A0A077ZK53_TRITR Loading...

Neuroendocrine convertase 2

AlphaFold DB , UniProt , Accession A0A077ZK53, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 480 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	27.9	Very low	39.8	Very low	245 Å²	245	110.3 Å²	110.3	100%	1.207	56%	0.564	S	S	*	*				0	117.4	0	-90.3	178.1	161.2	0	0	106.2
2	L	31.5	Very low	39.3	Very low	129 Å²	129	101.2 Å²	101.2	68%	0.675	52%	0.518	S	S	*	.			trans	-77.6	127.6	176.9	-68.4	159	0	0	0	108.3	V4 D80	L2-V4 PolarHBondContact O-N 2.77Å; L2-D80 VanDerWaalsContact C-OD2 3.25Å; L2-D80 WeakPolarHBondContact CA-OD2 3.32Å; L2-D80 WeakPolarHBondContact CB-OD2 2.93Å; L2-D80 HydrophobicContact CD2-CB 3.8Å; L2-D80 WeakPolarHBondContact CD2-OD2 3.22Å
3	S	40.7	Very low	38.7	Very low	69 Å²	69	103.7 Å²	103.7	48%	0.483	52%	0.518	S	S	.	.			trans	-79.2	98.1	178.9	80.6	0	0	0	0	109.5	K5 D80	S3-K5 PolarHBondContact O-N 3.33Å; S3-D80 WeakPolarHBondContact CA-OD1 3.28Å; S3-D80 WeakPolarHBondContact CB-OD1 3.39Å; S3-D80 VanDerWaalsContact N-CG 3.28Å; S3-D80 PolarHBondContact N-OD1 3.17Å; S3-D80 VanDerWaalsContact N-OD1 3.14Å; S3-D80 PolarHBondContact N-OD2 3.14Å; S3-D80 PolarHBondContact OG-OD1 3.08Å
4	V	41.2	Very low	38.3	Very low	96 Å²	96	98.4 Å²	98.4	58%	0.582	49%	0.494	S	S	*	.			trans	-78.1	122.7	178.8	179.2	0	0	0	0	108.9	L2 T77	L2-V4 PolarHBondContact O-N 2.77Å; V4-T77 HydrophobicContact CG1-CG2 3.03Å
5	K	50.6	Low	37.7	Very low	105 Å²	105	99.4 Å²	99.4	46%	0.457	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.1	174	-65.3	-174	-175	174.9	0	110.1	S3 Y7 L32 V78	S3-K5 PolarHBondContact O-N 3.33Å; K5-Y7 HydrophobicContact CB-CE2 3.61Å; K5-Y7 WeakPolarHBondContact CB-OH 3.46Å; K5-Y7 WeakPolarHBondContact CD-OH 3.49Å; K5-L32 HydrophobicContact CD-CD2 4.3Å; K5-V78 PolarHBondContact N-O 3.44Å; K5-V78 PolarHBondContact O-N 2.84Å
6	S	44.3	Very low	37.1	Very low	91 Å²	91	98.4 Å²	98.4	64%	0.636	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	134.5	175.2	60.5	0	0	0	0	110.8	I76	S6-I76 CarbonylContact C-O 3.58Å; S6-I76 WeakPolarHBondContact CA-O 3.48Å
7	Y	48	Very low	36.4	Very low	37 Å²	37	97.6 Å²	97.6	15%	0.145	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	148.3	176.6	-60	-87.5	0	0	0	110.1	K5 L32 S75 I76 V78	K5-Y7 HydrophobicContact CB-CE2 3.61Å; K5-Y7 WeakPolarHBondContact CB-OH 3.46Å; K5-Y7 WeakPolarHBondContact CD-OH 3.49Å; Y7-L32 HydrophobicContact CD2-CD1 4.21Å; Y7-L32 HydrophobicContact CE1-CD1 4.2Å; Y7-L32 HydrophobicContact CE1-CG 4.12Å; Y7-L32 HydrophobicContact CE2-CD1 3.47Å; Y7-L32 VanDerWaalsContact CE2-CD1 3.47Å; Y7-L32 HydrophobicContact CE2-CD2 4.35Å; Y7-L32 HydrophobicContact CE2-CG 4Å; Y7-L32 VanDerWaalsContact CZ-CD1 3.48Å; Y7-L32 VanDerWaalsContact CZ-CG 3.48Å; Y7-L32 WeakPolarHBondContact OH-CD2 3.44Å; Y7-L32 WeakPolarHBondContact OH-CG 3.26Å; Y7-S75 CarbonylContact O-C 3.55Å; Y7-S75 WeakPolarHBondContact O-CA 2.96Å; Y7-I76 PolarHBondContact N-O 2.72Å; Y7-I76 PolarHBondContact O-N 2.69Å; Y7-V78 HydrophobicContact CD2-CG2 3.99Å; Y7-V78 HydrophobicContact CE2-CB 4.34Å; Y7-V78 HydrophobicContact CE2-CG2 4.03Å
8	S	42.3	Very low	35.8	Very low	48 Å²	48	97.9 Å²	97.9	34%	0.336	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	144.5	168.5	72.6	0	0	0	0	110	R10 E11 A12	S8-R10 PolarHBondContact O-N 3.38Å; S8-E11 PolarHBondContact N-OE2 3.42Å; S8-E11 PolarHBondContact O-N 2.73Å; S8-E11 WeakPolarHBondContact OG-CG 3.48Å; S8-E11 PolarHBondContact OG-OE2 2.99Å; S8-E11 VanDerWaalsContact OG-OE2 3.12Å; S8-A12 PolarHBondContact O-N 3.4Å
9	I	41.1	Very low	35.5	Very low	68 Å²	68	96.9 Å²	96.9	35%	0.349	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.9	175.7	-69.8	168.8	0	0	0	112	A12 E74 I76	I9-A12 CarbonylContact O-C 3.45Å; I9-E74 VanDerWaalsContact CD1-C 3.41Å; I9-E74 HydrophobicContact CD1-CB 4.08Å; I9-E74 WeakPolarHBondContact CD1-O 3.27Å; I9-E74 VanDerWaalsContact CG1-O 3.26Å; I9-E74 WeakPolarHBondContact CG1-O 3.18Å; I9-E74 PolarHBondContact N-O 3.25Å; I9-E74 VanDerWaalsContact N-O 3.16Å; I9-I76 HydrophobicContact CG1-CD1 4.05Å; I9-I76 HydrophobicContact CG1-CG1 3.9Å
10	R	36.4	Very low	35.3	Very low	206 Å²	206	98.5 Å²	98.5	78%	0.777	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-29.2	175.4	-65.3	-174.5	-177.1	-174.3	1.6	113.6	S8	S8-R10 PolarHBondContact O-N 3.38Å
11	E	33.5	Very low	35.3	Very low	119 Å²	119	102.9 Å²	102.9	56%	0.556	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-23.3	179.6	-69.1	166.3	148.5	0	0	112	S8	S8-E11 PolarHBondContact N-OE2 3.42Å; S8-E11 PolarHBondContact O-N 2.73Å; S8-E11 WeakPolarHBondContact OG-CG 3.48Å; S8-E11 PolarHBondContact OG-OE2 2.99Å; S8-E11 VanDerWaalsContact OG-OE2 3.12Å
12	A	33.7	Very low	35.4	Very low	1 Å²	1	93.2 Å²	93.2	1%	0.008	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	103	176.3	0	0	0	0	0	109.8	S8 I9 V14 L29 I76	S8-A12 PolarHBondContact O-N 3.4Å; I9-A12 CarbonylContact O-C 3.45Å; A12-V14 VanDerWaalsContact C-N 3.34Å; A12-V14 HydrophobicContact CB-CG2 4.22Å; A12-V14 WeakPolarHBondContact O-CG2 3.09Å; A12-V14 PolarHBondContact O-N 2.74Å; A12-L29 HydrophobicContact CB-CD2 3.56Å; A12-L29 HydrophobicContact CB-CG 4.5Å; A12-I76 HydrophobicContact CB-CD1 4.35Å
13	Y	32.2	Very low	35.3	Very low	134 Å²	134	93.3 Å²	93.3	53%	0.525	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	93.6	176.1	-65.7	-87.7	0	0	0	109.8	I26 L27 K28	Y13-I26 WeakPolarHBondContact O-CA 3.34Å; Y13-L27 PolarHBondContact O-N 3.4Å; Y13-K28 HydrophobicContact CD2-CB 4.34Å; Y13-K28 PolarHBondContact N-O 3.19Å
14	V	32.7	Very low	35	Very low	29 Å²	29	92 Å²	92	18%	0.176	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	105.2	172.1	-166.1	0	0	0	0	107.5	A12 F24 I26 I76	A12-V14 VanDerWaalsContact C-N 3.34Å; A12-V14 HydrophobicContact CB-CG2 4.22Å; A12-V14 WeakPolarHBondContact O-CG2 3.09Å; A12-V14 PolarHBondContact O-N 2.74Å; V14-F24 HydrophobicContact CG1-CB 3.91Å; V14-F24 HydrophobicContact CG1-CD1 3.48Å; V14-F24 VanDerWaalsContact CG1-CD1 3.48Å; V14-F24 HydrophobicContact CG1-CE1 4.42Å; V14-F24 HydrophobicContact CG1-CG 4.12Å; V14-I26 HydrophobicContact CB-CG1 4.21Å; V14-I26 HydrophobicContact CG1-CG1 3.86Å; V14-I26 HydrophobicContact CG2-CD1 4.08Å; V14-I26 HydrophobicContact CG2-CG1 3.72Å; V14-I76 HydrophobicContact CB-CD1 4.21Å; V14-I76 HydrophobicContact CG2-CD1 3.26Å
15	F	28.9	Very low	34.8	Very low	114 Å²	114	91.6 Å²	91.6	50%	0.5	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	120.6	171.5	-76	-89.1	0	0	0	108.9	F24 Q25 L27	F15-F24 WeakPolarHBondContact O-CA 3.3Å; F15-Q25 PolarHBondContact N-O 3.11Å; F15-Q25 PolarHBondContact O-N 2.95Å; F15-L27 HydrophobicContact CD2-CD1 3.71Å; F15-L27 HydrophobicContact CD2-CG 4.49Å; F15-L27 HydrophobicContact CE2-CD1 3.72Å
16	V	28.1	Very low	34.3	Very low	83 Å²	83	87.3 Å²	87.3	50%	0.503	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	108.1	163.6	-169.3	0	0	0	0	106.9	A18 P22 F24	V16-A18 PolarHBondContact O-N 2.75Å; V16-A18 VanDerWaalsContact O-N 3.15Å; V16-P22 HydrophobicContact CG1-CB 3.56Å; V16-F24 HydrophobicContact CB-CE1 4.49Å; V16-F24 HydrophobicContact CG1-CE1 4.48Å; V16-F24 HydrophobicContact CG2-CD1 3.74Å; V16-F24 HydrophobicContact CG2-CE1 3.47Å; V16-F24 VanDerWaalsContact CG2-CE1 3.47Å; V16-F24 HydrophobicContact CG2-CZ 4.45Å
17	L	25.6	Very low	33.9	Very low	85 Å²	85	87.9 Å²	87.9	45%	0.445	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	111.2	167.1	-83.4	158.7	0	0	0	107.4	T19 P22 E23	L17-T19 HydrophobicContact CB-CG2 4.41Å; L17-T19 PolarHBondContact O-N 2.87Å; L17-P22 WeakPolarHBondContact O-CA 3.42Å; L17-E23 PolarHBondContact N-O 2.84Å
18	A	26.4	Very low	33.3	Very low	104 Å²	104	90.6 Å²	90.6	86%	0.86	46%	0.459	S	S	*	.			trans	-64.9	69.1	174.8	0	0	0	0	0	110.8	V16	V16-A18 PolarHBondContact O-N 2.75Å; V16-A18 VanDerWaalsContact O-N 3.15Å
19	T	28.9	Very low	33	Very low	78 Å²	78	89.5 Å²	89.5	48%	0.479	45%	0.449	S	S	.	.	S	Bend	trans	-107.9	164.7	162.2	88	0	0	0	0	107.3	L17 R21	L17-T19 HydrophobicContact CB-CG2 4.41Å; L17-T19 PolarHBondContact O-N 2.87Å; T19-R21 CarbonylContact O-C 3.29Å; T19-R21 PolarHBondContact O-N 2.99Å; T19-R21 PolarHBondContact OG1-N 3.16Å; T19-R21 VanDerWaalsContact OG1-N 3.1Å; T19-R21 PolarHBondContact OG1-O 3.29Å
20	S	32.4	Very low	32.8	Very low	128 Å²	128	91.8 Å²	91.8	90%	0.895	46%	0.458	S	S	*	.	S	Bend	trans	-58.5	3.5	170	55.1	0	0	0	0	113.9
21	R	34.1	Very low	32.6	Very low	191 Å²	191	87 Å²	87	72%	0.721	45%	0.454	S	S	*	.	S	Bend	trans	-134.7	94.1	166.7	-63.7	-179.4	180	-176.6	-1.4	107.3	T19 E23	T19-R21 CarbonylContact O-C 3.29Å; T19-R21 PolarHBondContact O-N 2.99Å; T19-R21 PolarHBondContact OG1-N 3.16Å; T19-R21 VanDerWaalsContact OG1-N 3.1Å; T19-R21 PolarHBondContact OG1-O 3.29Å; R21-E23 PolarHBondContact O-N 2.85Å
22	P	30.4	Very low	32.9	Very low	42 Å²	42	83.2 Å²	83.2	27%	0.273	44%	0.437	S	S	.	.			trans	-60.8	102	-179.4	20.8	-29.2	0	0	0	110.2	V16 L17 Q43	V16-P22 HydrophobicContact CG1-CB 3.56Å; L17-P22 WeakPolarHBondContact O-CA 3.42Å; P22-Q43 PolarHBondContact O-OE1 3Å
23	E	30.7	Very low	33.3	Very low	131 Å²	131	85.6 Å²	85.6	61%	0.612	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	116	170	-73.9	-178.2	178.4	0	0	106.9	L17 R21	L17-E23 PolarHBondContact N-O 2.84Å; R21-E23 PolarHBondContact O-N 2.85Å
24	F	34.6	Very low	33.3	Very low	42 Å²	42	87.7 Å²	87.7	18%	0.184	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.3	170.6	-64.6	-82.9	0	0	0	108.8	V14 F15 V16 V41 Q43	V14-F24 HydrophobicContact CG1-CB 3.91Å; V14-F24 HydrophobicContact CG1-CD1 3.48Å; V14-F24 VanDerWaalsContact CG1-CD1 3.48Å; V14-F24 HydrophobicContact CG1-CE1 4.42Å; V14-F24 HydrophobicContact CG1-CG 4.12Å; F15-F24 WeakPolarHBondContact O-CA 3.3Å; V16-F24 HydrophobicContact CB-CE1 4.49Å; V16-F24 HydrophobicContact CG1-CE1 4.48Å; V16-F24 HydrophobicContact CG2-CD1 3.74Å; V16-F24 HydrophobicContact CG2-CE1 3.47Å; V16-F24 VanDerWaalsContact CG2-CE1 3.47Å; V16-F24 HydrophobicContact CG2-CZ 4.45Å; F24-V41 HydrophobicContact CB-CG1 4.09Å; F24-Q43 HydrophobicContact CD2-CB 4.37Å; F24-Q43 HydrophobicContact CD2-CG 4.19Å; F24-Q43 HydrophobicContact CE2-CG 3.91Å
25	Q	35.2	Very low	33.7	Very low	87 Å²	87	92.6 Å²	92.6	41%	0.407	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	107.8	167.7	-154.8	171.9	44.5	0	0	108.4	F15 L27	F15-Q25 PolarHBondContact N-O 3.11Å; F15-Q25 PolarHBondContact O-N 2.95Å; Q25-L27 PolarHBondContact O-N 2.89Å
26	I	40.6	Very low	34.2	Very low	16 Å²	16	89.4 Å²	89.4	8%	0.082	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	112.6	171	-65.7	-178	0	0	0	107.8	Y13 V14 L29 V41 L53	Y13-I26 WeakPolarHBondContact O-CA 3.34Å; V14-I26 HydrophobicContact CB-CG1 4.21Å; V14-I26 HydrophobicContact CG1-CG1 3.86Å; V14-I26 HydrophobicContact CG2-CD1 4.08Å; V14-I26 HydrophobicContact CG2-CG1 3.72Å; I26-L29 HydrophobicContact CD1-CD1 3.98Å; I26-L29 HydrophobicContact CG2-CD1 3.84Å; I26-L29 HydrophobicContact CG2-CG 3.68Å; I26-V41 HydrophobicContact CB-CG2 3.96Å; I26-V41 HydrophobicContact CD1-CG2 3.49Å; I26-V41 VanDerWaalsContact CD1-CG2 3.49Å; I26-V41 HydrophobicContact CG1-CG2 3.61Å; I26-L53 HydrophobicContact CD1-CD1 4.49Å
27	L	35.9	Very low	34.6	Very low	102 Å²	102	92 Å²	92	53%	0.534	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-20.3	179.4	-76.2	169.1	0	0	0	112.8	Y13 F15 Q25	Y13-L27 PolarHBondContact O-N 3.4Å; F15-L27 HydrophobicContact CD2-CD1 3.71Å; F15-L27 HydrophobicContact CD2-CG 4.49Å; F15-L27 HydrophobicContact CE2-CD1 3.72Å; Q25-L27 PolarHBondContact O-N 2.89Å
28	K	35.1	Very low	35.3	Very low	94 Å²	94	88.4 Å²	88.4	41%	0.409	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	117.1	179.5	-124.5	-177.3	174.9	-161.5	0	111	Y13 E30	Y13-K28 HydrophobicContact CD2-CB 4.34Å; Y13-K28 PolarHBondContact N-O 3.19Å; K28-E30 HydrophobicContact CD-CG 4.05Å; K28-E30 WeakPolarHBondContact CE-OE1 3.36Å; K28-E30 WeakPolarHBondContact CE-OE2 3.49Å; K28-E30 HydrophobicContact CG-CG 4.18Å; K28-E30 IonicContact NZ-OE1 3Å; K28-E30 PolarHBondContact NZ-OE1 3.12Å; K28-E30 IonicContact NZ-OE2 2.77Å; K28-E30 PolarHBondContact NZ-OE2 3.4Å
29	L	37.4	Very low	36	Very low	26 Å²	26	86.4 Å²	86.4	14%	0.136	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	69.9	158.5	-79.7	160.1	0	0	0	107.6	A12 I26 L32 L53	A12-L29 HydrophobicContact CB-CD2 3.56Å; A12-L29 HydrophobicContact CB-CG 4.5Å; I26-L29 HydrophobicContact CD1-CD1 3.98Å; I26-L29 HydrophobicContact CG2-CD1 3.84Å; I26-L29 HydrophobicContact CG2-CG 3.68Å; L29-L32 HydrophobicContact CD2-CD1 4.12Å; L29-L32 PolarHBondContact O-N 2.96Å; L29-L53 HydrophobicContact CD1-CD2 3.32Å
30	E	35	Very low	36.6	Very low	115 Å²	115	83.7 Å²	83.7	54%	0.537	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	140.6	161.2	-81	-179.8	151.8	0	0	107.9	K28	K28-E30 HydrophobicContact CD-CG 4.05Å; K28-E30 WeakPolarHBondContact CE-OE1 3.36Å; K28-E30 WeakPolarHBondContact CE-OE2 3.49Å; K28-E30 HydrophobicContact CG-CG 4.18Å; K28-E30 IonicContact NZ-OE1 3Å; K28-E30 PolarHBondContact NZ-OE1 3.12Å; K28-E30 IonicContact NZ-OE2 2.77Å; K28-E30 PolarHBondContact NZ-OE2 3.4Å
31	P	33	Very low	37.1	Very low	106 Å²	106	79.1 Å²	79.1	69%	0.688	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	cis	-113.3	42.8	-14.2	40	-24.4	0	0	0	109.9	I33	P31-I33 PolarHBondContact O-N 3.02Å
32	L	39.6	Very low	37.5	Very low	39 Å²	39	71.4 Å²	71.4	20%	0.204	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.2	-172.4	-115.1	164.1	0	0	0	111.8	K5 Y7 L29 V78	K5-L32 HydrophobicContact CD-CD2 4.3Å; Y7-L32 HydrophobicContact CD2-CD1 4.21Å; Y7-L32 HydrophobicContact CE1-CD1 4.2Å; Y7-L32 HydrophobicContact CE1-CG 4.12Å; Y7-L32 HydrophobicContact CE2-CD1 3.47Å; Y7-L32 VanDerWaalsContact CE2-CD1 3.47Å; Y7-L32 HydrophobicContact CE2-CD2 4.35Å; Y7-L32 HydrophobicContact CE2-CG 4Å; Y7-L32 VanDerWaalsContact CZ-CD1 3.48Å; Y7-L32 VanDerWaalsContact CZ-CG 3.48Å; Y7-L32 WeakPolarHBondContact OH-CD2 3.44Å; Y7-L32 WeakPolarHBondContact OH-CG 3.26Å; L29-L32 HydrophobicContact CD2-CD1 4.12Å; L29-L32 PolarHBondContact O-N 2.96Å; L32-V78 HydrophobicContact CD1-CG2 4.22Å
33	I	42.3	Very low	38	Very low	52 Å²	52	71.4 Å²	71.4	27%	0.267	35%	0.347	S	S	.	.	S	Bend	trans	-147.3	105.9	-177.5	-38.6	173.5	0	0	0	109.3	P31 N35 E36 V55 F65	P31-I33 PolarHBondContact O-N 3.02Å; I33-N35 PolarHBondContact O-N 3.12Å; I33-E36 VanDerWaalsContact CB-CD 3.47Å; I33-E36 HydrophobicContact CB-CG 4.16Å; I33-E36 VanDerWaalsContact CD1-OE1 3.29Å; I33-E36 WeakPolarHBondContact CD1-OE1 3.08Å; I33-E36 WeakPolarHBondContact CD1-OE2 3.09Å; I33-E36 VanDerWaalsContact CG2-CD 3.47Å; I33-E36 HydrophobicContact CG2-CG 3.94Å; I33-E36 WeakPolarHBondContact CG2-OE1 3.38Å; I33-V55 HydrophobicContact CD1-CG1 4.13Å; I33-F65 HydrophobicContact CD1-CE1 4.41Å; I33-F65 HydrophobicContact CD1-CE2 3.66Å; I33-F65 HydrophobicContact CD1-CZ 3.42Å; I33-F65 VanDerWaalsContact CD1-CZ 3.42Å
34	K	33.4	Very low	38.4	Very low	178 Å²	178	66.2 Å²	66.2	77%	0.774	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	135.5	172.8	-71.6	178.7	176.7	178.5	0	108.4
35	N	40	Very low	38.5	Very low	131 Å²	131	69.6 Å²	69.6	70%	0.701	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	12.7	169	-48.1	-32.2	0	0	0	118.6	I33 P58	I33-N35 PolarHBondContact O-N 3.12Å; N35-P58 HydrophobicContact CB-CG 4.09Å; N35-P58 VanDerWaalsContact O-CD 3.27Å; N35-P58 WeakPolarHBondContact O-CD 3.1Å; N35-P58 WeakPolarHBondContact O-CG 3.14Å
36	E	38.9	Very low	38.9	Very low	48 Å²	48	73.6 Å²	73.6	22%	0.224	36%	0.362	C	S	.	.			trans	-90.6	146.8	-177.7	-66.3	-178.4	160.4	0	0	114.4	I33 V55	I33-E36 VanDerWaalsContact CB-CD 3.47Å; I33-E36 HydrophobicContact CB-CG 4.16Å; I33-E36 VanDerWaalsContact CD1-OE1 3.29Å; I33-E36 WeakPolarHBondContact CD1-OE1 3.08Å; I33-E36 WeakPolarHBondContact CD1-OE2 3.09Å; I33-E36 VanDerWaalsContact CG2-CD 3.47Å; I33-E36 HydrophobicContact CG2-CG 3.94Å; I33-E36 WeakPolarHBondContact CG2-OE1 3.38Å; E36-V55 HydrophobicContact CG-CG1 4.14Å; E36-V55 WeakPolarHBondContact OE1-CG1 3.47Å; E36-V55 WeakPolarHBondContact OE2-CG1 3.47Å
37	R	36.8	Very low	39.1	Very low	138 Å²	138	76 Å²	76	52%	0.521	37%	0.373	S	S	.	.			trans	-109.8	-17	-174.9	-70.1	-172.5	176.8	-172.2	0.3	114.5	V204	R37-V204 HydrophobicContact CB-CG1 4.43Å
38	S	41.2	Very low	39.6	Very low	8 Å²	8	79.5 Å²	79.5	6%	0.056	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	128.9	-177.1	71.6	0	0	0	0	114.2	A95 L96	S38-A95 VanDerWaalsContact CB-CA 3.4Å; S38-L96 WeakPolarHBondContact OG-CG 3.2Å; S38-L96 PolarHBondContact OG-N 3.13Å
39	L	40.7	Very low	40.4	Very low	62 Å²	62	77.8 Å²	77.8	33%	0.325	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.9	179	-64.9	164.8	0	0	0	108.3	L53 V55	L39-L53 HydrophobicContact CB-CD1 4.28Å; L39-L53 HydrophobicContact CD2-CD1 4.02Å; L39-L53 HydrophobicContact CD2-CD2 4.33Å; L39-L53 HydrophobicContact CD2-CG 4.46Å; L39-V55 HydrophobicContact CD2-CG2 4.01Å
40	T	41.6	Very low	41.3	Very low	22 Å²	22	76.7 Å²	76.7	14%	0.135	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	130.2	168.7	-63.9	0	0	0	0	109.2	F54 L96 V98	T40-F54 PolarHBondContact N-O 2.72Å; T40-F54 PolarHBondContact O-N 2.82Å; T40-L96 PolarHBondContact OG1-O 3.09Å; T40-V98 HydrophobicContact CG2-CB 4.08Å; T40-V98 HydrophobicContact CG2-CG2 4.01Å
41	V	42.2	Very low	42.6	Very low	31 Å²	31	71.3 Å²	71.3	19%	0.188	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.3	-179.8	180	0	0	0	0	110.5	F24 I26 V52 L53	F24-V41 HydrophobicContact CB-CG1 4.09Å; I26-V41 HydrophobicContact CB-CG2 3.96Å; I26-V41 HydrophobicContact CD1-CG2 3.49Å; I26-V41 VanDerWaalsContact CD1-CG2 3.49Å; I26-V41 HydrophobicContact CG1-CG2 3.61Å; V41-V52 CarbonylContact C-O 3.6Å; V41-L53 HydrophobicContact CG2-CB 4.45Å; V41-L53 HydrophobicContact CG2-CD1 3.48Å; V41-L53 VanDerWaalsContact CG2-CD1 3.48Å
42	W	42.9	Very low	44	Very low	29 Å²	29	66.4 Å²	66.4	11%	0.11	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	141.1	167.7	-167.9	65.4	0	0	0	108.2	N44 G51 V52 F54 L126	W42-N44 HydrophobicContact CE3-CB 4.48Å; W42-N44 HydrophobicContact CZ3-CB 4.23Å; W42-G51 CarbonylContact O-C 3.48Å; W42-G51 VanDerWaalsContact O-C 3.29Å; W42-G51 WeakPolarHBondContact O-CA 3.49Å; W42-V52 HydrophobicContact CB-CB 3.99Å; W42-V52 VanDerWaalsContact CB-O 3.27Å; W42-V52 WeakPolarHBondContact CB-O 3.45Å; W42-V52 HydrophobicContact CD2-CB 4.45Å; W42-V52 HydrophobicContact CE3-CB 3.76Å; W42-V52 HydrophobicContact CE3-CG2 3.56Å; W42-V52 HydrophobicContact CZ3-CG2 4.02Å; W42-V52 PolarHBondContact N-O 2.8Å; W42-V52 PolarHBondContact O-N 2.82Å; W42-F54 HydrophobicContact CB-CE2 4.21Å; W42-L126 HydrophobicContact CE3-CD1 4.24Å; W42-L126 HydrophobicContact CH2-CD1 4.47Å; W42-L126 HydrophobicContact CZ3-CD1 3.84Å
43	Q	40.4	Very low	45.2	Very low	43 Å²	43	64.8 Å²	64.8	20%	0.201	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129.5	166.3	-169.2	-179	15	0	0	108.7	P22 F24 G50	P22-Q43 PolarHBondContact O-OE1 3Å; F24-Q43 HydrophobicContact CD2-CB 4.37Å; F24-Q43 HydrophobicContact CD2-CG 4.19Å; F24-Q43 HydrophobicContact CE2-CG 3.91Å; Q43-G50 WeakPolarHBondContact CG-O 3.44Å
44	N	38.6	Very low	46.4	Very low	22 Å²	22	62.3 Å²	62.3	12%	0.118	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123.7	168	-170.3	5.9	0	0	0	106.8	W42 E46 E47 G50	W42-N44 HydrophobicContact CE3-CB 4.48Å; W42-N44 HydrophobicContact CZ3-CB 4.23Å; N44-E46 VanDerWaalsContact C-N 3.31Å; N44-E46 PolarHBondContact OD1-N 3.25Å; N44-E47 PolarHBondContact ND2-OE2 3.45Å; N44-G50 PolarHBondContact N-O 3.42Å
45	L	36.7	Very low	47.9	Very low	112 Å²	112	53.8 Å²	53.8	59%	0.586	26%	0.262	S	S	*	.	S	Bend	trans	-80.5	-14.7	175.2	-80.4	-176.4	0	0	0	112.7	E47	L45-E47 VanDerWaalsContact C-N 3.29Å
46	E	44.3	Very low	49.3	Very low	172 Å²	172	47.6 Å²	47.6	80%	0.804	23%	0.228	S	C	*	.	S	Bend	trans	-76.3	-22.9	178.4	-65.5	-169.4	165.5	0	0	112.3	N44	N44-E46 VanDerWaalsContact C-N 3.31Å; N44-E46 PolarHBondContact OD1-N 3.25Å
47	E	45.4	Very low	50.7	Low	66 Å²	66	46 Å²	46	31%	0.308	22%	0.222	S	C	.	.	S	Bend	trans	-114.3	108.1	174.1	-69.8	169.6	161.9	0	0	106	N44 L45 N49 G50 L68	N44-E47 PolarHBondContact ND2-OE2 3.45Å; L45-E47 VanDerWaalsContact C-N 3.29Å; E47-N49 PolarHBondContact O-N 2.99Å; E47-G50 PolarHBondContact O-N 3.44Å; E47-L68 HydrophobicContact CB-CD2 3.93Å; E47-L68 VanDerWaalsContact CD-CD2 3.42Å; E47-L68 HydrophobicContact CG-CD2 4.03Å; E47-L68 WeakPolarHBondContact OE2-CD2 3.5Å
48	E	46.7	Very low	52	Low	176 Å²	176	41.6 Å²	41.6	82%	0.822	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-30.1	-175.3	-75.5	-178	146.8	0	0	112.8
49	N	51.6	Low	53.4	Low	58 Å²	58	46.4 Å²	46.4	31%	0.31	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	21.6	179.2	-61.4	-24.1	0	0	0	113.7	E47 A69	E47-N49 PolarHBondContact O-N 2.99Å; N49-A69 HydrophobicContact CB-CB 4.32Å; N49-A69 WeakPolarHBondContact CB-O 3.43Å; N49-A69 WeakPolarHBondContact O-CB 3.18Å; N49-A69 PolarHBondContact O-N 2.71Å
50	G	56.6	Low	54.7	Low	2 Å²	2	43.5 Å²	43.5	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	162.2	-175.3	0	0	0	0	0	115.1	Q43 N44 E47 V67	Q43-G50 WeakPolarHBondContact CG-O 3.44Å; N44-G50 PolarHBondContact N-O 3.42Å; E47-G50 PolarHBondContact O-N 3.44Å; G50-V67 CarbonylContact C-O 3.56Å; G50-V67 VanDerWaalsContact CA-O 3.27Å; G50-V67 WeakPolarHBondContact CA-O 3.4Å
51	G	61.8	Low	56.2	Low	3 Å²	3	45.4 Å²	45.4	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	172.3	-177.2	0	0	0	0	0	113.7	W42 K66 V67	W42-G51 CarbonylContact O-C 3.48Å; W42-G51 VanDerWaalsContact O-C 3.29Å; W42-G51 WeakPolarHBondContact O-CA 3.49Å; G51-K66 WeakPolarHBondContact O-CA 2.88Å; G51-V67 PolarHBondContact N-O 3.33Å; G51-V67 PolarHBondContact O-N 3.16Å
52	V	62.6	Low	57.5	Low	2 Å²	2	44 Å²	44	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117.1	173.5	176.1	0	0	0	0	109.1	V41 W42 F54 Y64 F65 K66 L126	V41-V52 CarbonylContact C-O 3.6Å; W42-V52 HydrophobicContact CB-CB 3.99Å; W42-V52 VanDerWaalsContact CB-O 3.27Å; W42-V52 WeakPolarHBondContact CB-O 3.45Å; W42-V52 HydrophobicContact CD2-CB 4.45Å; W42-V52 HydrophobicContact CE3-CB 3.76Å; W42-V52 HydrophobicContact CE3-CG2 3.56Å; W42-V52 HydrophobicContact CZ3-CG2 4.02Å; W42-V52 PolarHBondContact N-O 2.8Å; W42-V52 PolarHBondContact O-N 2.82Å; V52-F54 HydrophobicContact CB-CE2 4.21Å; V52-F54 HydrophobicContact CG1-CD2 3.95Å; V52-F54 HydrophobicContact CG1-CE2 3.53Å; V52-F54 HydrophobicContact CG1-CZ 4.02Å; V52-Y64 HydrophobicContact CG1-CD2 3.46Å; V52-Y64 VanDerWaalsContact CG1-CD2 3.46Å; V52-Y64 HydrophobicContact CG1-CE2 4.35Å; V52-Y64 HydrophobicContact CG1-CG 3.95Å; V52-F65 CarbonylContact C-O 3.43Å; V52-F65 VanDerWaalsContact CA-O 3.22Å; V52-F65 WeakPolarHBondContact CA-O 3.3Å; V52-K66 HydrophobicContact CG2-CG 4.44Å; V52-L126 HydrophobicContact CB-CD1 4.33Å; V52-L126 HydrophobicContact CG1-CD1 4.23Å; V52-L126 HydrophobicContact CG2-CD1 3.62Å
53	L	64.2	Low	58.8	Low	5 Å²	5	43.1 Å²	43.1	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	119.3	176.8	174	70.6	0	0	0	109.2	I26 L29 L39 V41 V55 Y64 F65 V67	I26-L53 HydrophobicContact CD1-CD1 4.49Å; L29-L53 HydrophobicContact CD1-CD2 3.32Å; L39-L53 HydrophobicContact CB-CD1 4.28Å; L39-L53 HydrophobicContact CD2-CD1 4.02Å; L39-L53 HydrophobicContact CD2-CD2 4.33Å; L39-L53 HydrophobicContact CD2-CG 4.46Å; V41-L53 HydrophobicContact CG2-CB 4.45Å; V41-L53 HydrophobicContact CG2-CD1 3.48Å; V41-L53 VanDerWaalsContact CG2-CD1 3.48Å; L53-V55 HydrophobicContact CD2-CG2 3.98Å; L53-V55 HydrophobicContact CG-CG2 3.77Å; L53-Y64 CarbonylContact O-C 3.45Å; L53-Y64 WeakPolarHBondContact O-CA 3.29Å; L53-F65 HydrophobicContact CB-CB 4.36Å; L53-F65 HydrophobicContact CD2-CD2 4.39Å; L53-F65 PolarHBondContact N-O 3.44Å; L53-F65 PolarHBondContact O-N 2.94Å; L53-V67 HydrophobicContact CB-CG2 3.74Å
54	F	68.3	Low	60.2	Low	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	142.1	172.7	-71.5	-99.3	0	0	0	111	T40 W42 V52 H63 I84 L96 V98 V108 L123 L126	T40-F54 PolarHBondContact N-O 2.72Å; T40-F54 PolarHBondContact O-N 2.82Å; W42-F54 HydrophobicContact CB-CE2 4.21Å; V52-F54 HydrophobicContact CB-CE2 4.21Å; V52-F54 HydrophobicContact CG1-CD2 3.95Å; V52-F54 HydrophobicContact CG1-CE2 3.53Å; V52-F54 HydrophobicContact CG1-CZ 4.02Å; F54-H63 WeakPolarHBondContact CA-O 3.4Å; F54-I84 HydrophobicContact CD1-CD1 3.46Å; F54-I84 VanDerWaalsContact CD1-CD1 3.46Å; F54-I84 HydrophobicContact CE1-CD1 3.42Å; F54-I84 VanDerWaalsContact CE1-CD1 3.42Å; F54-L96 HydrophobicContact CB-CD1 4.25Å; F54-V98 HydrophobicContact CB-CG2 4Å; F54-V98 HydrophobicContact CD1-CG2 4.38Å; F54-V98 HydrophobicContact CD2-CB 4.42Å; F54-V98 HydrophobicContact CD2-CG1 4.2Å; F54-V98 HydrophobicContact CD2-CG2 3.64Å; F54-V98 HydrophobicContact CE2-CG1 3.87Å; F54-V98 HydrophobicContact CE2-CG2 4.13Å; F54-V98 HydrophobicContact CG-CG2 3.76Å; F54-V98 HydrophobicContact CZ-CG1 4.34Å; F54-V108 HydrophobicContact CD1-CG1 4.27Å; F54-V108 HydrophobicContact CD1-CG2 3.9Å; F54-V108 HydrophobicContact CE1-CG2 3.46Å; F54-V108 VanDerWaalsContact CE1-CG2 3.46Å; F54-V108 HydrophobicContact CZ-CG2 3.88Å; F54-L123 HydrophobicContact CE1-CD1 4Å; F54-L123 HydrophobicContact CZ-CD1 4.25Å; F54-L126 HydrophobicContact CE1-CD2 4.42Å; F54-L126 HydrophobicContact CZ-CD2 3.79Å
55	V	65.5	Low	61.6	Low	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	131.5	-165.1	179.6	0	0	0	0	110.8	I33 E36 L39 L53 V62 H63 F65	I33-V55 HydrophobicContact CD1-CG1 4.13Å; E36-V55 HydrophobicContact CG-CG1 4.14Å; E36-V55 WeakPolarHBondContact OE1-CG1 3.47Å; E36-V55 WeakPolarHBondContact OE2-CG1 3.47Å; L39-V55 HydrophobicContact CD2-CG2 4.01Å; L53-V55 HydrophobicContact CD2-CG2 3.98Å; L53-V55 HydrophobicContact CG-CG2 3.77Å; V55-V62 CarbonylContact O-C 3.43Å; V55-V62 VanDerWaalsContact O-CA 3.31Å; V55-V62 WeakPolarHBondContact O-CA 3.27Å; V55-H63 PolarHBondContact N-O 2.79Å; V55-H63 PolarHBondContact O-N 2.82Å; V55-F65 HydrophobicContact CB-CD2 4.48Å; V55-F65 HydrophobicContact CB-CE2 4.03Å; V55-F65 HydrophobicContact CG1-CE2 4.47Å; V55-F65 HydrophobicContact CG2-CD2 3.69Å; V55-F65 HydrophobicContact CG2-CE2 3.59Å
56	G	68.5	Low	63.1	Low	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.4	-178.9	0	0	0	0	0	111.6	E61 L96	G56-E61 WeakPolarHBondContact CA-O 3.22Å; G56-L96 VanDerWaalsContact N-CD1 3.3Å
57	T	68.5	Low	63.9	Low	15 Å²	15	32 Å²	32	9%	0.092	16%	0.161	C	C	.	.			trans	-101.6	157.4	-176.9	79.1	0	0	0	0	112.7	N59 G60 E61 V93	T57-N59 PolarHBondContact O-N 3.43Å; T57-N59 VanDerWaalsContact O-N 3.17Å; T57-N59 PolarHBondContact OG1-N 2.79Å; T57-G60 PolarHBondContact O-N 2.64Å; T57-G60 VanDerWaalsContact O-N 3.08Å; T57-E61 HydrophobicContact CG2-CB 4.19Å; T57-E61 PolarHBondContact N-O 2.84Å; T57-E61 WeakPolarHBondContact OG1-CB 3.14Å; T57-E61 PolarHBondContact OG1-N 2.82Å; T57-E61 VanDerWaalsContact OG1-N 3.16Å; T57-V93 PolarHBondContact O-N 3.23Å; T57-V93 VanDerWaalsContact O-N 3.12Å
58	P	64	Low	64.8	Low	46 Å²	46	32 Å²	32	30%	0.299	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.2	171.7	-23.8	34.3	0	0	0	114.2	N35 G60 P92	N35-P58 HydrophobicContact CB-CG 4.09Å; N35-P58 VanDerWaalsContact O-CD 3.27Å; N35-P58 WeakPolarHBondContact O-CD 3.1Å; N35-P58 WeakPolarHBondContact O-CG 3.14Å; P58-G60 PolarHBondContact O-N 2.82Å; P58-P92 VanDerWaalsContact O-CA 3.28Å; P58-P92 WeakPolarHBondContact O-CA 3.41Å; P58-P92 WeakPolarHBondContact O-CB 3.48Å; P58-P92 WeakPolarHBondContact O-CG 3.11Å
59	N	70.6	Confident	65.5	Low	109 Å²	109	25 Å²	25	58%	0.583	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	6.7	178.4	-64.2	-16.4	0	0	0	112.4	T57 K89	T57-N59 PolarHBondContact O-N 3.43Å; T57-N59 VanDerWaalsContact O-N 3.17Å; T57-N59 PolarHBondContact OG1-N 2.79Å; N59-K89 VanDerWaalsContact O-CA 3.31Å; N59-K89 WeakPolarHBondContact O-CA 3.31Å
60	G	68.2	Low	66	Low	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	81.9	16.7	178.9	0	0	0	0	0	114.1	T57 P58 L88 Y91	T57-G60 PolarHBondContact O-N 2.64Å; T57-G60 VanDerWaalsContact O-N 3.08Å; P58-G60 PolarHBondContact O-N 2.82Å; G60-L88 WeakPolarHBondContact O-CA 3.06Å; G60-L88 WeakPolarHBondContact O-CB 3.01Å; G60-L88 PolarHBondContact O-N 2.86Å; G60-Y91 VanDerWaalsContact CA-O 3.24Å; G60-Y91 WeakPolarHBondContact CA-O 3.49Å
61	E	72.7	Confident	66	Low	63 Å²	63	32.3 Å²	32.3	29%	0.294	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	146.7	177.3	-54.8	178.6	159.8	0	0	110.4	G56 T57 H63	G56-E61 WeakPolarHBondContact CA-O 3.22Å; T57-E61 HydrophobicContact CG2-CB 4.19Å; T57-E61 PolarHBondContact N-O 2.84Å; T57-E61 WeakPolarHBondContact OG1-CB 3.14Å; T57-E61 PolarHBondContact OG1-N 2.82Å; T57-E61 VanDerWaalsContact OG1-N 3.16Å; E61-H63 VanDerWaalsContact CB-NE2 3.3Å; E61-H63 WeakPolarHBondContact CB-NE2 3.43Å; E61-H63 IonicContact OE2-CE1 3.44Å; E61-H63 PolarHBondContact OE2-CE1 3.45Å; E61-H63 IonicContact OE2-NE2 2.94Å; E61-H63 PolarHBondContact OE2-NE2 2.82Å
62	V	70.4	Confident	65.9	Low	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.3	172.2	-168.9	0	0	0	0	108.8	V55 I84 V93 L96 V110	V55-V62 CarbonylContact O-C 3.43Å; V55-V62 VanDerWaalsContact O-CA 3.31Å; V55-V62 WeakPolarHBondContact O-CA 3.27Å; V62-I84 HydrophobicContact CB-CB 4.26Å; V62-I84 HydrophobicContact CB-CD1 4.4Å; V62-I84 HydrophobicContact CG1-CD1 3.72Å; V62-I84 HydrophobicContact CG1-CG1 4.38Å; V62-I84 WeakPolarHBondContact O-CA 3.47Å; V62-I84 VanDerWaalsContact O-CB 3.26Å; V62-I84 WeakPolarHBondContact O-CB 3.27Å; V62-I84 PolarHBondContact O-N 3.04Å; V62-V93 HydrophobicContact CG2-CG2 4.05Å; V62-L96 HydrophobicContact CG1-CD1 4.09Å; V62-L96 HydrophobicContact CG1-CD2 3.98Å; V62-L96 HydrophobicContact CG2-CD2 4.34Å; V62-V110 HydrophobicContact CG2-CG1 3.92Å; V62-V110 HydrophobicContact CG2-CG2 3.99Å
63	H	69.5	Low	65.8	Low	11 Å²	11	40.8 Å²	40.8	5%	0.051	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	162.3	-179.1	-56	-79.4	0	0	0	109.8	F54 V55 E61 F65 Q81 I82 P83	F54-H63 WeakPolarHBondContact CA-O 3.4Å; V55-H63 PolarHBondContact N-O 2.79Å; V55-H63 PolarHBondContact O-N 2.82Å; E61-H63 VanDerWaalsContact CB-NE2 3.3Å; E61-H63 WeakPolarHBondContact CB-NE2 3.43Å; E61-H63 IonicContact OE2-CE1 3.44Å; E61-H63 PolarHBondContact OE2-CE1 3.45Å; E61-H63 IonicContact OE2-NE2 2.94Å; E61-H63 PolarHBondContact OE2-NE2 2.82Å; H63-F65 HydrophobicContact CB-CE2 4.41Å; H63-Q81 HydrophobicContact CB-CG 3.76Å; H63-Q81 PolarHBondContact CD2-NE2 3.39Å; H63-Q81 PolarHBondContact CE1-NE2 3.49Å; H63-Q81 PolarHBondContact ND1-NE2 3.01Å; H63-Q81 PolarHBondContact NE2-NE2 2.83Å; H63-Q81 VanDerWaalsContact NE2-NE2 3.13Å; H63-I82 CarbonylContact C-O 3.45Å; H63-I82 WeakPolarHBondContact CA-O 2.91Å; H63-P83 VanDerWaalsContact ND1-CA 3.31Å; H63-P83 WeakPolarHBondContact ND1-CA 3.48Å
