44Å; W158-K212 HydrophobicContact CZ2-CD 3.69Å; W158-K212 HydrophobicContact CZ2-CG 3.82Å; W207-K212 PolarHBondContact O-N 3.41Å; L208-K212 VanDerWaalsContact C-N 3.27Å; L208-K212 WeakPolarHBondContact O-CB 3.32Å; R209-K212 VanDerWaalsContact C-N 3.31Å; R209-K212 VanDerWaalsContact CA-C 3.43Å; R209-K212 VanDerWaalsContact CA-N 3.32Å; R209-K212 HydrophobicContact CG-CB 4.27Å; R209-K212 CarbonylContact O-C 3.58Å; S210-K212 VanDerWaalsContact N-N 3.13Å; S210-K212 CarbonylContact O-C 3.32Å; S210-K212 PolarHBondContact O-N 2.95Å
213	E	37.6	Very low	35	Very low	55 Å²	55	33.1 Å²	33.1	26%	0.257	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	5.4	157.4	-87.7	167.4	-171.4	0	0	113.3	R78 D80 L81 E82 G88 R209 S210	R78-E213 VanDerWaalsContact O-O 3.11Å; D80-E213 PolarHBondContact N-O 2.98Å; L81-E213 CarbonylContact C-O 3.01Å; L81-E213 VanDerWaalsContact CA-CA 3.4Å; L81-E213 VanDerWaalsContact CA-O 3.29Å; L81-E213 WeakPolarHBondContact CA-O 3.25Å; L81-E213 PolarHBondContact N-O 2.69Å; E82-E213 HydrophobicContact CG-CB 4.09Å; E82-E213 HydrophobicContact CG-CG 4.41Å; E82-E213 VanDerWaalsContact N-C 3.31Å; E82-E213 PolarHBondContact N-O 3.28Å; G88-E213 WeakPolarHBondContact CA-OE1 3.04Å; G88-E213 PolarHBondContact N-OE1 3.17Å; G88-E213 VanDerWaalsContact N-OE1 3.12Å; R209-E213 WeakPolarHBondContact O-CA 3.27Å; R209-E213 WeakPolarHBondContact O-CB 3.09Å; R209-E213 WeakPolarHBondContact O-CG 3.47Å; R209-E213 PolarHBondContact O-N 3.31Å; S210-E213 CarbonylContact O-C 3.53Å; S210-E213 VanDerWaalsContact O-CA 3.25Å; S210-E213 WeakPolarHBondContact O-CA 3.28Å; S210-E213 PolarHBondContact O-N 3.07Å
214	N	30.2	Very low	34.9	Very low	4 Å²	4	37.5 Å²	37.5	2%	0.021	19%	0.185	C	C	.	.	S	Bend	trans	-108	-102.2	-171.2	-70.7	23.5	0	0	0	110.4	L77 R78 D80 L81 S210 S216	L77-N214 HydrophobicContact CB-CB 3.62Å; L77-N214 HydrophobicContact CD2-CB 3.6Å; L77-N214 HydrophobicContact CG-CB 3.5Å; L77-N214 CarbonylContact O-C 3.57Å; L77-N214 WeakPolarHBondContact O-CA 3.18Å; L77-N214 VanDerWaalsContact O-CB 3.29Å; L77-N214 WeakPolarHBondContact O-CB 3.23Å; R78-N214 WeakPolarHBondContact CA-OD1 3.26Å; D80-N214 CarbonylContact C-O 3.59Å; D80-N214 WeakPolarHBondContact CA-O 3.19Å; D80-N214 WeakPolarHBondContact CB-O 3.44Å; D80-N214 PolarHBondContact N-O 3.48Å; D80-N214 VanDerWaalsContact OD2-C 3.22Å; L81-N214 HydrophobicContact CD1-CB 4.2Å; L81-N214 VanDerWaalsContact N-C 3.25Å; L81-N214 PolarHBondContact N-O 3.38Å; S210-N214 WeakPolarHBondContact O-CA 3.01Å; S210-N214 WeakPolarHBondContact O-CB 3.28Å; S210-N214 PolarHBondContact O-N 3.05Å; S210-N214 PolarHBondContact O-OD1 2.94Å; S210-N214 PolarHBondContact OG-OD1 3.39Å; S210-N214 VanDerWaalsContact OG-OD1 3.05Å; N214-S216 PolarHBondContact O-N 3.37Å