64	Y	70.7	Confident	65.3	Low	1 Å²	1	46.6 Å²	46.6	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.5	166.1	77.1	-87.7	0	0	0	112.2	V52 L53 I82 I84 L126 P127	V52-Y64 HydrophobicContact CG1-CD2 3.46Å; V52-Y64 VanDerWaalsContact CG1-CD2 3.46Å; V52-Y64 HydrophobicContact CG1-CE2 4.35Å; V52-Y64 HydrophobicContact CG1-CG 3.95Å; L53-Y64 CarbonylContact O-C 3.45Å; L53-Y64 WeakPolarHBondContact O-CA 3.29Å; Y64-I82 HydrophobicContact CD1-CB 4.09Å; Y64-I82 HydrophobicContact CD1-CG2 4.24Å; Y64-I82 WeakPolarHBondContact CD1-O 3.41Å; Y64-I82 HydrophobicContact CD2-CB 4.39Å; Y64-I82 HydrophobicContact CD2-CD1 4.44Å; Y64-I82 HydrophobicContact CE1-CB 3.71Å; Y64-I82 HydrophobicContact CE1-CG2 3.45Å; Y64-I82 VanDerWaalsContact CE1-CG2 3.45Å; Y64-I82 HydrophobicContact CE2-CB 4.08Å; Y64-I82 HydrophobicContact CE2-CD1 3.67Å; Y64-I82 HydrophobicContact CE2-CG1 4.41Å; Y64-I82 HydrophobicContact CE2-CG2 4.39Å; Y64-I82 HydrophobicContact CG-CB 4.44Å; Y64-I82 PolarHBondContact N-O 2.87Å; Y64-I82 PolarHBondContact O-N 3.27Å; Y64-I84 HydrophobicContact CD1-CD1 4.23Å; Y64-I84 HydrophobicContact CD1-CG1 3.73Å; Y64-I84 HydrophobicContact CE1-CG1 4.47Å; Y64-L126 HydrophobicContact CE2-CB 4.27Å; Y64-L126 HydrophobicContact CE2-CD1 4.49Å; Y64-L126 HydrophobicContact CE2-CD2 4.36Å; Y64-P127 HydrophobicContact CE1-CG 4.03Å; Y64-P127 PolarHBondContact OH-O 2.68Å
65	F	66.1	Low	64.8	Low	10 Å²	10	47.7 Å²	47.7	4%	0.044	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.9	178.2	-58.7	-99.7	0	0	0	108.4	I33 V52 L53 V55 H63 V78 S79 Q81	I33-F65 HydrophobicContact CD1-CE1 4.41Å; I33-F65 HydrophobicContact CD1-CE2 3.66Å; I33-F65 HydrophobicContact CD1-CZ 3.42Å; I33-F65 VanDerWaalsContact CD1-CZ 3.42Å; V52-F65 CarbonylContact C-O 3.43Å; V52-F65 VanDerWaalsContact CA-O 3.22Å; V52-F65 WeakPolarHBondContact CA-O 3.3Å; L53-F65 HydrophobicContact CB-CB 4.36Å; L53-F65 HydrophobicContact CD2-CD2 4.39Å; L53-F65 PolarHBondContact N-O 3.44Å; L53-F65 PolarHBondContact O-N 2.94Å; V55-F65 HydrophobicContact CB-CD2 4.48Å; V55-F65 HydrophobicContact CB-CE2 4.03Å; V55-F65 HydrophobicContact CG1-CE2 4.47Å; V55-F65 HydrophobicContact CG2-CD2 3.69Å; V55-F65 HydrophobicContact CG2-CE2 3.59Å; H63-F65 HydrophobicContact CB-CE2 4.41Å; F65-V78 HydrophobicContact CB-CG1 3.72Å; F65-V78 HydrophobicContact CD1-CG1 3.82Å; F65-V78 HydrophobicContact CG-CG1 4.04Å; F65-S79 WeakPolarHBondContact CD1-O 3.22Å; F65-Q81 HydrophobicContact CD1-CB 4.24Å; F65-Q81 HydrophobicContact CE1-CB 3.37Å; F65-Q81 HydrophobicContact CE1-CG 3.91Å; F65-Q81 HydrophobicContact CE2-CG 4.17Å; F65-Q81 HydrophobicContact CZ-CB 3.52Å; F65-Q81 HydrophobicContact CZ-CG 3.48Å; F65-Q81 VanDerWaalsContact CZ-CG 3.48Å
66	K	68.4	Low	64.5	Low	91 Å²	91	48 Å²	48	40%	0.396	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	133.8	163.7	-64	-174.6	177	-172.1	0	108.4	G51 V52 V78 S79	G51-K66 WeakPolarHBondContact O-CA 2.88Å; V52-K66 HydrophobicContact CG2-CG 4.44Å; K66-V78 WeakPolarHBondContact O-CA 2.81Å; K66-S79 PolarHBondContact N-OG 3.16Å; K66-S79 PolarHBondContact O-N 3.48Å
67	V	62.2	Low	64.2	Low	13 Å²	13	50 Å²	50	8%	0.079	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.9	-179.7	-175.6	0	0	0	0	107.1	G50 G51 L53 I76 T77	G50-V67 CarbonylContact C-O 3.56Å; G50-V67 VanDerWaalsContact CA-O 3.27Å; G50-V67 WeakPolarHBondContact CA-O 3.4Å; G51-V67 PolarHBondContact N-O 3.33Å; G51-V67 PolarHBondContact O-N 3.16Å; L53-V67 HydrophobicContact CB-CG2 3.74Å; V67-I76 HydrophobicContact CG1-CG2 3.3Å; V67-T77 CarbonylContact C-O 3.58Å; V67-T77 WeakPolarHBondContact CA-O 3.31Å
68	L	64	Low	64	Low	66 Å²	66	49.5 Å²	49.5	35%	0.346	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	113.9	179	-85	166.9	0	0	0	107.8	E47 I76 T77	E47-L68 HydrophobicContact CB-CD2 3.93Å; E47-L68 VanDerWaalsContact CD-CD2 3.42Å; E47-L68 HydrophobicContact CG-CD2 4.03Å; E47-L68 WeakPolarHBondContact OE2-CD2 3.5Å; L68-I76 CarbonylContact O-C 3.59Å; L68-I76 WeakPolarHBondContact O-CA 3.11Å; L68-T77 PolarHBondContact N-O 3.42Å; L68-T77 PolarHBondContact O-N 3.49Å
69	A	61.1	Low	64.1	Low	29 Å²	29	48.6 Å²	48.6	24%	0.24	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	137.4	170.2	0	0	0	0	0	109.6	N49 I76	N49-A69 HydrophobicContact CB-CB 4.32Å; N49-A69 WeakPolarHBondContact CB-O 3.43Å; N49-A69 WeakPolarHBondContact O-CB 3.18Å; N49-A69 PolarHBondContact O-N 2.71Å; A69-I76 HydrophobicContact CB-CG1 4.34Å
70	D	62.5	Low	63.8	Low	66 Å²	66	45.5 Å²	45.5	35%	0.353	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	105.7	170.5	178.5	2.1	0	0	0	108.1	A72 T73 E74 S75	D70-A72 VanDerWaalsContact C-N 3.27Å; D70-A72 PolarHBondContact O-N 2.81Å; D70-A72 WeakPolarHBondContact OD1-CB 2.96Å; D70-A72 PolarHBondContact OD1-N 2.69Å; D70-T73 WeakPolarHBondContact CB-OG1 3.27Å; D70-T73 PolarHBondContact O-N 3.17Å; D70-T73 VanDerWaalsContact OD2-CG2 3.3Å; D70-T73 WeakPolarHBondContact OD2-CG2 3.07Å; D70-T73 PolarHBondContact OD2-OG1 3.01Å; D70-E74 WeakPolarHBondContact O-CA 3.43Å; D70-E74 PolarHBondContact O-N 2.9Å; D70-S75 PolarHBondContact N-O 3.22Å; D70-S75 PolarHBondContact O-N 3.1Å; D70-S75 VanDerWaalsContact O-N 3.11Å
71	E	55.3	Low	63.6	Low	149 Å²	149	49.7 Å²	49.7	70%	0.696	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-33.8	179.3	-68.3	-172.6	156.4	0	0	112	T73 E74	E71-T73 VanDerWaalsContact C-N 3.27Å; E71-T73 PolarHBondContact O-N 3.45Å; E71-E74 PolarHBondContact O-N 2.82Å
72	A	60.6	Low	63.3	Low	96 Å²	96	48.5 Å²	48.5	79%	0.793	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-30.7	-176.7	0	0	0	0	0	111.9	D70	D70-A72 VanDerWaalsContact C-N 3.27Å; D70-A72 PolarHBondContact O-N 2.81Å; D70-A72 WeakPolarHBondContact OD1-CB 2.96Å; D70-A72 PolarHBondContact OD1-N 2.69Å
73	T	60.4	Low	62.8	Low	86 Å²	86	50.3 Å²	50.3	53%	0.528	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	0.7	179.5	59.8	0	0	0	0	113.5	D70 E71 S75	D70-T73 WeakPolarHBondContact CB-OG1 3.27Å; D70-T73 PolarHBondContact O-N 3.17Å; D70-T73 VanDerWaalsContact OD2-CG2 3.3Å; D70-T73 WeakPolarHBondContact OD2-CG2 3.07Å; D70-T73 PolarHBondContact OD2-OG1 3.01Å; E71-T73 VanDerWaalsContact C-N 3.27Å; E71-T73 PolarHBondContact O-N 3.45Å; T73-S75 PolarHBondContact O-N 2.66Å; T73-S75 PolarHBondContact OG1-OG 2.89Å
74	E	54.6	Low	62.4	Low	128 Å²	128	50 Å²	50	60%	0.598	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	40.5	-171.3	-61.8	-174.8	170.6	0	0	112.3	I9 D70 E71	I9-E74 VanDerWaalsContact CD1-C 3.41Å; I9-E74 HydrophobicContact CD1-CB 4.08Å; I9-E74 WeakPolarHBondContact CD1-O 3.27Å; I9-E74 VanDerWaalsContact CG1-O 3.26Å; I9-E74 WeakPolarHBondContact CG1-O 3.18Å; I9-E74 PolarHBondContact N-O 3.25Å; I9-E74 VanDerWaalsContact N-O 3.16Å; D70-E74 WeakPolarHBondContact O-CA 3.43Å; D70-E74 PolarHBondContact O-N 2.9Å; E71-E74 PolarHBondContact O-N 2.82Å
75	S	57.5	Low	61.9	Low	23 Å²	23	51.1 Å²	51.1	16%	0.161	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	157.1	-174.5	79.4	0	0	0	0	112.3	Y7 D70 T73	Y7-S75 CarbonylContact O-C 3.55Å; Y7-S75 WeakPolarHBondContact O-CA 2.96Å; D70-S75 PolarHBondContact N-O 3.22Å; D70-S75 PolarHBondContact O-N 3.1Å; D70-S75 VanDerWaalsContact O-N 3.11Å; T73-S75 PolarHBondContact O-N 2.66Å; T73-S75 PolarHBondContact OG1-OG 2.89Å
76	I	59.1	Low	61.6	Low	7 Å²	7	50.9 Å²	50.9	4%	0.036	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	124.4	175.8	-61.2	176.4	0	0	0	108.7	S6 Y7 I9 A12 V14 V67 L68 A69 V78	S6-I76 CarbonylContact C-O 3.58Å; S6-I76 WeakPolarHBondContact CA-O 3.48Å; Y7-I76 PolarHBondContact N-O 2.72Å; Y7-I76 PolarHBondContact O-N 2.69Å; I9-I76 HydrophobicContact CG1-CD1 4.05Å; I9-I76 HydrophobicContact CG1-CG1 3.9Å; A12-I76 HydrophobicContact CB-CD1 4.35Å; V14-I76 HydrophobicContact CB-CD1 4.21Å; V14-I76 HydrophobicContact CG2-CD1 3.26Å; V67-I76 HydrophobicContact CG1-CG2 3.3Å; L68-I76 CarbonylContact O-C 3.59Å; L68-I76 WeakPolarHBondContact O-CA 3.11Å; A69-I76 HydrophobicContact CB-CG1 4.34Å; I76-V78 HydrophobicContact CG2-CG2 4.25Å
77	T	62.5	Low	61.2	Low	41 Å²	41	47 Å²	47	25%	0.252	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125	176.5	-58.6	0	0	0	0	109.4	V4 V67 L68	V4-T77 HydrophobicContact CG1-CG2 3.03Å; V67-T77 CarbonylContact C-O 3.58Å; V67-T77 WeakPolarHBondContact CA-O 3.31Å; L68-T77 PolarHBondContact N-O 3.42Å; L68-T77 PolarHBondContact O-N 3.49Å
78	V	63.7	Low	61.3	Low	4 Å²	4	46.6 Å²	46.6	2%	0.024	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.2	177.5	-171.7	0	0	0	0	108.4	K5 Y7 L32 F65 K66 I76	K5-V78 PolarHBondContact N-O 3.44Å; K5-V78 PolarHBondContact O-N 2.84Å; Y7-V78 HydrophobicContact CD2-CG2 3.99Å; Y7-V78 HydrophobicContact CE2-CB 4.34Å; Y7-V78 HydrophobicContact CE2-CG2 4.03Å; L32-V78 HydrophobicContact CD1-CG2 4.22Å; F65-V78 HydrophobicContact CB-CG1 3.72Å; F65-V78 HydrophobicContact CD1-CG1 3.82Å; F65-V78 HydrophobicContact CG-CG1 4.04Å; K66-V78 WeakPolarHBondContact O-CA 2.81Å; I76-V78 HydrophobicContact CG2-CG2 4.25Å
79	S	65.8	Low	61.1	Low	28 Å²	28	49.2 Å²	49.2	20%	0.196	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-65.5	173.6	174	74.8	0	0	0	0	111.3	F65 K66	F65-S79 WeakPolarHBondContact CD1-O 3.22Å; K66-S79 PolarHBondContact N-OG 3.16Å; K66-S79 PolarHBondContact O-N 3.48Å
80	D	64.3	Low	61.3	Low	43 Å²	43	55 Å²	55	23%	0.23	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-62.5	158.8	164.8	-69.9	-35	0	0	0	111.3	L2 S3 I82	L2-D80 VanDerWaalsContact C-OD2 3.25Å; L2-D80 WeakPolarHBondContact CA-OD2 3.32Å; L2-D80 WeakPolarHBondContact CB-OD2 2.93Å; L2-D80 HydrophobicContact CD2-CB 3.8Å; L2-D80 WeakPolarHBondContact CD2-OD2 3.22Å; S3-D80 WeakPolarHBondContact CA-OD1 3.28Å; S3-D80 WeakPolarHBondContact CB-OD1 3.39Å; S3-D80 VanDerWaalsContact N-CG 3.28Å; S3-D80 PolarHBondContact N-OD1 3.17Å; S3-D80 VanDerWaalsContact N-OD1 3.14Å; S3-D80 PolarHBondContact N-OD2 3.14Å; S3-D80 PolarHBondContact OG-OD1 3.08Å; D80-I82 PolarHBondContact O-N 2.72Å
81	Q	65	Low	61.5	Low	88 Å²	88	53.2 Å²	53.2	41%	0.411	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-62.4	122.8	174.8	-173.2	173	-22.6	0	0	110.8	H63 F65	H63-Q81 HydrophobicContact CB-CG 3.76Å; H63-Q81 PolarHBondContact CD2-NE2 3.39Å; H63-Q81 PolarHBondContact CE1-NE2 3.49Å; H63-Q81 PolarHBondContact ND1-NE2 3.01Å; H63-Q81 PolarHBondContact NE2-NE2 2.83Å; H63-Q81 VanDerWaalsContact NE2-NE2 3.13Å; F65-Q81 HydrophobicContact CD1-CB 4.24Å; F65-Q81 HydrophobicContact CE1-CB 3.37Å; F65-Q81 HydrophobicContact CE1-CG 3.91Å; F65-Q81 HydrophobicContact CE2-CG 4.17Å; F65-Q81 HydrophobicContact CZ-CB 3.52Å; F65-Q81 HydrophobicContact CZ-CG 3.48Å; F65-Q81 VanDerWaalsContact CZ-CG 3.48Å
82	I	64.7	Low	62.2	Low	38 Å²	38	48 Å²	48	20%	0.195	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	110.9	174.3	-53.2	172.1	0	0	0	108	H63 Y64 D80 I84	H63-I82 CarbonylContact C-O 3.45Å; H63-I82 WeakPolarHBondContact CA-O 2.91Å; Y64-I82 HydrophobicContact CD1-CB 4.09Å; Y64-I82 HydrophobicContact CD1-CG2 4.24Å; Y64-I82 WeakPolarHBondContact CD1-O 3.41Å; Y64-I82 HydrophobicContact CD2-CB 4.39Å; Y64-I82 HydrophobicContact CD2-CD1 4.44Å; Y64-I82 HydrophobicContact CE1-CB 3.71Å; Y64-I82 HydrophobicContact CE1-CG2 3.45Å; Y64-I82 VanDerWaalsContact CE1-CG2 3.45Å; Y64-I82 HydrophobicContact CE2-CB 4.08Å; Y64-I82 HydrophobicContact CE2-CD1 3.67Å; Y64-I82 HydrophobicContact CE2-CG1 4.41Å; Y64-I82 HydrophobicContact CE2-CG2 4.39Å; Y64-I82 HydrophobicContact CG-CB 4.44Å; Y64-I82 PolarHBondContact N-O 2.87Å; Y64-I82 PolarHBondContact O-N 3.27Å; D80-I82 PolarHBondContact O-N 2.72Å; I82-I84 PolarHBondContact O-N 2.79Å
83	P	60.2	Low	62.7	Low	39 Å²	39	43.4 Å²	43.4	25%	0.253	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	133.4	179	26	-33.5	0	0	0	111	H63 P131	H63-P83 VanDerWaalsContact ND1-CA 3.31Å; H63-P83 WeakPolarHBondContact ND1-CA 3.48Å; P83-P131 HydrophobicContact CG-CB 3.6Å; P83-P131 HydrophobicContact CG-CG 4.09Å
84	I	61.9	Low	62.8	Low	5 Å²	5	39.3 Å²	39.3	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	132.5	160.8	-54.6	-175.3	0	0	0	105.4	F54 V62 Y64 I82 I86 L123 L178	F54-I84 HydrophobicContact CD1-CD1 3.46Å; F54-I84 VanDerWaalsContact CD1-CD1 3.46Å; F54-I84 HydrophobicContact CE1-CD1 3.42Å; F54-I84 VanDerWaalsContact CE1-CD1 3.42Å; V62-I84 HydrophobicContact CB-CB 4.26Å; V62-I84 HydrophobicContact CB-CD1 4.4Å; V62-I84 HydrophobicContact CG1-CD1 3.72Å; V62-I84 HydrophobicContact CG1-CG1 4.38Å; V62-I84 WeakPolarHBondContact O-CA 3.47Å; V62-I84 VanDerWaalsContact O-CB 3.26Å; V62-I84 WeakPolarHBondContact O-CB 3.27Å; V62-I84 PolarHBondContact O-N 3.04Å; Y64-I84 HydrophobicContact CD1-CD1 4.23Å; Y64-I84 HydrophobicContact CD1-CG1 3.73Å; Y64-I84 HydrophobicContact CE1-CG1 4.47Å; I82-I84 PolarHBondContact O-N 2.79Å; I84-I86 HydrophobicContact CG2-CD1 3.73Å; I84-I86 HydrophobicContact CG2-CG1 4.13Å; I84-I86 PolarHBondContact O-N 2.81Å; I84-L123 HydrophobicContact CD1-CD1 4.49Å; I84-L178 HydrophobicContact CG2-CD2 4.48Å
85	K	60.3	Low	63.2	Low	23 Å²	23	33.3 Å²	33.3	10%	0.1	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	51.6	-172.2	-68.5	-179.8	164	-175.8	0	112.8	V133 T135 L178	K85-V133 WeakPolarHBondContact CB-O 3.48Å; K85-V133 HydrophobicContact CD-CB 4.43Å; K85-V133 WeakPolarHBondContact CD-O 3.39Å; K85-V133 WeakPolarHBondContact CG-O 3.21Å; K85-T135 WeakPolarHBondContact O-CA 3.26Å; K85-T135 WeakPolarHBondContact O-CB 3.41Å; K85-T135 PolarHBondContact O-N 2.86Å; K85-T135 PolarHBondContact O-OG1 2.8Å; K85-L178 HydrophobicContact CB-CD1 4Å
86	I	59	Low	63.5	Low	6 Å²	6	32.4 Å²	32.4	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	122.6	-174.6	-63	167.5	0	0	0	109	I84 L88 L121 T135 I137 L178 Y180	I84-I86 HydrophobicContact CG2-CD1 3.73Å; I84-I86 HydrophobicContact CG2-CG1 4.13Å; I84-I86 PolarHBondContact O-N 2.81Å; I86-L88 HydrophobicContact CG2-CD2 3.99Å; I86-L88 HydrophobicContact CG2-CG 3.87Å; I86-L121 HydrophobicContact CD1-CB 4.45Å; I86-L121 HydrophobicContact CD1-CD1 3.02Å; I86-L121 HydrophobicContact CD1-CD2 3.25Å; I86-L121 HydrophobicContact CD1-CG 3.63Å; I86-L121 HydrophobicContact CG1-CD2 4.44Å; I86-T135 WeakPolarHBondContact CA-O 3.43Å; I86-I137 HydrophobicContact CD1-CD1 4.42Å; I86-I137 HydrophobicContact CG1-CD1 4.37Å; I86-I137 HydrophobicContact CG2-CD1 3.67Å; I86-I137 HydrophobicContact CG2-CG1 4.14Å; I86-L178 HydrophobicContact CD1-CD2 4.19Å; I86-Y180 HydrophobicContact CD1-CE1 4.36Å; I86-Y180 HydrophobicContact CG1-CE1 4.41Å
87	D	60.1	Low	63.7	Low	9 Å²	9	32.3 Å²	32.3	5%	0.048	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	98.9	176.4	-174.9	4	0	0	0	108.5	K89 T135 R136	D87-K89 VanDerWaalsContact C-N 3.29Å; D87-K89 WeakPolarHBondContact OD1-CA 3.37Å; D87-K89 WeakPolarHBondContact OD1-CB 3.46Å; D87-K89 VanDerWaalsContact OD1-CD 3.27Å; D87-K89 WeakPolarHBondContact OD1-CD 3.34Å; D87-K89 WeakPolarHBondContact OD1-CE 3.47Å; D87-K89 WeakPolarHBondContact OD1-CG 3.31Å; D87-K89 PolarHBondContact OD1-N 2.95Å; D87-K89 IonicContact OD1-NZ 3.98Å; D87-K89 WeakPolarHBondContact OD2-CD 3.2Å; D87-K89 WeakPolarHBondContact OD2-CE 3.2Å; D87-K89 IonicContact OD2-NZ 2.71Å; D87-K89 PolarHBondContact OD2-NZ 3.12Å; D87-T135 PolarHBondContact N-O 2.75Å; D87-R136 HydrophobicContact CB-CG 4.31Å
88	L	64.6	Low	63.6	Low	4 Å²	4	31.3 Å²	31.3	2%	0.021	16%	0.158	C	C	.	.			trans	-89.2	7.8	172.3	-56.8	172.3	0	0	0	111.9	G60 I86 Q90 Y91 V93 V110 T112 I137 L142	G60-L88 WeakPolarHBondContact O-CA 3.06Å; G60-L88 WeakPolarHBondContact O-CB 3.01Å; G60-L88 PolarHBondContact O-N 2.86Å; I86-L88 HydrophobicContact CG2-CD2 3.99Å; I86-L88 HydrophobicContact CG2-CG 3.87Å; L88-Q90 CarbonylContact O-C 3.5Å; L88-Q90 PolarHBondContact O-N 3.08Å; L88-Y91 WeakPolarHBondContact O-CD2 3.4Å; L88-Y91 PolarHBondContact O-N 3.4Å; L88-V93 HydrophobicContact CD1-CG2 4.18Å; L88-V110 HydrophobicContact CD1-CG1 3.78Å; L88-T112 HydrophobicContact CD1-CG2 3.84Å; L88-I137 HydrophobicContact CD2-CB 3.92Å; L88-I137 HydrophobicContact CD2-CD1 4.26Å; L88-I137 HydrophobicContact CD2-CG1 4.44Å; L88-I137 HydrophobicContact CD2-CG2 4.49Å; L88-L142 HydrophobicContact CD2-CD2 4.13Å
89	K	61	Low	63.3	Low	121 Å²	121	36 Å²	36	53%	0.526	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-6.1	-43.4	-171.2	-112.5	164.8	-152.5	152.4	0	120.6	N59 D87 Y91	N59-K89 VanDerWaalsContact O-CA 3.31Å; N59-K89 WeakPolarHBondContact O-CA 3.31Å; D87-K89 VanDerWaalsContact C-N 3.29Å; D87-K89 WeakPolarHBondContact OD1-CA 3.37Å; D87-K89 WeakPolarHBondContact OD1-CB 3.46Å; D87-K89 VanDerWaalsContact OD1-CD 3.27Å; D87-K89 WeakPolarHBondContact OD1-CD 3.34Å; D87-K89 WeakPolarHBondContact OD1-CE 3.47Å; D87-K89 WeakPolarHBondContact OD1-CG 3.31Å; D87-K89 PolarHBondContact OD1-N 2.95Å; D87-K89 IonicContact OD1-NZ 3.98Å; D87-K89 WeakPolarHBondContact OD2-CD 3.2Å; D87-K89 WeakPolarHBondContact OD2-CE 3.2Å; D87-K89 IonicContact OD2-NZ 2.71Å; D87-K89 PolarHBondContact OD2-NZ 3.12Å; K89-Y91 VanDerWaalsContact C-N 3.34Å
90	Q	64.7	Low	62.8	Low	150 Å²	150	39.3 Å²	39.3	70%	0.701	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.6	178.5	-60.6	179.6	6.1	0	0	113.6	L88	L88-Q90 CarbonylContact O-C 3.5Å; L88-Q90 PolarHBondContact O-N 3.08Å
91	Y	67.3	Low	62.5	Low	30 Å²	30	40 Å²	40	12%	0.118	19%	0.187	C	C	.	.	S	Bend	trans	-130	100.2	-168.6	-54.5	-64.7	0	0	0	110.6	G60 L88 K89 V93 V114 Y139 L142	G60-Y91 VanDerWaalsContact CA-O 3.24Å; G60-Y91 WeakPolarHBondContact CA-O 3.49Å; L88-Y91 WeakPolarHBondContact O-CD2 3.4Å; L88-Y91 PolarHBondContact O-N 3.4Å; K89-Y91 VanDerWaalsContact C-N 3.34Å; Y91-V93 PolarHBondContact O-N 2.72Å; Y91-V114 HydrophobicContact CD1-CB 3.84Å; Y91-V114 HydrophobicContact CD1-CG2 3.78Å; Y91-V114 HydrophobicContact CE1-CB 4.15Å; Y91-V114 HydrophobicContact CE1-CG1 4.42Å; Y91-V114 HydrophobicContact CE1-CG2 4.19Å; Y91-Y139 HydrophobicContact CD1-CD2 4.08Å; Y91-Y139 HydrophobicContact CD1-CE2 4.1Å; Y91-Y139 HydrophobicContact CD2-CD2 4.29Å; Y91-Y139 AromaticContact CE1-CD2 3.3Å; Y91-Y139 HydrophobicContact CE1-CD2 3.3Å; Y91-Y139 AromaticContact CE1-CE2 3.43Å; Y91-Y139 HydrophobicContact CE1-CE2 3.43Å; Y91-Y139 VanDerWaalsContact CE1-CE2 3.43Å; Y91-Y139 HydrophobicContact CE1-CG 4.24Å; Y91-Y139 AromaticContact CE2-CD2 3.56Å; Y91-Y139 HydrophobicContact CE2-CD2 3.56Å; Y91-Y139 HydrophobicContact CE2-CE2 4.48Å; Y91-Y139 HydrophobicContact CE2-CG 4.14Å; Y91-Y139 AromaticContact CZ-CD2 3.03Å; Y91-Y139 AromaticContact CZ-CE2 3.7Å; Y91-Y139 AromaticContact CZ-CG 3.63Å; Y91-Y139 VanDerWaalsContact OH-CB 3.28Å; Y91-Y139 WeakPolarHBondContact OH-CB 3.5Å; Y91-Y139 WeakPolarHBondContact OH-CD2 3.45Å; Y91-Y139 VanDerWaalsContact OH-CG 3.23Å; Y91-L142 HydrophobicContact CD2-CD1 3.93Å; Y91-L142 HydrophobicContact CE2-CD1 4.36Å; Y91-L142 HydrophobicContact CG-CD1 4.23Å
92	P	69.9	Low	62	Low	39 Å²	39	37.3 Å²	37.3	25%	0.253	18%	0.182	S	C	.	.			trans	-55	133.8	176.3	-25.5	33.2	0	0	0	111.5	P58 T94 T112 A113	P58-P92 VanDerWaalsContact O-CA 3.28Å; P58-P92 WeakPolarHBondContact O-CA 3.41Å; P58-P92 WeakPolarHBondContact O-CB 3.48Å; P58-P92 WeakPolarHBondContact O-CG 3.11Å; P92-T94 PolarHBondContact O-N 2.61Å; P92-T112 CarbonylContact O-C 3.59Å; P92-T112 WeakPolarHBondContact O-CA 3.44Å; P92-A113 HydrophobicContact CB-CB 4.12Å; P92-A113 HydrophobicContact CG-CB 4.27Å; P92-A113 PolarHBondContact O-N 3.11Å
93	V	69.5	Low	61.6	Low	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	124	172.2	-177.8	0	0	0	0	108.5	T57 V62 L88 Y91 L96 V110	T57-V93 PolarHBondContact O-N 3.23Å; T57-V93 VanDerWaalsContact O-N 3.12Å; V62-V93 HydrophobicContact CG2-CG2 4.05Å; L88-V93 HydrophobicContact CD1-CG2 4.18Å; Y91-V93 PolarHBondContact O-N 2.72Å; V93-L96 HydrophobicContact CG1-CD2 4.14Å; V93-L96 HydrophobicContact CG1-CG 4.07Å; V93-V110 HydrophobicContact CB-CG1 4.39Å; V93-V110 HydrophobicContact CG1-CG1 3.72Å; V93-V110 HydrophobicContact CG2-CG1 3.83Å
94	T	63.7	Low	61.4	Low	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-33.7	177.5	50	0	0	0	0	112	P92 A111 T112 A113 L116 V204 T208	P92-T94 PolarHBondContact O-N 2.61Å; T94-A111 PolarHBondContact N-O 2.76Å; T94-A111 PolarHBondContact OG1-O 3.37Å; T94-A111 VanDerWaalsContact OG1-O 3.11Å; T94-T112 PolarHBondContact OG1-O 2.84Å; T94-A113 VanDerWaalsContact CG2-CA 3.46Å; T94-A113 HydrophobicContact CG2-CB 3.6Å; T94-L116 WeakPolarHBondContact OG1-CD1 3.24Å; T94-V204 VanDerWaalsContact O-CB 3.24Å; T94-V204 WeakPolarHBondContact O-CB 3.48Å; T94-V204 WeakPolarHBondContact O-CG1 3.18Å; T94-T208 HydrophobicContact CG2-CG2 4.38Å
95	A	62.5	Low	61.2	Low	1 Å²	1	51.2 Å²	51.2	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	153.4	-180	0	0	0	0	0	112.5	S38 A111 L201 V204	S38-A95 VanDerWaalsContact CB-CA 3.4Å; A95-A111 HydrophobicContact CB-CB 4.08Å; A95-A111 PolarHBondContact N-O 2.85Å; A95-A111 PolarHBondContact O-N 2.98Å; A95-L201 HydrophobicContact CB-CB 4.27Å; A95-L201 HydrophobicContact CB-CD2 3.72Å; A95-L201 WeakPolarHBondContact CB-O 3.48Å; A95-V204 HydrophobicContact CB-CB 4.18Å; A95-V204 HydrophobicContact CB-CG2 4.21Å
96	L	64.3	Low	61.3	Low	5 Å²	5	50.2 Å²	50.2	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.7	173.1	-69.6	171.8	0	0	0	109.4	S38 T40 F54 G56 V62 V93 V108 Y109 V110	S38-L96 WeakPolarHBondContact OG-CG 3.2Å; S38-L96 PolarHBondContact OG-N 3.13Å; T40-L96 PolarHBondContact OG1-O 3.09Å; F54-L96 HydrophobicContact CB-CD1 4.25Å; G56-L96 VanDerWaalsContact N-CD1 3.3Å; V62-L96 HydrophobicContact CG1-CD1 4.09Å; V62-L96 HydrophobicContact CG1-CD2 3.98Å; V62-L96 HydrophobicContact CG2-CD2 4.34Å; V93-L96 HydrophobicContact CG1-CD2 4.14Å; V93-L96 HydrophobicContact CG1-CG 4.07Å; L96-V108 HydrophobicContact CD2-CG1 4.13Å; L96-Y109 CarbonylContact C-O 3.45Å; L96-Y109 VanDerWaalsContact CA-O 3.29Å; L96-Y109 WeakPolarHBondContact CA-O 3.03Å; L96-V110 HydrophobicContact CD2-CB 3.93Å; L96-V110 HydrophobicContact CD2-CG1 3.78Å; L96-V110 HydrophobicContact CD2-CG2 3.59Å
97	S	62	Low	61.5	Low	4 Å²	4	49.9 Å²	49.9	3%	0.028	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	141.2	164.4	-159.9	0	0	0	0	109.4	V108 Y109 D197	S97-V108 CarbonylContact O-C 3.54Å; S97-V108 WeakPolarHBondContact O-CA 3.41Å; S97-Y109 PolarHBondContact N-O 3.15Å; S97-Y109 PolarHBondContact O-N 3.37Å; S97-D197 WeakPolarHBondContact OG-CA 3.21Å; S97-D197 WeakPolarHBondContact OG-CB 2.95Å; S97-D197 PolarHBondContact OG-OD1 3.31Å
98	V	60.5	Low	61.8	Low	21 Å²	21	49.5 Å²	49.5	13%	0.127	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.6	-177.1	-174.5	0	0	0	0	109.3	T40 F54 C106 S107 V108	T40-V98 HydrophobicContact CG2-CB 4.08Å; T40-V98 HydrophobicContact CG2-CG2 4.01Å; F54-V98 HydrophobicContact CB-CG2 4Å; F54-V98 HydrophobicContact CD1-CG2 4.38Å; F54-V98 HydrophobicContact CD2-CB 4.42Å; F54-V98 HydrophobicContact CD2-CG1 4.2Å; F54-V98 HydrophobicContact CD2-CG2 3.64Å; F54-V98 HydrophobicContact CE2-CG1 3.87Å; F54-V98 HydrophobicContact CE2-CG2 4.13Å; F54-V98 HydrophobicContact CG-CG2 3.76Å; F54-V98 HydrophobicContact CZ-CG1 4.34Å; V98-C106 HydrophobicContact CG1-CB 4.39Å; V98-S107 CarbonylContact C-O 3.49Å; V98-S107 WeakPolarHBondContact CA-O 3.33Å; V98-V108 HydrophobicContact CG1-CG2 4.23Å; V98-V108 HydrophobicContact CG2-CG1 4.19Å; V98-V108 HydrophobicContact CG2-CG2 4.2Å
99	R	57.8	Low	61.9	Low	103 Å²	103	49.3 Å²	49.3	39%	0.389	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.1	-179.3	-172.4	172.7	-179.6	-177.9	0.5	111.3	C106 S107 Y109 W192	R99-C106 CarbonylContact O-C 3.56Å; R99-C106 VanDerWaalsContact O-CA 3.28Å; R99-C106 WeakPolarHBondContact O-CA 3.04Å; R99-S107 PolarHBondContact N-O 3.48Å; R99-S107 PolarHBondContact O-N 2.77Å; R99-Y109 HydrophobicContact CB-CE2 4.17Å; R99-W192 PolarHBondContact NH1-O 3.32Å
100	R	56	Low	62.4	Low	96 Å²	96	43.5 Å²	43.5	36%	0.362	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.9	173.9	-168.1	177.1	-172.1	175.1	8.2	110.9	G102 Q103	R100-G102 WeakPolarHBondContact CD-O 3.36Å; R100-G102 WeakPolarHBondContact CG-O 3.2Å; R100-G102 PolarHBondContact NE-O 3.02Å; R100-Q103 PolarHBondContact NH2-O 2.96Å
101	L	58.3	Low	62.6	Low	59 Å²	59	36.4 Å²	36.4	31%	0.309	17%	0.174	S	C	.	.			trans	-106.1	-15.5	174.7	-63.5	-179.9	0	0	0	113	K105 S107 E122 N191	L101-K105 HydrophobicContact CB-CB 4.18Å; L101-K105 PolarHBondContact N-O 2.74Å; L101-S107 WeakPolarHBondContact CD1-OG 3.33Å; L101-E122 HydrophobicContact CD1-CG 4.29Å; L101-N191 WeakPolarHBondContact CD1-ND2 3.37Å; L101-N191 HydrophobicContact CD2-CB 4.29Å
102	G	54.7	Low	62.7	Low	30 Å²	30	35 Å²	35	31%	0.309	17%	0.169	S	C	.	.	S	Bend	trans	-176.2	-168.8	179.8	0	0	0	0	0	111.5	R100 E104 K105	R100-G102 WeakPolarHBondContact CD-O 3.36Å; R100-G102 WeakPolarHBondContact CG-O 3.2Å; R100-G102 PolarHBondContact NE-O 3.02Å; G102-E104 PolarHBondContact O-N 3.02Å; G102-K105 PolarHBondContact N-O 3.32Å
103	Q	54.6	Low	62.4	Low	168 Å²	168	33.6 Å²	33.6	79%	0.785	16%	0.16	S	C	*	.	S	Bend	trans	-59.2	-48.1	-177.3	-85.8	-178	-25.7	0	0	112.7	R100	R100-Q103 PolarHBondContact NH2-O 2.96Å
104	E	56.3	Low	61.9	Low	105 Å²	105	36.4 Å²	36.4	49%	0.491	18%	0.178	S	C	.	.	S	Bend	trans	-105.1	-10.8	-177.6	-59.5	-177.3	135	0	0	113.3	G102 Q124 K125	G102-E104 PolarHBondContact O-N 3.02Å; E104-Q124 CarbonylContact C-O 3.54Å; E104-Q124 VanDerWaalsContact C-O 3.26Å; E104-Q124 CarbonylContact O-C 3.41Å; E104-K125 HydrophobicContact CB-CG 4.39Å; E104-K125 WeakPolarHBondContact OE1-CE 3.47Å; E104-K125 IonicContact OE1-NZ 3.78Å; E104-K125 PolarHBondContact OE1-NZ 2.98Å; E104-K125 WeakPolarHBondContact OE2-CE 3.4Å; E104-K125 IonicContact OE2-NZ 2.81Å; E104-K125 PolarHBondContact OE2-NZ 2.7Å
105	K	58.9	Low	61.5	Low	101 Å²	101	41.7 Å²	41.7	44%	0.439	20%	0.202	S	C	.	.			trans	-101.3	133.3	-171.5	-56.7	-167.9	176.6	178.4	0	113.3	L101 G102 L123	L101-K105 HydrophobicContact CB-CB 4.18Å; L101-K105 PolarHBondContact N-O 2.74Å; G102-K105 PolarHBondContact N-O 3.32Å; K105-L123 VanDerWaalsContact CA-O 3.31Å; K105-L123 WeakPolarHBondContact CA-O 3.25Å
106	C	60.7	Low	61.4	Low	2 Å²	2	41.7 Å²	41.7	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154	171	67.6	0	0	0	0	112.8	V98 R99 E122 L123	V98-C106 HydrophobicContact CG1-CB 4.39Å; R99-C106 CarbonylContact O-C 3.56Å; R99-C106 VanDerWaalsContact O-CA 3.28Å; R99-C106 WeakPolarHBondContact O-CA 3.04Å; C106-E122 CarbonylContact O-C 3.58Å; C106-E122 WeakPolarHBondContact O-CA 3.47Å; C106-L123 PolarHBondContact N-O 3.28Å; C106-L123 PolarHBondContact O-N 3.44Å
107	S	63.4	Low	61.5	Low	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.5	169	-67.6	0	0	0	0	109.3	V98 R99 L101 Q120 L121	V98-S107 CarbonylContact C-O 3.49Å; V98-S107 WeakPolarHBondContact CA-O 3.33Å; R99-S107 PolarHBondContact N-O 3.48Å; R99-S107 PolarHBondContact O-N 2.77Å; L101-S107 WeakPolarHBondContact CD1-OG 3.33Å; S107-Q120 PolarHBondContact OG-NE2 3.03Å; S107-L121 CarbonylContact C-O 3.36Å; S107-L121 WeakPolarHBondContact CA-O 3.39Å
108	V	66.5	Low	61.7	Low	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.8	171.6	-176.6	0	0	0	0	107.9	F54 L96 S97 V98 V110 L121 L123	F54-V108 HydrophobicContact CD1-CG1 4.27Å; F54-V108 HydrophobicContact CD1-CG2 3.9Å; F54-V108 HydrophobicContact CE1-CG2 3.46Å; F54-V108 VanDerWaalsContact CE1-CG2 3.46Å; F54-V108 HydrophobicContact CZ-CG2 3.88Å; L96-V108 HydrophobicContact CD2-CG1 4.13Å; S97-V108 CarbonylContact O-C 3.54Å; S97-V108 WeakPolarHBondContact O-CA 3.41Å; V98-V108 HydrophobicContact CG1-CG2 4.23Å; V98-V108 HydrophobicContact CG2-CG1 4.19Å; V98-V108 HydrophobicContact CG2-CG2 4.2Å; V108-V110 HydrophobicContact CG1-CG2 4.1Å; V108-L121 HydrophobicContact CB-CB 4.17Å; V108-L121 HydrophobicContact CB-CD1 4.1Å; V108-L121 HydrophobicContact CG1-CD1 4.23Å; V108-L121 PolarHBondContact N-O 3Å; V108-L121 WeakPolarHBondContact O-CB 3.26Å; V108-L121 WeakPolarHBondContact O-CG 3.31Å; V108-L121 PolarHBondContact O-N 2.81Å; V108-L123 HydrophobicContact CG2-CD1 3.88Å; V108-L123 HydrophobicContact CG2-CG 4.4Å
109	Y	68.4	Low	62	Low	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.1	172.7	-58.6	-87.1	0	0	0	108.6	L96 S97 R99 I118 V119 Q120 F163 N191 I193	L96-Y109 CarbonylContact C-O 3.45Å; L96-Y109 VanDerWaalsContact CA-O 3.29Å; L96-Y109 WeakPolarHBondContact CA-O 3.03Å; S97-Y109 PolarHBondContact N-O 3.15Å; S97-Y109 PolarHBondContact O-N 3.37Å; R99-Y109 HydrophobicContact CB-CE2 4.17Å; Y109-I118 HydrophobicContact CD1-CG2 4.3Å; Y109-V119 CarbonylContact C-O 3.56Å; Y109-V119 WeakPolarHBondContact CA-O 3.29Å; Y109-Q120 HydrophobicContact CD1-CB 3.77Å; Y109-Q120 HydrophobicContact CD1-CG 3.9Å; Y109-Q120 HydrophobicContact CE1-CB 3.7Å; Y109-Q120 HydrophobicContact CE1-CG 3.5Å; Y109-Q120 PolarHBondContact OH-OE1 2.92Å; Y109-F163 HydrophobicContact CE1-CE1 4.28Å; Y109-F163 AromaticContact CE1-CZ 3.88Å; Y109-F163 HydrophobicContact CE1-CZ 3.88Å; Y109-N191 PolarHBondContact OH-O 3.04Å; Y109-I193 HydrophobicContact CD1-CB 4.49Å; Y109-I193 HydrophobicContact CD1-CD1 4.06Å; Y109-I193 HydrophobicContact CD1-CG1 4.21Å; Y109-I193 HydrophobicContact CE1-CB 4.03Å; Y109-I193 HydrophobicContact CE1-CD1 4.46Å; Y109-I193 HydrophobicContact CE1-CG1 4.15Å; Y109-I193 HydrophobicContact CG-CD1 4.37Å
110	V	69.8	Low	62.4	Low	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.9	179.6	-170.1	0	0	0	0	108.5	V62 L88 V93 L96 V108 I118 V119 L121	V62-V110 HydrophobicContact CG2-CG1 3.92Å; V62-V110 HydrophobicContact CG2-CG2 3.99Å; L88-V110 HydrophobicContact CD1-CG1 3.78Å; V93-V110 HydrophobicContact CB-CG1 4.39Å; V93-V110 HydrophobicContact CG1-CG1 3.72Å; V93-V110 HydrophobicContact CG2-CG1 3.83Å; L96-V110 HydrophobicContact CD2-CB 3.93Å; L96-V110 HydrophobicContact CD2-CG1 3.78Å; L96-V110 HydrophobicContact CD2-CG2 3.59Å; V108-V110 HydrophobicContact CG1-CG2 4.1Å; V110-I118 CarbonylContact O-C 3.51Å; V110-I118 VanDerWaalsContact O-CA 3.26Å; V110-I118 WeakPolarHBondContact O-CA 3.28Å; V110-V119 HydrophobicContact CB-CG1 3.78Å; V110-V119 HydrophobicContact CG2-CG1 4.19Å; V110-V119 PolarHBondContact N-O 3.19Å; V110-V119 PolarHBondContact O-N 3.3Å; V110-L121 HydrophobicContact CG2-CD1 3.54Å; V110-L121 HydrophobicContact CG2-CG 4.28Å
111	A	68.6	Low	62.7	Low	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	141.1	173.9	0	0	0	0	0	110.7	T94 A95 L116 R117 I118 L201	T94-A111 PolarHBondContact N-O 2.76Å; T94-A111 PolarHBondContact OG1-O 3.37Å; T94-A111 VanDerWaalsContact OG1-O 3.11Å; A95-A111 HydrophobicContact CB-CB 4.08Å; A95-A111 PolarHBondContact N-O 2.85Å; A95-A111 PolarHBondContact O-N 2.98Å; A111-L116 HydrophobicContact CB-CD1 3.62Å; A111-L116 HydrophobicContact CB-CG 4.28Å; A111-R117 WeakPolarHBondContact CA-O 3.24Å; A111-I118 HydrophobicContact CB-CG1 4.31Å; A111-L201 HydrophobicContact CB-CB 4.18Å; A111-L201 HydrophobicContact CB-CD1 4.44Å; A111-L201 HydrophobicContact CB-CD2 3.93Å; A111-L201 HydrophobicContact CB-CG 4.39Å