215	A	29.7	Very low	34.8	Very low	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43	8.8	-171.5	0	0	0	0	0	125.3	L77 D80 L81 T157 K160 M161 N218 Y219	L77-A215 HydrophobicContact CD1-CB 3.55Å; L77-A215 HydrophobicContact CG-CB 3.81Å; L77-A215 PolarHBondContact O-N 2.86Å; D80-A215 WeakPolarHBondContact OD2-CA 3.46Å; D80-A215 PolarHBondContact OD2-N 2.87Å; L81-A215 HydrophobicContact CD1-CB 4.2Å; T157-A215 WeakPolarHBondContact CA-O 3.43Å; T157-A215 WeakPolarHBondContact CB-O 3.44Å; T157-A215 HydrophobicContact CG2-CB 3.64Å; T157-A215 WeakPolarHBondContact O-CB 3.1Å; T157-A215 PolarHBondContact OG1-O 3.01Å; K160-A215 HydrophobicContact CB-CB 4.3Å; M161-A215 HydrophobicContact CE-CB 4.14Å; M161-A215 HydrophobicContact CG-CB 3.73Å; A215-N218 WeakPolarHBondContact O-CB 3.32Å; A215-Y219 PolarHBondContact O-N 3.22Å
216	S	36.8	Very low	34.5	Very low	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-11.2	-170.9	-99.3	0	0	0	0	126	D80 L81 L84 K153 T157 N214 N218 Y219 Q220	D80-S216 VanDerWaalsContact C-N 3.25Å; D80-S216 VanDerWaalsContact CB-N 3.3Å; D80-S216 CarbonylContact O-C 3.11Å; D80-S216 WeakPolarHBondContact O-CA 3.32Å; D80-S216 WeakPolarHBondContact O-CB 3.43Å; D80-S216 PolarHBondContact O-N 2.84Å; L81-S216 WeakPolarHBondContact CD2-OG 3.4Å; L81-S216 VanDerWaalsContact CG-CB 3.47Å; L84-S216 WeakPolarHBondContact CD1-OG 3.36Å; K153-S216 PolarHBondContact O-OG 3.19Å; T157-S216 WeakPolarHBondContact CG2-OG 3.5Å; T157-S216 WeakPolarHBondContact OG1-CA 3.33Å; T157-S216 PolarHBondContact OG1-OG 3Å; N214-S216 PolarHBondContact O-N 3.37Å; S216-N218 VanDerWaalsContact C-N 3.33Å; S216-Y219 CarbonylContact O-C 3.54Å; S216-Q220 WeakPolarHBondContact O-CA 3.49Å; S216-Q220 WeakPolarHBondContact O-CB 3.43Å; S216-Q220 WeakPolarHBondContact O-CG 3.38Å; S216-Q220 PolarHBondContact O-N 3.21Å
217	D	35.8	Very low	34	Very low	35 Å²	35	38.9 Å²	38.9	19%	0.187	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-3.7	131.6	-31	-155.7	0	0	0	112.3	D80 A83 C120 Q220 S221	D80-D217 VanDerWaalsContact CA-OD2 3.25Å; D80-D217 WeakPolarHBondContact CA-OD2 3.42Å; D80-D217 HydrophobicContact CB-CB 3.4Å; D80-D217 PolarHBondContact O-N 3.19Å; A83-D217 WeakPolarHBondContact CB-OD2 3.47Å; A83-D217 PolarHBondContact N-OD2 3.19Å; C120-D217 WeakPolarHBondContact SG-CB 3.37Å; C120-D217 PolarHBondContact SG-OD1 2.97Å; D217-Q220 VanDerWaalsContact CA-CA 3.44Å; D217-Q220 VanDerWaalsContact CA-N 3.34Å; D217-Q220 HydrophobicContact CB-CB 4.1Å; D217-Q220 CarbonylContact O-C 2.65Å; D217-S221 VanDerWaalsContact C-N 3.3Å; D217-S221 WeakPolarHBondContact O-CA 3.44Å; D217-S221 WeakPolarHBondContact O-CB 3.43Å; D217-S221 PolarHBondContact O-N 3.12Å