112	T	71.1	Confident	62.7	Low	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	162.9	-176.4	61.8	0	0	0	0	113.5	L88 P92 T94 L116 R117 L142	L88-T112 HydrophobicContact CD1-CG2 3.84Å; P92-T112 CarbonylContact O-C 3.59Å; P92-T112 WeakPolarHBondContact O-CA 3.44Å; T94-T112 PolarHBondContact OG1-O 2.84Å; T112-L116 VanDerWaalsContact O-CA 3.31Å; T112-L116 WeakPolarHBondContact O-CA 3.31Å; T112-L116 WeakPolarHBondContact O-CD1 3.1Å; T112-R117 PolarHBondContact N-O 3Å; T112-R117 PolarHBondContact OG1-N 3.23Å; T112-R117 PolarHBondContact OG1-O 3.34Å; T112-L142 HydrophobicContact CG2-CD1 4.43Å
113	A	62	Low	62.9	Low	10 Å²	10	29.9 Å²	29.9	8%	0.083	14%	0.143	C	C	.	.	S	Bend	trans	-68.8	-37.8	-178.4	0	0	0	0	0	113.9	P92 T94 E115	P92-A113 HydrophobicContact CB-CB 4.12Å; P92-A113 HydrophobicContact CG-CB 4.27Å; P92-A113 PolarHBondContact O-N 3.11Å; T94-A113 VanDerWaalsContact CG2-CA 3.46Å; T94-A113 HydrophobicContact CG2-CB 3.6Å; A113-E115 PolarHBondContact O-N 2.85Å
114	V	59.3	Low	63	Low	60 Å²	60	24.9 Å²	24.9	36%	0.364	12%	0.119	S	C	.	.	S	Bend	trans	-80.7	116.9	-173.6	-175.1	0	0	0	0	110	Y91 L116 Y139	Y91-V114 HydrophobicContact CD1-CB 3.84Å; Y91-V114 HydrophobicContact CD1-CG2 3.78Å; Y91-V114 HydrophobicContact CE1-CB 4.15Å; Y91-V114 HydrophobicContact CE1-CG1 4.42Å; Y91-V114 HydrophobicContact CE1-CG2 4.19Å; V114-L116 PolarHBondContact O-N 3.33Å; V114-Y139 HydrophobicContact CG1-CE2 4.35Å
115	E	56.4	Low	63.1	Low	111 Å²	111	24.9 Å²	24.9	52%	0.519	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	12.6	-178.3	-59.7	-174.9	156.3	0	0	115.6	A113 R117 Y139	A113-E115 PolarHBondContact O-N 2.85Å; E115-R117 HydrophobicContact CB-CG 4.27Å; E115-R117 IonicContact OE2-CZ 2.69Å; E115-R117 IonicContact OE2-NE 2.84Å; E115-R117 PolarHBondContact OE2-NE 2.89Å; E115-R117 IonicContact OE2-NH2 3.31Å; E115-R117 PolarHBondContact OE2-NH2 3.49Å; E115-Y139 VanDerWaalsContact CD-OH 3.23Å; E115-Y139 PolarHBondContact OE2-OH 2.79Å
116	L	60.2	Low	63.1	Low	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	39.3	70.9	-167	-161.8	67	0	0	0	112.6	T94 A111 T112 V114 I145 L202 W205	T94-L116 WeakPolarHBondContact OG1-CD1 3.24Å; A111-L116 HydrophobicContact CB-CD1 3.62Å; A111-L116 HydrophobicContact CB-CG 4.28Å; T112-L116 VanDerWaalsContact O-CA 3.31Å; T112-L116 WeakPolarHBondContact O-CA 3.31Å; T112-L116 WeakPolarHBondContact O-CD1 3.1Å; V114-L116 PolarHBondContact O-N 3.33Å; L116-I145 HydrophobicContact CB-CB 4.24Å; L116-I145 HydrophobicContact CB-CG2 3.82Å; L116-I145 HydrophobicContact CD2-CB 4Å; L116-I145 HydrophobicContact CD2-CD1 3.28Å; L116-I145 HydrophobicContact CD2-CG1 4.21Å; L116-I145 HydrophobicContact CD2-CG2 3.81Å; L116-I145 HydrophobicContact CG-CB 4.12Å; L116-I145 HydrophobicContact CG-CD1 4.03Å; L116-I145 HydrophobicContact CG-CG2 4.09Å; L116-I145 VanDerWaalsContact O-CB 3.23Å; L116-I145 WeakPolarHBondContact O-CB 3.22Å; L116-I145 PolarHBondContact O-N 3.38Å; L116-L202 HydrophobicContact CD2-CD2 3.68Å; L116-L202 HydrophobicContact CD2-CG 4.41Å; L116-W205 HydrophobicContact CB-CD2 3.84Å; L116-W205 HydrophobicContact CB-CG 3.94Å; L116-W205 HydrophobicContact CB-CZ2 3.9Å; L116-W205 HydrophobicContact CD1-CB 3.49Å; L116-W205 VanDerWaalsContact CD1-CB 3.49Å; L116-W205 HydrophobicContact CD1-CD2 4.22Å; L116-W205 HydrophobicContact CD1-CG 3.46Å; L116-W205 VanDerWaalsContact CD1-CG 3.46Å; L116-W205 HydrophobicContact CD2-CB 3.55Å; L116-W205 HydrophobicContact CD2-CD2 3.5Å; L116-W205 VanDerWaalsContact CD2-CD2 3.5Å; L116-W205 HydrophobicContact CD2-CE3 3.68Å; L116-W205 HydrophobicContact CD2-CG 3.48Å; L116-W205 VanDerWaalsContact CD2-CG 3.48Å; L116-W205 HydrophobicContact CD2-CZ3 4.35Å; L116-W205 HydrophobicContact CG-CB 4.12Å; L116-W205 HydrophobicContact CG-CD2 4.04Å; L116-W205 HydrophobicContact CG-CG 3.81Å
117	R	65.9	Low	63	Low	36 Å²	36	22.2 Å²	22.2	14%	0.136	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	141.1	173.6	-54.8	-167.2	170	-158.7	0.1	110.8	A111 T112 E115 Y139 L142 V143 P144	A111-R117 WeakPolarHBondContact CA-O 3.24Å; T112-R117 PolarHBondContact N-O 3Å; T112-R117 PolarHBondContact OG1-N 3.23Å; T112-R117 PolarHBondContact OG1-O 3.34Å; E115-R117 HydrophobicContact CB-CG 4.27Å; E115-R117 IonicContact OE2-CZ 2.69Å; E115-R117 IonicContact OE2-NE 2.84Å; E115-R117 PolarHBondContact OE2-NE 2.89Å; E115-R117 IonicContact OE2-NH2 3.31Å; E115-R117 PolarHBondContact OE2-NH2 3.49Å; R117-Y139 HydrophobicContact CG-CE2 4.47Å; R117-Y139 PolarHBondContact NE-OH 3.27Å; R117-Y139 VanDerWaalsContact NE-OH 3.16Å; R117-Y139 PolarHBondContact NH1-O 3.34Å; R117-Y139 VanDerWaalsContact NH2-CE1 3.27Å; R117-Y139 PolarHBondContact NH2-OH 3.23Å; R117-L142 HydrophobicContact CB-CB 3.42Å; R117-L142 VanDerWaalsContact CB-CB 3.42Å; R117-L142 HydrophobicContact CB-CD1 4.26Å; R117-L142 HydrophobicContact CB-CG 4.45Å; R117-L142 HydrophobicContact CG-CB 4.13Å; R117-L142 PolarHBondContact NH1-O 2.9Å; R117-V143 CarbonylContact C-O 3.59Å; R117-V143 VanDerWaalsContact CA-O 3.23Å; R117-V143 WeakPolarHBondContact CA-O 3.15Å; R117-P144 HydrophobicContact CG-CG 4.41Å
118	I	66.2	Low	62.6	Low	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	139.4	178.6	-57.9	166	0	0	0	109.2	Y109 V110 A111 V143 I145 F148 I193 L198 L201	Y109-I118 HydrophobicContact CD1-CG2 4.3Å; V110-I118 CarbonylContact O-C 3.51Å; V110-I118 VanDerWaalsContact O-CA 3.26Å; V110-I118 WeakPolarHBondContact O-CA 3.28Å; A111-I118 HydrophobicContact CB-CG1 4.31Å; I118-V143 PolarHBondContact N-O 3.02Å; I118-V143 PolarHBondContact O-N 2.83Å; I118-V143 VanDerWaalsContact O-N 3.1Å; I118-I145 HydrophobicContact CD1-CB 4.18Å; I118-I145 HydrophobicContact CD1-CD1 3.56Å; I118-I145 HydrophobicContact CD1-CG1 3.62Å; I118-I145 HydrophobicContact CG1-CD1 4.23Å; I118-I145 HydrophobicContact CG1-CG1 4.43Å; I118-F148 HydrophobicContact CB-CE2 4.43Å; I118-F148 HydrophobicContact CD1-CD2 4.21Å; I118-F148 HydrophobicContact CD1-CE2 3.99Å; I118-F148 HydrophobicContact CD1-CZ 4.5Å; I118-I193 HydrophobicContact CD1-CD1 4.06Å; I118-L198 HydrophobicContact CD1-CD1 4.41Å; I118-L201 HydrophobicContact CD1-CD1 3.7Å; I118-L201 HydrophobicContact CG1-CD1 3.96Å; I118-L201 HydrophobicContact CG2-CD1 4.12Å
119	V	67.1	Low	61.7	Low	4 Å²	4	28.7 Å²	28.7	2%	0.024	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.2	161.2	62.4	0	0	0	0	109.8	Y109 V110 L121 I137 L142	Y109-V119 CarbonylContact C-O 3.56Å; Y109-V119 WeakPolarHBondContact CA-O 3.29Å; V110-V119 HydrophobicContact CB-CG1 3.78Å; V110-V119 HydrophobicContact CG2-CG1 4.19Å; V110-V119 PolarHBondContact N-O 3.19Å; V110-V119 PolarHBondContact O-N 3.3Å; V119-L121 HydrophobicContact CG1-CD2 4.33Å; V119-L121 HydrophobicContact CG2-CD2 3.93Å; V119-I137 HydrophobicContact CG1-CD1 4.36Å; V119-I137 HydrophobicContact CG2-CD1 3.9Å; V119-L142 HydrophobicContact CB-CD2 3.87Å; V119-L142 HydrophobicContact CG1-CD2 4.17Å
120	Q	65.2	Low	60.8	Low	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.8	169.9	-178.7	-173.4	-28.8	0	0	109.7	S107 Y109 E122 F163 C181 N191	S107-Q120 PolarHBondContact OG-NE2 3.03Å; Y109-Q120 HydrophobicContact CD1-CB 3.77Å; Y109-Q120 HydrophobicContact CD1-CG 3.9Å; Y109-Q120 HydrophobicContact CE1-CB 3.7Å; Y109-Q120 HydrophobicContact CE1-CG 3.5Å; Y109-Q120 PolarHBondContact OH-OE1 2.92Å; Q120-E122 HydrophobicContact CG-CG 4.49Å; Q120-E122 VanDerWaalsContact NE2-CG 3.25Å; Q120-E122 PolarHBondContact NE2-OE1 2.8Å; Q120-F163 HydrophobicContact CB-CD1 3.65Å; Q120-F163 HydrophobicContact CB-CE1 3.35Å; Q120-F163 HydrophobicContact CB-CZ 4.19Å; Q120-F163 HydrophobicContact CG-CD1 4.4Å; Q120-F163 HydrophobicContact CG-CE1 4.2Å; Q120-F163 VanDerWaalsContact OE1-CD1 3.25Å; Q120-F163 VanDerWaalsContact OE1-CD2 3.25Å; Q120-C181 HydrophobicContact CB-CB 4.33Å; Q120-C181 HydrophobicContact CG-CB 4.31Å; Q120-C181 PolarHBondContact O-N 2.58Å; Q120-N191 PolarHBondContact OE1-O 2.83Å
121	L	62.4	Low	59.5	Low	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.3	178.3	-46.1	167.7	0	0	0	107.7	I86 S107 V108 V110 V119 I137 L178 Y180	I86-L121 HydrophobicContact CD1-CB 4.45Å; I86-L121 HydrophobicContact CD1-CD1 3.02Å; I86-L121 HydrophobicContact CD1-CD2 3.25Å; I86-L121 HydrophobicContact CD1-CG 3.63Å; I86-L121 HydrophobicContact CG1-CD2 4.44Å; S107-L121 CarbonylContact C-O 3.36Å; S107-L121 WeakPolarHBondContact CA-O 3.39Å; V108-L121 HydrophobicContact CB-CB 4.17Å; V108-L121 HydrophobicContact CB-CD1 4.1Å; V108-L121 HydrophobicContact CG1-CD1 4.23Å; V108-L121 PolarHBondContact N-O 3Å; V108-L121 WeakPolarHBondContact O-CB 3.26Å; V108-L121 WeakPolarHBondContact O-CG 3.31Å; V108-L121 PolarHBondContact O-N 2.81Å; V110-L121 HydrophobicContact CG2-CD1 3.54Å; V110-L121 HydrophobicContact CG2-CG 4.28Å; V119-L121 HydrophobicContact CG1-CD2 4.33Å; V119-L121 HydrophobicContact CG2-CD2 3.93Å; L121-I137 HydrophobicContact CD2-CD1 4.1Å; L121-L178 HydrophobicContact CB-CD2 4.36Å; L121-Y180 HydrophobicContact CD2-CD1 3.83Å; L121-Y180 HydrophobicContact CD2-CE1 3.7Å
122	E	58.2	Low	58.2	Low	29 Å²	29	42.7 Å²	42.7	14%	0.136	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	108.2	172	-65.8	-168.6	167.4	0	0	109.3	L101 C106 Q120 I179 C181 N191	L101-E122 HydrophobicContact CD1-CG 4.29Å; C106-E122 CarbonylContact O-C 3.58Å; C106-E122 WeakPolarHBondContact O-CA 3.47Å; Q120-E122 HydrophobicContact CG-CG 4.49Å; Q120-E122 VanDerWaalsContact NE2-CG 3.25Å; Q120-E122 PolarHBondContact NE2-OE1 2.8Å; E122-I179 WeakPolarHBondContact CA-O 3.47Å; E122-I179 HydrophobicContact CB-CB 3.93Å; E122-I179 HydrophobicContact CB-CG2 4.2Å; E122-I179 WeakPolarHBondContact CB-O 3.09Å; E122-I179 PolarHBondContact N-O 3.16Å; E122-I179 PolarHBondContact O-N 3.4Å; E122-C181 HydrophobicContact CG-CB 4.2Å; E122-C181 PolarHBondContact OE1-SG 2.76Å; E122-C181 VanDerWaalsContact OE1-SG 3.41Å; E122-N191 PolarHBondContact OE1-ND2 2.88Å
123	L	59.3	Low	56.9	Low	2 Å²	2	45.6 Å²	45.6	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.8	174.6	-50.9	179.5	0	0	0	108.8	F54 I84 K105 C106 V108 L126 C177 L178	F54-L123 HydrophobicContact CE1-CD1 4Å; F54-L123 HydrophobicContact CZ-CD1 4.25Å; I84-L123 HydrophobicContact CD1-CD1 4.49Å; K105-L123 VanDerWaalsContact CA-O 3.31Å; K105-L123 WeakPolarHBondContact CA-O 3.25Å; C106-L123 PolarHBondContact N-O 3.28Å; C106-L123 PolarHBondContact O-N 3.44Å; V108-L123 HydrophobicContact CG2-CD1 3.88Å; V108-L123 HydrophobicContact CG2-CG 4.4Å; L123-L126 HydrophobicContact CD1-CD2 3.97Å; L123-C177 CarbonylContact C-O 3.43Å; L123-C177 WeakPolarHBondContact CA-O 3.49Å; L123-L178 HydrophobicContact CD2-CD1 4.2Å; L123-L178 HydrophobicContact CD2-CD2 3.29Å; L123-L178 HydrophobicContact CD2-CG 3.38Å
124	Q	56.5	Low	56.1	Low	63 Å²	63	50.2 Å²	50.2	29%	0.294	29%	0.289	S	S	.	.	S	Bend	trans	-74.3	-36	174.6	-72.6	-156.5	18.4	0	0	112.7	E104 E176 C177 I179	E104-Q124 CarbonylContact C-O 3.54Å; E104-Q124 VanDerWaalsContact C-O 3.26Å; E104-Q124 CarbonylContact O-C 3.41Å; Q124-E176 WeakPolarHBondContact CB-O 3.28Å; Q124-E176 WeakPolarHBondContact CG-O 2.93Å; Q124-C177 PolarHBondContact N-O 2.77Å; Q124-I179 HydrophobicContact CG-CD1 3.8Å; Q124-I179 HydrophobicContact CG-CG1 4.47Å
125	K	58.6	Low	55.8	Low	105 Å²	105	49 Å²	49	46%	0.457	28%	0.282	S	S	.	.	S	Bend	trans	-145.8	145.3	173.7	-71.9	-169.6	176.1	-155.5	0	107.7	E104 P127	E104-K125 HydrophobicContact CB-CG 4.39Å; E104-K125 WeakPolarHBondContact OE1-CE 3.47Å; E104-K125 IonicContact OE1-NZ 3.78Å; E104-K125 PolarHBondContact OE1-NZ 2.98Å; E104-K125 WeakPolarHBondContact OE2-CE 3.4Å; E104-K125 IonicContact OE2-NZ 2.81Å; E104-K125 PolarHBondContact OE2-NZ 2.7Å; K125-P127 WeakPolarHBondContact O-CD 3.33Å
126	L	59.9	Low	55.6	Low	37 Å²	37	52 Å²	52	19%	0.194	29%	0.289	C	S	.	.			trans	-66.3	121.8	172.6	-70	169.9	0	0	0	108.6	W42 V52 F54 Y64 L123 A128	W42-L126 HydrophobicContact CE3-CD1 4.24Å; W42-L126 HydrophobicContact CH2-CD1 4.47Å; W42-L126 HydrophobicContact CZ3-CD1 3.84Å; V52-L126 HydrophobicContact CB-CD1 4.33Å; V52-L126 HydrophobicContact CG1-CD1 4.23Å; V52-L126 HydrophobicContact CG2-CD1 3.62Å; F54-L126 HydrophobicContact CE1-CD2 4.42Å; F54-L126 HydrophobicContact CZ-CD2 3.79Å; Y64-L126 HydrophobicContact CE2-CB 4.27Å; Y64-L126 HydrophobicContact CE2-CD1 4.49Å; Y64-L126 HydrophobicContact CE2-CD2 4.36Å; L123-L126 HydrophobicContact CD1-CD2 3.97Å; L126-A128 PolarHBondContact O-N 2.84Å; L126-A128 VanDerWaalsContact O-N 3.1Å
127	P	57.5	Low	55.4	Low	9 Å²	9	52.6 Å²	52.6	6%	0.058	29%	0.291	C	S	.	.			trans	-66	114.5	-171.7	23.5	-31.4	0	0	0	110.1	Y64 K125 G129	Y64-P127 HydrophobicContact CE1-CG 4.03Å; Y64-P127 PolarHBondContact OH-O 2.68Å; K125-P127 WeakPolarHBondContact O-CD 3.33Å; P127-G129 VanDerWaalsContact C-N 3.26Å; P127-G129 PolarHBondContact O-N 2.66Å
128	A	55	Low	55.1	Low	100 Å²	100	56.1 Å²	56.1	83%	0.826	31%	0.31	S	S	*	.			trans	-79.3	5.8	-170.4	0	0	0	0	0	115.2	L126	L126-A128 PolarHBondContact O-N 2.84Å; L126-A128 VanDerWaalsContact O-N 3.1Å
129	G	48.4	Very low	54.6	Low	36 Å²	36	58.3 Å²	58.3	37%	0.371	32%	0.318	S	S	.	.	S	Bend	trans	179.5	152.7	-175.9	0	0	0	0	0	115.5	P127	P127-G129 VanDerWaalsContact C-N 3.26Å; P127-G129 PolarHBondContact O-N 2.66Å
130	D	49.4	Very low	54.2	Low	128 Å²	128	65.3 Å²	65.3	68%	0.684	35%	0.351	S	S	*	.			trans	50.9	111.7	167.4	-130.2	-25.2	0	0	0	119	S132	D130-S132 PolarHBondContact O-N 3.1Å
131	P	42.8	Very low	53.9	Low	64 Å²	64	68.2 Å²	68.2	42%	0.416	36%	0.364	S	S	.	.			trans	-66.6	8	-179.2	18.8	-28.7	0	0	0	117.6	P83 V133	P83-P131 HydrophobicContact CG-CB 3.6Å; P83-P131 HydrophobicContact CG-CG 4.09Å; P131-V133 PolarHBondContact O-N 2.93Å
132	S	40.9	Very low	53.9	Low	102 Å²	102	68.4 Å²	68.4	71%	0.713	37%	0.365	S	S	*	.			trans	-59.1	-19.2	-162.7	59.6	0	0	0	0	115.9	D130	D130-S132 PolarHBondContact O-N 3.1Å
133	V	43	Very low	54.1	Low	61 Å²	61	67.7 Å²	67.7	37%	0.37	36%	0.362	S	S	.	.			trans	-113.2	104.1	174	-175.7	0	0	0	0	108.7	K85 P131	K85-V133 WeakPolarHBondContact CB-O 3.48Å; K85-V133 HydrophobicContact CD-CB 4.43Å; K85-V133 WeakPolarHBondContact CD-O 3.39Å; K85-V133 WeakPolarHBondContact CG-O 3.21Å; P131-V133 PolarHBondContact O-N 2.93Å
134	Q	47.1	Very low	54.1	Low	108 Å²	108	68.5 Å²	68.5	51%	0.505	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-90.1	123.9	167.4	-72.2	-178.6	-16.5	0	0	108.8
135	T	51.2	Low	54.4	Low	33 Å²	33	65.5 Å²	65.5	20%	0.202	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.3	169.6	-48.7	0	0	0	0	109.3	K85 I86 D87 Y180	K85-T135 WeakPolarHBondContact O-CA 3.26Å; K85-T135 WeakPolarHBondContact O-CB 3.41Å; K85-T135 PolarHBondContact O-N 2.86Å; K85-T135 PolarHBondContact O-OG1 2.8Å; I86-T135 WeakPolarHBondContact CA-O 3.43Å; D87-T135 PolarHBondContact N-O 2.75Å; T135-Y180 WeakPolarHBondContact CB-OH 3.44Å; T135-Y180 HydrophobicContact CG2-CE2 3.87Å; T135-Y180 VanDerWaalsContact CG2-OH 3.25Å; T135-Y180 WeakPolarHBondContact CG2-OH 3.34Å; T135-Y180 PolarHBondContact OG1-OH 2.74Å; T135-Y180 VanDerWaalsContact OG1-OH 3.08Å
136	R	52.2	Low	54.2	Low	176 Å²	176	62.3 Å²	62.3	66%	0.664	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	131.6	171.2	-71.1	-176.7	-179.7	172.6	4.6	109.1	D87	D87-R136 HydrophobicContact CB-CG 4.31Å
137	I	57.6	Low	53.9	Low	11 Å²	11	66.5 Å²	66.5	6%	0.056	36%	0.362	C	S	.	.			trans	-106.3	117.7	174.3	-54.5	-177.7	0	0	0	106.9	I86 L88 V119 L121 Q141 L142 Y180	I86-I137 HydrophobicContact CD1-CD1 4.42Å; I86-I137 HydrophobicContact CG1-CD1 4.37Å; I86-I137 HydrophobicContact CG2-CD1 3.67Å; I86-I137 HydrophobicContact CG2-CG1 4.14Å; L88-I137 HydrophobicContact CD2-CB 3.92Å; L88-I137 HydrophobicContact CD2-CD1 4.26Å; L88-I137 HydrophobicContact CD2-CG1 4.44Å; L88-I137 HydrophobicContact CD2-CG2 4.49Å; V119-I137 HydrophobicContact CG1-CD1 4.36Å; V119-I137 HydrophobicContact CG2-CD1 3.9Å; L121-I137 HydrophobicContact CD2-CD1 4.1Å; I137-Q141 HydrophobicContact CG2-CB 3.89Å; I137-L142 HydrophobicContact CG2-CD2 3.78Å; I137-Y180 HydrophobicContact CD1-CD1 4.08Å; I137-Y180 HydrophobicContact CD1-CE1 3.7Å; I137-Y180 HydrophobicContact CG1-CE1 4.22Å
138	E	58	Low	53.7	Low	111 Å²	111	67.4 Å²	67.4	52%	0.519	37%	0.365	S	S	.	.			trans	-72.9	153.4	179.2	-64.9	-63	159	0	0	110.7	E140 Q141	E138-E140 VanDerWaalsContact C-N 3.25Å; E138-E140 PolarHBondContact O-N 2.8Å; E138-Q141 HydrophobicContact CB-CG 4.34Å; E138-Q141 VanDerWaalsContact O-CB 3.29Å; E138-Q141 WeakPolarHBondContact O-CB 3.25Å; E138-Q141 PolarHBondContact O-N 2.89Å
139	Y	57.4	Low	53.4	Low	46 Å²	46	63.2 Å²	63.2	18%	0.18	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-59.7	-36.3	-174.2	-176.4	-116.7	0	0	0	113.5	Y91 V114 E115 R117 Q141 L142	Y91-Y139 HydrophobicContact CD1-CD2 4.08Å; Y91-Y139 HydrophobicContact CD1-CE2 4.1Å; Y91-Y139 HydrophobicContact CD2-CD2 4.29Å; Y91-Y139 AromaticContact CE1-CD2 3.3Å; Y91-Y139 HydrophobicContact CE1-CD2 3.3Å; Y91-Y139 AromaticContact CE1-CE2 3.43Å; Y91-Y139 HydrophobicContact CE1-CE2 3.43Å; Y91-Y139 VanDerWaalsContact CE1-CE2 3.43Å; Y91-Y139 HydrophobicContact CE1-CG 4.24Å; Y91-Y139 AromaticContact CE2-CD2 3.56Å; Y91-Y139 HydrophobicContact CE2-CD2 3.56Å; Y91-Y139 HydrophobicContact CE2-CE2 4.48Å; Y91-Y139 HydrophobicContact CE2-CG 4.14Å; Y91-Y139 AromaticContact CZ-CD2 3.03Å; Y91-Y139 AromaticContact CZ-CE2 3.7Å; Y91-Y139 AromaticContact CZ-CG 3.63Å; Y91-Y139 VanDerWaalsContact OH-CB 3.28Å; Y91-Y139 WeakPolarHBondContact OH-CB 3.5Å; Y91-Y139 WeakPolarHBondContact OH-CD2 3.45Å; Y91-Y139 VanDerWaalsContact OH-CG 3.23Å; V114-Y139 HydrophobicContact CG1-CE2 4.35Å; E115-Y139 VanDerWaalsContact CD-OH 3.23Å; E115-Y139 PolarHBondContact OE2-OH 2.79Å; R117-Y139 HydrophobicContact CG-CE2 4.47Å; R117-Y139 PolarHBondContact NE-OH 3.27Å; R117-Y139 VanDerWaalsContact NE-OH 3.16Å; R117-Y139 PolarHBondContact NH1-O 3.34Å; R117-Y139 VanDerWaalsContact NH2-CE1 3.27Å; R117-Y139 PolarHBondContact NH2-OH 3.23Å; Y139-Q141 PolarHBondContact O-N 3.02Å; Y139-L142 HydrophobicContact CD2-CD1 3.98Å; Y139-L142 WeakPolarHBondContact O-CB 3.29Å; Y139-L142 PolarHBondContact O-N 2.62Å; Y139-L142 VanDerWaalsContact O-N 3.08Å
140	E	58.8	Low	53.4	Low	151 Å²	151	63.4 Å²	63.4	71%	0.706	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-64.9	-20.5	179.2	-62.1	76.6	-166.8	0	0	112.3	E138	E138-E140 VanDerWaalsContact C-N 3.25Å; E138-E140 PolarHBondContact O-N 2.8Å
141	Q	57.8	Low	53	Low	61 Å²	61	58.8 Å²	58.8	29%	0.285	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-83.6	-18.3	177	-59.9	179.3	-50.5	0	0	112.5	I137 E138 Y139 L182	I137-Q141 HydrophobicContact CG2-CB 3.89Å; E138-Q141 HydrophobicContact CB-CG 4.34Å; E138-Q141 VanDerWaalsContact O-CB 3.29Å; E138-Q141 WeakPolarHBondContact O-CB 3.25Å; E138-Q141 PolarHBondContact O-N 2.89Å; Y139-Q141 PolarHBondContact O-N 3.02Å; Q141-L182 HydrophobicContact CB-CD2 3.79Å; Q141-L182 HydrophobicContact CG-CD2 4.36Å
142	L	63.1	Low	52.4	Low	3 Å²	3	60.2 Å²	60.2	2%	0.016	31%	0.31	C	S	.	.	S	Bend	trans	-79.4	141.5	176.2	-51.6	178.6	0	0	0	110	L88 Y91 T112 R117 V119 I137 Y139	L88-L142 HydrophobicContact CD2-CD2 4.13Å; Y91-L142 HydrophobicContact CD2-CD1 3.93Å; Y91-L142 HydrophobicContact CE2-CD1 4.36Å; Y91-L142 HydrophobicContact CG-CD1 4.23Å; T112-L142 HydrophobicContact CG2-CD1 4.43Å; R117-L142 HydrophobicContact CB-CB 3.42Å; R117-L142 VanDerWaalsContact CB-CB 3.42Å; R117-L142 HydrophobicContact CB-CD1 4.26Å; R117-L142 HydrophobicContact CB-CG 4.45Å; R117-L142 HydrophobicContact CG-CB 4.13Å; R117-L142 PolarHBondContact NH1-O 2.9Å; V119-L142 HydrophobicContact CB-CD2 3.87Å; V119-L142 HydrophobicContact CG1-CD2 4.17Å; I137-L142 HydrophobicContact CG2-CD2 3.78Å; Y139-L142 HydrophobicContact CD2-CD1 3.98Å; Y139-L142 WeakPolarHBondContact O-CB 3.29Å; Y139-L142 PolarHBondContact O-N 2.62Å; Y139-L142 VanDerWaalsContact O-N 3.08Å
143	V	61.3	Low	52	Low	14 Å²	14	59.9 Å²	59.9	9%	0.085	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.6	-174.4	174.4	0	0	0	0	111.2	R117 I118 I145 K147 F148 L183	R117-V143 CarbonylContact C-O 3.59Å; R117-V143 VanDerWaalsContact CA-O 3.23Å; R117-V143 WeakPolarHBondContact CA-O 3.15Å; I118-V143 PolarHBondContact N-O 3.02Å; I118-V143 PolarHBondContact O-N 2.83Å; I118-V143 VanDerWaalsContact O-N 3.1Å; V143-I145 PolarHBondContact O-N 2.79Å; V143-K147 HydrophobicContact CG1-CB 4.44Å; V143-K147 HydrophobicContact CG1-CD 4.11Å; V143-F148 HydrophobicContact CB-CE2 4.4Å; V143-F148 HydrophobicContact CG1-CE2 3.76Å; V143-F148 HydrophobicContact CG1-CZ 4.26Å; V143-L183 HydrophobicContact CB-CB 4.21Å; V143-L183 HydrophobicContact CB-CD1 3.44Å; V143-L183 VanDerWaalsContact CB-CD1 3.44Å; V143-L183 HydrophobicContact CB-CG 4.43Å; V143-L183 HydrophobicContact CG1-CB 4.13Å; V143-L183 HydrophobicContact CG1-CD1 3.82Å; V143-L183 HydrophobicContact CG1-CG 4.5Å; V143-L183 HydrophobicContact CG2-CB 3.59Å; V143-L183 HydrophobicContact CG2-CD1 3.51Å; V143-L183 HydrophobicContact CG2-CG 4.16Å
144	P	60.8	Low	51.2	Low	19 Å²	19	65.6 Å²	65.6	12%	0.123	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	132	178.9	-24.5	32.6	0	0	0	111.8	R117 S146 K147	R117-P144 HydrophobicContact CG-CG 4.41Å; P144-S146 WeakPolarHBondContact CB-OG 3.37Å; P144-S146 PolarHBondContact O-N 2.86Å; P144-S146 VanDerWaalsContact O-N 3.08Å; P144-K147 WeakPolarHBondContact O-CB 3.24Å; P144-K147 PolarHBondContact O-N 2.74Å
145	I	61.5	Low	50.3	Low	1 Å²	1	68.9 Å²	68.9	1%	0.005	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.8	177.6	-158	152.5	0	0	0	111.1	L116 I118 V143 K147 F148 I149 L198 L202	L116-I145 HydrophobicContact CB-CB 4.24Å; L116-I145 HydrophobicContact CB-CG2 3.82Å; L116-I145 HydrophobicContact CD2-CB 4Å; L116-I145 HydrophobicContact CD2-CD1 3.28Å; L116-I145 HydrophobicContact CD2-CG1 4.21Å; L116-I145 HydrophobicContact CD2-CG2 3.81Å; L116-I145 HydrophobicContact CG-CB 4.12Å; L116-I145 HydrophobicContact CG-CD1 4.03Å; L116-I145 HydrophobicContact CG-CG2 4.09Å; L116-I145 VanDerWaalsContact O-CB 3.23Å; L116-I145 WeakPolarHBondContact O-CB 3.22Å; L116-I145 PolarHBondContact O-N 3.38Å; I118-I145 HydrophobicContact CD1-CB 4.18Å; I118-I145 HydrophobicContact CD1-CD1 3.56Å; I118-I145 HydrophobicContact CD1-CG1 3.62Å; I118-I145 HydrophobicContact CG1-CD1 4.23Å; I118-I145 HydrophobicContact CG1-CG1 4.43Å; V143-I145 PolarHBondContact O-N 2.79Å; I145-K147 PolarHBondContact O-N 2.89Å; I145-K147 VanDerWaalsContact O-N 3.1Å; I145-F148 WeakPolarHBondContact O-CA 3.39Å; I145-F148 WeakPolarHBondContact O-CB 3.26Å; I145-F148 PolarHBondContact O-N 3.29Å; I145-I149 HydrophobicContact CB-CD1 4.43Å; I145-I149 HydrophobicContact CG1-CD1 4Å; I145-I149 HydrophobicContact CG1-CG1 4.27Å; I145-I149 HydrophobicContact CG2-CD1 3.8Å; I145-I149 WeakPolarHBondContact O-CG1 3.12Å; I145-I149 PolarHBondContact O-N 2.94Å; I145-L198 HydrophobicContact CD1-CD1 3.7Å; I145-L198 HydrophobicContact CG1-CD1 3.68Å; I145-L202 HydrophobicContact CD1-CD1 4Å; I145-L202 HydrophobicContact CD1-CD2 3.61Å; I145-L202 HydrophobicContact CD1-CG 3.55Å; I145-L202 HydrophobicContact CG1-CD2 4.33Å; I145-L202 HydrophobicContact CG1-CG 4.48Å; I145-L202 HydrophobicContact CG2-CD2 4.43Å
146	S	54.2	Low	49.2	Very low	37 Å²	37	71.4 Å²	71.4	26%	0.259	33%	0.334	S	S	.	.	H	α-helix	trans	-57.9	-28	-178.6	58.6	0	0	0	0	111.8	P144 F148 I149 F150	P144-S146 WeakPolarHBondContact CB-OG 3.37Å; P144-S146 PolarHBondContact O-N 2.86Å; P144-S146 VanDerWaalsContact O-N 3.08Å; S146-F148 VanDerWaalsContact C-N 3.26Å; S146-F148 PolarHBondContact O-N 3.48Å; S146-I149 PolarHBondContact O-N 3.1Å; S146-F150 WeakPolarHBondContact O-CB 3.45Å; S146-F150 WeakPolarHBondContact O-CD2 3.5Å; S146-F150 PolarHBondContact O-N 3.37Å
147	K	54.5	Low	48	Very low	126 Å²	126	63.8 Å²	63.8	55%	0.548	31%	0.309	S	S	.	.	H	α-helix	trans	-67.9	-24.3	173.9	-65.9	-169.1	179.5	178	0	113.4	V143 P144 I145 A151	V143-K147 HydrophobicContact CG1-CB 4.44Å; V143-K147 HydrophobicContact CG1-CD 4.11Å; P144-K147 WeakPolarHBondContact O-CB 3.24Å; P144-K147 PolarHBondContact O-N 2.74Å; I145-K147 PolarHBondContact O-N 2.89Å; I145-K147 VanDerWaalsContact O-N 3.1Å; K147-A151 WeakPolarHBondContact O-CB 3.32Å
148	F	52.2	Low	46.6	Very low	28 Å²	28	67.9 Å²	67.9	12%	0.123	34%	0.335	C	S	.	.	H	α-helix	trans	-87.7	-26.1	175.1	-58.7	-94.5	0	0	0	112.6	I118 V143 I145 S146 A161 L183 I193 L198	I118-F148 HydrophobicContact CB-CE2 4.43Å; I118-F148 HydrophobicContact CD1-CD2 4.21Å; I118-F148 HydrophobicContact CD1-CE2 3.99Å; I118-F148 HydrophobicContact CD1-CZ 4.5Å; V143-F148 HydrophobicContact CB-CE2 4.4Å; V143-F148 HydrophobicContact CG1-CE2 3.76Å; V143-F148 HydrophobicContact CG1-CZ 4.26Å; I145-F148 WeakPolarHBondContact O-CA 3.39Å; I145-F148 WeakPolarHBondContact O-CB 3.26Å; I145-F148 PolarHBondContact O-N 3.29Å; S146-F148 VanDerWaalsContact C-N 3.26Å; S146-F148 PolarHBondContact O-N 3.48Å; F148-A161 HydrophobicContact CD1-CB 3.91Å; F148-A161 HydrophobicContact CE1-CB 3.5Å; F148-A161 VanDerWaalsContact CE1-CB 3.5Å; F148-A161 HydrophobicContact CZ-CB 4.49Å; F148-L183 HydrophobicContact CE1-CD1 4.41Å; F148-L183 HydrophobicContact CE1-CD2 3.55Å; F148-L183 HydrophobicContact CE2-CD1 4.22Å; F148-L183 HydrophobicContact CZ-CD1 3.49Å; F148-L183 VanDerWaalsContact CZ-CD1 3.49Å; F148-L183 HydrophobicContact CZ-CD2 3.45Å; F148-L183 VanDerWaalsContact CZ-CD2 3.45Å; F148-L183 HydrophobicContact CZ-CG 4.11Å; F148-I193 HydrophobicContact CD1-CG2 3.62Å; F148-I193 HydrophobicContact CE1-CG2 3.8Å; F148-L198 HydrophobicContact CB-CD1 4.14Å
149	I	48.6	Very low	45	Very low	12 Å²	12	64.2 Å²	64.2	6%	0.062	32%	0.321	C	S	.	.	H	α-helix	trans	-90.2	-45.2	-175.3	-58	171	0	0	0	111.8	I145 S146 L202 L222 L236	I145-I149 HydrophobicContact CB-CD1 4.43Å; I145-I149 HydrophobicContact CG1-CD1 4Å; I145-I149 HydrophobicContact CG1-CG1 4.27Å; I145-I149 HydrophobicContact CG2-CD1 3.8Å; I145-I149 WeakPolarHBondContact O-CG1 3.12Å; I145-I149 PolarHBondContact O-N 2.94Å; S146-I149 PolarHBondContact O-N 3.1Å; I149-L202 HydrophobicContact CD1-CD1 3.84Å; I149-L202 HydrophobicContact CD1-CD2 3.96Å; I149-L202 HydrophobicContact CG1-CD1 4.24Å; I149-L222 HydrophobicContact CG2-CD2 4.43Å; I149-L236 HydrophobicContact CB-CD2 3.8Å; I149-L236 HydrophobicContact CD1-CD2 3.69Å; I149-L236 HydrophobicContact CG1-CD2 3.35Å; I149-L236 HydrophobicContact CG2-CD2 3.29Å; I149-L236 HydrophobicContact CG2-CG 4.39Å
150	F	49	Very low	43.6	Very low	39 Å²	39	64.7 Å²	64.7	17%	0.171	33%	0.325	C	S	.	.	S	Bend	trans	-118.2	-1.3	-159.4	-63.5	-82.8	0	0	0	115.1	S146 S152 F214 E218 L222	S146-F150 WeakPolarHBondContact O-CB 3.45Å; S146-F150 WeakPolarHBondContact O-CD2 3.5Å; S146-F150 PolarHBondContact O-N 3.37Å; F150-S152 PolarHBondContact O-N 3.08Å; F150-F214 HydrophobicContact CD2-CZ 4.19Å; F150-F214 AromaticContact CE2-CE1 3.46Å; F150-F214 HydrophobicContact CE2-CE1 3.46Å; F150-F214 VanDerWaalsContact CE2-CE1 3.46Å; F150-F214 AromaticContact CE2-CZ 3.49Å; F150-F214 HydrophobicContact CE2-CZ 3.49Å; F150-F214 VanDerWaalsContact CE2-CZ 3.49Å; F150-F214 AromaticContact CZ-CE1 3.79Å; F150-F214 HydrophobicContact CZ-CE1 3.79Å; F150-F214 HydrophobicContact CZ-CZ 4.12Å; F150-E218 HydrophobicContact CE1-CB 4.03Å; F150-E218 HydrophobicContact CZ-CB 3.81Å; F150-E218 HydrophobicContact CZ-CG 4.21Å; F150-L222 HydrophobicContact CD1-CD2 3.78Å; F150-L222 HydrophobicContact CD1-CG 4.47Å; F150-L222 HydrophobicContact CE1-CD1 4.05Å; F150-L222 HydrophobicContact CE1-CD2 3.04Å; F150-L222 HydrophobicContact CE1-CG 3.42Å; F150-L222 VanDerWaalsContact CE1-CG 3.42Å; F150-L222 HydrophobicContact CZ-CD1 4Å; F150-L222 HydrophobicContact CZ-CD2 3.64Å; F150-L222 HydrophobicContact CZ-CG 3.91Å
151	A	41.1	Very low	42.2	Very low	31 Å²	31	58.1 Å²	58.1	26%	0.256	30%	0.297	S	S	.	.			trans	-70.1	89.7	175.6	0	0	0	0	0	108.2	K147 D153 Y156	K147-A151 WeakPolarHBondContact O-CB 3.32Å; A151-D153 PolarHBondContact O-N 2.8Å; A151-D153 VanDerWaalsContact O-N 3.13Å; A151-D153 VanDerWaalsContact O-O 3.12Å; A151-Y156 HydrophobicContact CB-CD2 3.47Å; A151-Y156 VanDerWaalsContact CB-CD2 3.47Å; A151-Y156 HydrophobicContact CB-CE2 4.29Å; A151-Y156 HydrophobicContact CB-CG 3.85Å
152	S	30.7	Very low	40.8	Very low	94 Å²	94	56 Å²	56	66%	0.657	29%	0.288	S	S	*	.			trans	-62.6	-7.3	176.8	53.4	0	0	0	0	113.3	F150 F154	F150-S152 PolarHBondContact O-N 3.08Å; S152-F154 PolarHBondContact O-N 3.24Å; S152-F154 VanDerWaalsContact O-N 3.1Å
153	D	31.3	Very low	39.3	Very low	96 Å²	96	56.4 Å²	56.4	51%	0.513	29%	0.29	S	S	.	.	S	Bend	trans	-65.1	111.8	161.4	-86.8	-29.1	0	0	0	107.2	A151 R155 Y156	A151-D153 PolarHBondContact O-N 2.8Å; A151-D153 VanDerWaalsContact O-N 3.13Å; A151-D153 VanDerWaalsContact O-O 3.12Å; D153-R155 HydrophobicContact CB-CB 4.44Å; D153-R155 CarbonylContact O-C 3.28Å; D153-R155 VanDerWaalsContact O-C 3.3Å; D153-R155 WeakPolarHBondContact O-CA 2.94Å; D153-R155 PolarHBondContact O-N 3.28Å; D153-Y156 HydrophobicContact CB-CD2 4.41Å; D153-Y156 PolarHBondContact O-N 3.3Å
154	F	27.1	Very low	37.7	Very low	181 Å²	181	58.7 Å²	58.7	79%	0.794	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.2	-10.4	166.7	-78.6	-91.2	0	0	0	115.7	S152 T158	S152-F154 PolarHBondContact O-N 3.24Å; S152-F154 VanDerWaalsContact O-N 3.1Å; F154-T158 PolarHBondContact O-OG1 2.78Å
155	R	27.1	Very low	36.2	Very low	176 Å²	176	64.1 Å²	64.1	66%	0.664	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-76.7	160.3	-53.5	-173.3	-148.1	-161.8	6.9	108.5	D153 A157 T158 S159	D153-R155 HydrophobicContact CB-CB 4.44Å; D153-R155 CarbonylContact O-C 3.28Å; D153-R155 VanDerWaalsContact O-C 3.3Å; D153-R155 WeakPolarHBondContact O-CA 2.94Å; D153-R155 PolarHBondContact O-N 3.28Å; R155-A157 PolarHBondContact O-N 2.98Å; R155-T158 CarbonylContact O-C 3.37Å; R155-T158 PolarHBondContact O-N 3.43Å; R155-T158 VanDerWaalsContact O-N 3.09Å; R155-S159 WeakPolarHBondContact CA-OG 3.23Å; R155-S159 WeakPolarHBondContact O-CA 3.32Å; R155-S159 WeakPolarHBondContact O-CB 3.3Å; R155-S159 PolarHBondContact O-N 3.27Å; R155-S159 PolarHBondContact O-OG 3.26Å
156	Y	28.2	Very low	34.8	Very low	86 Å²	86	67.3 Å²	67.3	34%	0.337	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-67.3	-38	-156.3	-63.9	-82.5	0	0	0	118.1	A151 D153 T158 S159	A151-Y156 HydrophobicContact CB-CD2 3.47Å; A151-Y156 VanDerWaalsContact CB-CD2 3.47Å; A151-Y156 HydrophobicContact CB-CE2 4.29Å; A151-Y156 HydrophobicContact CB-CG 3.85Å; D153-Y156 HydrophobicContact CB-CD2 4.41Å; D153-Y156 PolarHBondContact O-N 3.3Å; Y156-T158 PolarHBondContact O-N 2.89Å; Y156-T158 VanDerWaalsContact O-N 3.15Å; Y156-S159 WeakPolarHBondContact CA-OG 3.23Å; Y156-S159 PolarHBondContact N-OG 2.95Å; Y156-S159 PolarHBondContact O-N 3.16Å; Y156-S159 VanDerWaalsContact O-O 3.09Å
157	A	27.8	Very low	33.7	Very low	16 Å²	16	69.3 Å²	69.3	13%	0.132	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-64.2	-21.4	178	0	0	0	0	0	112.7	R155 Q232	R155-A157 PolarHBondContact O-N 2.98Å; A157-Q232 VanDerWaalsContact O-CD 3.32Å; A157-Q232 PolarHBondContact O-NE2 2.77Å; A157-Q232 PolarHBondContact O-OE1 3Å