218	N	28.2	Very low	33.7	Very low	2 Å²	2	38.6 Å²	38.6	1%	0.011	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-47.9	166	-115.8	-53.2	0	0	0	104.2	T76 L77 D80 K160 A215 S216 I222	T76-N218 VanDerWaalsContact C-ND2 3.31Å; T76-N218 WeakPolarHBondContact CB-OD1 3.41Å; T76-N218 WeakPolarHBondContact CG2-OD1 3.4Å; L77-N218 WeakPolarHBondContact CA-ND2 3.17Å; L77-N218 PolarHBondContact N-ND2 2.87Å; D80-N218 HydrophobicContact CB-CB 4.28Å; D80-N218 WeakPolarHBondContact OD1-CA 3.08Å; D80-N218 WeakPolarHBondContact OD1-CB 3.43Å; D80-N218 PolarHBondContact OD1-N 3.42Å; D80-N218 WeakPolarHBondContact OD2-CB 3.47Å; D80-N218 PolarHBondContact OD2-N 2.96Å; D80-N218 PolarHBondContact OD2-ND2 3.2Å; K160-N218 HydrophobicContact CD-CB 3.72Å; K160-N218 WeakPolarHBondContact CD-OD1 2.81Å; K160-N218 WeakPolarHBondContact CE-OD1 3.44Å; K160-N218 PolarHBondContact NZ-OD1 3.18Å; A215-N218 WeakPolarHBondContact O-CB 3.32Å; S216-N218 VanDerWaalsContact C-N 3.33Å; N218-I222 VanDerWaalsContact O-CB 3.25Å; N218-I222 WeakPolarHBondContact O-CB 3.25Å; N218-I222 VanDerWaalsContact O-CG1 3.26Å; N218-I222 WeakPolarHBondContact O-CG1 3.25Å; N218-I222 PolarHBondContact O-N 2.97Å
219	Y	27.1	Very low	33.6	Very low	6 Å²	6	37.4 Å²	37.4	2%	0.024	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-32	167.6	-151	-171.3	0	0	0	112.5	R152 K153 Q155 T156 T157 A215 S216 S221 I222	R152-Y219 VanDerWaalsContact CA-CE1 3.44Å; R152-Y219 VanDerWaalsContact CA-CZ 3.41Å; R152-Y219 VanDerWaalsContact CA-OH 3.32Å; R152-Y219 WeakPolarHBondContact CA-OH 3.29Å; R152-Y219 HydrophobicContact CG-CE2 3.91Å; R152-Y219 WeakPolarHBondContact CG-OH 3.41Å; R152-Y219 WeakPolarHBondContact O-CD2 3.43Å; R152-Y219 VanDerWaalsContact O-CE1 3.24Å; R152-Y219 WeakPolarHBondContact O-CE1 3.28Å; R152-Y219 WeakPolarHBondContact O-CE2 3.46Å; K153-Y219 VanDerWaalsContact CA-CE1 3.45Å; K153-Y219 WeakPolarHBondContact CD-O 3.39Å; K153-Y219 WeakPolarHBondContact CE-O 3.11Å; K153-Y219 VanDerWaalsContact N-CD1 3.33Å; K153-Y219 PolarHBondContact NZ-O 3.03Å; K153-Y219 WeakPolarHBondContact O-CB 3.37Å; K153-Y219 WeakPolarHBondContact O-CD1 3.26Å; Q155-Y219 VanDerWaalsContact CA-CE1 3.47Å; Q155-Y219 HydrophobicContact CB-CE1 3.64Å; Q155-Y219 VanDerWaalsContact N-CD1 3.29Å; T156-Y219 