158	T	27.3	Very low	32.7	Very low	98 Å²	98	65.9 Å²	65.9	60%	0.601	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-129.5	20.4	174.6	47.8	0	0	0	0	112.9	F154 R155 Y156 W192	F154-T158 PolarHBondContact O-OG1 2.78Å; R155-T158 CarbonylContact O-C 3.37Å; R155-T158 PolarHBondContact O-N 3.43Å; R155-T158 VanDerWaalsContact O-N 3.09Å; Y156-T158 PolarHBondContact O-N 2.89Å; Y156-T158 VanDerWaalsContact O-N 3.15Å; T158-W192 VanDerWaalsContact C-CH2 3.41Å; T158-W192 WeakPolarHBondContact O-CH2 3.2Å; T158-W192 WeakPolarHBondContact O-CZ3 3.04Å
159	S	26.3	Very low	31.6	Very low	33 Å²	33	71.6 Å²	71.6	23%	0.231	37%	0.372	C	S	.	.	S	Bend	trans	-132.2	113.3	177.5	79.8	0	0	0	0	105.8	R155 Y156 A161	R155-S159 WeakPolarHBondContact CA-OG 3.23Å; R155-S159 WeakPolarHBondContact O-CA 3.32Å; R155-S159 WeakPolarHBondContact O-CB 3.3Å; R155-S159 PolarHBondContact O-N 3.27Å; R155-S159 PolarHBondContact O-OG 3.26Å; Y156-S159 WeakPolarHBondContact CA-OG 3.23Å; Y156-S159 PolarHBondContact N-OG 2.95Å; Y156-S159 PolarHBondContact O-N 3.16Å; Y156-S159 VanDerWaalsContact O-O 3.09Å; S159-A161 VanDerWaalsContact C-N 3.31Å; S159-A161 PolarHBondContact O-N 3.03Å
160	E	27.1	Very low	30.7	Very low	56 Å²	56	76.5 Å²	76.5	26%	0.262	40%	0.399	S	S	.	.			trans	9.8	83.6	140.1	-61	-172.1	-173.2	0	0	111.4	T162 S188 C189 W192	E160-T162 WeakPolarHBondContact O-CA 3.4Å; E160-T162 PolarHBondContact O-N 3.4Å; E160-T162 PolarHBondContact O-OG1 2.87Å; E160-S188 WeakPolarHBondContact OE2-CA 2.97Å; E160-C189 PolarHBondContact OE2-N 3.08Å; E160-W192 HydrophobicContact CB-CZ2 4.27Å; E160-W192 HydrophobicContact CG-CD2 4.24Å; E160-W192 HydrophobicContact CG-CH2 4Å; E160-W192 HydrophobicContact CG-CZ2 3.21Å
161	A	29.7	Very low	29.8	Very low	14 Å²	14	81.5 Å²	81.5	12%	0.116	43%	0.432	C	S	.	.			trans	-59	101.5	158.6	0	0	0	0	0	102.7	F148 S159 F163 L183	F148-A161 HydrophobicContact CD1-CB 3.91Å; F148-A161 HydrophobicContact CE1-CB 3.5Å; F148-A161 VanDerWaalsContact CE1-CB 3.5Å; F148-A161 HydrophobicContact CZ-CB 4.49Å; S159-A161 VanDerWaalsContact C-N 3.31Å; S159-A161 PolarHBondContact O-N 3.03Å; A161-F163 HydrophobicContact CB-CE2 4.48Å; A161-F163 WeakPolarHBondContact O-CD2 3.15Å; A161-F163 WeakPolarHBondContact O-CE2 3.28Å; A161-F163 PolarHBondContact O-N 2.99Å; A161-L183 HydrophobicContact CB-CD2 3.31Å
162	T	28.4	Very low	29.4	Very low	16 Å²	16	83.8 Å²	83.8	10%	0.098	44%	0.443	C	S	.	.			trans	-84.8	112.1	-159.3	-53	0	0	0	0	106.4	E160 N164 L183 S184 R187	E160-T162 WeakPolarHBondContact O-CA 3.4Å; E160-T162 PolarHBondContact O-N 3.4Å; E160-T162 PolarHBondContact O-OG1 2.87Å; T162-N164 PolarHBondContact O-N 2.88Å; T162-L183 CarbonylContact O-C 3.59Å; T162-L183 VanDerWaalsContact O-CA 3.29Å; T162-L183 WeakPolarHBondContact O-CA 3.11Å; T162-S184 WeakPolarHBondContact CB-O 3.46Å; T162-S184 PolarHBondContact O-N 2.8Å; T162-R187 VanDerWaalsContact CG2-C 3.41Å; T162-R187 HydrophobicContact CG2-CB 4.5Å; T162-R187 WeakPolarHBondContact CG2-O 3.5Å
163	F	30.7	Very low	29.4	Very low	11 Å²	11	82.9 Å²	82.9	5%	0.048	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	101.4	179.2	-58	-96.2	0	0	0	110.3	Y109 Q120 A161 K165 C181 L182 L183 N191	Y109-F163 HydrophobicContact CE1-CE1 4.28Å; Y109-F163 AromaticContact CE1-CZ 3.88Å; Y109-F163 HydrophobicContact CE1-CZ 3.88Å; Q120-F163 HydrophobicContact CB-CD1 3.65Å; Q120-F163 HydrophobicContact CB-CE1 3.35Å; Q120-F163 HydrophobicContact CB-CZ 4.19Å; Q120-F163 HydrophobicContact CG-CD1 4.4Å; Q120-F163 HydrophobicContact CG-CE1 4.2Å; Q120-F163 VanDerWaalsContact OE1-CD1 3.25Å; Q120-F163 VanDerWaalsContact OE1-CD2 3.25Å; A161-F163 HydrophobicContact CB-CE2 4.48Å; A161-F163 WeakPolarHBondContact O-CD2 3.15Å; A161-F163 WeakPolarHBondContact O-CE2 3.28Å; A161-F163 PolarHBondContact O-N 2.99Å; F163-K165 PolarHBondContact O-N 3.19Å; F163-K165 VanDerWaalsContact O-N 3.14Å; F163-C181 HydrophobicContact CB-CB 3.22Å; F163-C181 VanDerWaalsContact CB-SG 3.5Å; F163-C181 HydrophobicContact CD1-CB 3.89Å; F163-C181 VanDerWaalsContact CD1-O 3.29Å; F163-C181 WeakPolarHBondContact CD1-O 3.33Å; F163-C181 HydrophobicContact CG-CB 3.79Å; F163-L182 CarbonylContact C-O 3.55Å; F163-L182 WeakPolarHBondContact CA-O 3.46Å; F163-L183 HydrophobicContact CD1-CD1 3.97Å; F163-L183 HydrophobicContact CD1-CD2 3.68Å; F163-L183 HydrophobicContact CD1-CG 3.44Å; F163-L183 VanDerWaalsContact CD1-CG 3.44Å; F163-L183 HydrophobicContact CD2-CD2 4.24Å; F163-L183 HydrophobicContact CE1-CD1 3.61Å; F163-L183 HydrophobicContact CE1-CD2 3.37Å; F163-L183 HydrophobicContact CE1-CG 3.44Å; F163-L183 VanDerWaalsContact CE1-CG 3.44Å; F163-L183 HydrophobicContact CE2-CD2 3.9Å; F163-L183 HydrophobicContact CG-CD2 4.11Å; F163-L183 HydrophobicContact CG-CG 4.15Å; F163-L183 HydrophobicContact CZ-CD1 4.41Å; F163-L183 HydrophobicContact CZ-CD2 3.48Å; F163-L183 VanDerWaalsContact CZ-CD2 3.48Å; F163-L183 HydrophobicContact CZ-CG 4.1Å; F163-N191 WeakPolarHBondContact CD2-O 3.29Å; F163-N191 WeakPolarHBondContact CE2-O 3.29Å
164	N	27.9	Very low	29.4	Very low	62 Å²	62	84.9 Å²	84.9	33%	0.332	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	113.1	164.1	-78.9	-4	0	0	0	110.6	T162 L166 C181 L182 S184	T162-N164 PolarHBondContact O-N 2.88Å; N164-L166 PolarHBondContact O-N 3.46Å; N164-C181 CarbonylContact O-C 3.52Å; N164-L182 WeakPolarHBondContact CA-O 3.3Å; N164-L182 HydrophobicContact CB-CB 4.03Å; N164-L182 WeakPolarHBondContact CB-O 3.45Å; N164-L182 PolarHBondContact N-O 3Å; N164-L182 WeakPolarHBondContact O-CB 3.15Å; N164-L182 PolarHBondContact O-N 3.38Å; N164-S184 VanDerWaalsContact CG-CB 3.47Å; N164-S184 WeakPolarHBondContact ND2-CB 3.14Å; N164-S184 PolarHBondContact ND2-OG 3.35Å
165	K	29.9	Very low	29.7	Very low	133 Å²	133	78.5 Å²	78.5	58%	0.578	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	102.4	172.2	-159.4	-177.2	-178.2	-178.4	0	110.1	F163 V167 I179 Y180	F163-K165 PolarHBondContact O-N 3.19Å; F163-K165 VanDerWaalsContact O-N 3.14Å; K165-V167 HydrophobicContact CD-CG2 4.17Å; K165-V167 HydrophobicContact CG-CG2 4.05Å; K165-I179 HydrophobicContact CD-CG2 4.18Å; K165-I179 HydrophobicContact CG-CG2 3.45Å; K165-I179 VanDerWaalsContact CG-CG2 3.45Å; K165-Y180 CarbonylContact C-O 3.58Å; K165-Y180 VanDerWaalsContact CA-O 3.25Å; K165-Y180 WeakPolarHBondContact CA-O 3.49Å
166	L	32.2	Very low	29.9	Very low	68 Å²	68	77.2 Å²	77.2	36%	0.356	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	108.1	162.1	-101.2	179.9	0	0	0	107.3	N164 Y180 L182	N164-L166 PolarHBondContact O-N 3.46Å; L166-Y180 PolarHBondContact N-O 2.71Å; L166-Y180 PolarHBondContact O-N 3.14Å; L166-L182 HydrophobicContact CB-CD1 4.47Å; L166-L182 HydrophobicContact CB-CG 4.38Å; L166-L182 HydrophobicContact CD1-CD1 3.11Å; L166-L182 HydrophobicContact CD1-CD2 4.38Å; L166-L182 HydrophobicContact CD1-CG 3.7Å; L166-L182 HydrophobicContact CG-CD1 3.7Å; L166-L182 HydrophobicContact CG-CG 4.14Å
167	V	30.5	Very low	30.4	Very low	79 Å²	79	74.3 Å²	74.3	48%	0.479	43%	0.425	S	S	.	.			trans	-91.8	116.7	164.5	-175.8	0	0	0	0	105.3	K165 D169	K165-V167 HydrophobicContact CD-CG2 4.17Å; K165-V167 HydrophobicContact CG-CG2 4.05Å; V167-D169 PolarHBondContact O-N 3.44Å
168	T	33.1	Very low	30.5	Very low	54 Å²	54	74.2 Å²	74.2	33%	0.331	42%	0.422	S	S	.	.			trans	-74.6	114.9	169.3	47.8	0	0	0	0	108	D170	T168-D170 PolarHBondContact O-N 2.94Å
169	D	28.8	Very low	30.8	Very low	149 Å²	149	70.1 Å²	70.1	80%	0.797	40%	0.396	S	S	*	.			trans	-71.9	20.5	-179.3	-83.4	-22	0	0	0	114.3	V167 T171	V167-D169 PolarHBondContact O-N 3.44Å; D169-T171 PolarHBondContact O-N 3.49Å; D169-T171 VanDerWaalsContact O-N 3.16Å
170	D	31.5	Very low	31.3	Very low	115 Å²	115	69.1 Å²	69.1	62%	0.615	39%	0.387	S	S	*	.			trans	-73.2	117.3	-179.4	-87.6	-20.4	0	0	0	111.1	T168 T172 S175	T168-D170 PolarHBondContact O-N 2.94Å; D170-T172 PolarHBondContact O-N 2.85Å; D170-S175 PolarHBondContact O-OG 3.36Å
171	T	28.8	Very low	31.6	Very low	144 Å²	144	66.8 Å²	66.8	88%	0.883	38%	0.377	S	S	*	.			trans	-64.2	22.8	-172.5	43.8	0	0	0	0	115.9	D169	D169-T171 PolarHBondContact O-N 3.49Å; D169-T171 VanDerWaalsContact O-N 3.16Å
172	T	32.6	Very low	31.8	Very low	78 Å²	78	67.5 Å²	67.5	48%	0.479	38%	0.379	S	S	.	.	S	Bend	trans	-98.8	122.4	169.6	59.3	0	0	0	0	107.9	D170 F174 S175	D170-T172 PolarHBondContact O-N 2.85Å; T172-F174 PolarHBondContact O-N 3.25Å; T172-S175 PolarHBondContact O-N 2.74Å
173	G	31	Very low	32.1	Very low	76 Å²	76	68.1 Å²	68.1	78%	0.784	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	19.3	-169.2	0	0	0	0	0	117.7
174	F	31.6	Very low	32	Very low	138 Å²	138	69.5 Å²	69.5	61%	0.605	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-5.4	176.2	-83.5	-89.1	0	0	0	113.6	T172 E176 C177	T172-F174 PolarHBondContact O-N 3.25Å; F174-E176 PolarHBondContact O-N 3.29Å; F174-C177 PolarHBondContact O-N 3.26Å
175	S	32.3	Very low	32.2	Very low	47 Å²	47	71.7 Å²	71.7	33%	0.329	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-70.4	-13.9	179.4	62.6	0	0	0	0	114	D170 T172 C177 L178	D170-S175 PolarHBondContact O-OG 3.36Å; T172-S175 PolarHBondContact O-N 2.74Å; S175-C177 PolarHBondContact O-N 2.98Å; S175-L178 PolarHBondContact O-N 3.41Å
176	E	32.3	Very low	32.2	Very low	148 Å²	148	68.5 Å²	68.5	69%	0.692	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-59.8	-18.2	175	-71	-170	159.8	0	0	113.3	Q124 F174	Q124-E176 WeakPolarHBondContact CB-O 3.28Å; Q124-E176 WeakPolarHBondContact CG-O 2.93Å; F174-E176 PolarHBondContact O-N 3.29Å
177	C	37.7	Very low	32	Very low	25 Å²	25	75 Å²	75	17%	0.169	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-82.4	-23.4	-174.3	-78.1	0	0	0	0	115.6	L123 Q124 F174 S175	L123-C177 CarbonylContact C-O 3.43Å; L123-C177 WeakPolarHBondContact CA-O 3.49Å; Q124-C177 PolarHBondContact N-O 2.77Å; F174-C177 PolarHBondContact O-N 3.26Å; S175-C177 PolarHBondContact O-N 2.98Å
178	L	31.4	Very low	31.8	Very low	14 Å²	14	75.7 Å²	75.7	7%	0.073	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	102.4	-172.7	-97.5	142.9	0	0	0	110.8	I84 K85 I86 L121 L123 S175 Y180	I84-L178 HydrophobicContact CG2-CD2 4.48Å; K85-L178 HydrophobicContact CB-CD1 4Å; I86-L178 HydrophobicContact CD1-CD2 4.19Å; L121-L178 HydrophobicContact CB-CD2 4.36Å; L123-L178 HydrophobicContact CD2-CD1 4.2Å; L123-L178 HydrophobicContact CD2-CD2 3.29Å; L123-L178 HydrophobicContact CD2-CG 3.38Å; S175-L178 PolarHBondContact O-N 3.41Å; L178-Y180 HydrophobicContact CB-CE2 4.47Å; L178-Y180 HydrophobicContact CD2-CE1 4.37Å
179	I	33.8	Very low	31.6	Very low	13 Å²	13	79 Å²	79	7%	0.067	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119.8	169.6	-70	169.6	0	0	0	107.7	E122 Q124 K165	E122-I179 WeakPolarHBondContact CA-O 3.47Å; E122-I179 HydrophobicContact CB-CB 3.93Å; E122-I179 HydrophobicContact CB-CG2 4.2Å; E122-I179 WeakPolarHBondContact CB-O 3.09Å; E122-I179 PolarHBondContact N-O 3.16Å; E122-I179 PolarHBondContact O-N 3.4Å; Q124-I179 HydrophobicContact CG-CD1 3.8Å; Q124-I179 HydrophobicContact CG-CG1 4.47Å; K165-I179 HydrophobicContact CD-CG2 4.18Å; K165-I179 HydrophobicContact CG-CG2 3.45Å; K165-I179 VanDerWaalsContact CG-CG2 3.45Å
180	Y	36.1	Very low	31.7	Very low	11 Å²	11	72.2 Å²	72.2	4%	0.043	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.1	171.8	-63.5	-81.6	0	0	0	109	I86 L121 T135 I137 K165 L166 L178	I86-Y180 HydrophobicContact CD1-CE1 4.36Å; I86-Y180 HydrophobicContact CG1-CE1 4.41Å; L121-Y180 HydrophobicContact CD2-CD1 3.83Å; L121-Y180 HydrophobicContact CD2-CE1 3.7Å; T135-Y180 WeakPolarHBondContact CB-OH 3.44Å; T135-Y180 HydrophobicContact CG2-CE2 3.87Å; T135-Y180 VanDerWaalsContact CG2-OH 3.25Å; T135-Y180 WeakPolarHBondContact CG2-OH 3.34Å; T135-Y180 PolarHBondContact OG1-OH 2.74Å; T135-Y180 VanDerWaalsContact OG1-OH 3.08Å; I137-Y180 HydrophobicContact CD1-CD1 4.08Å; I137-Y180 HydrophobicContact CD1-CE1 3.7Å; I137-Y180 HydrophobicContact CG1-CE1 4.22Å; K165-Y180 CarbonylContact C-O 3.58Å; K165-Y180 VanDerWaalsContact CA-O 3.25Å; K165-Y180 WeakPolarHBondContact CA-O 3.49Å; L166-Y180 PolarHBondContact N-O 2.71Å; L166-Y180 PolarHBondContact O-N 3.14Å; L178-Y180 HydrophobicContact CB-CE2 4.47Å; L178-Y180 HydrophobicContact CD2-CE1 4.37Å
181	C	32.9	Very low	32.1	Very low	7 Å²	7	69.4 Å²	69.4	5%	0.047	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	101.8	175	-106.5	0	0	0	0	104.7	Q120 E122 F163 N164	Q120-C181 HydrophobicContact CB-CB 4.33Å; Q120-C181 HydrophobicContact CG-CB 4.31Å; Q120-C181 PolarHBondContact O-N 2.58Å; E122-C181 HydrophobicContact CG-CB 4.2Å; E122-C181 PolarHBondContact OE1-SG 2.76Å; E122-C181 VanDerWaalsContact OE1-SG 3.41Å; F163-C181 HydrophobicContact CB-CB 3.22Å; F163-C181 VanDerWaalsContact CB-SG 3.5Å; F163-C181 HydrophobicContact CD1-CB 3.89Å; F163-C181 VanDerWaalsContact CD1-O 3.29Å; F163-C181 WeakPolarHBondContact CD1-O 3.33Å; F163-C181 HydrophobicContact CG-CB 3.79Å; N164-C181 CarbonylContact O-C 3.52Å
182	L	34.1	Very low	32.6	Very low	30 Å²	30	67.8 Å²	67.8	16%	0.157	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.7	-178.5	-74	-167	0	0	0	111.3	Q141 F163 N164 L166 S184	Q141-L182 HydrophobicContact CB-CD2 3.79Å; Q141-L182 HydrophobicContact CG-CD2 4.36Å; F163-L182 CarbonylContact C-O 3.55Å; F163-L182 WeakPolarHBondContact CA-O 3.46Å; N164-L182 WeakPolarHBondContact CA-O 3.3Å; N164-L182 HydrophobicContact CB-CB 4.03Å; N164-L182 WeakPolarHBondContact CB-O 3.45Å; N164-L182 PolarHBondContact N-O 3Å; N164-L182 WeakPolarHBondContact O-CB 3.15Å; N164-L182 PolarHBondContact O-N 3.38Å; L166-L182 HydrophobicContact CB-CD1 4.47Å; L166-L182 HydrophobicContact CB-CG 4.38Å; L166-L182 HydrophobicContact CD1-CD1 3.11Å; L166-L182 HydrophobicContact CD1-CD2 4.38Å; L166-L182 HydrophobicContact CD1-CG 3.7Å; L166-L182 HydrophobicContact CG-CD1 3.7Å; L166-L182 HydrophobicContact CG-CG 4.14Å; L182-S184 PolarHBondContact O-N 3.31Å
183	L	34.7	Very low	33.3	Very low	28 Å²	28	65.2 Å²	65.2	15%	0.147	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	112.9	-176.7	-57.2	121.1	0	0	0	111.7	V143 F148 A161 T162 F163	V143-L183 HydrophobicContact CB-CB 4.21Å; V143-L183 HydrophobicContact CB-CD1 3.44Å; V143-L183 VanDerWaalsContact CB-CD1 3.44Å; V143-L183 HydrophobicContact CB-CG 4.43Å; V143-L183 HydrophobicContact CG1-CB 4.13Å; V143-L183 HydrophobicContact CG1-CD1 3.82Å; V143-L183 HydrophobicContact CG1-CG 4.5Å; V143-L183 HydrophobicContact CG2-CB 3.59Å; V143-L183 HydrophobicContact CG2-CD1 3.51Å; V143-L183 HydrophobicContact CG2-CG 4.16Å; F148-L183 HydrophobicContact CE1-CD1 4.41Å; F148-L183 HydrophobicContact CE1-CD2 3.55Å; F148-L183 HydrophobicContact CE2-CD1 4.22Å; F148-L183 HydrophobicContact CZ-CD1 3.49Å; F148-L183 VanDerWaalsContact CZ-CD1 3.49Å; F148-L183 HydrophobicContact CZ-CD2 3.45Å; F148-L183 VanDerWaalsContact CZ-CD2 3.45Å; F148-L183 HydrophobicContact CZ-CG 4.11Å; A161-L183 HydrophobicContact CB-CD2 3.31Å; T162-L183 CarbonylContact O-C 3.59Å; T162-L183 VanDerWaalsContact O-CA 3.29Å; T162-L183 WeakPolarHBondContact O-CA 3.11Å; F163-L183 HydrophobicContact CD1-CD1 3.97Å; F163-L183 HydrophobicContact CD1-CD2 3.68Å; F163-L183 HydrophobicContact CD1-CG 3.44Å; F163-L183 VanDerWaalsContact CD1-CG 3.44Å; F163-L183 HydrophobicContact CD2-CD2 4.24Å; F163-L183 HydrophobicContact CE1-CD1 3.61Å; F163-L183 HydrophobicContact CE1-CD2 3.37Å; F163-L183 HydrophobicContact CE1-CG 3.44Å; F163-L183 VanDerWaalsContact CE1-CG 3.44Å; F163-L183 HydrophobicContact CE2-CD2 3.9Å; F163-L183 HydrophobicContact CG-CD2 4.11Å; F163-L183 HydrophobicContact CG-CG 4.15Å; F163-L183 HydrophobicContact CZ-CD1 4.41Å; F163-L183 HydrophobicContact CZ-CD2 3.48Å; F163-L183 VanDerWaalsContact CZ-CD2 3.48Å; F163-L183 HydrophobicContact CZ-CG 4.1Å
184	S	29.6	Very low	34.1	Very low	41 Å²	41	62.2 Å²	62.2	29%	0.287	35%	0.348	S	S	.	.			trans	-123.7	144.3	169.1	-70.8	0	0	0	0	110.8	T162 N164 L182 G186	T162-S184 WeakPolarHBondContact CB-O 3.46Å; T162-S184 PolarHBondContact O-N 2.8Å; N164-S184 VanDerWaalsContact CG-CB 3.47Å; N164-S184 WeakPolarHBondContact ND2-CB 3.14Å; N164-S184 PolarHBondContact ND2-OG 3.35Å; L182-S184 PolarHBondContact O-N 3.31Å; S184-G186 PolarHBondContact O-N 2.97Å
185	P	30.7	Very low	34.9	Very low	107 Å²	107	57.9 Å²	57.9	70%	0.695	33%	0.334	S	S	*	.	S	Bend	trans	-63.2	122.6	169.5	-13.8	27.6	0	0	0	109.8
186	G	30.7	Very low	35.6	Very low	66 Å²	66	59.2 Å²	59.2	68%	0.68	34%	0.343	S	S	*	.	S	Bend	trans	120.4	19	148.5	0	0	0	0	0	120.5	S184	S184-G186 PolarHBondContact O-N 2.97Å
187	R	27.5	Very low	36.5	Very low	204 Å²	204	52.7 Å²	52.7	77%	0.77	31%	0.313	S	S	*	.			trans	-140.1	87.1	172.3	-74.5	-165.4	178.3	-169.5	0.9	115	T162 C189	T162-R187 VanDerWaalsContact CG2-C 3.41Å; T162-R187 HydrophobicContact CG2-CB 4.5Å; T162-R187 WeakPolarHBondContact CG2-O 3.5Å; R187-C189 PolarHBondContact O-N 3.03Å; R187-C189 VanDerWaalsContact O-N 3.15Å
188	S	27	Very low	37.3	Very low	95 Å²	95	52.4 Å²	52.4	66%	0.664	31%	0.31	S	S	*	.	S	Bend	trans	-32	110.1	176.9	55.7	0	0	0	0	114.7	E160	E160-S188 WeakPolarHBondContact OE2-CA 2.97Å
189	C	27.5	Very low	38.3	Very low	124 Å²	124	53.9 Å²	53.9	84%	0.838	32%	0.318	S	S	*	.			trans	169	7	171.8	-92.9	0	0	0	0	113.5	E160 R187	E160-C189 PolarHBondContact OE2-N 3.08Å; R187-C189 PolarHBondContact O-N 3.03Å; R187-C189 VanDerWaalsContact O-N 3.15Å
190	G	32.8	Very low	39.2	Very low	5 Å²	5	56.6 Å²	56.6	5%	0.052	33%	0.331	C	S	.	.			trans	-82.1	139.9	-167.8	0	0	0	0	0	115.7	W192	G190-W192 VanDerWaalsContact O-CD1 3.25Å; G190-W192 PolarHBondContact O-N 3.4Å
191	N	38.8	Very low	40.3	Very low	57 Å²	57	56 Å²	56	31%	0.305	33%	0.329	S	S	.	.			trans	-72	94.6	170.8	-81.8	-44.5	0	0	0	111.7	L101 Y109 Q120 E122 F163 I193	L101-N191 WeakPolarHBondContact CD1-ND2 3.37Å; L101-N191 HydrophobicContact CD2-CB 4.29Å; Y109-N191 PolarHBondContact OH-O 3.04Å; Q120-N191 PolarHBondContact OE1-O 2.83Å; E122-N191 PolarHBondContact OE1-ND2 2.88Å; F163-N191 WeakPolarHBondContact CD2-O 3.29Å; F163-N191 WeakPolarHBondContact CE2-O 3.29Å; N191-I193 PolarHBondContact O-N 3.15Å
192	W	40.5	Very low	41.5	Very low	109 Å²	109	55.8 Å²	55.8	41%	0.413	33%	0.327	S	S	.	.			trans	-39.9	122.6	174.6	-51.4	71.4	0	0	0	113.2	R99 T158 E160 G190 G194	R99-W192 PolarHBondContact NH1-O 3.32Å; T158-W192 VanDerWaalsContact C-CH2 3.41Å; T158-W192 WeakPolarHBondContact O-CH2 3.2Å; T158-W192 WeakPolarHBondContact O-CZ3 3.04Å; E160-W192 HydrophobicContact CB-CZ2 4.27Å; E160-W192 HydrophobicContact CG-CD2 4.24Å; E160-W192 HydrophobicContact CG-CH2 4Å; E160-W192 HydrophobicContact CG-CZ2 3.21Å; G190-W192 VanDerWaalsContact O-CD1 3.25Å; G190-W192 PolarHBondContact O-N 3.4Å; W192-G194 PolarHBondContact O-N 3.06Å
193	I	47	Very low	42.4	Very low	24 Å²	24	60.6 Å²	60.6	12%	0.123	34%	0.343	C	S	.	.			trans	-59.7	121.6	161.3	-170.1	168.7	0	0	0	107.4	Y109 I118 F148 N191 D197 L198 L201	Y109-I193 HydrophobicContact CD1-CB 4.49Å; Y109-I193 HydrophobicContact CD1-CD1 4.06Å; Y109-I193 HydrophobicContact CD1-CG1 4.21Å; Y109-I193 HydrophobicContact CE1-CB 4.03Å; Y109-I193 HydrophobicContact CE1-CD1 4.46Å; Y109-I193 HydrophobicContact CE1-CG1 4.15Å; Y109-I193 HydrophobicContact CG-CD1 4.37Å; I118-I193 HydrophobicContact CD1-CD1 4.06Å; F148-I193 HydrophobicContact CD1-CG2 3.62Å; F148-I193 HydrophobicContact CE1-CG2 3.8Å; N191-I193 PolarHBondContact O-N 3.15Å; I193-D197 HydrophobicContact CD1-CB 4.25Å; I193-D197 HydrophobicContact CG1-CB 3.61Å; I193-L198 HydrophobicContact CD1-CB 4.33Å; I193-L198 HydrophobicContact CD1-CD1 4.3Å; I193-L198 HydrophobicContact CG1-CB 4.47Å; I193-L201 HydrophobicContact CD1-CD1 3.67Å
194	G	46.2	Very low	43.3	Very low	14 Å²	14	61.3 Å²	61.3	14%	0.144	35%	0.349	C	S	.	.			trans	-67.7	153.8	179.2	0	0	0	0	0	110.4	W192 S196 D197 L198	W192-G194 PolarHBondContact O-N 3.06Å; G194-S196 PolarHBondContact O-N 3.08Å; G194-D197 WeakPolarHBondContact CA-OD2 3.39Å; G194-D197 PolarHBondContact N-OD2 3.04Å; G194-D197 WeakPolarHBondContact O-CB 3.17Å; G194-D197 PolarHBondContact O-N 3.34Å; G194-D197 VanDerWaalsContact O-N 3.08Å; G194-L198 PolarHBondContact O-N 2.95Å
195	S	48.5	Very low	44.7	Very low	47 Å²	47	59.6 Å²	59.6	33%	0.329	34%	0.336	S	S	.	.	H	α-helix	trans	-58.7	-31.5	174.6	59.4	0	0	0	0	112.2	L199	S195-L199 WeakPolarHBondContact O-CB 3.43Å; S195-L199 WeakPolarHBondContact O-CD1 3.36Å; S195-L199 WeakPolarHBondContact O-CG 3.48Å; S195-L199 PolarHBondContact O-N 3.4Å
196	S	47.6	Very low	45.9	Very low	74 Å²	74	54.5 Å²	54.5	52%	0.517	30%	0.303	S	S	.	.	H	α-helix	trans	-66.8	-45.3	174.5	47.3	0	0	0	0	111.8	G194 L199 M200	G194-S196 PolarHBondContact O-N 3.08Å; S196-L199 PolarHBondContact O-N 3.13Å; S196-M200 WeakPolarHBondContact O-CB 3.49Å; S196-M200 VanDerWaalsContact O-CG 3.24Å; S196-M200 WeakPolarHBondContact O-CG 3.32Å; S196-M200 PolarHBondContact O-N 3.47Å
197	D	52.1	Low	47	Very low	11 Å²	11	56.4 Å²	56.4	6%	0.059	29%	0.292	C	S	.	.	H	α-helix	trans	-60.5	-47.9	177.1	-58.8	-63.6	0	0	0	110.3	S97 I193 G194 L199 M200 L201	S97-D197 WeakPolarHBondContact OG-CA 3.21Å; S97-D197 WeakPolarHBondContact OG-CB 2.95Å; S97-D197 PolarHBondContact OG-OD1 3.31Å; I193-D197 HydrophobicContact CD1-CB 4.25Å; I193-D197 HydrophobicContact CG1-CB 3.61Å; G194-D197 WeakPolarHBondContact CA-OD2 3.39Å; G194-D197 PolarHBondContact N-OD2 3.04Å; G194-D197 WeakPolarHBondContact O-CB 3.17Å; G194-D197 PolarHBondContact O-N 3.34Å; G194-D197 VanDerWaalsContact O-N 3.08Å; D197-L199 VanDerWaalsContact C-N 3.33Å; D197-L199 PolarHBondContact O-N 3.25Å; D197-M200 WeakPolarHBondContact O-CB 3.49Å; D197-M200 PolarHBondContact O-N 3.01Å; D197-M200 VanDerWaalsContact O-N 3.15Å; D197-L201 WeakPolarHBondContact O-CG 3.33Å; D197-L201 PolarHBondContact O-N 3.24Å
198	L	53.5	Low	48.4	Very low	19 Å²	19	47.2 Å²	47.2	10%	0.099	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-44.3	178.5	-174.9	68.1	0	0	0	111.7	I118 I145 F148 I193 G194 L201 L202	I118-L198 HydrophobicContact CD1-CD1 4.41Å; I145-L198 HydrophobicContact CD1-CD1 3.7Å; I145-L198 HydrophobicContact CG1-CD1 3.68Å; F148-L198 HydrophobicContact CB-CD1 4.14Å; I193-L198 HydrophobicContact CD1-CB 4.33Å; I193-L198 HydrophobicContact CD1-CD1 4.3Å; I193-L198 HydrophobicContact CG1-CB 4.47Å; G194-L198 PolarHBondContact O-N 2.95Å; L198-L201 PolarHBondContact O-N 2.88Å; L198-L202 HydrophobicContact CD1-CD1 4.01Å; L198-L202 HydrophobicContact CD2-CD1 4.46Å; L198-L202 HydrophobicContact CG-CD1 3.77Å; L198-L202 WeakPolarHBondContact O-CB 3.43Å; L198-L202 WeakPolarHBondContact O-CD1 3.37Å; L198-L202 WeakPolarHBondContact O-CG 3.34Å; L198-L202 PolarHBondContact O-N 3.18Å
199	L	52	Low	50	Low	46 Å²	46	49.2 Å²	49.2	24%	0.241	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-39.5	175.7	-74.2	170.2	0	0	0	112.1	S195 S196 D197 L202 R203 L236 F239	S195-L199 WeakPolarHBondContact O-CB 3.43Å; S195-L199 WeakPolarHBondContact O-CD1 3.36Å; S195-L199 WeakPolarHBondContact O-CG 3.48Å; S195-L199 PolarHBondContact O-N 3.4Å; S196-L199 PolarHBondContact O-N 3.13Å; D197-L199 VanDerWaalsContact C-N 3.33Å; D197-L199 PolarHBondContact O-N 3.25Å; L199-L202 PolarHBondContact O-N 3.34Å; L199-R203 WeakPolarHBondContact O-CB 3.44Å; L199-R203 PolarHBondContact O-N 3.41Å; L199-L236 HydrophobicContact CD2-CD1 4.29Å; L199-F239 HydrophobicContact CD2-CB 3.63Å; L199-F239 HydrophobicContact CD2-CD1 4.16Å; L199-F239 HydrophobicContact CD2-CD2 4.27Å; L199-F239 HydrophobicContact CD2-CG 3.74Å
200	M	54.1	Low	51.6	Low	69 Å²	69	48 Å²	48	34%	0.34	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-45.4	175.1	-72.8	-121.7	61.7	0	0	111.4	S196 D197 L202 R203	S196-M200 WeakPolarHBondContact O-CB 3.49Å; S196-M200 VanDerWaalsContact O-CG 3.24Å; S196-M200 WeakPolarHBondContact O-CG 3.32Å; S196-M200 PolarHBondContact O-N 3.47Å; D197-M200 WeakPolarHBondContact O-CB 3.49Å; D197-M200 PolarHBondContact O-N 3.01Å; D197-M200 VanDerWaalsContact O-N 3.15Å; M200-L202 VanDerWaalsContact C-N 3.35Å; M200-L202 PolarHBondContact O-N 3.4Å; M200-R203 PolarHBondContact O-N 3.37Å
201	L	57.5	Low	52.9	Low	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-40.5	178.2	-64.5	178.6	0	0	0	112.1	A95 A111 I118 I193 D197 L198 R203	A95-L201 HydrophobicContact CB-CB 4.27Å; A95-L201 HydrophobicContact CB-CD2 3.72Å; A95-L201 WeakPolarHBondContact CB-O 3.48Å; A111-L201 HydrophobicContact CB-CB 4.18Å; A111-L201 HydrophobicContact CB-CD1 4.44Å; A111-L201 HydrophobicContact CB-CD2 3.93Å; A111-L201 HydrophobicContact CB-CG 4.39Å; I118-L201 HydrophobicContact CD1-CD1 3.7Å; I118-L201 HydrophobicContact CG1-CD1 3.96Å; I118-L201 HydrophobicContact CG2-CD1 4.12Å; I193-L201 HydrophobicContact CD1-CD1 3.67Å; D197-L201 WeakPolarHBondContact O-CG 3.33Å; D197-L201 PolarHBondContact O-N 3.24Å; L198-L201 PolarHBondContact O-N 2.88Å; L201-R203 VanDerWaalsContact C-N 3.32Å
202	L	58.1	Low	54	Low	1 Å²	1	51 Å²	51	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-71.7	-28.8	178.5	-76.3	161.4	0	0	0	112.5	L116 I145 I149 L198 L199 M200 V204 W205 I206 L236 F239	L116-L202 HydrophobicContact CD2-CD2 3.68Å; L116-L202 HydrophobicContact CD2-CG 4.41Å; I145-L202 HydrophobicContact CD1-CD1 4Å; I145-L202 HydrophobicContact CD1-CD2 3.61Å; I145-L202 HydrophobicContact CD1-CG 3.55Å; I145-L202 HydrophobicContact CG1-CD2 4.33Å; I145-L202 HydrophobicContact CG1-CG 4.48Å; I145-L202 HydrophobicContact CG2-CD2 4.43Å; I149-L202 HydrophobicContact CD1-CD1 3.84Å; I149-L202 HydrophobicContact CD1-CD2 3.96Å; I149-L202 HydrophobicContact CG1-CD1 4.24Å; L198-L202 HydrophobicContact CD1-CD1 4.01Å; L198-L202 HydrophobicContact CD2-CD1 4.46Å; L198-L202 HydrophobicContact CG-CD1 3.77Å; L198-L202 WeakPolarHBondContact O-CB 3.43Å; L198-L202 WeakPolarHBondContact O-CD1 3.37Å; L198-L202 WeakPolarHBondContact O-CG 3.34Å; L198-L202 PolarHBondContact O-N 3.18Å; L199-L202 PolarHBondContact O-N 3.34Å; M200-L202 VanDerWaalsContact C-N 3.35Å; M200-L202 PolarHBondContact O-N 3.4Å; L202-V204 VanDerWaalsContact C-N 3.3Å; L202-V204 PolarHBondContact O-N 3.44Å; L202-W205 HydrophobicContact CD2-CE3 3.73Å; L202-W205 HydrophobicContact CD2-CZ3 3.89Å; L202-W205 PolarHBondContact O-N 2.9Å; L202-I206 HydrophobicContact CB-CD1 4.38Å; L202-I206 VanDerWaalsContact O-CG1 3.3Å; L202-I206 WeakPolarHBondContact O-CG1 3.42Å; L202-I206 PolarHBondContact O-N 2.87Å; L202-L236 HydrophobicContact CB-CD1 4.44Å; L202-L236 HydrophobicContact CD1-CD1 3.33Å; L202-L236 HydrophobicContact CD1-CD2 3.69Å; L202-L236 HydrophobicContact CD1-CG 4.17Å; L202-L236 HydrophobicContact CG-CD1 4.35Å; L202-F239 HydrophobicContact CB-CD1 4.45Å; L202-F239 HydrophobicContact CB-CE1 4.19Å
203	R	54.2	Low	55.1	Low	131 Å²	131	50 Å²	50	49%	0.494	25%	0.251	S	S	.	.	H	α-helix	trans	-60.2	-38.3	-176.5	-179.7	170.2	-175.7	-165.6	0.8	113.7	L199 M200 L201 F207 F239	L199-R203 WeakPolarHBondContact O-CB 3.44Å; L199-R203 PolarHBondContact O-N 3.41Å; M200-R203 PolarHBondContact O-N 3.37Å; L201-R203 VanDerWaalsContact C-N 3.32Å; R203-F207 HydrophobicContact CG-CE2 4.48Å; R203-F207 WeakPolarHBondContact O-CD2 3.29Å; R203-F207 WeakPolarHBondContact O-CE2 3.39Å; R203-F239 HydrophobicContact CB-CE1 4.11Å; R203-F239 HydrophobicContact CB-CE2 4.17Å; R203-F239 HydrophobicContact CB-CZ 3.4Å; R203-F239 HydrophobicContact CG-CE2 4.24Å; R203-F239 HydrophobicContact CG-CZ 3.71Å
204	V	53.7	Low	55.8	Low	44 Å²	44	50.5 Å²	50.5	27%	0.267	25%	0.252	S	S	.	.	H	α-helix	trans	-81.5	-39.4	178.2	-171.8	0	0	0	0	111.2	R37 T94 A95 L202 F207	R37-V204 HydrophobicContact CB-CG1 4.43Å; T94-V204 VanDerWaalsContact O-CB 3.24Å; T94-V204 WeakPolarHBondContact O-CB 3.48Å; T94-V204 WeakPolarHBondContact O-CG1 3.18Å; A95-V204 HydrophobicContact CB-CB 4.18Å; A95-V204 HydrophobicContact CB-CG2 4.21Å; L202-V204 VanDerWaalsContact C-N 3.3Å; L202-V204 PolarHBondContact O-N 3.44Å; V204-F207 PolarHBondContact O-N 3.47Å
205	W	58.4	Low	56.6	Low	4 Å²	4	50 Å²	50	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-37.6	-175.4	173.7	75.3	0	0	0	114.4	L116 L202 F207 T208 G211 F214 V215	L116-W205 HydrophobicContact CB-CD2 3.84Å; L116-W205 HydrophobicContact CB-CG 3.94Å; L116-W205 HydrophobicContact CB-CZ2 3.9Å; L116-W205 HydrophobicContact CD1-CB 3.49Å; L116-W205 VanDerWaalsContact CD1-CB 3.49Å; L116-W205 HydrophobicContact CD1-CD2 4.22Å; L116-W205 HydrophobicContact CD1-CG 3.46Å; L116-W205 VanDerWaalsContact CD1-CG 3.46Å; L116-W205 HydrophobicContact CD2-CB 3.55Å; L116-W205 HydrophobicContact CD2-CD2 3.5Å; L116-W205 VanDerWaalsContact CD2-CD2 3.5Å; L116-W205 HydrophobicContact CD2-CE3 3.68Å; L116-W205 HydrophobicContact CD2-CG 3.48Å; L116-W205 VanDerWaalsContact CD2-CG 3.48Å; L116-W205 HydrophobicContact CD2-CZ3 4.35Å; L116-W205 HydrophobicContact CG-CB 4.12Å; L116-W205 HydrophobicContact CG-CD2 4.04Å; L116-W205 HydrophobicContact CG-CG 3.81Å; L202-W205 HydrophobicContact CD2-CE3 3.73Å; L202-W205 HydrophobicContact CD2-CZ3 3.89Å; L202-W205 PolarHBondContact O-N 2.9Å; W205-F207 PolarHBondContact O-N 2.88Å; W205-T208 PolarHBondContact O-N 3.22Å; W205-T208 PolarHBondContact O-OG1 2.95Å; W205-G211 VanDerWaalsContact CZ2-CA 3.48Å; W205-G211 WeakPolarHBondContact O-CA 3.34Å; W205-F214 HydrophobicContact CH2-CB 3.55Å; W205-F214 AromaticContact CH2-CD1 3.32Å; W205-F214 HydrophobicContact CH2-CD1 3.32Å; W205-F214 HydrophobicContact CH2-CD2 4.25Å; W205-F214 HydrophobicContact CH2-CE1 4.01Å; W205-F214 AromaticContact CH2-CG 3.45Å; W205-F214 HydrophobicContact CH2-CG 3.45Å; W205-F214 VanDerWaalsContact CH2-CG 3.45Å; W205-F214 HydrophobicContact CZ2-CB 3.77Å; W205-F214 HydrophobicContact CZ2-CD1 4.3Å; W205-F214 AromaticContact CZ2-CG 3.99Å; W205-F214 HydrophobicContact CZ2-CG 3.99Å; W205-F214 HydrophobicContact CZ3-CD1 4.01Å; W205-F214 HydrophobicContact CZ3-CG 4.5Å; W205-V215 HydrophobicContact CZ3-CG2 4.02Å
206	I	56.3	Low	57.3	Low	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.7	179.5	-65.8	-179.2	0	0	0	111.3	L202 R212 V215 F239 C240 I243 F244	L202-I206 HydrophobicContact CB-CD1 4.38Å; L202-I206 VanDerWaalsContact O-CG1 3.3Å; L202-I206 WeakPolarHBondContact O-CG1 3.42Å; L202-I206 PolarHBondContact O-N 2.87Å; I206-R212 WeakPolarHBondContact O-CG 3.39Å; I206-V215 HydrophobicContact CD1-CG2 4.09Å; I206-V215 HydrophobicContact CG1-CG2 3.97Å; I206-V215 HydrophobicContact CG2-CG2 4.45Å; I206-F239 HydrophobicContact CD1-CD1 3.78Å; I206-F239 HydrophobicContact CD1-CE1 3.7Å; I206-C240 HydrophobicContact CD1-CB 4.49Å; I206-C240 VanDerWaalsContact CD1-SG 3.56Å; I206-I243 HydrophobicContact CB-CD1 3.85Å; I206-I243 HydrophobicContact CD1-CD1 4.07Å; I206-I243 HydrophobicContact CG2-CB 4.06Å; I206-I243 HydrophobicContact CG2-CD1 3.68Å; I206-I243 HydrophobicContact CG2-CG1 4.48Å; I206-I243 HydrophobicContact CG2-CG2 3.63Å; I206-F244 HydrophobicContact CG2-CE2 4.31Å
207	F	54.1	Low	58.1	Low	106 Å²	106	55.1 Å²	55.1	47%	0.465	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-7.8	173.3	-63.7	-69.2	0	0	0	114.8	R203 V204 W205 R212 I243	R203-F207 HydrophobicContact CG-CE2 4.48Å; R203-F207 WeakPolarHBondContact O-CD2 3.29Å; R203-F207 WeakPolarHBondContact O-CE2 3.39Å; V204-F207 PolarHBondContact O-N 3.47Å; W205-F207 PolarHBondContact O-N 2.88Å; F207-R212 PolarHBondContact O-NH1 3.19Å; F207-I243 HydrophobicContact CD1-CG2 4.22Å; F207-I243 HydrophobicContact CE1-CG1 4.5Å; F207-I243 HydrophobicContact CE1-CG2 3.67Å; F207-I243 HydrophobicContact CE2-CD1 4.24Å; F207-I243 HydrophobicContact CZ-CD1 4.12Å; F207-I243 HydrophobicContact CZ-CG1 4.01Å; F207-I243 HydrophobicContact CZ-CG2 4.04Å
208	T	56.4	Low	58.5	Low	12 Å²	12	55.5 Å²	55.5	7%	0.074	26%	0.26	C	S	.	.	S	Bend	trans	-77.3	160.3	169.4	84.8	0	0	0	0	110.5	T94 W205 E210 G211 R212	T94-T208 HydrophobicContact CG2-CG2 4.38Å; W205-T208 PolarHBondContact O-N 3.22Å; W205-T208 PolarHBondContact O-OG1 2.95Å; T208-E210 VanDerWaalsContact C-N 3.3Å; T208-E210 VanDerWaalsContact CB-OE2 3.26Å; T208-E210 WeakPolarHBondContact CB-OE2 3.45Å; T208-E210 PolarHBondContact O-N 3.47Å; T208-E210 PolarHBondContact OG1-OE2 3.21Å; T208-G211 PolarHBondContact O-N 2.66Å; T208-G211 PolarHBondContact OG1-N 3.27Å; T208-R212 WeakPolarHBondContact O-CG 3.06Å; T208-R212 PolarHBondContact O-N 3.03Å
209	E	60.3	Low	59.2	Low	137 Å²	137	55.5 Å²	55.5	64%	0.64	26%	0.26	S	S	*	.	H	α-helix	trans	-60.9	-43.1	178.6	-173.3	173.7	173.7	0	0	111.3	G211 R212 V213	E209-G211 PolarHBondContact O-N 3.42Å; E209-R212 PolarHBondContact O-N 2.91Å; E209-V213 VanDerWaalsContact O-CG2 3.3Å; E209-V213 WeakPolarHBondContact O-CG2 3.48Å; E209-V213 PolarHBondContact O-N 2.95Å
210	E	61	Low	59.8	Low	98 Å²	98	56.2 Å²	56.2	46%	0.458	27%	0.272	S	S	.	.	H	α-helix	trans	-64.8	-40.9	178.1	-52.3	80.1	-177.1	0	0	111.7	T208 V213 F214	T208-E210 VanDerWaalsContact C-N 3.3Å; T208-E210 VanDerWaalsContact CB-OE2 3.26Å; T208-E210 WeakPolarHBondContact CB-OE2 3.45Å; T208-E210 PolarHBondContact O-N 3.47Å; T208-E210 PolarHBondContact OG1-OE2 3.21Å; E210-V213 PolarHBondContact O-N 3.22Å; E210-F214 VanDerWaalsContact O-CB 3.28Å; E210-F214 WeakPolarHBondContact O-CB 3.31Å; E210-F214 PolarHBondContact O-N 3.17Å
211	G	61.1	Low	60.4	Low	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.5	-42.6	176.5	0	0	0	0	0	113	W205 T208 E209 F214 V215	W205-G211 VanDerWaalsContact CZ2-CA 3.48Å; W205-G211 WeakPolarHBondContact O-CA 3.34Å; T208-G211 PolarHBondContact O-N 2.66Å; T208-G211 PolarHBondContact OG1-N 3.27Å; E209-G211 PolarHBondContact O-N 3.42Å; G211-F214 PolarHBondContact O-N 2.88Å; G211-V215 WeakPolarHBondContact O-CB 3.49Å; G211-V215 WeakPolarHBondContact O-CG2 3.46Å; G211-V215 PolarHBondContact O-N 3.04Å
212	R	61	Low	60.6	Low	125 Å²	125	58.3 Å²	58.3	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-61	-48.4	172.4	-72.3	-167.7	-70.6	-95.5	-4.1	111.9	I206 F207 T208 E209 F214 V215 S216 F244	I206-R212 WeakPolarHBondContact O-CG 3.39Å; F207-R212 PolarHBondContact O-NH1 3.19Å; T208-R212 WeakPolarHBondContact O-CG 3.06Å; T208-R212 PolarHBondContact O-N 3.03Å; E209-R212 PolarHBondContact O-N 2.91Å; R212-F214 PolarHBondContact O-N 3.19Å; R212-V215 PolarHBondContact O-N 3.06Å; R212-S216 WeakPolarHBondContact O-CB 3.49Å; R212-S216 PolarHBondContact O-N 2.81Å; R212-F244 WeakPolarHBondContact O-CZ 3.41Å
213	V	63.9	Low	61	Low	88 Å²	88	60.3 Å²	60.3	53%	0.533	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-44.1	179.7	171.5	0	0	0	0	111	E209 E210 R217	E209-V213 VanDerWaalsContact O-CG2 3.3Å; E209-V213 WeakPolarHBondContact O-CG2 3.48Å; E209-V213 PolarHBondContact O-N 2.95Å; E210-V213 PolarHBondContact O-N 3.22Å; V213-R217 VanDerWaalsContact O-CB 3.31Å; V213-R217 WeakPolarHBondContact O-CB 3.23Å; V213-R217 PolarHBondContact O-N 2.81Å
214	F	62.6	Low	61.7	Low	34 Å²	34	60.3 Å²	60.3	15%	0.149	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-53.2	177.4	177.8	-81.5	0	0	0	111.2	F150 W205 E210 G211 R212 S216 R217 E218	F150-F214 HydrophobicContact CD2-CZ 4.19Å; F150-F214 AromaticContact CE2-CE1 3.46Å; F150-F214 HydrophobicContact CE2-CE1 3.46Å; F150-F214 VanDerWaalsContact CE2-CE1 3.46Å; F150-F214 AromaticContact CE2-CZ 3.49Å; F150-F214 HydrophobicContact CE2-CZ 3.49Å; F150-F214 VanDerWaalsContact CE2-CZ 3.49Å; F150-F214 AromaticContact CZ-CE1 3.79Å; F150-F214 HydrophobicContact CZ-CE1 3.79Å; F150-F214 HydrophobicContact CZ-CZ 4.12Å; W205-F214 HydrophobicContact CH2-CB 3.55Å; W205-F214 AromaticContact CH2-CD1 3.32Å; W205-F214 HydrophobicContact CH2-CD1 3.32Å; W205-F214 HydrophobicContact CH2-CD2 4.25Å; W205-F214 HydrophobicContact CH2-CE1 4.01Å; W205-F214 AromaticContact CH2-CG 3.45Å; W205-F214 HydrophobicContact CH2-CG 3.45Å; W205-F214 VanDerWaalsContact CH2-CG 3.45Å; W205-F214 HydrophobicContact CZ2-CB 3.77Å; W205-F214 HydrophobicContact CZ2-CD1 4.3Å; W205-F214 AromaticContact CZ2-CG 3.99Å; W205-F214 HydrophobicContact CZ2-CG 3.99Å; W205-F214 HydrophobicContact CZ3-CD1 4.01Å; W205-F214 HydrophobicContact CZ3-CG 4.5Å; E210-F214 VanDerWaalsContact O-CB 3.28Å; E210-F214 WeakPolarHBondContact O-CB 3.31Å; E210-F214 PolarHBondContact O-N 3.17Å; G211-F214 PolarHBondContact O-N 2.88Å; R212-F214 PolarHBondContact O-N 3.19Å; F214-S216 VanDerWaalsContact C-N 3.31Å; F214-S216 PolarHBondContact O-N 3.3Å; F214-R217 PolarHBondContact O-N 2.74Å; F214-E218 HydrophobicContact CD1-CB 4.49Å; F214-E218 HydrophobicContact CD1-CG 3.99Å; F214-E218 HydrophobicContact CD2-CG 4.31Å; F214-E218 HydrophobicContact CE1-CB 4.2Å; F214-E218 HydrophobicContact CE1-CG 3.67Å; F214-E218 HydrophobicContact CE2-CG 3.99Å; F214-E218 HydrophobicContact CG-CG 4.32Å; F214-E218 HydrophobicContact CZ-CG 3.66Å; F214-E218 WeakPolarHBondContact O-CB 2.79Å; F214-E218 WeakPolarHBondContact O-CG 3.44Å; F214-E218 PolarHBondContact O-N 3.26Å
215	V	61.4	Low	62.4	Low	4 Å²	4	62.9 Å²	62.9	2%	0.024	31%	0.308	C	S	.	.	H	α-helix	trans	-64.1	-41.2	-177.3	176.4	0	0	0	0	109.9	W205 I206 G211 R212 R217 E218 L219 C240 F244	W205-V215 HydrophobicContact CZ3-CG2 4.02Å; I206-V215 HydrophobicContact CD1-CG2 4.09Å; I206-V215 HydrophobicContact CG1-CG2 3.97Å; I206-V215 HydrophobicContact CG2-CG2 4.45Å; G211-V215 WeakPolarHBondContact O-CB 3.49Å; G211-V215 WeakPolarHBondContact O-CG2 3.46Å; G211-V215 PolarHBondContact O-N 3.04Å; R212-V215 PolarHBondContact O-N 3.06Å; V215-R217 PolarHBondContact O-N 3.41Å; V215-E218 CarbonylContact O-C 3.54Å; V215-E218 PolarHBondContact O-N 3.06Å; V215-L219 HydrophobicContact CG1-CD1 4.37Å; V215-L219 WeakPolarHBondContact O-CA 3.29Å; V215-L219 WeakPolarHBondContact O-CB 3.45Å; V215-L219 PolarHBondContact O-N 3.5Å; V215-C240 HydrophobicContact CG1-CB 3.79Å; V215-F244 HydrophobicContact CB-CE2 3.43Å; V215-F244 VanDerWaalsContact CB-CE2 3.43Å; V215-F244 HydrophobicContact CB-CZ 3.69Å; V215-F244 HydrophobicContact CG1-CD2 3.86Å; V215-F244 HydrophobicContact CG1-CE2 3.13Å; V215-F244 HydrophobicContact CG1-CZ 3.73Å; V215-F244 HydrophobicContact CG2-CE2 4.39Å
216	S	63.5	Low	62.5	Low	71 Å²	71	63.4 Å²	63.4	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-56.3	-47.9	174.7	179.2	0	0	0	0	112	R212 F214 E218 L219	R212-S216 WeakPolarHBondContact O-CB 3.49Å; R212-S216 PolarHBondContact O-N 2.81Å; F214-S216 VanDerWaalsContact C-N 3.31Å; F214-S216 PolarHBondContact O-N 3.3Å; S216-E218 VanDerWaalsContact C-N 3.35Å; S216-E218 PolarHBondContact O-N 3.37Å; S216-L219 PolarHBondContact O-N 3.19Å
217	R	64	Low	62.5	Low	157 Å²	157	66.4 Å²	66.4	59%	0.592	33%	0.327	S	S	*	.	H	α-helix	trans	-64	-38.3	178.1	-172.4	-176.8	73.6	-164.8	-3.2	112.8	V213 F214 V215	V213-R217 VanDerWaalsContact O-CB 3.31Å; V213-R217 WeakPolarHBondContact O-CB 3.23Å; V213-R217 PolarHBondContact O-N 2.81Å; F214-R217 PolarHBondContact O-N 2.74Å; V215-R217 PolarHBondContact O-N 3.41Å
218	E	62.6	Low	62.8	Low	20 Å²	20	68 Å²	68	9%	0.093	34%	0.336	C	S	.	.	H	α-helix	trans	-90.1	-12.5	-177.7	-58.8	-55.1	127.2	0	0	112.9	F150 F214 V215 S216 A220 K221 L222	F150-E218 HydrophobicContact CE1-CB 4.03Å; F150-E218 HydrophobicContact CZ-CB 3.81Å; F150-E218 HydrophobicContact CZ-CG 4.21Å; F214-E218 HydrophobicContact CD1-CB 4.49Å; F214-E218 HydrophobicContact CD1-CG 3.99Å; F214-E218 HydrophobicContact CD2-CG 4.31Å; F214-E218 HydrophobicContact CE1-CB 4.2Å; F214-E218 HydrophobicContact CE1-CG 3.67Å; F214-E218 HydrophobicContact CE2-CG 3.99Å; F214-E218 HydrophobicContact CG-CG 4.32Å; F214-E218 HydrophobicContact CZ-CG 3.66Å; F214-E218 WeakPolarHBondContact O-CB 2.79Å; F214-E218 WeakPolarHBondContact O-CG 3.44Å; F214-E218 PolarHBondContact O-N 3.26Å; V215-E218 CarbonylContact O-C 3.54Å; V215-E218 PolarHBondContact O-N 3.06Å; S216-E218 VanDerWaalsContact C-N 3.35Å; S216-E218 PolarHBondContact O-N 3.37Å; E218-A220 PolarHBondContact O-N 3.11Å; E218-K221 VanDerWaalsContact CD-NZ 3.27Å; E218-K221 CarbonylContact O-C 3.48Å; E218-K221 WeakPolarHBondContact O-CA 3.43Å; E218-K221 WeakPolarHBondContact O-CB 3.43Å; E218-K221 PolarHBondContact O-N 3.1Å; E218-K221 IonicContact OE1-NZ 3.3Å; E218-K221 PolarHBondContact OE1-NZ 3.45Å; E218-K221 WeakPolarHBondContact OE2-CD 3.34Å; E218-K221 WeakPolarHBondContact OE2-CE 3.44Å; E218-K221 IonicContact OE2-NZ 2.75Å; E218-K221 PolarHBondContact OE2-NZ 3.3Å; E218-L222 WeakPolarHBondContact O-CG 3.24Å; E218-L222 PolarHBondContact O-N 2.94Å
219	L	66.8	Low	62.9	Low	19 Å²	19	69.3 Å²	69.3	10%	0.099	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-48.1	-173.7	-165.9	64.9	0	0	0	110.2	V215 S216 K221 L222 T223 L237 L241 M258	V215-L219 HydrophobicContact CG1-CD1 4.37Å; V215-L219 WeakPolarHBondContact O-CA 3.29Å; V215-L219 WeakPolarHBondContact O-CB 3.45Å; V215-L219 PolarHBondContact O-N 3.5Å; S216-L219 PolarHBondContact O-N 3.19Å; L219-K221 PolarHBondContact O-N 3.4Å; L219-K221 VanDerWaalsContact O-N 3.1Å; L219-L222 HydrophobicContact CD1-CD1 4.38Å; L219-L222 WeakPolarHBondContact O-CA 3.45Å; L219-L222 WeakPolarHBondContact O-CB 3.48Å; L219-L222 PolarHBondContact O-N 2.82Å; L219-T223 HydrophobicContact CD1-CG2 4.17Å; L219-T223 HydrophobicContact CG-CG2 4.07Å; L219-T223 VanDerWaalsContact O-CG2 3.27Å; L219-T223 WeakPolarHBondContact O-CG2 3.35Å; L219-T223 PolarHBondContact O-N 3.38Å; L219-T223 PolarHBondContact O-OG1 3.33Å; L219-L237 HydrophobicContact CD1-CD1 3.92Å; L219-L241 HydrophobicContact CD1-CD2 3.8Å; L219-L241 HydrophobicContact CD1-CG 4.24Å; L219-L241 HydrophobicContact CD2-CD2 4.14Å; L219-L241 HydrophobicContact CG-CD2 4.37Å; L219-M258 HydrophobicContact CD2-CG 3.87Å; L219-M258 HydrophobicContact CD2-SD 3.7Å
220	A	65.9	Low	62.8	Low	61 Å²	61	64.3 Å²	64.3	50%	0.504	32%	0.32	S	S	.	.	H	α-helix	trans	-59.9	-24.4	176.9	0	0	0	0	0	113.6	E218 K224	E218-A220 PolarHBondContact O-N 3.11Å; A220-K224 WeakPolarHBondContact O-CD 3.46Å; A220-K224 VanDerWaalsContact O-CG 3.24Å; A220-K224 WeakPolarHBondContact O-CG 3.28Å
221	K	66.1	Low	62.5	Low	108 Å²	108	62.2 Å²	62.2	47%	0.47	31%	0.309	S	S	.	.	H	α-helix	trans	-84.4	-38.5	172.9	-59.1	174.7	-165.5	162.7	0	110.9	E218 L219 T223 K224 R229	E218-K221 VanDerWaalsContact CD-NZ 3.27Å; E218-K221 CarbonylContact O-C 3.48Å; E218-K221 WeakPolarHBondContact O-CA 3.43Å; E218-K221 WeakPolarHBondContact O-CB 3.43Å; E218-K221 PolarHBondContact O-N 3.1Å; E218-K221 IonicContact OE1-NZ 3.3Å; E218-K221 PolarHBondContact OE1-NZ 3.45Å; E218-K221 WeakPolarHBondContact OE2-CD 3.34Å; E218-K221 WeakPolarHBondContact OE2-CE 3.44Å; E218-K221 IonicContact OE2-NZ 2.75Å; E218-K221 PolarHBondContact OE2-NZ 3.3Å; L219-K221 PolarHBondContact O-N 3.4Å; L219-K221 VanDerWaalsContact O-N 3.1Å; K221-T223 VanDerWaalsContact C-N 3.3Å; K221-T223 PolarHBondContact O-N 2.86Å; K221-K224 PolarHBondContact O-N 2.89Å; K221-R229 PolarHBondContact O-NH2 2.8Å
222	L	61.9	Low	62.1	Low	4 Å²	4	66.2 Å²	66.2	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-60.7	-41	176	-74.4	170.1	0	0	0	111.8	I149 F150 E218 L219 K224 L237	I149-L222 HydrophobicContact CG2-CD2 4.43Å; F150-L222 HydrophobicContact CD1-CD2 3.78Å; F150-L222 HydrophobicContact CD1-CG 4.47Å; F150-L222 HydrophobicContact CE1-CD1 4.05Å; F150-L222 HydrophobicContact CE1-CD2 3.04Å; F150-L222 HydrophobicContact CE1-CG 3.42Å; F150-L222 VanDerWaalsContact CE1-CG 3.42Å; F150-L222 HydrophobicContact CZ-CD1 4Å; F150-L222 HydrophobicContact CZ-CD2 3.64Å; F150-L222 HydrophobicContact CZ-CG 3.91Å; E218-L222 WeakPolarHBondContact O-CG 3.24Å; E218-L222 PolarHBondContact O-N 2.94Å; L219-L222 HydrophobicContact CD1-CD1 4.38Å; L219-L222 WeakPolarHBondContact O-CA 3.45Å; L219-L222 WeakPolarHBondContact O-CB 3.48Å; L219-L222 PolarHBondContact O-N 2.82Å; L222-K224 VanDerWaalsContact C-N 3.31Å; L222-L237 HydrophobicContact CB-CD1 3.53Å; L222-L237 HydrophobicContact CB-CD2 4.29Å; L222-L237 HydrophobicContact CB-CG 4.46Å; L222-L237 HydrophobicContact CD1-CD1 4.02Å; L222-L237 HydrophobicContact CG-CD1 4.27Å; L222-L237 WeakPolarHBondContact O-CD2 3.25Å
223	T	66.8	Low	61.9	Low	44 Å²	44	61.4 Å²	61.4	27%	0.27	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-6.3	-176.2	61.8	0	0	0	0	113.5	L219 K221 L226 L237 C261	L219-T223 HydrophobicContact CD1-CG2 4.17Å; L219-T223 HydrophobicContact CG-CG2 4.07Å; L219-T223 VanDerWaalsContact O-CG2 3.27Å; L219-T223 WeakPolarHBondContact O-CG2 3.35Å; L219-T223 PolarHBondContact O-N 3.38Å; L219-T223 PolarHBondContact O-OG1 3.33Å; K221-T223 VanDerWaalsContact C-N 3.3Å; K221-T223 PolarHBondContact O-N 2.86Å; T223-L226 WeakPolarHBondContact O-CG 3.46Å; T223-L237 HydrophobicContact CG2-CD1 4.15Å; T223-L237 HydrophobicContact CG2-CD2 4.39Å; T223-C261 WeakPolarHBondContact CB-SG 3.36Å; T223-C261 HydrophobicContact CG2-CB 4.09Å; T223-C261 WeakPolarHBondContact CG2-SG 3.45Å
224	K	67.6	Low	61.5	Low	131 Å²	131	57.2 Å²	57.2	57%	0.57	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	146	170.6	-82.3	174.8	-176	-171.1	0	111.5	A220 K221 L222 L226	A220-K224 WeakPolarHBondContact O-CD 3.46Å; A220-K224 VanDerWaalsContact O-CG 3.24Å; A220-K224 WeakPolarHBondContact O-CG 3.28Å; K221-K224 PolarHBondContact O-N 2.89Å; L222-K224 VanDerWaalsContact C-N 3.31Å; K224-L226 PolarHBondContact O-N 2.85Å
225	D	68.2	Low	61	Low	97 Å²	97	58.4 Å²	58.4	52%	0.519	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	46.7	174.7	-53.1	-44.5	0	0	0	112.2	D227 Q228 R229	D225-D227 PolarHBondContact O-N 3.39Å; D225-Q228 HydrophobicContact CB-CB 4.3Å; D225-Q228 HydrophobicContact CB-CG 4.2Å; D225-Q228 PolarHBondContact O-N 3.35Å; D225-R229 PolarHBondContact O-N 3.01Å
226	L	61.6	Low	60.8	Low	16 Å²	16	58.6 Å²	58.6	8%	0.084	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-20.2	-178.9	-68.6	179.8	0	0	0	113.5	T223 K224 L234 L237 D264 V265	T223-L226 WeakPolarHBondContact O-CG 3.46Å; K224-L226 PolarHBondContact O-N 2.85Å; L226-L234 HydrophobicContact CD2-CD2 4.34Å; L226-L237 HydrophobicContact CD2-CD2 3.45Å; L226-L237 VanDerWaalsContact CD2-CD2 3.45Å; L226-D264 HydrophobicContact CD1-CB 3.96Å; L226-V265 HydrophobicContact CD1-CG2 4.19Å; L226-V265 HydrophobicContact CD2-CG2 3.87Å
227	D	55.8	Low	60.7	Low	63 Å²	63	55.3 Å²	55.3	34%	0.337	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-19.7	175.5	58.9	-30.3	0	0	0	115.2	D225 R323	D225-D227 PolarHBondContact O-N 3.39Å; D227-R323 IonicContact OD2-CZ 3.75Å; D227-R323 VanDerWaalsContact OD2-CZ 3.3Å; D227-R323 IonicContact OD2-NH1 3.01Å; D227-R323 PolarHBondContact OD2-NH1 3.47Å; D227-R323 IonicContact OD2-NH2 3.3Å; D227-R323 PolarHBondContact OD2-NH2 3.26Å
228	Q	61	Low	60.5	Low	140 Å²	140	52.2 Å²	52.2	65%	0.654	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-8.2	173.8	-57	-174.2	17.2	0	0	112.3	D225	D225-Q228 HydrophobicContact CB-CB 4.3Å; D225-Q228 HydrophobicContact CB-CG 4.2Å; D225-Q228 PolarHBondContact O-N 3.35Å
229	R	57.7	Low	60.2	Low	38 Å²	38	53.1 Å²	53.1	14%	0.143	26%	0.26	C	S	.	.			trans	-76.1	137.2	-179.9	-64	-66.8	-174.7	-179.4	-3.2	112.1	K221 D225 E233 L234 Y272	K221-R229 PolarHBondContact O-NH2 2.8Å; D225-R229 PolarHBondContact O-N 3.01Å; R229-E233 HydrophobicContact CB-CB 4.22Å; R229-E233 WeakPolarHBondContact CD-OE1 3.21Å; R229-E233 IonicContact CZ-OE1 2.87Å; R229-E233 IonicContact NH1-OE1 2.75Å; R229-E233 PolarHBondContact NH1-OE1 2.89Å; R229-L234 HydrophobicContact CB-CD2 4.09Å; R229-L234 HydrophobicContact CB-CG 4.11Å; R229-Y272 PolarHBondContact O-OH 2.91Å
230	S	58.2	Low	59.9	Low	32 Å²	32	52.4 Å²	52.4	22%	0.224	26%	0.257	C	S	.	.			trans	-67.1	160.3	171.4	69.2	0	0	0	0	111.9	Q232 E233 L234	S230-Q232 PolarHBondContact O-N 3.44Å; S230-E233 VanDerWaalsContact CB-OE2 3.3Å; S230-E233 WeakPolarHBondContact CB-OE2 3.19Å; S230-E233 PolarHBondContact N-OE2 3.42Å; S230-E233 PolarHBondContact O-N 2.88Å; S230-E233 WeakPolarHBondContact OG-CG 3.33Å; S230-E233 PolarHBondContact OG-N 2.69Å; S230-E233 PolarHBondContact OG-OE2 3.23Å; S230-L234 WeakPolarHBondContact O-CG 3.46Å; S230-L234 PolarHBondContact O-N 3.4Å
231	F	54.5	Low	59.8	Low	55 Å²	55	49.6 Å²	49.6	24%	0.241	23%	0.233	C	C	.	.	H	α-helix	trans	-56.1	-34.9	175.8	177.5	-113.8	0	0	0	113.4	K235 L269 Y272 H273	F231-K235 HydrophobicContact CE1-CD 4.11Å; F231-K235 VanDerWaalsContact CE1-NZ 3.33Å; F231-K235 HydrophobicContact CZ-CD 4.31Å; F231-K235 PolarHBondContact O-N 3.41Å; F231-K235 VanDerWaalsContact O-N 3.11Å; F231-L269 HydrophobicContact CD2-CD2 3.58Å; F231-L269 HydrophobicContact CE2-CD2 3.57Å; F231-Y272 HydrophobicContact CB-CD1 4.09Å; F231-Y272 HydrophobicContact CB-CD2 4.44Å; F231-Y272 HydrophobicContact CB-CE1 4.24Å; F231-Y272 HydrophobicContact CB-CG 4.19Å; F231-Y272 HydrophobicContact CD2-CD1 4.2Å; F231-Y272 AromaticContact CD2-CD2 3.93Å; F231-Y272 HydrophobicContact CD2-CD2 3.93Å; F231-Y272 AromaticContact CD2-CG 3.58Å; F231-Y272 HydrophobicContact CD2-CG 3.58Å; F231-Y272 HydrophobicContact CE2-CG 4.34Å; F231-Y272 HydrophobicContact CG-CD1 4.47Å; F231-Y272 HydrophobicContact CG-CG 4.27Å; F231-H273 AromaticContact CE2-CD2 3.88Å; F231-H273 AromaticContact CE2-NE2 3.76Å; F231-H273 AromaticContact CZ-CE1 3.6Å; F231-H273 AromaticContact CZ-NE2 3.47Å; F231-H273 WeakPolarHBondContact CZ-NE2 3.33Å
232	Q	52.5	Low	59.3	Low	83 Å²	83	47.1 Å²	47.1	39%	0.388	22%	0.224	S	C	.	.	H	α-helix	trans	-71	-44.1	179	-65.5	-176.4	7.5	0	0	111.7	A157 S230 L234 K235 L236	A157-Q232 VanDerWaalsContact O-CD 3.32Å; A157-Q232 PolarHBondContact O-NE2 2.77Å; A157-Q232 PolarHBondContact O-OE1 3Å; S230-Q232 PolarHBondContact O-N 3.44Å; Q232-L234 VanDerWaalsContact C-N 3.28Å; Q232-L234 PolarHBondContact O-N 2.93Å; Q232-K235 PolarHBondContact O-N 3.13Å; Q232-L236 PolarHBondContact O-N 3.41Å; Q232-L236 VanDerWaalsContact O-N 3.11Å
233	E	57.3	Low	58.9	Low	24 Å²	24	47.5 Å²	47.5	11%	0.112	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-40.6	175.3	-72.1	167.9	109.1	0	0	111.3	R229 S230 L236 L237	R229-E233 HydrophobicContact CB-CB 4.22Å; R229-E233 WeakPolarHBondContact CD-OE1 3.21Å; R229-E233 IonicContact CZ-OE1 2.87Å; R229-E233 IonicContact NH1-OE1 2.75Å; R229-E233 PolarHBondContact NH1-OE1 2.89Å; S230-E233 VanDerWaalsContact CB-OE2 3.3Å; S230-E233 WeakPolarHBondContact CB-OE2 3.19Å; S230-E233 PolarHBondContact N-OE2 3.42Å; S230-E233 PolarHBondContact O-N 2.88Å; S230-E233 WeakPolarHBondContact OG-CG 3.33Å; S230-E233 PolarHBondContact OG-N 2.69Å; S230-E233 PolarHBondContact OG-OE2 3.23Å; E233-L236 PolarHBondContact O-N 3.4Å; E233-L237 VanDerWaalsContact O-CB 3.32Å; E233-L237 WeakPolarHBondContact O-CB 3.48Å; E233-L237 PolarHBondContact O-N 3.45Å
234	L	55.8	Low	58.6	Low	1 Å²	1	46.3 Å²	46.3	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-65.5	-39.3	176.5	-69.7	174	0	0	0	112.8	L226 R229 S230 Q232 L236 L237 R238 V265 R268 L269 Y272	L226-L234 HydrophobicContact CD2-CD2 4.34Å; R229-L234 HydrophobicContact CB-CD2 4.09Å; R229-L234 HydrophobicContact CB-CG 4.11Å; S230-L234 WeakPolarHBondContact O-CG 3.46Å; S230-L234 PolarHBondContact O-N 3.4Å; Q232-L234 VanDerWaalsContact C-N 3.28Å; Q232-L234 PolarHBondContact O-N 2.93Å; L234-L236 VanDerWaalsContact C-N 3.29Å; L234-L236 PolarHBondContact O-N 3.32Å; L234-L237 PolarHBondContact O-N 3.35Å; L234-R238 WeakPolarHBondContact O-CB 3.38Å; L234-R238 PolarHBondContact O-N 3.47Å; L234-V265 HydrophobicContact CB-CG1 4.22Å; L234-V265 HydrophobicContact CD2-CG1 4.1Å; L234-V265 HydrophobicContact CD2-CG2 4.23Å; L234-V265 WeakPolarHBondContact O-CG1 3.29Å; L234-R268 HydrophobicContact CD1-CB 3.84Å; L234-L269 HydrophobicContact CB-CD2 3.7Å; L234-L269 HydrophobicContact CB-CG 3.95Å; L234-Y272 HydrophobicContact CD1-CD2 4.01Å; L234-Y272 HydrophobicContact CD1-CE2 3.57Å
235	K	52.6	Low	58.3	Low	59 Å²	59	42.1 Å²	42.1	26%	0.257	20%	0.202	S	C	.	.	H	α-helix	trans	-60.4	-44.3	175.6	-82.1	-173.5	173	176.4	0	111.4	F231 Q232 R238 F239 L269	F231-K235 HydrophobicContact CE1-CD 4.11Å; F231-K235 VanDerWaalsContact CE1-NZ 3.33Å; F231-K235 HydrophobicContact CZ-CD 4.31Å; F231-K235 PolarHBondContact O-N 3.41Å; F231-K235 VanDerWaalsContact O-N 3.11Å; Q232-K235 PolarHBondContact O-N 3.13Å; K235-R238 PolarHBondContact O-N 3.21Å; K235-F239 PolarHBondContact O-N 3.31Å; K235-L269 HydrophobicContact CB-CD2 4.49Å; K235-L269 HydrophobicContact CG-CD1 4.44Å; K235-L269 HydrophobicContact CG-CD2 3.66Å
236	L	55.7	Low	57.6	Low	7 Å²	7	44.2 Å²	44.2	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-68.6	-41.5	177.5	175	53.6	0	0	0	111.6	I149 L199 L202 Q232 E233 L234 R238 F239 C240	I149-L236 HydrophobicContact CB-CD2 3.8Å; I149-L236 HydrophobicContact CD1-CD2 3.69Å; I149-L236 HydrophobicContact CG1-CD2 3.35Å; I149-L236 HydrophobicContact CG2-CD2 3.29Å; I149-L236 HydrophobicContact CG2-CG 4.39Å; L199-L236 HydrophobicContact CD2-CD1 4.29Å; L202-L236 HydrophobicContact CB-CD1 4.44Å; L202-L236 HydrophobicContact CD1-CD1 3.33Å; L202-L236 HydrophobicContact CD1-CD2 3.69Å; L202-L236 HydrophobicContact CD1-CG 4.17Å; L202-L236 HydrophobicContact CG-CD1 4.35Å; Q232-L236 PolarHBondContact O-N 3.41Å; Q232-L236 VanDerWaalsContact O-N 3.11Å; E233-L236 PolarHBondContact O-N 3.4Å; L234-L236 VanDerWaalsContact C-N 3.29Å; L234-L236 PolarHBondContact O-N 3.32Å; L236-R238 VanDerWaalsContact C-N 3.3Å; L236-R238 PolarHBondContact O-N 2.92Å; L236-F239 HydrophobicContact CD1-CB 4.47Å; L236-F239 HydrophobicContact CD1-CD1 4.25Å; L236-F239 WeakPolarHBondContact O-CA 3.46Å; L236-F239 VanDerWaalsContact O-CB 3.29Å; L236-F239 WeakPolarHBondContact O-CB 3.39Å; L236-F239 PolarHBondContact O-N 3.37Å; L236-C240 PolarHBondContact O-N 2.72Å; L236-C240 PolarHBondContact O-SG 3.37Å; L236-C240 VanDerWaalsContact O-SG 3.35Å
237	L	62.9	Low	57.3	Low	2 Å²	2	45.2 Å²	45.2	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-41.9	176.5	-177.4	52.3	0	0	0	111.6	L219 L222 T223 L226 E233 L234 F239 C240 L241 V265	L219-L237 HydrophobicContact CD1-CD1 3.92Å; L222-L237 HydrophobicContact CB-CD1 3.53Å; L222-L237 HydrophobicContact CB-CD2 4.29Å; L222-L237 HydrophobicContact CB-CG 4.46Å; L222-L237 HydrophobicContact CD1-CD1 4.02Å; L222-L237 HydrophobicContact CG-CD1 4.27Å; L222-L237 WeakPolarHBondContact O-CD2 3.25Å; T223-L237 HydrophobicContact CG2-CD1 4.15Å; T223-L237 HydrophobicContact CG2-CD2 4.39Å; L226-L237 HydrophobicContact CD2-CD2 3.45Å; L226-L237 VanDerWaalsContact CD2-CD2 3.45Å; E233-L237 VanDerWaalsContact O-CB 3.32Å; E233-L237 WeakPolarHBondContact O-CB 3.48Å; E233-L237 PolarHBondContact O-N 3.45Å; L234-L237 PolarHBondContact O-N 3.35Å; L237-F239 VanDerWaalsContact C-N 3.29Å; L237-F239 PolarHBondContact O-N 3.01Å; L237-C240 PolarHBondContact O-N 2.76Å; L237-L241 HydrophobicContact CD1-CD1 3.83Å; L237-L241 HydrophobicContact CD1-CG 3.95Å; L237-L241 HydrophobicContact CD2-CD1 4.49Å; L237-L241 HydrophobicContact CG-CD1 3.72Å; L237-L241 HydrophobicContact CG-CG 4.34Å; L237-L241 WeakPolarHBondContact O-CB 3.32Å; L237-L241 VanDerWaalsContact O-CG 3.28Å; L237-L241 WeakPolarHBondContact O-CG 3.42Å; L237-L241 PolarHBondContact O-N 2.88Å; L237-V265 HydrophobicContact CB-CG1 4.28Å; L237-V265 HydrophobicContact CB-CG2 4.48Å; L237-V265 HydrophobicContact CD2-CG2 3.47Å; L237-V265 VanDerWaalsContact CD2-CG2 3.47Å; L237-V265 HydrophobicContact CG-CG1 4.41Å; L237-V265 HydrophobicContact CG-CG2 3.81Å
238	R	60.1	Low	56.8	Low	92 Å²	92	50.1 Å²	50.1	35%	0.347	25%	0.249	S	C	.	.	H	α-helix	trans	-57.3	-45.6	171.9	-177.5	178.4	176	-138.1	2.9	110.8	L234 K235 L236 L241 I242 L262 V265 L269	L234-R238 WeakPolarHBondContact O-CB 3.38Å; L234-R238 PolarHBondContact O-N 3.47Å; K235-R238 PolarHBondContact O-N 3.21Å; L236-R238 VanDerWaalsContact C-N 3.3Å; L236-R238 PolarHBondContact O-N 2.92Å; R238-L241 PolarHBondContact O-N 3.44Å; R238-I242 HydrophobicContact CG-CD1 3.79Å; R238-I242 HydrophobicContact CG-CG1 4.37Å; R238-I242 WeakPolarHBondContact O-CB 3.37Å; R238-I242 VanDerWaalsContact O-CG1 3.24Å; R238-I242 WeakPolarHBondContact O-CG1 3.35Å; R238-I242 PolarHBondContact O-N 2.83Å; R238-L262 HydrophobicContact CG-CD1 3.9Å; R238-V265 HydrophobicContact CB-CG1 3.84Å; R238-L269 HydrophobicContact CB-CD1 3.83Å; R238-L269 HydrophobicContact CG-CD1 4.31Å
239	F	55.5	Low	56.5	Low	40 Å²	40	44.7 Å²	44.7	18%	0.175	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-48.8	178.4	-177.9	-103.9	0	0	0	112.3	L199 L202 R203 I206 K235 L236 L237 I243	L199-F239 HydrophobicContact CD2-CB 3.63Å; L199-F239 HydrophobicContact CD2-CD1 4.16Å; L199-F239 HydrophobicContact CD2-CD2 4.27Å; L199-F239 HydrophobicContact CD2-CG 3.74Å; L202-F239 HydrophobicContact CB-CD1 4.45Å; L202-F239 HydrophobicContact CB-CE1 4.19Å; R203-F239 HydrophobicContact CB-CE1 4.11Å; R203-F239 HydrophobicContact CB-CE2 4.17Å; R203-F239 HydrophobicContact CB-CZ 3.4Å; R203-F239 HydrophobicContact CG-CE2 4.24Å; R203-F239 HydrophobicContact CG-CZ 3.71Å; I206-F239 HydrophobicContact CD1-CD1 3.78Å; I206-F239 HydrophobicContact CD1-CE1 3.7Å; K235-F239 PolarHBondContact O-N 3.31Å; L236-F239 HydrophobicContact CD1-CB 4.47Å; L236-F239 HydrophobicContact CD1-CD1 4.25Å; L236-F239 WeakPolarHBondContact O-CA 3.46Å; L236-F239 VanDerWaalsContact O-CB 3.29Å; L236-F239 WeakPolarHBondContact O-CB 3.39Å; L236-F239 PolarHBondContact O-N 3.37Å; L237-F239 VanDerWaalsContact C-N 3.29Å; L237-F239 PolarHBondContact O-N 3.01Å; F239-I243 HydrophobicContact CD1-CD1 4.05Å; F239-I243 HydrophobicContact CE1-CD1 3.38Å; F239-I243 HydrophobicContact CE2-CD1 4.04Å; F239-I243 HydrophobicContact CZ-CD1 3.33Å; F239-I243 HydrophobicContact CZ-CG1 4.34Å; F239-I243 WeakPolarHBondContact O-CG1 3.3Å; F239-I243 PolarHBondContact O-N 3.15Å
240	C	60.6	Low	56.3	Low	4 Å²	4	48.5 Å²	48.5	3%	0.027	25%	0.254	C	S	.	.	H	α-helix	trans	-57.6	-51.8	174.5	-68	0	0	0	0	111.3	I206 V215 L236 L237 I242 I243 F244	I206-C240 HydrophobicContact CD1-CB 4.49Å; I206-C240 VanDerWaalsContact CD1-SG 3.56Å; V215-C240 HydrophobicContact CG1-CB 3.79Å; L236-C240 PolarHBondContact O-N 2.72Å; L236-C240 PolarHBondContact O-SG 3.37Å; L236-C240 VanDerWaalsContact O-SG 3.35Å; L237-C240 PolarHBondContact O-N 2.76Å; C240-I242 PolarHBondContact O-N 3.21Å; C240-I243 PolarHBondContact O-N 3.31Å; C240-I243 VanDerWaalsContact O-N 3.13Å; C240-F244 VanDerWaalsContact O-CD2 3.32Å; C240-F244 WeakPolarHBondContact O-CD2 3.46Å; C240-F244 PolarHBondContact O-N 2.82Å
241	L	63.2	Low	56.5	Low	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-38.1	-176.5	-73.9	166.5	0	0	0	112.9	L219 L237 R238 I243 F244 D245 M258 C261 L262 V265	L219-L241 HydrophobicContact CD1-CD2 3.8Å; L219-L241 HydrophobicContact CD1-CG 4.24Å; L219-L241 HydrophobicContact CD2-CD2 4.14Å; L219-L241 HydrophobicContact CG-CD2 4.37Å; L237-L241 HydrophobicContact CD1-CD1 3.83Å; L237-L241 HydrophobicContact CD1-CG 3.95Å; L237-L241 HydrophobicContact CD2-CD1 4.49Å; L237-L241 HydrophobicContact CG-CD1 3.72Å; L237-L241 HydrophobicContact CG-CG 4.34Å; L237-L241 WeakPolarHBondContact O-CB 3.32Å; L237-L241 VanDerWaalsContact O-CG 3.28Å; L237-L241 WeakPolarHBondContact O-CG 3.42Å; L237-L241 PolarHBondContact O-N 2.88Å; R238-L241 PolarHBondContact O-N 3.44Å; L241-I243 VanDerWaalsContact C-N 3.32Å; L241-I243 PolarHBondContact O-N 3.5Å; L241-F244 PolarHBondContact O-N 2.7Å; L241-D245 WeakPolarHBondContact O-CB 3.41Å; L241-D245 PolarHBondContact O-N 3.43Å; L241-M258 HydrophobicContact CD2-CB 4.12Å; L241-M258 HydrophobicContact CD2-CG 4.13Å; L241-M258 HydrophobicContact CD2-SD 4.38Å; L241-C261 HydrophobicContact CD1-CB 4.1Å; L241-C261 HydrophobicContact CD2-CB 4.34Å; L241-L262 HydrophobicContact CB-CB 3.99Å; L241-L262 HydrophobicContact CB-CD1 3.78Å; L241-L262 HydrophobicContact CB-CG 4.33Å; L241-L262 HydrophobicContact CD1-CB 4.21Å; L241-V265 HydrophobicContact CD1-CB 4.5Å; L241-V265 HydrophobicContact CD1-CG2 4.07Å
242	I	56	Low	56.9	Low	56 Å²	56	54.9 Å²	54.9	29%	0.287	29%	0.286	S	S	.	.	H	α-helix	trans	-60.2	-43.9	173.9	-72	168.2	0	0	0	110.7	R238 C240 D245 Q246 L262	R238-I242 HydrophobicContact CG-CD1 3.79Å; R238-I242 HydrophobicContact CG-CG1 4.37Å; R238-I242 WeakPolarHBondContact O-CB 3.37Å; R238-I242 VanDerWaalsContact O-CG1 3.24Å; R238-I242 WeakPolarHBondContact O-CG1 3.35Å; R238-I242 PolarHBondContact O-N 2.83Å; C240-I242 PolarHBondContact O-N 3.21Å; I242-D245 PolarHBondContact O-N 2.85Å; I242-Q246 WeakPolarHBondContact O-CG 3.48Å; I242-Q246 PolarHBondContact O-N 2.88Å; I242-L262 HydrophobicContact CG1-CD1 3.83Å; I242-L262 HydrophobicContact CG1-CD2 4.15Å
243	I	53	Low	57.5	Low	13 Å²	13	58.3 Å²	58.3	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-42.4	179.8	-67.8	170.1	0	0	0	110.8	I206 F207 F239 C240 L241 Q246 G247	I206-I243 HydrophobicContact CB-CD1 3.85Å; I206-I243 HydrophobicContact CD1-CD1 4.07Å; I206-I243 HydrophobicContact CG2-CB 4.06Å; I206-I243 HydrophobicContact CG2-CD1 3.68Å; I206-I243 HydrophobicContact CG2-CG1 4.48Å; I206-I243 HydrophobicContact CG2-CG2 3.63Å; F207-I243 HydrophobicContact CD1-CG2 4.22Å; F207-I243 HydrophobicContact CE1-CG1 4.5Å; F207-I243 HydrophobicContact CE1-CG2 3.67Å; F207-I243 HydrophobicContact CE2-CD1 4.24Å; F207-I243 HydrophobicContact CZ-CD1 4.12Å; F207-I243 HydrophobicContact CZ-CG1 4.01Å; F207-I243 HydrophobicContact CZ-CG2 4.04Å; F239-I243 HydrophobicContact CD1-CD1 4.05Å; F239-I243 HydrophobicContact CE1-CD1 3.38Å; F239-I243 HydrophobicContact CE2-CD1 4.04Å; F239-I243 HydrophobicContact CZ-CD1 3.33Å; F239-I243 HydrophobicContact CZ-CG1 4.34Å; F239-I243 WeakPolarHBondContact O-CG1 3.3Å; F239-I243 PolarHBondContact O-N 3.15Å; C240-I243 PolarHBondContact O-N 3.31Å; C240-I243 VanDerWaalsContact O-N 3.13Å; L241-I243 VanDerWaalsContact C-N 3.32Å; L241-I243 PolarHBondContact O-N 3.5Å; I243-Q246 WeakPolarHBondContact O-CB 3.07Å; I243-Q246 PolarHBondContact O-N 2.88Å; I243-G247 PolarHBondContact O-N 2.85Å