VanDerWaalsContact CB-CD2 3.45Å; T156-Y219 VanDerWaalsContact CB-CZ 3.43Å; T156-Y219 HydrophobicContact CG2-CD2 4.34Å; T156-Y219 HydrophobicContact CG2-CE2 4.36Å; T156-Y219 PolarHBondContact N-OH 3.07Å; T156-Y219 WeakPolarHBondContact OG1-CE2 3.48Å; T156-Y219 PolarHBondContact OG1-OH 3.42Å; T156-Y219 VanDerWaalsContact OG1-OH 3.12Å; T157-Y219 WeakPolarHBondContact OG1-CB 3.24Å; T157-Y219 VanDerWaalsContact OG1-CD1 3.28Å; T157-Y219 WeakPolarHBondContact OG1-CD1 3.49Å; A215-Y219 PolarHBondContact O-N 3.22Å; S216-Y219 CarbonylContact O-C 3.54Å; Y219-S221 PolarHBondContact O-N 2.72Å; Y219-I222 HydrophobicContact CD2-CB 4.16Å; Y219-I222 HydrophobicContact CD2-CG2 3.64Å; Y219-I222 HydrophobicContact CE2-CG2 3.88Å; Y219-I222 PolarHBondContact O-N 3.33Å
220	Q	35.9	Very low	33	Very low	3 Å²	3	34.7 Å²	34.7	1%	0.014	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-9.9	168.3	-80.7	178	110.6	0	0	111.7	A83 L84 L117 C120 I121 K153 S216 D217	A83-Q220 PolarHBondContact O-NE2 2.72Å; A83-Q220 VanDerWaalsContact O-NE2 3.14Å; L84-Q220 HydrophobicContact CD2-CG 4.3Å; L84-Q220 HydrophobicContact CG-CG 4.44Å; L117-Q220 PolarHBondContact O-OE1 2.74Å; C120-Q220 VanDerWaalsContact C-CG 3.45Å; C120-Q220 VanDerWaalsContact C-OE1 3.26Å; C120-Q220 HydrophobicContact CB-CB 3.42Å; C120-Q220 VanDerWaalsContact CB-CB 3.42Å; C120-Q220 HydrophobicContact CB-CG 3.8Å; C120-Q220 VanDerWaalsContact CB-OE1 3.25Å; C120-Q220 CarbonylContact O-C 2.79Å; C120-Q220 WeakPolarHBondContact O-CB 3.36Å; C120-Q220 WeakPolarHBondContact O-CG 3.46Å; C120-Q220 VanDerWaalsContact SG-CB 3.55Å; I121-Q220 HydrophobicContact CG1-CG 4.48Å; I121-Q220 VanDerWaalsContact CG1-OE1 3.29Å; I121-Q220 VanDerWaalsContact N-OE1 3.07Å; K153-Q220 HydrophobicContact CB-CG 4.23Å; K153-Q220 HydrophobicContact CD-CB 4.42Å; K153-Q220 HydrophobicContact CD-CG 4.02Å; K153-Q220 VanDerWaalsContact CE-CA 3.41Å; K153-Q220 HydrophobicContact CG-CB 3.87Å; K153-Q220 HydrophobicContact CG-CG 3.13Å; K153-Q220 PolarHBondContact NZ-O 3.28Å; S216-Q220 WeakPolarHBondContact O-CA 3.49Å; S216-Q220 WeakPolarHBondContact O-CB 3.43Å; S216-Q220 WeakPolarHBondContact O-CG 3.38Å; S216-Q220 PolarHBondContact O-N 3.21Å; D217-Q220 VanDerWaalsContact CA-CA 3.44Å; D217-Q220 VanDerWaalsContact CA-N 3.34Å; D217-Q220 HydrophobicContact CB-CB 4.1Å; D217-Q220 CarbonylContact O-C 2.65Å