244	F	60.7	Low	57.8	Low	19 Å²	19	61.5 Å²	61.5	8%	0.083	32%	0.319	C	S	.	.	H	α-helix	trans	-70.1	-32.8	178.6	-83.6	-100.7	0	0	0	112.7	I206 R212 V215 C240 L241 Q246 G247 L249 M258	I206-F244 HydrophobicContact CG2-CE2 4.31Å; R212-F244 WeakPolarHBondContact O-CZ 3.41Å; V215-F244 HydrophobicContact CB-CE2 3.43Å; V215-F244 VanDerWaalsContact CB-CE2 3.43Å; V215-F244 HydrophobicContact CB-CZ 3.69Å; V215-F244 HydrophobicContact CG1-CD2 3.86Å; V215-F244 HydrophobicContact CG1-CE2 3.13Å; V215-F244 HydrophobicContact CG1-CZ 3.73Å; V215-F244 HydrophobicContact CG2-CE2 4.39Å; C240-F244 VanDerWaalsContact O-CD2 3.32Å; C240-F244 WeakPolarHBondContact O-CD2 3.46Å; C240-F244 PolarHBondContact O-N 2.82Å; L241-F244 PolarHBondContact O-N 2.7Å; F244-Q246 PolarHBondContact O-N 3.23Å; F244-G247 PolarHBondContact O-N 3.28Å; F244-L249 HydrophobicContact CD1-CD2 3.88Å; F244-M258 HydrophobicContact CB-CE 3.36Å; F244-M258 HydrophobicContact CB-SD 3.29Å; F244-M258 WeakPolarHBondContact CB-SD 3.07Å; F244-M258 HydrophobicContact CD1-SD 4.2Å; F244-M258 HydrophobicContact CG-SD 4.02Å; F244-M258 WeakPolarHBondContact O-CE 2.86Å
245	D	60.5	Low	58.1	Low	43 Å²	43	64.5 Å²	64.5	23%	0.23	33%	0.333	C	S	.	.	H	α-helix	trans	-66.3	-25.6	173.9	-172.8	53.3	0	0	0	111.7	L241 I242 M258 R259	L241-D245 WeakPolarHBondContact O-CB 3.41Å; L241-D245 PolarHBondContact O-N 3.43Å; I242-D245 PolarHBondContact O-N 2.85Å; D245-M258 HydrophobicContact CB-CE 4.34Å; D245-R259 WeakPolarHBondContact OD1-CG 3.03Å; D245-R259 IonicContact OD1-CZ 3.28Å; D245-R259 VanDerWaalsContact OD1-CZ 3.3Å; D245-R259 IonicContact OD1-NE 3.56Å; D245-R259 PolarHBondContact OD1-NE 2.56Å; D245-R259 IonicContact OD1-NH2 3.74Å; D245-R259 PolarHBondContact OD1-NH2 3.39Å; D245-R259 IonicContact OD2-NH2 2.77Å
246	Q	54.7	Low	58.8	Low	140 Å²	140	67.6 Å²	67.6	65%	0.654	35%	0.348	S	S	*	.	H	α-helix	trans	-84	-27.5	171.4	-68	176.9	1	0	0	113.5	I242 I243 F244	I242-Q246 WeakPolarHBondContact O-CG 3.48Å; I242-Q246 PolarHBondContact O-N 2.88Å; I243-Q246 WeakPolarHBondContact O-CB 3.07Å; I243-Q246 PolarHBondContact O-N 2.88Å; F244-Q246 PolarHBondContact O-N 3.23Å
247	G	54	Low	59.4	Low	38 Å²	38	70.1 Å²	70.1	39%	0.392	37%	0.371	S	S	.	.	S	Bend	trans	-76.7	133.3	175	0	0	0	0	0	109.5	I243 F244 L249	I243-G247 PolarHBondContact O-N 2.85Å; F244-G247 PolarHBondContact O-N 3.28Å; G247-L249 PolarHBondContact O-N 2.6Å
248	N	46.1	Very low	59.5	Low	166 Å²	166	70.6 Å²	70.6	89%	0.888	37%	0.373	S	S	*	.			trans	-61.6	84.3	173.6	-71.4	-28.1	0	0	0	110.1
249	L	54.8	Low	59.7	Low	25 Å²	25	72.3 Å²	72.3	13%	0.131	38%	0.379	C	S	.	.			trans	-56.7	144.8	169.3	-84.9	179.7	0	0	0	109.3	F244 G247 C251 E254 Q255 M258	F244-L249 HydrophobicContact CD1-CD2 3.88Å; G247-L249 PolarHBondContact O-N 2.6Å; L249-C251 VanDerWaalsContact C-N 3.29Å; L249-C251 PolarHBondContact O-N 3.3Å; L249-E254 HydrophobicContact CD1-CB 4Å; L249-Q255 HydrophobicContact CB-CG 3.58Å; L249-Q255 HydrophobicContact CD1-CB 4.16Å; L249-Q255 HydrophobicContact CD1-CG 3.55Å; L249-Q255 HydrophobicContact CG-CG 4.2Å; L249-Q255 PolarHBondContact O-NE2 3.33Å; L249-M258 HydrophobicContact CD1-CE 3.09Å; L249-M258 HydrophobicContact CD1-CG 4.08Å; L249-M258 HydrophobicContact CD1-SD 3.51Å; L249-M258 VanDerWaalsContact CD1-SD 3.51Å; L249-M258 HydrophobicContact CD2-CE 4.47Å; L249-M258 HydrophobicContact CD2-SD 4.22Å; L249-M258 HydrophobicContact CG-CE 3.83Å; L249-M258 HydrophobicContact CG-SD 4.21Å
250	P	52.8	Low	60.1	Low	119 Å²	119	74.7 Å²	74.7	77%	0.773	39%	0.394	S	S	*	.	S	Bend	trans	-69.7	-21.4	-170.9	25.1	-31	0	0	0	114.1	E254	P250-E254 WeakPolarHBondContact CD-OE2 3.37Å; P250-E254 WeakPolarHBondContact CG-OE2 2.94Å
251	C	63	Low	60.4	Low	54 Å²	54	75.1 Å²	75.1	37%	0.365	40%	0.396	S	S	.	.			trans	-141.3	151.9	178.3	78.4	0	0	0	0	114.9	L249 M253 E254 Q255	L249-C251 VanDerWaalsContact C-N 3.29Å; L249-C251 PolarHBondContact O-N 3.3Å; C251-M253 VanDerWaalsContact C-N 3.33Å; C251-M253 PolarHBondContact O-N 3.26Å; C251-E254 PolarHBondContact O-N 2.84Å; C251-E254 VanDerWaalsContact SG-CD 3.59Å; C251-E254 WeakPolarHBondContact SG-CG 3.48Å; C251-Q255 WeakPolarHBondContact O-CG 3.25Å; C251-Q255 PolarHBondContact O-N 3.01Å
252	E	63	Low	60.2	Low	166 Å²	166	75.7 Å²	75.7	78%	0.776	40%	0.399	S	S	*	.	H	α-helix	trans	-60.7	-37.9	179.9	-73.3	-176.1	156.9	0	0	112.9	E254 Q255 E256	E252-E254 VanDerWaalsContact C-N 3.33Å; E252-E254 PolarHBondContact O-N 3.09Å; E252-Q255 WeakPolarHBondContact O-CB 3.32Å; E252-Q255 PolarHBondContact O-N 2.71Å; E252-Q255 VanDerWaalsContact O-N 3.13Å; E252-E256 PolarHBondContact O-N 3.45Å
253	M	64.2	Low	60.2	Low	155 Å²	155	74.1 Å²	74.1	76%	0.764	39%	0.394	S	S	*	.	H	α-helix	trans	-61.2	-41	179	-109.1	-172.2	67.8	0	0	112.3	C251 A257	C251-M253 VanDerWaalsContact C-N 3.33Å; C251-M253 PolarHBondContact O-N 3.26Å; M253-A257 WeakPolarHBondContact O-CB 3.39Å; M253-A257 PolarHBondContact O-N 3.22Å
254	E	64	Low	60.3	Low	92 Å²	92	76.4 Å²	76.4	43%	0.43	41%	0.406	S	S	.	.	H	α-helix	trans	-68.3	-38.4	175.1	-75.5	172.2	164.3	0	0	111	L249 P250 C251 E252 A257 M258	L249-E254 HydrophobicContact CD1-CB 4Å; P250-E254 WeakPolarHBondContact CD-OE2 3.37Å; P250-E254 WeakPolarHBondContact CG-OE2 2.94Å; C251-E254 PolarHBondContact O-N 2.84Å; C251-E254 VanDerWaalsContact SG-CD 3.59Å; C251-E254 WeakPolarHBondContact SG-CG 3.48Å; E252-E254 VanDerWaalsContact C-N 3.33Å; E252-E254 PolarHBondContact O-N 3.09Å; E254-A257 PolarHBondContact O-N 3.36Å; E254-M258 WeakPolarHBondContact O-CB 3.42Å; E254-M258 VanDerWaalsContact O-CG 3.25Å; E254-M258 WeakPolarHBondContact O-CG 3.32Å; E254-M258 PolarHBondContact O-N 3.46Å
255	Q	63.4	Low	60.1	Low	63 Å²	63	75.5 Å²	75.5	29%	0.294	40%	0.402	S	S	.	.	H	α-helix	trans	-61.9	-45.9	176.4	-68.6	175.6	6.7	0	0	111.4	L249 C251 E252 M258 R259	L249-Q255 HydrophobicContact CB-CG 3.58Å; L249-Q255 HydrophobicContact CD1-CB 4.16Å; L249-Q255 HydrophobicContact CD1-CG 3.55Å; L249-Q255 HydrophobicContact CG-CG 4.2Å; L249-Q255 PolarHBondContact O-NE2 3.33Å; C251-Q255 WeakPolarHBondContact O-CG 3.25Å; C251-Q255 PolarHBondContact O-N 3.01Å; E252-Q255 WeakPolarHBondContact O-CB 3.32Å; E252-Q255 PolarHBondContact O-N 2.71Å; E252-Q255 VanDerWaalsContact O-N 3.13Å; Q255-M258 PolarHBondContact O-N 3.17Å; Q255-R259 WeakPolarHBondContact O-CB 3.18Å; Q255-R259 VanDerWaalsContact O-CG 3.29Å; Q255-R259 WeakPolarHBondContact O-CG 2.89Å; Q255-R259 PolarHBondContact O-N 3.28Å
256	E	67.6	Low	59.5	Low	124 Å²	124	73.8 Å²	73.8	58%	0.579	39%	0.393	S	S	*	.	H	α-helix	trans	-65.2	-46.1	178	-171.4	178.2	-176.1	0	0	111.8	E252 M258 R259 N260	E252-E256 PolarHBondContact O-N 3.45Å; E256-M258 VanDerWaalsContact C-N 3.28Å; E256-M258 PolarHBondContact O-N 3.15Å; E256-R259 PolarHBondContact O-N 3.04Å; E256-N260 WeakPolarHBondContact O-CB 3.32Å; E256-N260 PolarHBondContact O-N 3.3Å; E256-N260 PolarHBondContact O-ND2 3.11Å
257	A	67	Low	59.2	Low	61 Å²	61	69.9 Å²	69.9	50%	0.504	37%	0.372	S	S	.	.	H	α-helix	trans	-59.1	-40.7	176.8	0	0	0	0	0	112	M253 E254 C261	M253-A257 WeakPolarHBondContact O-CB 3.39Å; M253-A257 PolarHBondContact O-N 3.22Å; E254-A257 PolarHBondContact O-N 3.36Å; A257-C261 WeakPolarHBondContact O-CB 3.21Å; A257-C261 PolarHBondContact O-N 2.87Å
258	M	64.8	Low	59.2	Low	11 Å²	11	71.1 Å²	71.1	5%	0.054	37%	0.365	C	S	.	.	H	α-helix	trans	-68.5	-41.2	174.8	-75.9	-158	-27.6	0	0	113.3	L219 L241 F244 D245 L249 E254 Q255 E256 N260 C261 L262	L219-M258 HydrophobicContact CD2-CG 3.87Å; L219-M258 HydrophobicContact CD2-SD 3.7Å; L241-M258 HydrophobicContact CD2-CB 4.12Å; L241-M258 HydrophobicContact CD2-CG 4.13Å; L241-M258 HydrophobicContact CD2-SD 4.38Å; F244-M258 HydrophobicContact CB-CE 3.36Å; F244-M258 HydrophobicContact CB-SD 3.29Å; F244-M258 WeakPolarHBondContact CB-SD 3.07Å; F244-M258 HydrophobicContact CD1-SD 4.2Å; F244-M258 HydrophobicContact CG-SD 4.02Å; F244-M258 WeakPolarHBondContact O-CE 2.86Å; D245-M258 HydrophobicContact CB-CE 4.34Å; L249-M258 HydrophobicContact CD1-CE 3.09Å; L249-M258 HydrophobicContact CD1-CG 4.08Å; L249-M258 HydrophobicContact CD1-SD 3.51Å; L249-M258 VanDerWaalsContact CD1-SD 3.51Å; L249-M258 HydrophobicContact CD2-CE 4.47Å; L249-M258 HydrophobicContact CD2-SD 4.22Å; L249-M258 HydrophobicContact CG-CE 3.83Å; L249-M258 HydrophobicContact CG-SD 4.21Å; E254-M258 WeakPolarHBondContact O-CB 3.42Å; E254-M258 VanDerWaalsContact O-CG 3.25Å; E254-M258 WeakPolarHBondContact O-CG 3.32Å; E254-M258 PolarHBondContact O-N 3.46Å; Q255-M258 PolarHBondContact O-N 3.17Å; E256-M258 VanDerWaalsContact C-N 3.28Å; E256-M258 PolarHBondContact O-N 3.15Å; M258-N260 VanDerWaalsContact C-N 3.32Å; M258-N260 PolarHBondContact O-N 3.15Å; M258-C261 CarbonylContact O-C 3.18Å; M258-C261 PolarHBondContact O-N 3.07Å; M258-L262 WeakPolarHBondContact O-CB 3.47Å; M258-L262 PolarHBondContact O-N 3.31Å
259	R	64.5	Low	59.4	Low	129 Å²	129	63.7 Å²	63.7	49%	0.487	33%	0.325	S	S	.	.	H	α-helix	trans	-60.3	-45.4	176.4	-78.2	176.7	-179.2	-138.9	-6.8	110.8	D245 Q255 E256 C261 L262 C263	D245-R259 WeakPolarHBondContact OD1-CG 3.03Å; D245-R259 IonicContact OD1-CZ 3.28Å; D245-R259 VanDerWaalsContact OD1-CZ 3.3Å; D245-R259 IonicContact OD1-NE 3.56Å; D245-R259 PolarHBondContact OD1-NE 2.56Å; D245-R259 IonicContact OD1-NH2 3.74Å; D245-R259 PolarHBondContact OD1-NH2 3.39Å; D245-R259 IonicContact OD2-NH2 2.77Å; Q255-R259 WeakPolarHBondContact O-CB 3.18Å; Q255-R259 VanDerWaalsContact O-CG 3.29Å; Q255-R259 WeakPolarHBondContact O-CG 2.89Å; Q255-R259 PolarHBondContact O-N 3.28Å; E256-R259 PolarHBondContact O-N 3.04Å; R259-C261 VanDerWaalsContact C-N 3.32Å; R259-C261 PolarHBondContact O-N 2.97Å; R259-L262 PolarHBondContact O-N 3.22Å; R259-C263 WeakPolarHBondContact O-CB 3.43Å; R259-C263 PolarHBondContact O-N 2.87Å; R259-C263 PolarHBondContact O-SG 3.22Å
260	N	64.9	Low	59	Low	89 Å²	89	62.8 Å²	62.8	48%	0.476	32%	0.322	S	S	.	.	H	α-helix	trans	-59.2	-44.8	174.7	-72	-25	0	0	0	111.4	E256 M258 C263 D264	E256-N260 WeakPolarHBondContact O-CB 3.32Å; E256-N260 PolarHBondContact O-N 3.3Å; E256-N260 PolarHBondContact O-ND2 3.11Å; M258-N260 VanDerWaalsContact C-N 3.32Å; M258-N260 PolarHBondContact O-N 3.15Å; N260-C263 WeakPolarHBondContact O-CB 3.16Å; N260-C263 PolarHBondContact O-N 3.4Å; N260-D264 PolarHBondContact O-N 2.77Å
261	C	65.4	Low	58.6	Low	13 Å²	13	58.8 Å²	58.8	9%	0.088	30%	0.302	C	S	.	.	H	α-helix	trans	-65.6	-40.3	176.3	-165.1	0	0	0	0	112.8	T223 L241 A257 M258 R259 C263 D264 V265	T223-C261 WeakPolarHBondContact CB-SG 3.36Å; T223-C261 HydrophobicContact CG2-CB 4.09Å; T223-C261 WeakPolarHBondContact CG2-SG 3.45Å; L241-C261 HydrophobicContact CD1-CB 4.1Å; L241-C261 HydrophobicContact CD2-CB 4.34Å; A257-C261 WeakPolarHBondContact O-CB 3.21Å; A257-C261 PolarHBondContact O-N 2.87Å; M258-C261 CarbonylContact O-C 3.18Å; M258-C261 PolarHBondContact O-N 3.07Å; R259-C261 VanDerWaalsContact C-N 3.32Å; R259-C261 PolarHBondContact O-N 2.97Å; C261-C263 VanDerWaalsContact C-N 3.31Å; C261-C263 PolarHBondContact O-N 3.05Å; C261-D264 PolarHBondContact O-N 3.13Å; C261-V265 WeakPolarHBondContact O-CB 3.38Å; C261-V265 WeakPolarHBondContact O-CG2 3.17Å; C261-V265 PolarHBondContact O-N 2.77Å
262	L	59.8	Low	57.9	Low	13 Å²	13	60.9 Å²	60.9	7%	0.068	30%	0.302	C	S	.	.	H	α-helix	trans	-62.3	-42.5	177.8	177.4	57.6	0	0	0	110.7	R238 L241 I242 M258 R259 T266	R238-L262 HydrophobicContact CG-CD1 3.9Å; L241-L262 HydrophobicContact CB-CB 3.99Å; L241-L262 HydrophobicContact CB-CD1 3.78Å; L241-L262 HydrophobicContact CB-CG 4.33Å; L241-L262 HydrophobicContact CD1-CB 4.21Å; I242-L262 HydrophobicContact CG1-CD1 3.83Å; I242-L262 HydrophobicContact CG1-CD2 4.15Å; M258-L262 WeakPolarHBondContact O-CB 3.47Å; M258-L262 PolarHBondContact O-N 3.31Å; R259-L262 PolarHBondContact O-N 3.22Å; L262-T266 WeakPolarHBondContact O-CB 3.21Å; L262-T266 PolarHBondContact O-N 2.73Å; L262-T266 PolarHBondContact O-OG1 3.34Å
263	C	55.6	Low	57.1	Low	24 Å²	24	56.5 Å²	56.5	16%	0.162	28%	0.282	C	S	.	.	H	α-helix	trans	-58.7	-50.4	172.7	-70.8	0	0	0	0	110.9	R259 N260 C261 V265 T266 R267 Y313	R259-C263 WeakPolarHBondContact O-CB 3.43Å; R259-C263 PolarHBondContact O-N 2.87Å; R259-C263 PolarHBondContact O-SG 3.22Å; N260-C263 WeakPolarHBondContact O-CB 3.16Å; N260-C263 PolarHBondContact O-N 3.4Å; C261-C263 VanDerWaalsContact C-N 3.31Å; C261-C263 PolarHBondContact O-N 3.05Å; C263-V265 PolarHBondContact O-N 3.37Å; C263-T266 PolarHBondContact O-N 2.89Å; C263-R267 VanDerWaalsContact O-CB 3.27Å; C263-R267 WeakPolarHBondContact O-CB 3.43Å; C263-R267 PolarHBondContact O-N 3.22Å; C263-Y313 PolarHBondContact SG-O 3.21Å; C263-Y313 VanDerWaalsContact SG-O 3.37Å
264	D	55.9	Low	56.1	Low	60 Å²	60	49.6 Å²	49.6	32%	0.321	25%	0.249	S	C	.	.	H	α-helix	trans	-62.1	-42.8	-179.9	-80.4	-12.6	0	0	0	113	L226 N260 C261 R267 R268	L226-D264 HydrophobicContact CD1-CB 3.96Å; N260-D264 PolarHBondContact O-N 2.77Å; C261-D264 PolarHBondContact O-N 3.13Å; D264-R267 PolarHBondContact O-N 3.46Å; D264-R267 IonicContact OD1-CZ 3.26Å; D264-R267 IonicContact OD1-NH1 2.87Å; D264-R267 PolarHBondContact OD1-NH1 2.88Å; D264-R267 IonicContact OD1-NH2 3.53Å; D264-R268 VanDerWaalsContact O-CG 3.3Å; D264-R268 WeakPolarHBondContact O-CG 3.32Å; D264-R268 PolarHBondContact O-N 3.4Å
265	V	55.5	Low	55.1	Low	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-45	177.6	172.8	0	0	0	0	110.8	L226 L234 L237 R238 L241 C261 C263 R267 R268 L269	L226-V265 HydrophobicContact CD1-CG2 4.19Å; L226-V265 HydrophobicContact CD2-CG2 3.87Å; L234-V265 HydrophobicContact CB-CG1 4.22Å; L234-V265 HydrophobicContact CD2-CG1 4.1Å; L234-V265 HydrophobicContact CD2-CG2 4.23Å; L234-V265 WeakPolarHBondContact O-CG1 3.29Å; L237-V265 HydrophobicContact CB-CG1 4.28Å; L237-V265 HydrophobicContact CB-CG2 4.48Å; L237-V265 HydrophobicContact CD2-CG2 3.47Å; L237-V265 VanDerWaalsContact CD2-CG2 3.47Å; L237-V265 HydrophobicContact CG-CG1 4.41Å; L237-V265 HydrophobicContact CG-CG2 3.81Å; R238-V265 HydrophobicContact CB-CG1 3.84Å; L241-V265 HydrophobicContact CD1-CB 4.5Å; L241-V265 HydrophobicContact CD1-CG2 4.07Å; C261-V265 WeakPolarHBondContact O-CB 3.38Å; C261-V265 WeakPolarHBondContact O-CG2 3.17Å; C261-V265 PolarHBondContact O-N 2.77Å; C263-V265 PolarHBondContact O-N 3.37Å; V265-R267 VanDerWaalsContact C-N 3.33Å; V265-R267 PolarHBondContact O-N 2.74Å; V265-R268 PolarHBondContact O-N 3.2Å; V265-L269 HydrophobicContact CG1-CD1 4.22Å; V265-L269 WeakPolarHBondContact O-CG 3.47Å; V265-L269 PolarHBondContact O-N 3.42Å
266	T	49.7	Very low	54.3	Low	8 Å²	8	49.9 Å²	49.9	5%	0.049	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-44.2	176.9	-62.3	0	0	0	0	110.7	L262 C263 R268 L269 A270 T311	L262-T266 WeakPolarHBondContact O-CB 3.21Å; L262-T266 PolarHBondContact O-N 2.73Å; L262-T266 PolarHBondContact O-OG1 3.34Å; C263-T266 PolarHBondContact O-N 2.89Å; T266-R268 PolarHBondContact O-N 2.75Å; T266-L269 PolarHBondContact O-N 3.21Å; T266-A270 PolarHBondContact O-N 3.03Å; T266-A270 VanDerWaalsContact O-N 3.13Å; T266-T311 HydrophobicContact CG2-CG2 3.74Å; T266-T311 WeakPolarHBondContact O-CG2 3.28Å
267	R	48.3	Very low	53.1	Low	58 Å²	58	44.4 Å²	44.4	22%	0.219	23%	0.233	C	C	.	.	H	α-helix	trans	-59.8	-44.2	176.8	-157.6	-167.2	-70.4	130.5	4.9	111.4	C263 D264 V265 A270 G271 A314 L319	C263-R267 VanDerWaalsContact O-CB 3.27Å; C263-R267 WeakPolarHBondContact O-CB 3.43Å; C263-R267 PolarHBondContact O-N 3.22Å; D264-R267 PolarHBondContact O-N 3.46Å; D264-R267 IonicContact OD1-CZ 3.26Å; D264-R267 IonicContact OD1-NH1 2.87Å; D264-R267 PolarHBondContact OD1-NH1 2.88Å; D264-R267 IonicContact OD1-NH2 3.53Å; V265-R267 VanDerWaalsContact C-N 3.33Å; V265-R267 PolarHBondContact O-N 2.74Å; R267-A270 PolarHBondContact O-N 3.5Å; R267-G271 PolarHBondContact O-N 3.03Å; R267-A314 HydrophobicContact CB-CB 4.07Å; R267-A314 HydrophobicContact CG-CB 4.12Å; R267-L319 VanDerWaalsContact C-CD1 3.41Å; R267-L319 HydrophobicContact CB-CD1 3.76Å; R267-L319 HydrophobicContact CG-CB 3.95Å; R267-L319 HydrophobicContact CG-CD1 3.4Å; R267-L319 VanDerWaalsContact CG-CD1 3.4Å; R267-L319 HydrophobicContact CG-CG 4.02Å; R267-L319 WeakPolarHBondContact O-CD1 3.38Å
268	R	53.4	Low	51.9	Low	64 Å²	64	45 Å²	45	24%	0.242	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-42.2	177.3	-72.3	170.9	-177	-87.7	3.7	112.8	L234 D264 V265 T266 A270 G271 Y272 L319	L234-R268 HydrophobicContact CD1-CB 3.84Å; D264-R268 VanDerWaalsContact O-CG 3.3Å; D264-R268 WeakPolarHBondContact O-CG 3.32Å; D264-R268 PolarHBondContact O-N 3.4Å; V265-R268 PolarHBondContact O-N 3.2Å; T266-R268 PolarHBondContact O-N 2.75Å; R268-A270 VanDerWaalsContact C-N 3.29Å; R268-A270 PolarHBondContact O-N 2.91Å; R268-G271 WeakPolarHBondContact O-CA 3.48Å; R268-G271 PolarHBondContact O-N 2.84Å; R268-G271 VanDerWaalsContact O-N 3.12Å; R268-Y272 WeakPolarHBondContact O-CD2 3.45Å; R268-Y272 PolarHBondContact O-N 3.48Å; R268-L319 HydrophobicContact CG-CD1 3.96Å
269	L	49.9	Very low	50.9	Low	9 Å²	9	52.6 Å²	52.6	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-40.9	177	-77.5	170.5	0	0	0	112	F231 L234 K235 R238 V265 T266 Y272 H273	F231-L269 HydrophobicContact CD2-CD2 3.58Å; F231-L269 HydrophobicContact CE2-CD2 3.57Å; L234-L269 HydrophobicContact CB-CD2 3.7Å; L234-L269 HydrophobicContact CB-CG 3.95Å; K235-L269 HydrophobicContact CB-CD2 4.49Å; K235-L269 HydrophobicContact CG-CD1 4.44Å; K235-L269 HydrophobicContact CG-CD2 3.66Å; R238-L269 HydrophobicContact CB-CD1 3.83Å; R238-L269 HydrophobicContact CG-CD1 4.31Å; V265-L269 HydrophobicContact CG1-CD1 4.22Å; V265-L269 WeakPolarHBondContact O-CG 3.47Å; V265-L269 PolarHBondContact O-N 3.42Å; T266-L269 PolarHBondContact O-N 3.21Å; L269-Y272 PolarHBondContact O-N 2.98Å; L269-H273 PolarHBondContact O-CD2 3.34Å; L269-H273 PolarHBondContact O-N 3.35Å
270	A	45.9	Very low	50	Low	7 Å²	7	51 Å²	51	6%	0.058	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-42.7	173.5	0	0	0	0	0	112.6	T266 R267 R268 Y272 H273 A274 A307 T311	T266-A270 PolarHBondContact O-N 3.03Å; T266-A270 VanDerWaalsContact O-N 3.13Å; R267-A270 PolarHBondContact O-N 3.5Å; R268-A270 VanDerWaalsContact C-N 3.29Å; R268-A270 PolarHBondContact O-N 2.91Å; A270-Y272 VanDerWaalsContact C-N 3.3Å; A270-Y272 PolarHBondContact O-N 3.1Å; A270-H273 PolarHBondContact O-N 3.18Å; A270-H273 VanDerWaalsContact O-N 3.17Å; A270-A274 VanDerWaalsContact O-CB 3.22Å; A270-A274 WeakPolarHBondContact O-CB 3.36Å; A270-A274 PolarHBondContact O-N 3.06Å; A270-A307 VanDerWaalsContact CB-O 3.29Å; A270-A307 WeakPolarHBondContact CB-O 3.35Å; A270-T311 HydrophobicContact CB-CG2 3.2Å
271	G	44.8	Very low	48.9	Very low	34 Å²	34	47 Å²	47	35%	0.351	23%	0.232	S	C	.	.	H	α-helix	trans	-54.2	-44.3	172.2	0	0	0	0	0	112.8	R267 R268 A274 M275	R267-G271 PolarHBondContact O-N 3.03Å; R268-G271 WeakPolarHBondContact O-CA 3.48Å; R268-G271 PolarHBondContact O-N 2.84Å; R268-G271 VanDerWaalsContact O-N 3.12Å; G271-A274 WeakPolarHBondContact O-CB 3.15Å; G271-A274 PolarHBondContact O-N 3.4Å; G271-M275 WeakPolarHBondContact O-CG 3.45Å; G271-M275 PolarHBondContact O-N 3.39Å
272	Y	48.2	Very low	47.6	Very low	98 Å²	98	50.1 Å²	50.1	38%	0.384	24%	0.244	S	C	.	.	H	α-helix	trans	-63.9	-44.5	175.3	-84.4	-76.4	0	0	0	113.1	R229 F231 L234 R268 L269 A270 M275 S276	R229-Y272 PolarHBondContact O-OH 2.91Å; F231-Y272 HydrophobicContact CB-CD1 4.09Å; F231-Y272 HydrophobicContact CB-CD2 4.44Å; F231-Y272 HydrophobicContact CB-CE1 4.24Å; F231-Y272 HydrophobicContact CB-CG 4.19Å; F231-Y272 HydrophobicContact CD2-CD1 4.2Å; F231-Y272 AromaticContact CD2-CD2 3.93Å; F231-Y272 HydrophobicContact CD2-CD2 3.93Å; F231-Y272 AromaticContact CD2-CG 3.58Å; F231-Y272 HydrophobicContact CD2-CG 3.58Å; F231-Y272 HydrophobicContact CE2-CG 4.34Å; F231-Y272 HydrophobicContact CG-CD1 4.47Å; F231-Y272 HydrophobicContact CG-CG 4.27Å; L234-Y272 HydrophobicContact CD1-CD2 4.01Å; L234-Y272 HydrophobicContact CD1-CE2 3.57Å; R268-Y272 WeakPolarHBondContact O-CD2 3.45Å; R268-Y272 PolarHBondContact O-N 3.48Å; L269-Y272 PolarHBondContact O-N 2.98Å; A270-Y272 VanDerWaalsContact C-N 3.3Å; A270-Y272 PolarHBondContact O-N 3.1Å; Y272-M275 PolarHBondContact O-N 2.82Å; Y272-S276 WeakPolarHBondContact O-CB 3.47Å; Y272-S276 PolarHBondContact O-N 3.38Å
273	H	46.8	Very low	46.8	Very low	75 Å²	75	55 Å²	55	35%	0.347	27%	0.267	S	S	.	.	H	α-helix	trans	-65.4	-39.3	178.2	-81.1	-71	0	0	0	112.4	F231 L269 A270 S276 S277 A307	F231-H273 AromaticContact CE2-CD2 3.88Å; F231-H273 AromaticContact CE2-NE2 3.76Å; F231-H273 AromaticContact CZ-CE1 3.6Å; F231-H273 AromaticContact CZ-NE2 3.47Å; F231-H273 WeakPolarHBondContact CZ-NE2 3.33Å; L269-H273 PolarHBondContact O-CD2 3.34Å; L269-H273 PolarHBondContact O-N 3.35Å; A270-H273 PolarHBondContact O-N 3.18Å; A270-H273 VanDerWaalsContact O-N 3.17Å; H273-S276 PolarHBondContact O-N 3.03Å; H273-S277 WeakPolarHBondContact O-CB 3.27Å; H273-S277 PolarHBondContact O-N 3.38Å; H273-S277 PolarHBondContact O-OG 3.34Å; H273-A307 HydrophobicContact CB-CB 3.41Å; H273-A307 VanDerWaalsContact CB-CB 3.41Å
274	A	43.1	Very low	46.1	Very low	9 Å²	9	56.7 Å²	56.7	7%	0.074	27%	0.274	C	S	.	.	H	α-helix	trans	-56.4	-53.2	171.7	0	0	0	0	0	111.3	A270 G271 S276 S277 L278 F304	A270-A274 VanDerWaalsContact O-CB 3.22Å; A270-A274 WeakPolarHBondContact O-CB 3.36Å; A270-A274 PolarHBondContact O-N 3.06Å; G271-A274 WeakPolarHBondContact O-CB 3.15Å; G271-A274 PolarHBondContact O-N 3.4Å; A274-S276 VanDerWaalsContact C-N 3.33Å; A274-S276 PolarHBondContact O-N 3.3Å; A274-S277 PolarHBondContact O-N 3.24Å; A274-L278 WeakPolarHBondContact O-CG 3.47Å; A274-L278 PolarHBondContact O-N 2.95Å; A274-F304 HydrophobicContact CB-CD2 3.43Å; A274-F304 VanDerWaalsContact CB-CD2 3.43Å; A274-F304 HydrophobicContact CB-CE2 3.16Å; A274-F304 HydrophobicContact CB-CG 4.31Å; A274-F304 HydrophobicContact CB-CZ 3.84Å; A274-F304 WeakPolarHBondContact O-CD2 3.4Å
275	M	43.4	Very low	45.2	Very low	108 Å²	108	55.8 Å²	55.8	53%	0.532	27%	0.268	S	S	.	.	H	α-helix	trans	-62.9	-36.9	177.9	-70.2	-57.8	-64.3	0	0	113	G271 Y272 L278 R279	G271-M275 WeakPolarHBondContact O-CG 3.45Å; G271-M275 PolarHBondContact O-N 3.39Å; Y272-M275 PolarHBondContact O-N 2.82Å; M275-L278 PolarHBondContact O-N 2.87Å; M275-L278 HydrophobicContact SD-CD1 4.09Å; M275-R279 PolarHBondContact O-N 3.4Å
276	S	45.7	Very low	44.4	Very low	54 Å²	54	59.1 Å²	59.1	38%	0.378	30%	0.303	S	S	.	.	H	α-helix	trans	-64.3	-42.3	174.7	-178.2	0	0	0	0	111.8	Y272 H273 A274 R279 K280	Y272-S276 WeakPolarHBondContact O-CB 3.47Å; Y272-S276 PolarHBondContact O-N 3.38Å; H273-S276 PolarHBondContact O-N 3.03Å; A274-S276 VanDerWaalsContact C-N 3.33Å; A274-S276 PolarHBondContact O-N 3.3Å; S276-R279 PolarHBondContact O-N 3.35Å; S276-K280 PolarHBondContact O-N 3.41Å
277	S	42.5	Very low	44.1	Very low	9 Å²	9	67.8 Å²	67.8	6%	0.063	34%	0.339	C	S	.	.	H	α-helix	trans	-65.1	-41	177.7	-55.8	0	0	0	0	111.4	H273 A274 R279 K280 A281	H273-S277 WeakPolarHBondContact O-CB 3.27Å; H273-S277 PolarHBondContact O-N 3.38Å; H273-S277 PolarHBondContact O-OG 3.34Å; A274-S277 PolarHBondContact O-N 3.24Å; S277-R279 PolarHBondContact O-N 2.87Å; S277-K280 PolarHBondContact O-N 3.09Å; S277-A281 WeakPolarHBondContact O-CB 3.37Å; S277-A281 PolarHBondContact O-N 3.28Å
278	L	42.5	Very low	43.5	Very low	73 Å²	73	66.1 Å²	66.1	38%	0.382	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-41.2	172.7	-72.1	170.6	0	0	0	112.3	A274 M275 A281 K282 F304	A274-L278 WeakPolarHBondContact O-CG 3.47Å; A274-L278 PolarHBondContact O-N 2.95Å; M275-L278 PolarHBondContact O-N 2.87Å; M275-L278 HydrophobicContact SD-CD1 4.09Å; L278-A281 WeakPolarHBondContact O-CB 3.41Å; L278-A281 PolarHBondContact O-N 2.87Å; L278-K282 PolarHBondContact O-N 3.16Å; L278-F304 HydrophobicContact CD1-CE2 4.16Å; L278-F304 HydrophobicContact CG-CD2 4.28Å; L278-F304 HydrophobicContact CG-CE2 4.33Å
279	R	44	Very low	43.1	Very low	171 Å²	171	71.6 Å²	71.6	65%	0.645	36%	0.364	S	S	*	.	H	α-helix	trans	-64.5	-44.3	176.1	-171.2	-177.1	-61.5	170.9	0.3	111.9	M275 S276 S277 A281 K282 E283	M275-R279 PolarHBondContact O-N 3.4Å; S276-R279 PolarHBondContact O-N 3.35Å; S277-R279 PolarHBondContact O-N 2.87Å; R279-A281 VanDerWaalsContact C-N 3.31Å; R279-A281 PolarHBondContact O-N 2.79Å; R279-K282 WeakPolarHBondContact O-CB 3.45Å; R279-K282 PolarHBondContact O-N 2.74Å; R279-E283 PolarHBondContact O-N 2.85Å
280	K	44.2	Very low	42.8	Very low	94 Å²	94	76 Å²	76	41%	0.409	40%	0.396	S	S	.	.	H	α-helix	trans	-60	-42.9	173.5	-74	-179.5	-174.5	174.9	0	111.3	S276 S277 K282 E283 L284 E303	S276-K280 PolarHBondContact O-N 3.41Å; S277-K280 PolarHBondContact O-N 3.09Å; K280-K282 VanDerWaalsContact C-N 3.31Å; K280-K282 PolarHBondContact O-N 3.22Å; K280-E283 PolarHBondContact O-N 3.34Å; K280-L284 WeakPolarHBondContact O-CB 3.32Å; K280-L284 VanDerWaalsContact O-CG 3.25Å; K280-L284 WeakPolarHBondContact O-CG 3.3Å; K280-L284 PolarHBondContact O-N 3.4Å; K280-E303 IonicContact NZ-OE2 3.78Å; K280-E303 PolarHBondContact NZ-OE2 2.77Å
281	A	41.6	Very low	42.3	Very low	6 Å²	6	80.7 Å²	80.7	5%	0.05	43%	0.428	C	S	.	.	H	α-helix	trans	-57.3	-46.4	175.3	0	0	0	0	0	110.9	S277 L278 R279 L284 I285 L297 C300	S277-A281 WeakPolarHBondContact O-CB 3.37Å; S277-A281 PolarHBondContact O-N 3.28Å; L278-A281 WeakPolarHBondContact O-CB 3.41Å; L278-A281 PolarHBondContact O-N 2.87Å; R279-A281 VanDerWaalsContact C-N 3.31Å; R279-A281 PolarHBondContact O-N 2.79Å; A281-L284 PolarHBondContact O-N 3.27Å; A281-I285 WeakPolarHBondContact O-CD1 3.34Å; A281-I285 VanDerWaalsContact O-CG1 3.26Å; A281-I285 WeakPolarHBondContact O-CG1 3.5Å; A281-I285 PolarHBondContact O-N 2.93Å; A281-L297 HydrophobicContact CB-CD2 4.06Å; A281-C300 HydrophobicContact CB-CB 3.87Å
282	K	39.6	Very low	41.9	Very low	78 Å²	78	82.3 Å²	82.3	34%	0.339	43%	0.431	S	S	.	.	H	α-helix	trans	-57.3	-49.7	174.6	-174.9	179.6	-178.1	179.3	0	112.3	L278 R279 K280 L284 I285 G286 S429 E432	L278-K282 PolarHBondContact O-N 3.16Å; R279-K282 WeakPolarHBondContact O-CB 3.45Å; R279-K282 PolarHBondContact O-N 2.74Å; K280-K282 VanDerWaalsContact C-N 3.31Å; K280-K282 PolarHBondContact O-N 3.22Å; K282-L284 VanDerWaalsContact C-N 3.32Å; K282-L284 PolarHBondContact O-N 3.05Å; K282-I285 PolarHBondContact O-N 3.36Å; K282-G286 PolarHBondContact O-N 3.39Å; K282-S429 VanDerWaalsContact CD-O 3.31Å; K282-S429 WeakPolarHBondContact CD-O 3.3Å; K282-S429 VanDerWaalsContact CE-O 3.29Å; K282-S429 WeakPolarHBondContact CE-O 3.48Å; K282-S429 WeakPolarHBondContact CG-O 3.36Å; K282-E432 IonicContact NZ-OE1 2.66Å; K282-E432 PolarHBondContact NZ-OE1 3.12Å; K282-E432 IonicContact NZ-OE2 2.73Å
283	E	41.9	Very low	41.4	Very low	117 Å²	117	79.6 Å²	79.6	55%	0.547	42%	0.422	S	S	.	.	H	α-helix	trans	-62.2	-38.5	178.9	-73.6	177.4	-167.6	0	0	112.9	R279 K280 K287	R279-E283 PolarHBondContact O-N 2.85Å; K280-E283 PolarHBondContact O-N 3.34Å; E283-K287 PolarHBondContact O-N 2.83Å
284	L	41.4	Very low	40.9	Very low	59 Å²	59	82 Å²	82	31%	0.309	44%	0.437	S	S	.	.	H	α-helix	trans	-68.9	-40.8	178.3	-73.2	175.7	0	0	0	111.7	K280 A281 K282 K287 A288 K296	K280-L284 WeakPolarHBondContact O-CB 3.32Å; K280-L284 VanDerWaalsContact O-CG 3.25Å; K280-L284 WeakPolarHBondContact O-CG 3.3Å; K280-L284 PolarHBondContact O-N 3.4Å; A281-L284 PolarHBondContact O-N 3.27Å; K282-L284 VanDerWaalsContact C-N 3.32Å; K282-L284 PolarHBondContact O-N 3.05Å; L284-K287 PolarHBondContact O-N 2.83Å; L284-A288 WeakPolarHBondContact O-CB 3.38Å; L284-A288 PolarHBondContact O-N 2.95Å; L284-K296 HydrophobicContact CB-CD 4.28Å; L284-K296 HydrophobicContact CD1-CB 4.01Å; L284-K296 HydrophobicContact CD1-CD 4.22Å; L284-K296 HydrophobicContact CD1-CG 4.24Å; L284-K296 HydrophobicContact CD2-CD 4Å; L284-K296 HydrophobicContact CG-CD 4.39Å
285	I	37.4	Very low	40.6	Very low	41 Å²	41	84.9 Å²	84.9	21%	0.21	46%	0.461	C	S	.	.	H	α-helix	trans	-63.4	-44.7	175.1	-69.3	162.8	0	0	0	110.6	A281 K282 K287 I293 L297 L430	A281-I285 WeakPolarHBondContact O-CD1 3.34Å; A281-I285 VanDerWaalsContact O-CG1 3.26Å; A281-I285 WeakPolarHBondContact O-CG1 3.5Å; A281-I285 PolarHBondContact O-N 2.93Å; K282-I285 PolarHBondContact O-N 3.36Å; I285-K287 PolarHBondContact O-N 2.92Å; I285-K287 VanDerWaalsContact O-N 3.1Å; I285-I293 HydrophobicContact CG1-CG2 3.98Å; I285-L297 HydrophobicContact CD1-CD1 4.43Å; I285-L297 HydrophobicContact CD1-CD2 3.68Å; I285-L297 HydrophobicContact CD1-CG 4.38Å; I285-L297 HydrophobicContact CG1-CD2 4.18Å; I285-L297 HydrophobicContact CG1-CG 4.49Å; I285-L430 HydrophobicContact CD1-CD2 3.31Å
286	G	38.3	Very low	40.5	Very low	70 Å²	70	83.3 Å²	83.3	72%	0.722	45%	0.451	S	S	*	.	H	α-helix	trans	-63.6	-16.8	-179	0	0	0	0	0	115	K282	K282-G286 PolarHBondContact O-N 3.39Å
287	K	43.7	Very low	40.3	Very low	189 Å²	189	83.3 Å²	83.3	82%	0.822	45%	0.447	S	S	*	.	H	α-helix	trans	-119.6	-12.5	-175.7	-67.6	-177.7	179.6	175.9	0	115.1	E283 L284 I285	E283-K287 PolarHBondContact O-N 2.83Å; L284-K287 PolarHBondContact O-N 2.83Å; I285-K287 PolarHBondContact O-N 2.92Å; I285-K287 VanDerWaalsContact O-N 3.1Å
288	A	35.9	Very low	40.2	Very low	24 Å²	24	86.6 Å²	86.6	20%	0.198	47%	0.466	C	S	.	.			trans	-96.8	144.4	-169.3	0	0	0	0	0	113.4	L284 I293	L284-A288 WeakPolarHBondContact O-CB 3.38Å; L284-A288 PolarHBondContact O-N 2.95Å; A288-I293 HydrophobicContact CB-CG1 3.85Å
289	K	43.8	Very low	40.2	Very low	178 Å²	178	89.3 Å²	89.3	77%	0.774	48%	0.475	S	S	*	.			trans	-65.9	143.1	162.9	-66.5	-176.8	178.3	-178.4	0	109.6	S291 V292	K289-S291 PolarHBondContact O-N 3.07Å; K289-V292 PolarHBondContact O-N 2.76Å; K289-V292 VanDerWaalsContact O-N 3.11Å
290	S	43.6	Very low	40	Very low	103 Å²	103	81.5 Å²	81.5	72%	0.72	45%	0.447	S	S	*	.	H	α-helix	trans	-46.3	-39.6	-171.9	56.3	0	0	0	0	114.9	V292 I293	S290-V292 PolarHBondContact O-N 2.99Å; S290-V292 VanDerWaalsContact O-N 3.16Å; S290-I293 PolarHBondContact O-N 2.77Å
291	S	36.8	Very low	39.9	Very low	104 Å²	104	80.3 Å²	80.3	73%	0.727	45%	0.45	S	S	*	.	H	α-helix	trans	-63.2	-21.1	-175.5	46.2	0	0	0	0	114.9	K289	K289-S291 PolarHBondContact O-N 3.07Å
292	V	36.2	Very low	39.8	Very low	69 Å²	69	83.2 Å²	83.2	42%	0.418	46%	0.464	S	S	.	.	H	α-helix	trans	-107.9	-8	-177.9	-157.1	0	0	0	0	112.4	K289 S290 L294 K296	K289-V292 PolarHBondContact O-N 2.76Å; K289-V292 VanDerWaalsContact O-N 3.11Å; S290-V292 PolarHBondContact O-N 2.99Å; S290-V292 VanDerWaalsContact O-N 3.16Å; V292-L294 PolarHBondContact O-N 3.38Å; V292-K296 HydrophobicContact CG1-CD 4.15Å; V292-K296 HydrophobicContact CG1-CG 4.33Å; V292-K296 WeakPolarHBondContact O-CB 3.23Å; V292-K296 WeakPolarHBondContact O-CG 3.28Å; V292-K296 PolarHBondContact O-N 2.74Å
293	I	36.1	Very low	39.8	Very low	40 Å²	40	82.5 Å²	82.5	21%	0.205	46%	0.462	C	S	.	.	H	α-helix	trans	-63.8	-44.4	-174.9	-65.1	179.4	0	0	0	110.6	I285 A288 S290 K296 L297	I285-I293 HydrophobicContact CG1-CG2 3.98Å; A288-I293 HydrophobicContact CB-CG1 3.85Å; S290-I293 PolarHBondContact O-N 2.77Å; I293-K296 PolarHBondContact O-N 3.02Å; I293-L297 HydrophobicContact CG2-CD1 3.69Å; I293-L297 HydrophobicContact CG2-CG 4.07Å; I293-L297 WeakPolarHBondContact O-CB 3.36Å; I293-L297 WeakPolarHBondContact O-CG 3.46Å; I293-L297 PolarHBondContact O-N 3.17Å
294	L	36.8	Very low	39.7	Very low	126 Å²	126	80.2 Å²	80.2	66%	0.66	45%	0.451	S	S	*	.	H	α-helix	trans	-62.5	-49.3	-176.1	-169.1	71.6	0	0	0	112.2	V292 K296 L297 V298	V292-L294 PolarHBondContact O-N 3.38Å; L294-K296 PolarHBondContact O-N 3.02Å; L294-L297 PolarHBondContact O-N 2.98Å; L294-L297 VanDerWaalsContact O-N 3.16Å; L294-V298 WeakPolarHBondContact O-CG2 3.3Å; L294-V298 PolarHBondContact O-N 3.35Å
295	A	37.9	Very low	39.6	Very low	69 Å²	69	80 Å²	80	57%	0.57	45%	0.449	S	S	*	.	H	α-helix	trans	-60.2	-37.1	177.9	0	0	0	0	0	112.1	K299	A295-K299 WeakPolarHBondContact O-CB 3.47Å; A295-K299 PolarHBondContact O-N 3.03Å
296	K	41.4	Very low	39.7	Very low	75 Å²	75	82.2 Å²	82.2	33%	0.326	46%	0.462	S	S	.	.	H	α-helix	trans	-69.8	-40.7	176.1	-76.1	176	172	-171.6	0	112.4	L284 V292 I293 L294 K299 C300	L284-K296 HydrophobicContact CB-CD 4.28Å; L284-K296 HydrophobicContact CD1-CB 4.01Å; L284-K296 HydrophobicContact CD1-CD 4.22Å; L284-K296 HydrophobicContact CD1-CG 4.24Å; L284-K296 HydrophobicContact CD2-CD 4Å; L284-K296 HydrophobicContact CG-CD 4.39Å; V292-K296 HydrophobicContact CG1-CD 4.15Å; V292-K296 HydrophobicContact CG1-CG 4.33Å; V292-K296 WeakPolarHBondContact O-CB 3.23Å; V292-K296 WeakPolarHBondContact O-CG 3.28Å; V292-K296 PolarHBondContact O-N 2.74Å; I293-K296 PolarHBondContact O-N 3.02Å; L294-K296 PolarHBondContact O-N 3.02Å; K296-K299 PolarHBondContact O-N 3.12Å; K296-C300 PolarHBondContact O-N 2.8Å; K296-C300 PolarHBondContact O-SG 3.48Å; K296-C300 VanDerWaalsContact O-SG 3.34Å
297	L	40.9	Very low	39.7	Very low	54 Å²	54	79.4 Å²	79.4	28%	0.283	43%	0.432	S	S	.	.	H	α-helix	trans	-63.2	-46.7	174.8	-79.3	175.3	0	0	0	111.6	A281 I285 I293 L294 K299 C300 S301	A281-L297 HydrophobicContact CB-CD2 4.06Å; I285-L297 HydrophobicContact CD1-CD1 4.43Å; I285-L297 HydrophobicContact CD1-CD2 3.68Å; I285-L297 HydrophobicContact CD1-CG 4.38Å; I285-L297 HydrophobicContact CG1-CD2 4.18Å; I285-L297 HydrophobicContact CG1-CG 4.49Å; I293-L297 HydrophobicContact CG2-CD1 3.69Å; I293-L297 HydrophobicContact CG2-CG 4.07Å; I293-L297 WeakPolarHBondContact O-CB 3.36Å; I293-L297 WeakPolarHBondContact O-CG 3.46Å; I293-L297 PolarHBondContact O-N 3.17Å; L294-L297 PolarHBondContact O-N 2.98Å; L294-L297 VanDerWaalsContact O-N 3.16Å; L297-K299 VanDerWaalsContact C-N 3.31Å; L297-K299 PolarHBondContact O-N 3.19Å; L297-C300 CarbonylContact O-C 3.3Å; L297-C300 WeakPolarHBondContact O-CB 3.33Å; L297-C300 PolarHBondContact O-N 3.34Å; L297-C300 VanDerWaalsContact O-N 3.09Å; L297-S301 PolarHBondContact O-N 2.65Å; L297-S301 PolarHBondContact O-OG 2.94Å
298	V	40.4	Very low	39.3	Very low	78 Å²	78	72.3 Å²	72.3	47%	0.473	41%	0.405	S	S	.	.	H	α-helix	trans	-57.1	-46.5	175.3	171.5	0	0	0	0	110.4	L294 C300 S301 L302	L294-V298 WeakPolarHBondContact O-CG2 3.3Å; L294-V298 PolarHBondContact O-N 3.35Å; V298-C300 VanDerWaalsContact C-N 3.33Å; V298-C300 PolarHBondContact O-N 2.72Å; V298-S301 PolarHBondContact O-N 3.25Å; V298-L302 HydrophobicContact CG1-CD1 4Å; V298-L302 HydrophobicContact CG1-CG 4.41Å; V298-L302 VanDerWaalsContact O-CG 3.32Å; V298-L302 WeakPolarHBondContact O-CG 3.49Å; V298-L302 PolarHBondContact O-N 3.41Å
299	K	41.5	Very low	39.2	Very low	130 Å²	130	74.6 Å²	74.6	57%	0.565	41%	0.411	S	S	*	.	H	α-helix	trans	-59	-43.2	175.2	-173.6	177	178.9	176.6	0	112.1	A295 K296 L297 L302 E303	A295-K299 WeakPolarHBondContact O-CB 3.47Å; A295-K299 PolarHBondContact O-N 3.03Å; K296-K299 PolarHBondContact O-N 3.12Å; L297-K299 VanDerWaalsContact C-N 3.31Å; L297-K299 PolarHBondContact O-N 3.19Å; K299-L302 PolarHBondContact O-N 2.78Å; K299-E303 VanDerWaalsContact CE-OE1 3.32Å; K299-E303 WeakPolarHBondContact CE-OE1 3.45Å; K299-E303 WeakPolarHBondContact O-CG 3.29Å; K299-E303 PolarHBondContact O-N 2.95Å
300	C	41.2	Very low	38.6	Very low	8 Å²	8	69.4 Å²	69.4	5%	0.054	40%	0.397	C	S	.	.	H	α-helix	trans	-65.3	-38.9	176.3	-71.4	0	0	0	0	112.9	A281 K296 L297 V298 E303 F304	A281-C300 HydrophobicContact CB-CB 3.87Å; K296-C300 PolarHBondContact O-N 2.8Å; K296-C300 PolarHBondContact O-SG 3.48Å; K296-C300 VanDerWaalsContact O-SG 3.34Å; L297-C300 CarbonylContact O-C 3.3Å; L297-C300 WeakPolarHBondContact O-CB 3.33Å; L297-C300 PolarHBondContact O-N 3.34Å; L297-C300 VanDerWaalsContact O-N 3.09Å; V298-C300 VanDerWaalsContact C-N 3.33Å; V298-C300 PolarHBondContact O-N 2.72Å; C300-E303 PolarHBondContact O-N 2.76Å; C300-F304 VanDerWaalsContact O-CB 3.3Å; C300-F304 WeakPolarHBondContact O-CB 3.23Å; C300-F304 PolarHBondContact O-N 3.09Å
301	S	41.4	Very low	38	Very low	68 Å²	68	65 Å²	65	48%	0.476	37%	0.366	S	S	.	.	H	α-helix	trans	-64.9	-39.4	173.9	-64.1	0	0	0	0	111.8	L297 V298 F304 L305	L297-S301 PolarHBondContact O-N 2.65Å; L297-S301 PolarHBondContact O-OG 2.94Å; V298-S301 PolarHBondContact O-N 3.25Å; S301-F304 WeakPolarHBondContact O-CB 3.36Å; S301-F304 PolarHBondContact O-N 3.1Å; S301-L305 WeakPolarHBondContact O-CB 3.32Å; S301-L305 VanDerWaalsContact O-CG 3.28Å; S301-L305 WeakPolarHBondContact O-CG 3.3Å; S301-L305 PolarHBondContact O-N 2.75Å
302	L	38.6	Very low	37.7	Very low	68 Å²	68	65.1 Å²	65.1	36%	0.356	37%	0.367	S	S	.	.	H	α-helix	trans	-66.5	-42.2	173.7	-70.2	170.5	0	0	0	111.9	V298 K299 F304 L305 N306 F382	V298-L302 HydrophobicContact CG1-CD1 4Å; V298-L302 HydrophobicContact CG1-CG 4.41Å; V298-L302 VanDerWaalsContact O-CG 3.32Å; V298-L302 WeakPolarHBondContact O-CG 3.49Å; V298-L302 PolarHBondContact O-N 3.41Å; K299-L302 PolarHBondContact O-N 2.78Å; L302-F304 VanDerWaalsContact C-N 3.33Å; L302-L305 PolarHBondContact O-N 2.72Å; L302-N306 VanDerWaalsContact O-CB 3.32Å; L302-N306 WeakPolarHBondContact O-CB 3.38Å; L302-N306 PolarHBondContact O-N 3.42Å; L302-F382 HydrophobicContact CD2-CE1 3.78Å; L302-F382 HydrophobicContact CD2-CZ 4.46Å
303	E	41.5	Very low	37.3	Very low	63 Å²	63	69.9 Å²	69.9	29%	0.294	38%	0.378	S	S	.	.	H	α-helix	trans	-61	-42.5	173.3	-76.5	-179.9	-160.4	0	0	111.2	K280 K299 C300 A307	K280-E303 IonicContact NZ-OE2 3.78Å; K280-E303 PolarHBondContact NZ-OE2 2.77Å; K299-E303 VanDerWaalsContact CE-OE1 3.32Å; K299-E303 WeakPolarHBondContact CE-OE1 3.45Å; K299-E303 WeakPolarHBondContact O-CG 3.29Å; K299-E303 PolarHBondContact O-N 2.95Å; C300-E303 PolarHBondContact O-N 2.76Å; E303-A307 VanDerWaalsContact O-CB 3.3Å; E303-A307 WeakPolarHBondContact O-CB 3.49Å; E303-A307 PolarHBondContact O-N 3.37Å
304	F	39.8	Very low	36.8	Very low	69 Å²	69	68.2 Å²	68.2	30%	0.303	37%	0.371	S	S	.	.	H	α-helix	trans	-61.4	-48.2	174.2	178.5	-79.4	0	0	0	111.5	A274 L278 C300 S301 L302 A307 T308	A274-F304 HydrophobicContact CB-CD2 3.43Å; A274-F304 VanDerWaalsContact CB-CD2 3.43Å; A274-F304 HydrophobicContact CB-CE2 3.16Å; A274-F304 HydrophobicContact CB-CG 4.31Å; A274-F304 HydrophobicContact CB-CZ 3.84Å; A274-F304 WeakPolarHBondContact O-CD2 3.4Å; L278-F304 HydrophobicContact CD1-CE2 4.16Å; L278-F304 HydrophobicContact CG-CD2 4.28Å; L278-F304 HydrophobicContact CG-CE2 4.33Å; C300-F304 VanDerWaalsContact O-CB 3.3Å; C300-F304 WeakPolarHBondContact O-CB 3.23Å; C300-F304 PolarHBondContact O-N 3.09Å; S301-F304 WeakPolarHBondContact O-CB 3.36Å; S301-F304 PolarHBondContact O-N 3.1Å; L302-F304 VanDerWaalsContact C-N 3.33Å; F304-A307 WeakPolarHBondContact O-CB 3.37Å; F304-A307 PolarHBondContact O-N 3.31Å; F304-T308 HydrophobicContact CD1-CG2 4.4Å; F304-T308 HydrophobicContact CE1-CG2 4.08Å; F304-T308 PolarHBondContact O-N 3.44Å; F304-T308 PolarHBondContact O-OG1 3.01Å
305	L	38.2	Very low	36.3	Very low	53 Å²	53	67.5 Å²	67.5	28%	0.277	37%	0.368	S	S	.	.	H	α-helix	trans	-68.3	-44.1	-177.8	-75.7	170.6	0	0	0	112.1	S301 L302 A307 T308 Q309 T386	S301-L305 WeakPolarHBondContact O-CB 3.32Å; S301-L305 VanDerWaalsContact O-CG 3.28Å; S301-L305 WeakPolarHBondContact O-CG 3.3Å; S301-L305 PolarHBondContact O-N 2.75Å; L302-L305 PolarHBondContact O-N 2.72Å; L305-A307 PolarHBondContact O-N 2.96Å; L305-T308 WeakPolarHBondContact CA-OG1 3.22Å; L305-T308 CarbonylContact O-C 3.29Å; L305-T308 WeakPolarHBondContact O-CA 3.33Å; L305-T308 PolarHBondContact O-N 3.4Å; L305-T308 PolarHBondContact O-OG1 3.47Å; L305-Q309 WeakPolarHBondContact O-CG 3.42Å; L305-Q309 PolarHBondContact O-N 2.75Å; L305-T386 HydrophobicContact CD1-CG2 4.47Å
306	N	39.2	Very low	35.8	Very low	88 Å²	88	68.2 Å²	68.2	47%	0.471	37%	0.366	S	S	.	.	H	α-helix	trans	-59.2	-37.7	173.5	-86.6	-18.5	0	0	0	111.7	L302 T308 Q309 S310	L302-N306 VanDerWaalsContact O-CB 3.32Å; L302-N306 WeakPolarHBondContact O-CB 3.38Å; L302-N306 PolarHBondContact O-N 3.42Å; N306-T308 VanDerWaalsContact C-N 3.33Å; N306-Q309 PolarHBondContact O-N 3.13Å; N306-S310 WeakPolarHBondContact O-CB 3.2Å; N306-S310 PolarHBondContact O-N 2.75Å; N306-S310 PolarHBondContact O-OG 3.35Å
307	A	38.3	Very low	35.1	Very low	12 Å²	12	67.9 Å²	67.9	10%	0.099	37%	0.371	C	S	.	.	H	α-helix	trans	-65.7	-35.1	174	0	0	0	0	0	112.8	A270 H273 E303 F304 L305 S310	A270-A307 VanDerWaalsContact CB-O 3.29Å; A270-A307 WeakPolarHBondContact CB-O 3.35Å; H273-A307 HydrophobicContact CB-CB 3.41Å; H273-A307 VanDerWaalsContact CB-CB 3.41Å; E303-A307 VanDerWaalsContact O-CB 3.3Å; E303-A307 WeakPolarHBondContact O-CB 3.49Å; E303-A307 PolarHBondContact O-N 3.37Å; F304-A307 WeakPolarHBondContact O-CB 3.37Å; F304-A307 PolarHBondContact O-N 3.31Å; L305-A307 PolarHBondContact O-N 2.96Å; A307-S310 PolarHBondContact O-OG 3.45Å
308	T	35.1	Very low	34.3	Very low	40 Å²	40	66.8 Å²	66.8	25%	0.245	37%	0.37	C	S	.	.	H	α-helix	trans	-79.3	-30	174	55.5	0	0	0	0	113.6	F304 L305 N306 T311	F304-T308 HydrophobicContact CD1-CG2 4.4Å; F304-T308 HydrophobicContact CE1-CG2 4.08Å; F304-T308 PolarHBondContact O-N 3.44Å; F304-T308 PolarHBondContact O-OG1 3.01Å; L305-T308 WeakPolarHBondContact CA-OG1 3.22Å; L305-T308 CarbonylContact O-C 3.29Å; L305-T308 WeakPolarHBondContact O-CA 3.33Å; L305-T308 PolarHBondContact O-N 3.4Å; L305-T308 PolarHBondContact O-OG1 3.47Å; N306-T308 VanDerWaalsContact C-N 3.33Å; T308-T311 PolarHBondContact O-N 2.85Å; T308-T311 PolarHBondContact O-OG1 3.29Å
309	Q	34.2	Very low	33.8	Very low	71 Å²	71	66.6 Å²	66.6	33%	0.332	37%	0.366	S	S	.	.	H	α-helix	trans	-78.7	-28.8	178.7	-76.4	-174.6	-9.3	0	0	112.7	L305 N306 T311 S312 T386	L305-Q309 WeakPolarHBondContact O-CG 3.42Å; L305-Q309 PolarHBondContact O-N 2.75Å; N306-Q309 PolarHBondContact O-N 3.13Å; Q309-T311 PolarHBondContact O-N 3.5Å; Q309-S312 PolarHBondContact O-N 2.86Å; Q309-S312 VanDerWaalsContact O-N 3.07Å; Q309-T386 PolarHBondContact NE2-O 3.12Å
310	S	31	Very low	33.2	Very low	70 Å²	70	65.3 Å²	65.3	49%	0.49	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	2	169.6	44.6	0	0	0	0	113.4	N306 A307	N306-S310 WeakPolarHBondContact O-CB 3.2Å; N306-S310 PolarHBondContact O-N 2.75Å; N306-S310 PolarHBondContact O-OG 3.35Å; A307-S310 PolarHBondContact O-OG 3.45Å
311	T	32.1	Very low	32.4	Very low	10 Å²	10	66.4 Å²	66.4	6%	0.061	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	36.5	164.4	76.4	0	0	0	0	113.3	T266 A270 T308 Q309 Y313 A314	T266-T311 HydrophobicContact CG2-CG2 3.74Å; T266-T311 WeakPolarHBondContact O-CG2 3.28Å; A270-T311 HydrophobicContact CB-CG2 3.2Å; T308-T311 PolarHBondContact O-N 2.85Å; T308-T311 PolarHBondContact O-OG1 3.29Å; Q309-T311 PolarHBondContact O-N 3.5Å; T311-Y313 PolarHBondContact O-N 2.98Å; T311-A314 PolarHBondContact O-N 3.45Å
312	S	29.4	Very low	31.5	Very low	107 Å²	107	68.1 Å²	68.1	75%	0.748	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-8.2	175.3	63.9	0	0	0	0	115.4	Q309	Q309-S312 PolarHBondContact O-N 2.86Å; Q309-S312 VanDerWaalsContact O-N 3.07Å
313	Y	27.5	Very low	30.9	Very low	168 Å²	168	73.5 Å²	73.5	66%	0.659	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-8.8	170.3	-77	-82.7	0	0	0	115.3	C263 T311	C263-Y313 PolarHBondContact SG-O 3.21Å; C263-Y313 VanDerWaalsContact SG-O 3.37Å; T311-Y313 PolarHBondContact O-N 2.98Å
314	A	26.7	Very low	30.1	Very low	6 Å²	6	78.9 Å²	78.9	5%	0.05	42%	0.423	C	S	.	.	S	Bend	trans	-131.4	111.1	-174.2	0	0	0	0	0	110.1	R267 T311 P316	R267-A314 HydrophobicContact CB-CB 4.07Å; R267-A314 HydrophobicContact CG-CB 4.12Å; T311-A314 PolarHBondContact O-N 3.45Å; A314-P316 WeakPolarHBondContact O-CD 3.5Å; A314-P316 VanDerWaalsContact O-N 3.16Å
315	N	26.4	Very low	29.3	Very low	110 Å²	110	77.7 Å²	77.7	59%	0.588	42%	0.418	S	S	*	.			trans	-44.4	118.6	165.2	-162.1	-12.5	0	0	0	109.1	T317	N315-T317 PolarHBondContact O-N 2.77Å; N315-T317 PolarHBondContact OD1-OG1 3.11Å; N315-T317 VanDerWaalsContact OD1-OG1 3.14Å
316	P	26.6	Very low	28.5	Very low	84 Å²	84	76.9 Å²	76.9	55%	0.545	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-13.3	-172.6	-24.8	32.8	0	0	0	115	A314 A318	A314-P316 WeakPolarHBondContact O-CD 3.5Å; A314-P316 VanDerWaalsContact O-N 3.16Å; P316-A318 VanDerWaalsContact C-N 3.33Å; P316-A318 PolarHBondContact O-N 3.21Å
317	T	26.3	Very low	27.6	Very low	68 Å²	68	82.7 Å²	82.7	42%	0.417	44%	0.443	S	S	.	.	H	α-helix	trans	-61.3	-30.3	-175.4	33.8	0	0	0	0	114.8	N315 F393	N315-T317 PolarHBondContact O-N 2.77Å; N315-T317 PolarHBondContact OD1-OG1 3.11Å; N315-T317 VanDerWaalsContact OD1-OG1 3.14Å; T317-F393 HydrophobicContact CG2-CZ 4.02Å
318	A	25.1	Very low	26.8	Very low	31 Å²	31	85 Å²	85	26%	0.256	45%	0.453	S	S	.	.	H	α-helix	trans	-81.5	-22.1	-166.3	0	0	0	0	0	116.2	P316	P316-A318 VanDerWaalsContact C-N 3.33Å; P316-A318 PolarHBondContact O-N 3.21Å
319	L	29.3	Very low	26.1	Very low	75 Å²	75	89.2 Å²	89.2	39%	0.393	47%	0.474	S	S	.	.	H	α-helix	trans	-102	-18.1	-172	-113.8	171.2	0	0	0	115.9	R267 R268	R267-L319 VanDerWaalsContact C-CD1 3.41Å; R267-L319 HydrophobicContact CB-CD1 3.76Å; R267-L319 HydrophobicContact CG-CB 3.95Å; R267-L319 HydrophobicContact CG-CD1 3.4Å; R267-L319 VanDerWaalsContact CG-CD1 3.4Å; R267-L319 HydrophobicContact CG-CG 4.02Å; R267-L319 WeakPolarHBondContact O-CD1 3.38Å; R268-L319 HydrophobicContact CG-CD1 3.96Å
320	T	28.7	Very low	25.5	Very low	103 Å²	103	95.7 Å²	95.7	63%	0.632	50%	0.501	S	S	*	.	H	α-helix	trans	-83.3	-36.4	165.3	36.8	0	0	0	0	111.5	F325	T320-F325 WeakPolarHBondContact O-CD2 3.42Å; T320-F325 VanDerWaalsContact O-CE2 3.26Å; T320-F325 WeakPolarHBondContact O-CE2 3.48Å
321	A	24.1	Very low	25	Very low	31 Å²	31	96.3 Å²	96.3	26%	0.256	51%	0.51	S	S	.	.	H	α-helix	trans	-76.6	-58.5	-174.4	0	0	0	0	0	114	R323 F325 G326	A321-R323 PolarHBondContact O-N 3.06Å; A321-F325 CarbonylContact O-C 3.56Å; A321-F325 WeakPolarHBondContact O-CA 3.44Å; A321-F325 WeakPolarHBondContact O-CB 3.27Å; A321-F325 PolarHBondContact O-N 3.16Å; A321-G326 PolarHBondContact O-N 3.04Å
322	D	23.8	Very low	24.5	Very low	104 Å²	104	105.7 Å²	105.7	56%	0.556	55%	0.553	S	S	*	*	H	α-helix	trans	-74.7	-32.5	-156.1	-77.5	-22.4	0	0	0	116.8	G326	D322-G326 WeakPolarHBondContact O-CA 3.3Å; D322-G326 PolarHBondContact O-N 3.41Å
323	R	25.7	Very low	24.2	Very low	181 Å²	181	105.2 Å²	105.2	68%	0.683	55%	0.546	S	S	*	.	H	α-helix	trans	-95.3	-16	-177.2	-99.9	-175.5	176.9	-166.7	2	115.7	D227 A321	D227-R323 IonicContact OD2-CZ 3.75Å; D227-R323 VanDerWaalsContact OD2-CZ 3.3Å; D227-R323 IonicContact OD2-NH1 3.01Å; D227-R323 PolarHBondContact OD2-NH1 3.47Å; D227-R323 IonicContact OD2-NH2 3.3Å; D227-R323 PolarHBondContact OD2-NH2 3.26Å; A321-R323 PolarHBondContact O-N 3.06Å
324	Q	24.3	Very low	24	Very low	175 Å²	175	101 Å²	101	82%	0.818	53%	0.534	S	S	*	.	H	α-helix	trans	-107.4	-21.1	167.4	-70.8	-161.2	-19.5	0	0	113.7
325	F	23.4	Very low	24	Very low	44 Å²	44	105.2 Å²	105.2	19%	0.193	56%	0.564	C	S	.	*	H	α-helix	trans	-112.6	-5	177.5	-55.2	-103.6	0	0	0	114.7	T320 A321 K327 I328 M414	T320-F325 WeakPolarHBondContact O-CD2 3.42Å; T320-F325 VanDerWaalsContact O-CE2 3.26Å; T320-F325 WeakPolarHBondContact O-CE2 3.48Å; A321-F325 CarbonylContact O-C 3.56Å; A321-F325 WeakPolarHBondContact O-CA 3.44Å; A321-F325 WeakPolarHBondContact O-CB 3.27Å; A321-F325 PolarHBondContact O-N 3.16Å; F325-K327 PolarHBondContact O-N 3.26Å; F325-I328 HydrophobicContact CB-CD1 4.17Å; F325-I328 HydrophobicContact CD1-CD1 3.67Å; F325-I328 HydrophobicContact CG-CD1 4.28Å; F325-I328 WeakPolarHBondContact O-CB 3.42Å; F325-I328 PolarHBondContact O-N 3.45Å; F325-M414 HydrophobicContact CD1-CG 4.43Å; F325-M414 HydrophobicContact CE1-CE 3.94Å; F325-M414 HydrophobicContact CE1-CG 4.15Å; F325-M414 HydrophobicContact CE1-SD 3.97Å; F325-M414 HydrophobicContact CZ-CE 4Å; F325-M414 HydrophobicContact CZ-SD 4.38Å
326	G	20.7	Very low	24.1	Very low	36 Å²	36	106.3 Å²	106.3	37%	0.371	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61	-7.4	176.2	0	0	0	0	0	115.2	A321 D322	A321-G326 PolarHBondContact O-N 3.04Å; D322-G326 WeakPolarHBondContact O-CA 3.3Å; D322-G326 PolarHBondContact O-N 3.41Å
327	K	21.5	Very low	24.1	Very low	210 Å²	210	110.8 Å²	110.8	91%	0.913	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-3.9	168.7	-76.5	-172.4	175.7	-179.2	0	114.4	F325	F325-K327 PolarHBondContact O-N 3.26Å
328	I	21.4	Very low	24.5	Very low	61 Å²	61	110.5 Å²	110.5	31%	0.313	56%	0.564	S	S	.	*			trans	-104.8	-7.4	-171.7	-59.1	167	0	0	0	111.8	F325 K330 G413 E418	F325-I328 HydrophobicContact CB-CD1 4.17Å; F325-I328 HydrophobicContact CD1-CD1 3.67Å; F325-I328 HydrophobicContact CG-CD1 4.28Å; F325-I328 WeakPolarHBondContact O-CB 3.42Å; F325-I328 PolarHBondContact O-N 3.45Å; I328-K330 PolarHBondContact O-N 2.88Å; I328-G413 WeakPolarHBondContact CG2-O 3.44Å; I328-E418 HydrophobicContact CD1-CG 3.93Å
329	L	19.8	Very low	25.1	Very low	128 Å²	128	114 Å²	114	67%	0.67	57%	0.574	S	S	*	*			trans	-67.5	87.4	173.8	-73.1	161.7	0	0	0	111.8
330	K	21.1	Very low	25.3	Very low	207 Å²	207	110.5 Å²	110.5	90%	0.9	56%	0.557	S	S	*	*			trans	169.9	82.1	149.2	-94.9	162.9	-174.5	-175.3	0	111.2	I328	I328-K330 PolarHBondContact O-N 2.88Å
331	A	21.8	Very low	25.7	Very low	84 Å²	84	109.6 Å²	109.6	69%	0.694	55%	0.552	S	S	*	*			trans	-156.6	115.4	154.3	0	0	0	0	0	108.9	V333	A331-V333 PolarHBondContact O-N 3.16Å
332	E	20.7	Very low	26.1	Very low	207 Å²	207	111.2 Å²	111.2	97%	0.967	57%	0.566	S	S	*	*			trans	-62.6	109.9	170.9	-69.7	174.1	148.5	0	0	108.8
333	V	22.8	Very low	26.9	Very low	96 Å²	96	108.4 Å²	108.4	58%	0.582	55%	0.554	S	S	*	*			trans	-100.6	119	176.9	-177	0	0	0	0	109.5	A331 S335	A331-V333 PolarHBondContact O-N 3.16Å; V333-S335 PolarHBondContact O-N 2.82Å
334	D	25.1	Very low	27.6	Very low	79 Å²	79	105.2 Å²	105.2	42%	0.422	55%	0.55	S	S	.	.			trans	-69.1	119.7	-179.2	-161.7	-20.6	0	0	0	110.9	K336 Y337	D334-K336 HydrophobicContact CB-CG 4.44Å; D334-K336 PolarHBondContact O-N 2.9Å; D334-K336 WeakPolarHBondContact OD2-CD 3.24Å; D334-K336 WeakPolarHBondContact OD2-CE 3.48Å; D334-K336 IonicContact OD2-NZ 2.8Å; D334-K336 PolarHBondContact OD2-NZ 3.42Å; D334-Y337 HydrophobicContact CB-CD2 4.39Å; D334-Y337 HydrophobicContact CB-CE2 4.4Å
335	S	25.5	Very low	28.6	Very low	95 Å²	95	102.3 Å²	102.3	66%	0.664	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-59.2	-11.2	-173.2	61.1	0	0	0	0	116.2	V333 Y337 F338	V333-S335 PolarHBondContact O-N 2.82Å; S335-Y337 PolarHBondContact O-N 3.31Å; S335-F338 WeakPolarHBondContact O-CD2 3.07Å
336	K	28.1	Very low	29.6	Very low	134 Å²	134	104.6 Å²	104.6	58%	0.583	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-73.1	-5.2	-178.2	68.3	-164.8	-175.3	-154.2	0	115.2	D334	D334-K336 HydrophobicContact CB-CG 4.44Å; D334-K336 PolarHBondContact O-N 2.9Å; D334-K336 WeakPolarHBondContact OD2-CD 3.24Å; D334-K336 WeakPolarHBondContact OD2-CE 3.48Å; D334-K336 IonicContact OD2-NZ 2.8Å; D334-K336 PolarHBondContact OD2-NZ 3.42Å
337	Y	27.6	Very low	30.4	Very low	177 Å²	177	105.8 Å²	105.8	69%	0.694	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-103.1	5	-176.3	-67.7	-71.5	0	0	0	115.5	D334 S335 E339	D334-Y337 HydrophobicContact CB-CD2 4.39Å; D334-Y337 HydrophobicContact CB-CE2 4.4Å; S335-Y337 PolarHBondContact O-N 3.31Å; Y337-E339 PolarHBondContact O-N 2.95Å
338	F	33.9	Very low	31.2	Very low	63 Å²	63	100.8 Å²	100.8	28%	0.276	54%	0.54	S	S	.	.			trans	-78.9	122.2	176.3	-63.2	-71.4	0	0	0	109.7	S335 F347 Y410	S335-F338 WeakPolarHBondContact O-CD2 3.07Å; F338-F347 VanDerWaalsContact C-CD2 3.43Å; F338-F347 HydrophobicContact CB-CD2 3.57Å; F338-F347 HydrophobicContact CB-CE2 3.91Å; F338-F347 WeakPolarHBondContact O-CD2 3.26Å; F338-F347 PolarHBondContact O-N 3.27Å; F338-Y410 HydrophobicContact CE1-CD1 4.38Å; F338-Y410 HydrophobicContact CE1-CG 4.44Å; F338-Y410 WeakPolarHBondContact CZ-O 3.36Å
339	E	37.1	Very low	32	Very low	103 Å²	103	106.1 Å²	106.1	48%	0.481	56%	0.561	S	S	.	*	B	Isolated β-bridge	trans	-104.5	145.2	164.7	-68.3	-177.4	170.1	0	0	108.5	Y337 P341 K345 F347	Y337-E339 PolarHBondContact O-N 2.95Å; E339-P341 WeakPolarHBondContact O-CD 3.4Å; E339-K345 WeakPolarHBondContact CA-O 3.38Å; E339-F347 WeakPolarHBondContact O-CE2 3.25Å
340	C	34.4	Very low	32.7	Very low	3 Å²	3	104 Å²	104	2%	0.02	54%	0.544	C	S	.	.			trans	-61.4	122	171.7	170.9	0	0	0	0	108.9	A342 C343 L344 K345 F347	C340-A342 PolarHBondContact O-N 3.22Å; C340-A342 VanDerWaalsContact O-N 3.1Å; C340-C343 VanDerWaalsContact CB-SG 3.55Å; C340-C343 PolarHBondContact O-N 2.82Å; C340-C343 VanDerWaalsContact SG-SG 3.68Å; C340-L344 VanDerWaalsContact O-CA 3.26Å; C340-L344 WeakPolarHBondContact O-CA 3.45Å; C340-L344 PolarHBondContact O-N 3.47Å; C340-K345 PolarHBondContact N-O 3.44Å; C340-F347 HydrophobicContact CB-CE1 4.33Å; C340-F347 HydrophobicContact CB-CE2 4.37Å; C340-F347 HydrophobicContact CB-CZ 3.99Å
341	P	36.2	Very low	33.3	Very low	83 Å²	83	99.5 Å²	99.5	54%	0.539	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.9	-174.9	23.7	-33.1	0	0	0	113	E339	E339-P341 WeakPolarHBondContact O-CD 3.4Å
342	A	34.4	Very low	33.7	Very low	65 Å²	65	100.7 Å²	100.7	54%	0.537	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-35.8	177.8	0	0	0	0	0	113.6	C340 V403	C340-A342 PolarHBondContact O-N 3.22Å; C340-A342 VanDerWaalsContact O-N 3.1Å; A342-V403 HydrophobicContact CB-CG2 3.85Å
343	C	40.1	Very low	34.1	Very low	46 Å²	46	93.8 Å²	93.8	31%	0.311	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-0.2	-177.4	70.8	0	0	0	0	115.1	C340 K345	C340-C343 VanDerWaalsContact CB-SG 3.55Å; C340-C343 PolarHBondContact O-N 2.82Å; C340-C343 VanDerWaalsContact SG-SG 3.68Å; C343-K345 WeakPolarHBondContact O-CG 3.47Å; C343-K345 PolarHBondContact O-N 3.31Å
344	L	40.8	Very low	34.2	Very low	113 Å²	113	92.6 Å²	92.6	59%	0.592	50%	0.499	S	S	*	.			trans	50	39.8	175.7	-54.7	174.5	0	0	0	113	C340	C340-L344 VanDerWaalsContact O-CA 3.26Å; C340-L344 WeakPolarHBondContact O-CA 3.45Å; C340-L344 PolarHBondContact O-N 3.47Å
345	K	45.3	Very low	34.1	Very low	115 Å²	115	94.5 Å²	94.5	50%	0.5	52%	0.518	S	S	.	.			trans	-122.8	147.1	179.1	-73.2	-170.1	-176.2	-173.1	0	111.5	E339 C340 C343 F347	E339-K345 WeakPolarHBondContact CA-O 3.38Å; C340-K345 PolarHBondContact N-O 3.44Å; C343-K345 WeakPolarHBondContact O-CG 3.47Å; C343-K345 PolarHBondContact O-N 3.31Å; K345-F347 PolarHBondContact O-N 2.89Å
346	P	43.9	Very low	33.8	Very low	92 Å²	92	100.8 Å²	100.8	60%	0.597	53%	0.528	S	S	*	.	B	Isolated β-bridge	trans	-58.1	133.1	-178.2	-23.4	32.6	0	0	0	112.6	S348	P346-S348 PolarHBondContact O-N 3.36Å
347	F	37.6	Very low	33.5	Very low	61 Å²	61	98.6 Å²	98.6	27%	0.268	53%	0.525	S	S	.	.			trans	-65.3	112.9	176.9	-80.3	-82.8	0	0	0	110.4	F338 E339 C340 K345 W350	F338-F347 VanDerWaalsContact C-CD2 3.43Å; F338-F347 HydrophobicContact CB-CD2 3.57Å; F338-F347 HydrophobicContact CB-CE2 3.91Å; F338-F347 WeakPolarHBondContact O-CD2 3.26Å; F338-F347 PolarHBondContact O-N 3.27Å; E339-F347 WeakPolarHBondContact O-CE2 3.25Å; C340-F347 HydrophobicContact CB-CE1 4.33Å; C340-F347 HydrophobicContact CB-CE2 4.37Å; C340-F347 HydrophobicContact CB-CZ 3.99Å; K345-F347 PolarHBondContact O-N 2.89Å; F347-W350 HydrophobicContact CD1-CD2 4.36Å; F347-W350 HydrophobicContact CD1-CE3 4.29Å; F347-W350 HydrophobicContact CD1-CH2 4.32Å; F347-W350 HydrophobicContact CD1-CZ2 4.22Å; F347-W350 HydrophobicContact CD1-CZ3 4.32Å; F347-W350 HydrophobicContact CE1-CE3 4.09Å; F347-W350 AromaticContact CE1-CH2 3.7Å; F347-W350 HydrophobicContact CE1-CH2 3.7Å; F347-W350 HydrophobicContact CE1-CZ2 4.02Å; F347-W350 AromaticContact CE1-CZ3 3.71Å; F347-W350 HydrophobicContact CE1-CZ3 3.71Å; F347-W350 AromaticContact CZ-CH2 3.94Å; F347-W350 HydrophobicContact CZ-CH2 3.94Å; F347-W350 HydrophobicContact CZ-CZ2 4.28Å; F347-W350 HydrophobicContact CZ-CZ3 4.34Å
348	S	37.3	Very low	33.3	Very low	105 Å²	105	93.7 Å²	93.7	73%	0.734	52%	0.516	S	S	*	.			trans	-103.2	-7.5	-177.1	46.5	0	0	0	0	115.4	P346	P346-S348 PolarHBondContact O-N 3.36Å
349	K	38.1	Very low	32.8	Very low	172 Å²	172	95.9 Å²	95.9	75%	0.748	53%	0.53	S	S	*	.			trans	177.3	127.1	168.2	-101.2	151.8	-174.5	-171.9	0	109
350	W	36.1	Very low	32.1	Very low	84 Å²	84	97.1 Å²	97.1	32%	0.318	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	133.5	168.2	-66.1	106	0	0	0	109.2	F347 A405 Q407	F347-W350 HydrophobicContact CD1-CD2 4.36Å; F347-W350 HydrophobicContact CD1-CE3 4.29Å; F347-W350 HydrophobicContact CD1-CH2 4.32Å; F347-W350 HydrophobicContact CD1-CZ2 4.22Å; F347-W350 HydrophobicContact CD1-CZ3 4.32Å; F347-W350 HydrophobicContact CE1-CE3 4.09Å; F347-W350 AromaticContact CE1-CH2 3.7Å; F347-W350 HydrophobicContact CE1-CH2 3.7Å; F347-W350 HydrophobicContact CE1-CZ2 4.02Å; F347-W350 AromaticContact CE1-CZ3 3.71Å; F347-W350 HydrophobicContact CE1-CZ3 3.71Å; F347-W350 AromaticContact CZ-CH2 3.94Å; F347-W350 HydrophobicContact CZ-CH2 3.94Å; F347-W350 HydrophobicContact CZ-CZ2 4.28Å; F347-W350 HydrophobicContact CZ-CZ3 4.34Å; W350-A405 HydrophobicContact CH2-CB 4.34Å; W350-A405 HydrophobicContact CZ3-CB 4.47Å; W350-Q407 HydrophobicContact CZ2-CG 4.03Å
351	E	31.9	Very low	31.5	Very low	112 Å²	112	104.5 Å²	104.5	52%	0.523	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.6	123.2	168.2	-73.6	177	-175.4	0	0	108.2	K397	E351-K397 PolarHBondContact O-N 2.81Å
352	S	30.8	Very low	31	Very low	109 Å²	109	108.6 Å²	108.6	76%	0.762	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-57.3	126.8	168.7	-47.8	0	0	0	0	107.7	S354	S352-S354 PolarHBondContact O-N 2.93Å
353	P	28.4	Very low	30.4	Very low	62 Å²	62	116.1 Å²	116.1	40%	0.403	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-57.2	116.9	174.9	23.9	-32.5	0	0	0	107.7	S355 L395	P353-S355 PolarHBondContact O-N 3.5Å; P353-L395 WeakPolarHBondContact CD-O 3.41Å; P353-L395 WeakPolarHBondContact CG-O 3.48Å
354	S	24.7	Very low	29.6	Very low	71 Å²	71	120 Å²	120	50%	0.497	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-58.8	138.5	175.5	79.2	0	0	0	0	107.6	S352 R356 T357	S352-S354 PolarHBondContact O-N 2.93Å; S354-R356 PolarHBondContact O-N 3.25Å; S354-T357 PolarHBondContact O-N 3.47Å; S354-T357 PolarHBondContact O-OG1 2.97Å; S354-T357 PolarHBondContact OG-OG1 3.19Å
355	S	23.2	Very low	28.8	Very low	120 Å²	120	119.1 Å²	119.1	84%	0.839	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	-4.7	178.5	52	0	0	0	0	114.4	P353	P353-S355 PolarHBondContact O-N 3.5Å
356	R	20.4	Very low	27.8	Very low	227 Å²	227	120.9 Å²	120.9	86%	0.857	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-8.6	175.8	-72.7	-173.8	170.5	-170.7	-3.1	115.2	S354 C358	S354-R356 PolarHBondContact O-N 3.25Å; R356-C358 PolarHBondContact O-N 2.97Å
357	T	22	Very low	26.9	Very low	87 Å²	87	119.8 Å²	119.8	53%	0.534	63%	0.633	S	S	.	*	S	Bend	trans	-82.9	-0.5	179.6	-4.3	0	0	0	0	113.6	S354	S354-T357 PolarHBondContact O-N 3.47Å; S354-T357 PolarHBondContact O-OG1 2.97Å; S354-T357 PolarHBondContact OG-OG1 3.19Å
358	C	22	Very low	26.3	Very low	75 Å²	75	125.9 Å²	125.9	51%	0.507	66%	0.663	S	S	.	*	S	Bend	trans	-94.2	123.3	-179.5	-66	0	0	0	0	111.1	R356 N360	R356-C358 PolarHBondContact O-N 2.97Å; C358-N360 PolarHBondContact O-N 3.39Å; C358-N360 VanDerWaalsContact O-N 3.09Å
359	I	23.3	Very low	25.9	Very low	109 Å²	109	125.9 Å²	125.9	56%	0.559	66%	0.658	S	S	*	*	S	Bend	trans	82.7	-33.2	150.3	-55.8	161.2	0	0	0	117.3
360	N	22.6	Very low	25.2	Very low	129 Å²	129	127.1 Å²	127.1	69%	0.69	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-88.2	-25.8	-169	-76.8	-27.2	0	0	0	117.3	C358 H362	C358-N360 PolarHBondContact O-N 3.39Å; C358-N360 VanDerWaalsContact O-N 3.09Å; N360-H362 VanDerWaalsContact C-N 3.28Å; N360-H362 PolarHBondContact O-N 3.01Å
361	D	23.2	Very low	24.8	Very low	158 Å²	158	131.1 Å²	131.1	85%	0.845	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-84.3	2.7	-173.1	-88.6	-5.8	0	0	0	114.8
362	H	25.1	Very low	24.5	Very low	168 Å²	168	129.4 Å²	129.4	78%	0.778	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-108	22.1	172.3	-70.1	-36.5	0	0	0	114	N360 I364	N360-H362 VanDerWaalsContact C-N 3.28Å; N360-H362 PolarHBondContact O-N 3.01Å; H362-I364 PolarHBondContact O-N 3.35Å
363	R	21.9	Very low	24.3	Very low	223 Å²	223	126.9 Å²	126.9	84%	0.842	67%	0.674	S	S	*	*			trans	-59.7	90.8	145.5	-87.5	-172.7	175.4	-169.6	-1	106.8	S365	R363-S365 PolarHBondContact O-N 3.33Å
364	I	23.2	Very low	24.2	Very low	128 Å²	128	130.1 Å²	130.1	66%	0.656	69%	0.688	S	S	*	*			trans	-59.7	89.8	168.8	-61.6	173.4	0	0	0	105.4	H362 N366	H362-I364 PolarHBondContact O-N 3.35Å; I364-N366 PolarHBondContact O-N 2.82Å
365	S	23.7	Very low	24.3	Very low	94 Å²	94	132.8 Å²	132.8	66%	0.657	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	126.1	162.2	41.5	0	0	0	0	105.6	R363	R363-S365 PolarHBondContact O-N 3.33Å
366	N	25.6	Very low	24.4	Very low	152 Å²	152	129.8 Å²	129.8	81%	0.813	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	104.9	23.8	169.3	-47.1	-23.7	0	0	0	118.7	I364	I364-N366 PolarHBondContact O-N 2.82Å
367	C	23.1	Very low	24.6	Very low	69 Å²	69	123 Å²	123	47%	0.466	66%	0.655	S	S	.	*			trans	-106.8	92.4	166.6	-66.7	0	0	0	0	111.8	T369 I373	C367-T369 PolarHBondContact O-N 3.31Å; C367-T369 VanDerWaalsContact O-N 3.17Å; C367-I373 HydrophobicContact CB-CD1 3.48Å; C367-I373 VanDerWaalsContact CB-CD1 3.48Å
368	E	25.9	Very low	24.8	Very low	190 Å²	190	122.9 Å²	122.9	89%	0.888	65%	0.654	S	S	*	*			trans	-78.6	27.9	175.8	-66.3	-175	151.6	0	0	113.8
369	T	27.9	Very low	25	Very low	104 Å²	104	123.7 Å²	123.7	64%	0.638	65%	0.652	S	S	*	*			trans	-128.9	113.3	-176.7	52	0	0	0	0	111.3	C367 D371 I373	C367-T369 PolarHBondContact O-N 3.31Å; C367-T369 VanDerWaalsContact O-N 3.17Å; T369-D371 PolarHBondContact O-N 2.98Å; T369-I373 WeakPolarHBondContact O-CD1 3.43Å
370	F	23.9	Very low	25.1	Very low	198 Å²	198	124 Å²	124	87%	0.868	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	13.9	-152.5	-119.5	-88.3	0	0	0	117.7
371	D	28.3	Very low	25.2	Very low	169 Å²	169	121.7 Å²	121.7	90%	0.904	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	-14.3	-171.6	-73.8	-32.1	0	0	0	116.6	T369	T369-D371 PolarHBondContact O-N 2.98Å
372	A	25.3	Very low	25.4	Very low	75 Å²	75	118.6 Å²	118.6	62%	0.62	62%	0.621	S	S	*	*	S	Bend	trans	-109.7	-12	-178.8	0	0	0	0	0	114.2	S376	A372-S376 PolarHBondContact O-OG 3.43Å