221	S	32.4	Very low	32.8	Very low	80 Å²	80	35.9 Å²	35.9	56%	0.559	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-60.3	161.4	-179.8	0	0	0	0	111.3	D217 Y219 K223 N224	D217-S221 VanDerWaalsContact C-N 3.3Å; D217-S221 WeakPolarHBondContact O-CA 3.44Å; D217-S221 WeakPolarHBondContact O-CB 3.43Å; D217-S221 PolarHBondContact O-N 3.12Å; Y219-S221 PolarHBondContact O-N 2.72Å; S221-K223 PolarHBondContact O-N 2.93Å; S221-N224 PolarHBondContact O-N 3.18Å; S221-N224 VanDerWaalsContact O-N 3.12Å
222	I	28.6	Very low	32.9	Very low	41 Å²	41	38.3 Å²	38.3	21%	0.21	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	1.9	-173.6	-84.9	175.7	0	0	0	118.3	T156 K160 N218 Y219	T156-I222 HydrophobicContact CG2-CD1 3.95Å; T156-I222 HydrophobicContact CG2-CG2 4.36Å; K160-I222 VanDerWaalsContact CE-CD1 3.46Å; N218-I222 VanDerWaalsContact O-CB 3.25Å; N218-I222 WeakPolarHBondContact O-CB 3.25Å; N218-I222 VanDerWaalsContact O-CG1 3.26Å; N218-I222 WeakPolarHBondContact O-CG1 3.25Å; N218-I222 PolarHBondContact O-N 2.97Å; Y219-I222 HydrophobicContact CD2-CB 4.16Å; Y219-I222 HydrophobicContact CD2-CG2 3.64Å; Y219-I222 HydrophobicContact CE2-CG2 3.88Å; Y219-I222 PolarHBondContact O-N 3.33Å
223	K	29.2	Very low	32.8	Very low	9 Å²	9	39.9 Å²	39.9	4%	0.039	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.3	21.9	-175.3	-163.5	-140.5	-150.8	151.6	0	113.7	P148 L149 R152 K153 S221 E225	P148-K223 PolarHBondContact O-NZ 3.46Å; L149-K223 HydrophobicContact CD2-CD 4Å; L149-K223 PolarHBondContact O-NZ 3.27Å; R152-K223 VanDerWaalsContact CB-NZ 3.26Å; R152-K223 WeakPolarHBondContact O-CD 3.37Å; R152-K223 WeakPolarHBondContact O-CE 2.96Å; R152-K223 PolarHBondContact O-NZ 3.24Å; K153-K223 HydrophobicContact CD-CB 3.62Å; K153-K223 HydrophobicContact CD-CD 3.36Å; K153-K223 HydrophobicContact CD-CG 4.2Å; K153-K223 VanDerWaalsContact NZ-C 3.33Å; S221-K223 PolarHBondContact O-N 2.93Å; K223-E225 WeakPolarHBondContact CA-OXT 3.38Å
224	N	38.9	Very low	32.4	Very low	93 Å²	93	38.7 Å²	38.7	50%	0.497	21%	0.205	S	C	.	.			trans	-114.8	11.1	141.3	-62.5	-67	0	0	0	110.8	C120 I121 G122 S221	C120-N224 PolarHBondContact O-ND2 2.96Å; I121-N224 VanDerWaalsContact C-ND2 3.3Å; I121-N224 PolarHBondContact O-ND2 3.32Å; I121-N224 PolarHBondContact O-OD1 3.43Å; G122-N224 WeakPolarHBondContact CA-ND2 3.29Å; G122-N224 WeakPolarHBondContact CA-OD1 3.26Å; G122-N224 PolarHBondContact N-ND2 2.92Å; S221-N224 PolarHBondContact O-N 3.18Å; S221-N224 VanDerWaalsContact O-N 3.12Å
225	E	36	Very low	32.6	Very low	191 Å²	191	41.8 Å²	41.8	89%	0.893	22%	0.221	S	C	*	.				-68.9	0	126.2	-61.5	-179.7	126.8	0	0	110	K223	K223-E225 WeakPolarHBondContact CA-OXT 3.38Å

Retrieved 225 of 225 residues in 256.8 ms (Link to these results)

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