373	I	25.9	Very low	25.4	Very low	56 Å²	56	112.6 Å²	112.6	29%	0.287	60%	0.597	S	S	.	*	H	α-helix	trans	-81.2	-34.1	-167.9	-64.9	174.2	0	0	0	111.6	C367 T369 L375 S376 I377	C367-I373 HydrophobicContact CB-CD1 3.48Å; C367-I373 VanDerWaalsContact CB-CD1 3.48Å; T369-I373 WeakPolarHBondContact O-CD1 3.43Å; I373-L375 VanDerWaalsContact C-N 3.33Å; I373-L375 PolarHBondContact O-N 3Å; I373-S376 PolarHBondContact O-N 2.83Å; I373-S376 PolarHBondContact O-OG 2.81Å; I373-I377 HydrophobicContact CG2-CD1 3.44Å; I373-I377 VanDerWaalsContact CG2-CD1 3.44Å; I373-I377 HydrophobicContact CG2-CG1 4Å; I373-I377 WeakPolarHBondContact O-CG1 2.94Å; I373-I377 PolarHBondContact O-N 2.62Å
374	D	26.6	Very low	25.6	Very low	131 Å²	131	103.5 Å²	103.5	70%	0.701	57%	0.57	S	S	*	*	H	α-helix	trans	-67	-36.2	-177.2	-116	-13.5	0	0	0	112	V378	D374-V378 VanDerWaalsContact O-CB 3.23Å; D374-V378 WeakPolarHBondContact O-CB 3.5Å; D374-V378 WeakPolarHBondContact O-CG2 3.39Å; D374-V378 PolarHBondContact O-N 3.14Å
375	L	27.7	Very low	25.7	Very low	127 Å²	127	103.6 Å²	103.6	67%	0.665	57%	0.571	S	S	*	*	H	α-helix	trans	-73.1	-35.2	178.6	-153.8	78.4	0	0	0	112.3	I373 I379	I373-L375 VanDerWaalsContact C-N 3.33Å; I373-L375 PolarHBondContact O-N 3Å; L375-I379 HydrophobicContact CD2-CD1 4.13Å; L375-I379 HydrophobicContact CG-CD1 3.96Å; L375-I379 VanDerWaalsContact O-CB 3.3Å; L375-I379 WeakPolarHBondContact O-CB 3.46Å; L375-I379 VanDerWaalsContact O-CD1 3.3Å; L375-I379 WeakPolarHBondContact O-CD1 3.45Å; L375-I379 WeakPolarHBondContact O-CG1 3.43Å; L375-I379 PolarHBondContact O-N 2.75Å
376	S	24.5	Very low	25.8	Very low	57 Å²	57	99.9 Å²	99.9	40%	0.399	54%	0.544	S	S	.	.	H	α-helix	trans	-78.7	-35.1	-177.1	37.3	0	0	0	0	112.7	A372 I373 I379 L380	A372-S376 PolarHBondContact O-OG 3.43Å; I373-S376 PolarHBondContact O-N 2.83Å; I373-S376 PolarHBondContact O-OG 2.81Å; S376-I379 PolarHBondContact O-N 2.92Å; S376-L380 WeakPolarHBondContact O-CB 3.32Å; S376-L380 WeakPolarHBondContact O-CG 3.5Å; S376-L380 PolarHBondContact O-N 2.83Å
377	I	25.7	Very low	25.9	Very low	84 Å²	84	96.5 Å²	96.5	43%	0.431	52%	0.523	S	S	.	.	H	α-helix	trans	-66.2	-46.1	169.2	-66.5	178.1	0	0	0	109.9	I373 I379 L380 D381	I373-I377 HydrophobicContact CG2-CD1 3.44Å; I373-I377 VanDerWaalsContact CG2-CD1 3.44Å; I373-I377 HydrophobicContact CG2-CG1 4Å; I373-I377 WeakPolarHBondContact O-CG1 2.94Å; I373-I377 PolarHBondContact O-N 2.62Å; I377-I379 VanDerWaalsContact C-N 3.3Å; I377-I379 PolarHBondContact O-N 3.1Å; I377-L380 PolarHBondContact O-N 2.94Å; I377-D381 WeakPolarHBondContact O-CB 3.42Å; I377-D381 PolarHBondContact O-N 3.34Å
378	V	25.4	Very low	26.1	Very low	85 Å²	85	96.9 Å²	96.9	52%	0.515	52%	0.517	S	S	.	.	H	α-helix	trans	-60.7	-40.8	175.5	172.6	0	0	0	0	110.8	D374 F382	D374-V378 VanDerWaalsContact O-CB 3.23Å; D374-V378 WeakPolarHBondContact O-CB 3.5Å; D374-V378 WeakPolarHBondContact O-CG2 3.39Å; D374-V378 PolarHBondContact O-N 3.14Å; V378-F382 WeakPolarHBondContact O-CA 3.21Å; V378-F382 WeakPolarHBondContact O-CB 3.47Å; V378-F382 PolarHBondContact O-N 3Å
379	I	25.8	Very low	26	Very low	91 Å²	91	91.1 Å²	91.1	47%	0.467	50%	0.497	S	S	.	.	H	α-helix	trans	-67	-41.1	176.7	-71	162.4	0	0	0	111.5	L375 S376 I377 C383	L375-I379 HydrophobicContact CD2-CD1 4.13Å; L375-I379 HydrophobicContact CG-CD1 3.96Å; L375-I379 VanDerWaalsContact O-CB 3.3Å; L375-I379 WeakPolarHBondContact O-CB 3.46Å; L375-I379 VanDerWaalsContact O-CD1 3.3Å; L375-I379 WeakPolarHBondContact O-CD1 3.45Å; L375-I379 WeakPolarHBondContact O-CG1 3.43Å; L375-I379 PolarHBondContact O-N 2.75Å; S376-I379 PolarHBondContact O-N 2.92Å; I377-I379 VanDerWaalsContact C-N 3.3Å; I377-I379 PolarHBondContact O-N 3.1Å; I379-C383 VanDerWaalsContact O-CB 3.23Å; I379-C383 WeakPolarHBondContact O-CB 3.26Å; I379-C383 PolarHBondContact O-N 3.12Å; I379-C383 PolarHBondContact O-SG 3.3Å
380	L	24.9	Very low	26	Very low	116 Å²	116	90.3 Å²	90.3	61%	0.607	49%	0.488	S	S	*	.	H	α-helix	trans	-73.8	-44.3	-178.5	-82.4	164.2	0	0	0	112.7	S376 I377 F382 C383 A384	S376-L380 WeakPolarHBondContact O-CB 3.32Å; S376-L380 WeakPolarHBondContact O-CG 3.5Å; S376-L380 PolarHBondContact O-N 2.83Å; I377-L380 PolarHBondContact O-N 2.94Å; L380-F382 VanDerWaalsContact C-N 3.31Å; L380-C383 PolarHBondContact O-N 3.21Å; L380-A384 WeakPolarHBondContact O-CB 3.31Å; L380-A384 PolarHBondContact O-N 2.93Å
381	D	26.3	Very low	26.1	Very low	80 Å²	80	84 Å²	84	43%	0.428	46%	0.463	S	S	.	.	H	α-helix	trans	-65.7	-38.2	173.1	-78.1	-17.6	0	0	0	110.4	I377 A384 L385	I377-D381 WeakPolarHBondContact O-CB 3.42Å; I377-D381 PolarHBondContact O-N 3.34Å; D381-A384 PolarHBondContact O-N 3.35Å; D381-L385 VanDerWaalsContact O-CB 3.32Å; D381-L385 WeakPolarHBondContact O-CB 3.26Å; D381-L385 WeakPolarHBondContact O-CG 3.01Å; D381-L385 PolarHBondContact O-N 2.92Å
382	F	27.1	Very low	26	Very low	94 Å²	94	81.9 Å²	81.9	41%	0.412	45%	0.452	S	S	.	.	H	α-helix	trans	-64.4	-44.9	172.2	-172.2	-95.5	0	0	0	110.4	L302 V378 L380 A384 L385 T386	L302-F382 HydrophobicContact CD2-CE1 3.78Å; L302-F382 HydrophobicContact CD2-CZ 4.46Å; V378-F382 WeakPolarHBondContact O-CA 3.21Å; V378-F382 WeakPolarHBondContact O-CB 3.47Å; V378-F382 PolarHBondContact O-N 3Å; L380-F382 VanDerWaalsContact C-N 3.31Å; F382-A384 PolarHBondContact O-N 3.39Å; F382-L385 PolarHBondContact O-N 3.46Å; F382-T386 VanDerWaalsContact CD1-OG1 3.25Å; F382-T386 WeakPolarHBondContact CD1-OG1 3.27Å; F382-T386 HydrophobicContact CE1-CG2 4.22Å; F382-T386 WeakPolarHBondContact CE1-OG1 3.02Å; F382-T386 WeakPolarHBondContact O-CA 3.16Å; F382-T386 WeakPolarHBondContact O-CB 3.25Å; F382-T386 PolarHBondContact O-N 2.87Å; F382-T386 PolarHBondContact O-OG1 3.16Å
383	C	25.5	Very low	26.2	Very low	42 Å²	42	81 Å²	81	28%	0.284	43%	0.434	S	S	.	.	H	α-helix	trans	-60.2	-46.8	174.2	-77.9	0	0	0	0	111.1	I379 L380 L385 T386 F387	I379-C383 VanDerWaalsContact O-CB 3.23Å; I379-C383 WeakPolarHBondContact O-CB 3.26Å; I379-C383 PolarHBondContact O-N 3.12Å; I379-C383 PolarHBondContact O-SG 3.3Å; L380-C383 PolarHBondContact O-N 3.21Å; C383-L385 PolarHBondContact O-N 3.33Å; C383-T386 PolarHBondContact O-N 2.75Å; C383-F387 HydrophobicContact CB-CD2 3.81Å; C383-F387 HydrophobicContact CB-CE2 3.75Å; C383-F387 VanDerWaalsContact O-CB 3.23Å; C383-F387 WeakPolarHBondContact O-CB 2.99Å; C383-F387 WeakPolarHBondContact O-CD2 3.29Å; C383-F387 WeakPolarHBondContact O-CG 3.45Å; C383-F387 PolarHBondContact O-N 2.74Å
384	A	25.2	Very low	26.3	Very low	31 Å²	31	85.8 Å²	85.8	26%	0.256	46%	0.455	S	S	.	.	H	α-helix	trans	-60.5	-45.1	179	0	0	0	0	0	112	L380 D381 F382 Q388	L380-A384 WeakPolarHBondContact O-CB 3.31Å; L380-A384 PolarHBondContact O-N 2.93Å; D381-A384 PolarHBondContact O-N 3.35Å; F382-A384 PolarHBondContact O-N 3.39Å; A384-Q388 PolarHBondContact O-N 3Å
385	L	25.4	Very low	26.5	Very low	130 Å²	130	81.2 Å²	81.2	68%	0.681	43%	0.43	S	S	*	.	H	α-helix	trans	-69.9	-37.3	174.7	-78.2	159.8	0	0	0	112.8	D381 F382 C383 Q388	D381-L385 VanDerWaalsContact O-CB 3.32Å; D381-L385 WeakPolarHBondContact O-CB 3.26Å; D381-L385 WeakPolarHBondContact O-CG 3.01Å; D381-L385 PolarHBondContact O-N 2.92Å; F382-L385 PolarHBondContact O-N 3.46Å; C383-L385 PolarHBondContact O-N 3.33Å; L385-Q388 WeakPolarHBondContact O-CB 3.29Å; L385-Q388 PolarHBondContact O-N 2.87Å
386	T	26.3	Very low	26.9	Very low	16 Å²	16	75.7 Å²	75.7	10%	0.098	40%	0.402	C	S	.	.	H	α-helix	trans	-74.5	-33.7	-177.3	-62.2	0	0	0	0	111.7	L305 Q309 F382 C383	L305-T386 HydrophobicContact CD1-CG2 4.47Å; Q309-T386 PolarHBondContact NE2-O 3.12Å; F382-T386 VanDerWaalsContact CD1-OG1 3.25Å; F382-T386 WeakPolarHBondContact CD1-OG1 3.27Å; F382-T386 HydrophobicContact CE1-CG2 4.22Å; F382-T386 WeakPolarHBondContact CE1-OG1 3.02Å; F382-T386 WeakPolarHBondContact O-CA 3.16Å; F382-T386 WeakPolarHBondContact O-CB 3.25Å; F382-T386 PolarHBondContact O-N 2.87Å; F382-T386 PolarHBondContact O-OG1 3.16Å; C383-T386 PolarHBondContact O-N 2.75Å
387	F	27.1	Very low	27.5	Very low	82 Å²	82	76.6 Å²	76.6	36%	0.36	40%	0.399	S	S	.	.	S	Bend	trans	-90	-3	174.3	-63.8	-61.1	0	0	0	112.3	C383 P389 L390 L391	C383-F387 HydrophobicContact CB-CD2 3.81Å; C383-F387 HydrophobicContact CB-CE2 3.75Å; C383-F387 VanDerWaalsContact O-CB 3.23Å; C383-F387 WeakPolarHBondContact O-CB 2.99Å; C383-F387 WeakPolarHBondContact O-CD2 3.29Å; C383-F387 WeakPolarHBondContact O-CG 3.45Å; C383-F387 PolarHBondContact O-N 2.74Å; F387-P389 VanDerWaalsContact C-CD 3.43Å; F387-P389 VanDerWaalsContact C-N 3.27Å; F387-P389 VanDerWaalsContact O-N 3.15Å; F387-L390 HydrophobicContact CB-CB 4.48Å; F387-L390 HydrophobicContact CD1-CD1 3.75Å; F387-L390 HydrophobicContact CE1-CD1 4.33Å; F387-L390 CarbonylContact O-C 3.26Å; F387-L390 VanDerWaalsContact O-C 3.29Å; F387-L390 WeakPolarHBondContact O-CA 3.46Å; F387-L390 VanDerWaalsContact O-CB 3.28Å; F387-L390 WeakPolarHBondContact O-CB 3.43Å; F387-L390 PolarHBondContact O-N 2.73Å; F387-L391 WeakPolarHBondContact O-CG 3.11Å; F387-L391 PolarHBondContact O-N 2.98Å
388	Q	26.5	Very low	28.2	Very low	76 Å²	76	73.2 Å²	73.2	36%	0.355	38%	0.383	S	S	.	.	H	α-helix	trans	-51.5	-39	179.4	-164.6	71.7	39	0	0	113.3	A384 L385 L390 L391 D392	A384-Q388 PolarHBondContact O-N 3Å; L385-Q388 WeakPolarHBondContact O-CB 3.29Å; L385-Q388 PolarHBondContact O-N 2.87Å; Q388-L390 VanDerWaalsContact C-N 3.29Å; Q388-L390 PolarHBondContact O-N 3.33Å; Q388-L391 CarbonylContact O-C 3.43Å; Q388-L391 WeakPolarHBondContact O-CA 3.3Å; Q388-L391 WeakPolarHBondContact O-CB 3.14Å; Q388-L391 PolarHBondContact O-N 2.75Å; Q388-D392 PolarHBondContact O-N 2.86Å
389	P	25.7	Very low	29	Very low	70 Å²	70	72 Å²	72	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-69.5	-23.5	173.3	-19.6	33.5	0	0	0	114.1	F387	F387-P389 VanDerWaalsContact C-CD 3.43Å; F387-P389 VanDerWaalsContact C-N 3.27Å; F387-P389 VanDerWaalsContact O-N 3.15Å
390	L	26.6	Very low	29.8	Very low	86 Å²	86	77 Å²	77	45%	0.45	39%	0.391	S	S	.	.	H	α-helix	trans	-81.7	-17.8	166.6	-80.7	162.4	0	0	0	112.4	F387 Q388 F393	F387-L390 HydrophobicContact CB-CB 4.48Å; F387-L390 HydrophobicContact CD1-CD1 3.75Å; F387-L390 HydrophobicContact CE1-CD1 4.33Å; F387-L390 CarbonylContact O-C 3.26Å; F387-L390 VanDerWaalsContact O-C 3.29Å; F387-L390 WeakPolarHBondContact O-CA 3.46Å; F387-L390 VanDerWaalsContact O-CB 3.28Å; F387-L390 WeakPolarHBondContact O-CB 3.43Å; F387-L390 PolarHBondContact O-N 2.73Å; Q388-L390 VanDerWaalsContact C-N 3.29Å; Q388-L390 PolarHBondContact O-N 3.33Å; L390-F393 HydrophobicContact CD2-CD2 4.32Å; L390-F393 HydrophobicContact CD2-CE2 4.46Å; L390-F393 WeakPolarHBondContact O-CB 3.1Å
391	L	26	Very low	30.6	Very low	65 Å²	65	74.3 Å²	74.3	34%	0.34	38%	0.381	S	S	.	.	H	α-helix	trans	-86.4	-20.3	170.1	-59	177.4	0	0	0	112	F387 Q388 F393 L395	F387-L391 WeakPolarHBondContact O-CG 3.11Å; F387-L391 PolarHBondContact O-N 2.98Å; Q388-L391 CarbonylContact O-C 3.43Å; Q388-L391 WeakPolarHBondContact O-CA 3.3Å; Q388-L391 WeakPolarHBondContact O-CB 3.14Å; Q388-L391 PolarHBondContact O-N 2.75Å; L391-F393 CarbonylContact C-O 3.44Å; L391-F393 VanDerWaalsContact C-O 3.28Å; L391-L395 HydrophobicContact CD2-CD1 3.38Å
392	D	27.7	Very low	30.9	Very low	126 Å²	126	72 Å²	72	67%	0.674	38%	0.376	S	S	*	.	S	Bend	trans	-75.6	-12.8	168.5	-71.3	-16	0	0	0	111.2	Q388	Q388-D392 PolarHBondContact O-N 2.86Å
393	F	27.8	Very low	31.4	Very low	55 Å²	55	70.5 Å²	70.5	24%	0.241	38%	0.375	C	S	.	.	S	Bend	trans	-68.1	128.6	151.2	-79	-96.8	0	0	0	107.2	T317 L390 L391 L395 D408	T317-F393 HydrophobicContact CG2-CZ 4.02Å; L390-F393 HydrophobicContact CD2-CD2 4.32Å; L390-F393 HydrophobicContact CD2-CE2 4.46Å; L390-F393 WeakPolarHBondContact O-CB 3.1Å; L391-F393 CarbonylContact C-O 3.44Å; L391-F393 VanDerWaalsContact C-O 3.28Å; F393-L395 PolarHBondContact O-N 3.31Å; F393-D408 HydrophobicContact CD1-CB 4.35Å; F393-D408 HydrophobicContact CE1-CB 4.37Å
394	E	29.6	Very low	31.7	Very low	158 Å²	158	73 Å²	73	74%	0.738	39%	0.385	S	S	*	.			trans	-58.9	81.7	173.9	-70.2	-172.7	158	0	0	110.4	S396	E394-S396 PolarHBondContact O-N 2.64Å; E394-S396 VanDerWaalsContact O-N 3.16Å
395	L	30.7	Very low	32.1	Very low	34 Å²	34	72.4 Å²	72.4	18%	0.178	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	116.7	175.6	-73.3	179.5	0	0	0	106.6	P353 L391 F393 L404	P353-L395 WeakPolarHBondContact CD-O 3.41Å; P353-L395 WeakPolarHBondContact CG-O 3.48Å; L391-L395 HydrophobicContact CD2-CD1 3.38Å; F393-L395 PolarHBondContact O-N 3.31Å; L395-L404 HydrophobicContact CB-CB 4.42Å; L395-L404 HydrophobicContact CB-CD2 4.31Å; L395-L404 HydrophobicContact CD1-CB 4.33Å; L395-L404 HydrophobicContact CD1-CD1 4.41Å
396	S	35.1	Very low	32.5	Very low	11 Å²	11	66.5 Å²	66.5	8%	0.077	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134.2	176.7	-65.1	0	0	0	0	108.6	E394 A405	E394-S396 PolarHBondContact O-N 2.64Å; E394-S396 VanDerWaalsContact O-N 3.16Å; S396-A405 PolarHBondContact N-O 3.06Å; S396-A405 PolarHBondContact O-N 2.95Å
397	K	37.6	Very low	32.7	Very low	77 Å²	77	69.6 Å²	69.6	34%	0.335	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.4	-179	-173.7	179.2	177.3	-178.9	0	108.9	E351 S399 L404	E351-K397 PolarHBondContact O-N 2.81Å; K397-S399 PolarHBondContact O-N 2.81Å; K397-L404 HydrophobicContact CB-CD2 3.93Å; K397-L404 HydrophobicContact CG-CD2 4.33Å
398	C	40	Very low	32.7	Very low	13 Å²	13	70.2 Å²	70.2	9%	0.088	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	112.9	164	-179.4	0	0	0	0	108.2	R400 G402 V403	C398-R400 PolarHBondContact O-N 3.3Å; C398-G402 VanDerWaalsContact O-CA 3.29Å; C398-G402 WeakPolarHBondContact O-CA 3.22Å; C398-G402 PolarHBondContact O-N 3.23Å; C398-V403 PolarHBondContact N-O 2.88Å
399	S	41.5	Very low	32.7	Very low	60 Å²	60	71.4 Å²	71.4	42%	0.42	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-16.7	179.5	53.8	0	0	0	0	113.7	K397	K397-S399 PolarHBondContact O-N 2.81Å
400	R	43.5	Very low	32.8	Very low	196 Å²	196	74 Å²	74	74%	0.74	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-56	178.8	-111.1	-178.7	177.6	170.2	2.1	115.4	C398	C398-R400 PolarHBondContact O-N 3.3Å
401	C	41.3	Very low	32.7	Very low	59 Å²	59	73.8 Å²	73.8	40%	0.399	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-5	-176.2	65.7	0	0	0	0	113.7	V403	C401-V403 HydrophobicContact CB-CG2 4.48Å; C401-V403 PolarHBondContact O-N 2.88Å; C401-V403 VanDerWaalsContact SG-CG2 3.54Å
402	G	32.9	Very low	32.6	Very low	31 Å²	31	77.7 Å²	77.7	32%	0.32	40%	0.398	S	S	.	.			trans	74.7	-1	178.4	0	0	0	0	0	115.4	C398 L404	C398-G402 VanDerWaalsContact O-CA 3.29Å; C398-G402 WeakPolarHBondContact O-CA 3.22Å; C398-G402 PolarHBondContact O-N 3.23Å; G402-L404 PolarHBondContact O-N 3.21Å
403	V	37.7	Very low	32.4	Very low	63 Å²	63	73.5 Å²	73.5	38%	0.382	39%	0.385	S	S	.	.			trans	-62	129.5	176.3	175.2	0	0	0	0	109.7	A342 C398 C401	A342-V403 HydrophobicContact CB-CG2 3.85Å; C398-V403 PolarHBondContact N-O 2.88Å; C401-V403 HydrophobicContact CB-CG2 4.48Å; C401-V403 PolarHBondContact O-N 2.88Å; C401-V403 VanDerWaalsContact SG-CG2 3.54Å
404	L	30.9	Very low	32.2	Very low	94 Å²	94	75.5 Å²	75.5	49%	0.492	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	130.1	174.2	-66.5	168.6	0	0	0	109.2	L395 K397 G402	L395-L404 HydrophobicContact CB-CB 4.42Å; L395-L404 HydrophobicContact CB-CD2 4.31Å; L395-L404 HydrophobicContact CD1-CB 4.33Å; L395-L404 HydrophobicContact CD1-CD1 4.41Å; K397-L404 HydrophobicContact CB-CD2 3.93Å; K397-L404 HydrophobicContact CG-CD2 4.33Å; G402-L404 PolarHBondContact O-N 3.21Å
405	A	34.5	Very low	32	Very low	19 Å²	19	69.4 Å²	69.4	16%	0.157	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	142.3	172.8	0	0	0	0	0	109.5	W350 S396	W350-A405 HydrophobicContact CH2-CB 4.34Å; W350-A405 HydrophobicContact CZ3-CB 4.47Å; S396-A405 PolarHBondContact N-O 3.06Å; S396-A405 PolarHBondContact O-N 2.95Å
406	S	33.1	Very low	31.8	Very low	6 Å²	6	72.3 Å²	72.3	4%	0.042	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.4	170.2	160.7	0	0	0	0	108.9	D408 I409	S406-D408 PolarHBondContact O-N 3.05Å; S406-D408 PolarHBondContact OG-N 3.5Å; S406-D408 VanDerWaalsContact OG-N 3.12Å; S406-I409 PolarHBondContact OG-N 3.08Å
407	Q	30.4	Very low	31.4	Very low	81 Å²	81	76.2 Å²	76.2	38%	0.379	42%	0.418	S	S	.	.	S	Bend	trans	-67	-31.1	173.5	-150.1	171.5	-2.6	0	0	110.8	W350 Y410 T411	W350-Q407 HydrophobicContact CZ2-CG 4.03Å; Q407-Y410 PolarHBondContact O-N 3.31Å; Q407-T411 PolarHBondContact O-N 3.2Å; Q407-T411 VanDerWaalsContact O-N 3.08Å; Q407-T411 PolarHBondContact O-OG1 3.18Å
408	D	28.1	Very low	31.1	Very low	95 Å²	95	75.6 Å²	75.6	51%	0.508	42%	0.416	S	S	.	.	H	α-helix	trans	-81.4	-19.6	-174.3	-68.3	-27.5	0	0	0	115.4	F393 S406 Y410 T411	F393-D408 HydrophobicContact CD1-CB 4.35Å; F393-D408 HydrophobicContact CE1-CB 4.37Å; S406-D408 PolarHBondContact O-N 3.05Å; S406-D408 PolarHBondContact OG-N 3.5Å; S406-D408 VanDerWaalsContact OG-N 3.12Å; D408-Y410 PolarHBondContact O-N 3.33Å; D408-T411 VanDerWaalsContact CA-OG1 3.3Å; D408-T411 WeakPolarHBondContact CA-OG1 3.34Å; D408-T411 PolarHBondContact OD1-OG1 2.72Å
409	I	27	Very low	30.6	Very low	101 Å²	101	79.5 Å²	79.5	52%	0.518	43%	0.432	S	S	.	.	H	α-helix	trans	-66.6	-14.8	168.3	-65	176.6	0	0	0	110.9	S406	S406-I409 PolarHBondContact OG-N 3.08Å
410	Y	26.4	Very low	29.9	Very low	125 Å²	125	79.9 Å²	79.9	49%	0.49	43%	0.428	S	S	.	.	H	α-helix	trans	-120.2	-18	-176	-68.6	-75.5	0	0	0	115.4	F338 Q407 D408 E412	F338-Y410 HydrophobicContact CE1-CD1 4.38Å; F338-Y410 HydrophobicContact CE1-CG 4.44Å; F338-Y410 WeakPolarHBondContact CZ-O 3.36Å; Q407-Y410 PolarHBondContact O-N 3.31Å; D408-Y410 PolarHBondContact O-N 3.33Å; Y410-E412 VanDerWaalsContact C-N 3.33Å
411	T	23.9	Very low	29.3	Very low	80 Å²	80	75.3 Å²	75.3	49%	0.491	42%	0.418	S	S	.	.	H	α-helix	trans	-73.7	-24.4	173.7	38.8	0	0	0	0	112.6	Q407 D408	Q407-T411 PolarHBondContact O-N 3.2Å; Q407-T411 VanDerWaalsContact O-N 3.08Å; Q407-T411 PolarHBondContact O-OG1 3.18Å; D408-T411 VanDerWaalsContact CA-OG1 3.3Å; D408-T411 WeakPolarHBondContact CA-OG1 3.34Å; D408-T411 PolarHBondContact OD1-OG1 2.72Å
412	E	24.8	Very low	28.9	Very low	148 Å²	148	77.8 Å²	77.8	69%	0.692	42%	0.422	S	S	*	.	S	Bend	trans	-105.7	67.6	179.8	-65.4	-166.4	167.2	0	0	112.7	Y410 M414	Y410-E412 VanDerWaalsContact C-N 3.33Å; E412-M414 VanDerWaalsContact C-N 3.26Å; E412-M414 PolarHBondContact O-N 3.04Å
413	G	24.6	Very low	28.8	Very low	38 Å²	38	78.1 Å²	78.1	39%	0.392	42%	0.417	S	S	.	.			trans	54.8	19.2	139.6	0	0	0	0	0	119.9	I328 G415	I328-G413 WeakPolarHBondContact CG2-O 3.44Å; G413-G415 PolarHBondContact O-N 3.44Å
414	M	23.3	Very low	28.5	Very low	97 Å²	97	79.6 Å²	79.6	48%	0.478	42%	0.42	S	S	.	.			trans	-69.3	92.2	164.1	-76.8	-156.8	-156.5	0	0	107.5	F325 E412 T416	F325-M414 HydrophobicContact CD1-CG 4.43Å; F325-M414 HydrophobicContact CE1-CE 3.94Å; F325-M414 HydrophobicContact CE1-CG 4.15Å; F325-M414 HydrophobicContact CE1-SD 3.97Å; F325-M414 HydrophobicContact CZ-CE 4Å; F325-M414 HydrophobicContact CZ-SD 4.38Å; E412-M414 VanDerWaalsContact C-N 3.26Å; E412-M414 PolarHBondContact O-N 3.04Å; M414-T416 PolarHBondContact O-N 3.21Å
415	G	23.8	Very low	28.4	Very low	29 Å²	29	82.6 Å²	82.6	30%	0.299	43%	0.426	S	S	.	.			trans	-49.8	142	167.8	0	0	0	0	0	109.2	G413 T417 E418 F419	G413-G415 PolarHBondContact O-N 3.44Å; G415-T417 PolarHBondContact O-N 2.69Å; G415-E418 WeakPolarHBondContact CA-OE2 3.19Å; G415-E418 PolarHBondContact N-OE2 3.24Å; G415-E418 PolarHBondContact O-N 3.49Å; G415-F419 PolarHBondContact O-N 2.71Å
416	T	26.6	Very low	28.2	Very low	96 Å²	96	84.8 Å²	84.8	59%	0.589	44%	0.435	S	S	*	.	H	α-helix	trans	-49.7	-28.5	178.3	31.3	0	0	0	0	112.5	M414 M420 L449	M414-T416 PolarHBondContact O-N 3.21Å; T416-M420 WeakPolarHBondContact O-CB 3.29Å; T416-M420 WeakPolarHBondContact O-CG 3.39Å; T416-M420 PolarHBondContact O-N 3.18Å; T416-M420 VanDerWaalsContact O-N 3.12Å; T416-L449 HydrophobicContact CG2-CD1 4.1Å
417	T	28.5	Very low	28.1	Very low	92 Å²	92	87.1 Å²	87.1	56%	0.564	45%	0.446	S	S	*	.	H	α-helix	trans	-71.2	-35.4	177.7	-45.8	0	0	0	0	112.8	G415 M420 L421	G415-T417 PolarHBondContact O-N 2.69Å; T417-M420 CarbonylContact O-C 3.59Å; T417-M420 WeakPolarHBondContact O-CB 2.91Å; T417-M420 PolarHBondContact O-N 3.1Å; T417-L421 WeakPolarHBondContact O-CG 3.39Å; T417-L421 PolarHBondContact O-N 3.12Å
418	E	29.3	Very low	28	Very low	64 Å²	64	91 Å²	91	30%	0.299	46%	0.462	S	S	.	.	H	α-helix	trans	-83.3	-38.1	-175.8	-66.5	84.2	176.7	0	0	112.1	I328 G415 M420 L421 F422	I328-E418 HydrophobicContact CD1-CG 3.93Å; G415-E418 WeakPolarHBondContact CA-OE2 3.19Å; G415-E418 PolarHBondContact N-OE2 3.24Å; G415-E418 PolarHBondContact O-N 3.49Å; E418-M420 VanDerWaalsContact C-N 3.27Å; E418-L421 CarbonylContact O-C 3.6Å; E418-L421 WeakPolarHBondContact O-CB 3.42Å; E418-L421 PolarHBondContact O-N 3.49Å; E418-L421 VanDerWaalsContact O-N 3.12Å; E418-F422 PolarHBondContact O-N 3.22Å
419	F	29.8	Very low	28	Very low	95 Å²	95	88.1 Å²	88.1	42%	0.417	45%	0.449	S	S	.	.	H	α-helix	trans	-62.4	-39.9	166	-177.5	-102	0	0	0	110.5	G415 L421 F422 V423	G415-F419 PolarHBondContact O-N 2.71Å; F419-L421 VanDerWaalsContact C-N 3.3Å; F419-L421 PolarHBondContact O-N 2.71Å; F419-F422 PolarHBondContact O-N 2.84Å; F419-V423 HydrophobicContact CD1-CG2 3.95Å; F419-V423 HydrophobicContact CD2-CG2 4.31Å; F419-V423 HydrophobicContact CE1-CG2 3.5Å; F419-V423 VanDerWaalsContact CE1-CG2 3.5Å; F419-V423 HydrophobicContact CE2-CG2 3.89Å; F419-V423 HydrophobicContact CG-CG2 4.35Å; F419-V423 HydrophobicContact CZ-CG2 3.47Å; F419-V423 VanDerWaalsContact CZ-CG2 3.47Å; F419-V423 WeakPolarHBondContact O-CB 3.46Å; F419-V423 WeakPolarHBondContact O-CG2 3.06Å; F419-V423 PolarHBondContact O-N 3.25Å
420	M	27.9	Very low	28	Very low	68 Å²	68	85.7 Å²	85.7	34%	0.335	44%	0.437	S	S	.	.	H	α-helix	trans	-57.9	-41	170.5	-77.9	-101	-72.8	0	0	111.5	T416 T417 E418 Q424 L449	T416-M420 WeakPolarHBondContact O-CB 3.29Å; T416-M420 WeakPolarHBondContact O-CG 3.39Å; T416-M420 PolarHBondContact O-N 3.18Å; T416-M420 VanDerWaalsContact O-N 3.12Å; T417-M420 CarbonylContact O-C 3.59Å; T417-M420 WeakPolarHBondContact O-CB 2.91Å; T417-M420 PolarHBondContact O-N 3.1Å; E418-M420 VanDerWaalsContact C-N 3.27Å; M420-Q424 WeakPolarHBondContact O-CA 3.42Å; M420-Q424 WeakPolarHBondContact O-CB 3.49Å; M420-Q424 WeakPolarHBondContact O-CG 3.38Å; M420-Q424 PolarHBondContact O-N 2.87Å; M420-L449 HydrophobicContact CG-CD1 4.06Å; M420-L449 HydrophobicContact SD-CD1 4.22Å; M420-L449 HydrophobicContact SD-CG 4.43Å
421	L	30.6	Very low	27.9	Very low	101 Å²	101	86.8 Å²	86.8	53%	0.529	44%	0.441	S	S	.	.	H	α-helix	trans	-68.6	-37.1	175.5	-79.3	167.1	0	0	0	113	T417 E418 F419 Y425	T417-L421 WeakPolarHBondContact O-CG 3.39Å; T417-L421 PolarHBondContact O-N 3.12Å; E418-L421 CarbonylContact O-C 3.6Å; E418-L421 WeakPolarHBondContact O-CB 3.42Å; E418-L421 PolarHBondContact O-N 3.49Å; E418-L421 VanDerWaalsContact O-N 3.12Å; F419-L421 VanDerWaalsContact C-N 3.3Å; F419-L421 PolarHBondContact O-N 2.71Å; L421-Y425 WeakPolarHBondContact O-CA 3Å; L421-Y425 WeakPolarHBondContact O-CB 3.42Å; L421-Y425 PolarHBondContact O-N 3.12Å
422	F	31.9	Very low	28.1	Very low	110 Å²	110	90 Å²	90	48%	0.482	45%	0.45	S	S	.	.	H	α-helix	trans	-67.9	-47.5	175.8	176.9	-102.7	0	0	0	111.4	E418 F419 Y425 L426	E418-F422 PolarHBondContact O-N 3.22Å; F419-F422 PolarHBondContact O-N 2.84Å; F422-Y425 PolarHBondContact O-N 3.41Å; F422-L426 HydrophobicContact CE1-CD1 4.36Å; F422-L426 HydrophobicContact CE2-CD1 4.48Å; F422-L426 HydrophobicContact CZ-CD1 4.02Å; F422-L426 WeakPolarHBondContact O-CB 3.41Å; F422-L426 PolarHBondContact O-N 3.04Å
423	V	31.9	Very low	28.1	Very low	38 Å²	38	87.5 Å²	87.5	23%	0.23	44%	0.437	C	S	.	.	H	α-helix	trans	-66.6	-41	175.6	174.3	0	0	0	0	110.6	F419 Y425 L426 I427	F419-V423 HydrophobicContact CD1-CG2 3.95Å; F419-V423 HydrophobicContact CD2-CG2 4.31Å; F419-V423 HydrophobicContact CE1-CG2 3.5Å; F419-V423 VanDerWaalsContact CE1-CG2 3.5Å; F419-V423 HydrophobicContact CE2-CG2 3.89Å; F419-V423 HydrophobicContact CG-CG2 4.35Å; F419-V423 HydrophobicContact CZ-CG2 3.47Å; F419-V423 VanDerWaalsContact CZ-CG2 3.47Å; F419-V423 WeakPolarHBondContact O-CB 3.46Å; F419-V423 WeakPolarHBondContact O-CG2 3.06Å; F419-V423 PolarHBondContact O-N 3.25Å; V423-Y425 VanDerWaalsContact C-N 3.33Å; V423-Y425 PolarHBondContact O-N 2.88Å; V423-L426 PolarHBondContact O-N 3.43Å; V423-I427 HydrophobicContact CG1-CD1 3.55Å; V423-I427 HydrophobicContact CG1-CG1 4.13Å; V423-I427 VanDerWaalsContact O-CB 3.29Å; V423-I427 WeakPolarHBondContact O-CB 3.34Å; V423-I427 WeakPolarHBondContact O-CG1 3.37Å; V423-I427 PolarHBondContact O-N 2.9Å
424	Q	30.3	Very low	28.2	Very low	94 Å²	94	90.2 Å²	90.2	44%	0.439	45%	0.448	S	S	.	.	H	α-helix	trans	-63.5	-38.3	171.7	-80.5	176.6	2.4	0	0	111.3	M420 K428	M420-Q424 WeakPolarHBondContact O-CA 3.42Å; M420-Q424 WeakPolarHBondContact O-CB 3.49Å; M420-Q424 WeakPolarHBondContact O-CG 3.38Å; M420-Q424 PolarHBondContact O-N 2.87Å; Q424-K428 WeakPolarHBondContact O-CA 3.38Å; Q424-K428 WeakPolarHBondContact O-CB 3.16Å; Q424-K428 PolarHBondContact O-N 3.44Å
425	Y	30.4	Very low	28.5	Very low	158 Å²	158	92.3 Å²	92.3	62%	0.62	46%	0.462	S	S	*	.	H	α-helix	trans	-67.9	-40.8	176.5	-174.2	-93.8	0	0	0	110.2	L421 F422 V423 S429	L421-Y425 WeakPolarHBondContact O-CA 3Å; L421-Y425 WeakPolarHBondContact O-CB 3.42Å; L421-Y425 PolarHBondContact O-N 3.12Å; F422-Y425 PolarHBondContact O-N 3.41Å; V423-Y425 VanDerWaalsContact C-N 3.33Å; V423-Y425 PolarHBondContact O-N 2.88Å; Y425-S429 WeakPolarHBondContact O-CA 3.49Å; Y425-S429 WeakPolarHBondContact O-CB 2.92Å; Y425-S429 PolarHBondContact O-N 3.29Å; Y425-S429 PolarHBondContact O-OG 2.79Å
426	L	30.5	Very low	28.7	Very low	65 Å²	65	97.6 Å²	97.6	34%	0.34	48%	0.483	S	S	.	.	H	α-helix	trans	-61.8	-54	174.3	-142.4	95.3	0	0	0	110	F422 V423 S429 L430	F422-L426 HydrophobicContact CE1-CD1 4.36Å; F422-L426 HydrophobicContact CE2-CD1 4.48Å; F422-L426 HydrophobicContact CZ-CD1 4.02Å; F422-L426 WeakPolarHBondContact O-CB 3.41Å; F422-L426 PolarHBondContact O-N 3.04Å; V423-L426 PolarHBondContact O-N 3.43Å; L426-S429 PolarHBondContact O-N 2.76Å; L426-L430 HydrophobicContact CD2-CD1 4.04Å; L426-L430 HydrophobicContact CG-CD1 4.12Å; L426-L430 VanDerWaalsContact O-CB 3.26Å; L426-L430 WeakPolarHBondContact O-CB 3.26Å; L426-L430 VanDerWaalsContact O-CD1 3.27Å; L426-L430 WeakPolarHBondContact O-CD1 3.33Å; L426-L430 WeakPolarHBondContact O-CG 3.21Å; L426-L430 PolarHBondContact O-N 2.8Å
427	I	29.1	Very low	28.6	Very low	54 Å²	54	95.7 Å²	95.7	28%	0.277	47%	0.471	S	S	.	.	H	α-helix	trans	-62.1	-50.4	179.4	-67.4	174.1	0	0	0	110.4	V423 S429 L430 Y431 Y452	V423-I427 HydrophobicContact CG1-CD1 3.55Å; V423-I427 HydrophobicContact CG1-CG1 4.13Å; V423-I427 VanDerWaalsContact O-CB 3.29Å; V423-I427 WeakPolarHBondContact O-CB 3.34Å; V423-I427 WeakPolarHBondContact O-CG1 3.37Å; V423-I427 PolarHBondContact O-N 2.9Å; I427-S429 VanDerWaalsContact C-N 3.28Å; I427-S429 PolarHBondContact O-N 2.89Å; I427-L430 CarbonylContact O-C 3.45Å; I427-L430 WeakPolarHBondContact O-CA 3.5Å; I427-L430 PolarHBondContact O-N 3.13Å; I427-Y431 HydrophobicContact CG2-CD2 3.77Å; I427-Y431 HydrophobicContact CG2-CE2 4.31Å; I427-Y431 WeakPolarHBondContact O-CB 3.43Å; I427-Y431 VanDerWaalsContact O-CD2 3.25Å; I427-Y431 WeakPolarHBondContact O-CD2 3.33Å; I427-Y431 PolarHBondContact O-N 3.43Å; I427-Y452 HydrophobicContact CD1-CE1 4.39Å
428	K	28.6	Very low	28.4	Very low	164 Å²	164	94.3 Å²	94.3	71%	0.713	47%	0.469	S	S	*	.	H	α-helix	trans	-65.7	-30.6	179.5	-161.5	176.4	-171.6	178.6	0	112.2	Q424 Y431	Q424-K428 WeakPolarHBondContact O-CA 3.38Å; Q424-K428 WeakPolarHBondContact O-CB 3.16Å; Q424-K428 PolarHBondContact O-N 3.44Å; K428-Y431 CarbonylContact O-C 3.58Å
429	S	28.4	Very low	28.1	Very low	34 Å²	34	95.5 Å²	95.5	24%	0.238	48%	0.484	C	S	.	.	H	α-helix	trans	-74.7	-27.4	171.1	-62.1	0	0	0	0	112.9	K282 Y425 L426 I427	K282-S429 VanDerWaalsContact CD-O 3.31Å; K282-S429 WeakPolarHBondContact CD-O 3.3Å; K282-S429 VanDerWaalsContact CE-O 3.29Å; K282-S429 WeakPolarHBondContact CE-O 3.48Å; K282-S429 WeakPolarHBondContact CG-O 3.36Å; Y425-S429 WeakPolarHBondContact O-CA 3.49Å; Y425-S429 WeakPolarHBondContact O-CB 2.92Å; Y425-S429 PolarHBondContact O-N 3.29Å; Y425-S429 PolarHBondContact O-OG 2.79Å; L426-S429 PolarHBondContact O-N 2.76Å; I427-S429 VanDerWaalsContact C-N 3.28Å; I427-S429 PolarHBondContact O-N 2.89Å
430	L	26.6	Very low	27.8	Very low	50 Å²	50	98.6 Å²	98.6	26%	0.262	50%	0.5	S	S	.	.	H	α-helix	trans	-85.5	-22.6	176.5	-68.5	164.6	0	0	0	112.5	I285 L426 I427	I285-L430 HydrophobicContact CD1-CD2 3.31Å; L426-L430 HydrophobicContact CD2-CD1 4.04Å; L426-L430 HydrophobicContact CG-CD1 4.12Å; L426-L430 VanDerWaalsContact O-CB 3.26Å; L426-L430 WeakPolarHBondContact O-CB 3.26Å; L426-L430 VanDerWaalsContact O-CD1 3.27Å; L426-L430 WeakPolarHBondContact O-CD1 3.33Å; L426-L430 WeakPolarHBondContact O-CG 3.21Å; L426-L430 PolarHBondContact O-N 2.8Å; I427-L430 CarbonylContact O-C 3.45Å; I427-L430 WeakPolarHBondContact O-CA 3.5Å; I427-L430 PolarHBondContact O-N 3.13Å
431	Y	26.1	Very low	27.6	Very low	147 Å²	147	98.9 Å²	98.9	58%	0.576	50%	0.502	S	S	*	.			trans	-127.7	76.1	-174.9	-68.5	-89.4	0	0	0	110.8	I427 K428 F433	I427-Y431 HydrophobicContact CG2-CD2 3.77Å; I427-Y431 HydrophobicContact CG2-CE2 4.31Å; I427-Y431 WeakPolarHBondContact O-CB 3.43Å; I427-Y431 VanDerWaalsContact O-CD2 3.25Å; I427-Y431 WeakPolarHBondContact O-CD2 3.33Å; I427-Y431 PolarHBondContact O-N 3.43Å; K428-Y431 CarbonylContact O-C 3.58Å; Y431-F433 PolarHBondContact O-N 3.2Å
432	E	27.6	Very low	27.1	Very low	147 Å²	147	100.3 Å²	100.3	69%	0.687	51%	0.51	S	S	*	.			trans	-78.2	95.4	156.4	-84.5	170.7	-162.5	0	0	107	K282	K282-E432 IonicContact NZ-OE1 2.66Å; K282-E432 PolarHBondContact NZ-OE1 3.12Å; K282-E432 IonicContact NZ-OE2 2.73Å
433	F	25.1	Very low	26.6	Very low	96 Å²	96	103.3 Å²	103.3	42%	0.421	52%	0.523	S	S	.	.			trans	-58.5	136.6	174	-80.7	-82.2	0	0	0	110.2	Y431 N435 V437 I441	Y431-F433 PolarHBondContact O-N 3.2Å; F433-N435 PolarHBondContact O-N 3.15Å; F433-V437 HydrophobicContact CD1-CB 3.5Å; F433-V437 VanDerWaalsContact CD1-CB 3.5Å; F433-V437 HydrophobicContact CD1-CG1 3.7Å; F433-V437 HydrophobicContact CD1-CG2 4.01Å; F433-V437 HydrophobicContact CE1-CB 3.96Å; F433-V437 HydrophobicContact CE1-CG1 3.6Å; F433-V437 HydrophobicContact CE1-CG2 4.48Å; F433-V437 HydrophobicContact CG-CB 4.26Å; F433-V437 HydrophobicContact CZ-CG1 4.47Å; F433-I441 HydrophobicContact CD2-CD1 4.24Å; F433-I441 HydrophobicContact CE2-CD1 3.75Å; F433-I441 HydrophobicContact CZ-CD1 4.01Å
434	P	26.7	Very low	26	Very low	95 Å²	95	107.2 Å²	107.2	62%	0.617	55%	0.547	S	S	*	.			trans	-54.1	135.4	155	-16.5	29.5	0	0	0	108	D436 V437	P434-D436 PolarHBondContact O-N 3.32Å; P434-V437 PolarHBondContact O-N 2.78Å; P434-V437 VanDerWaalsContact O-N 3.13Å
435	N	29.2	Very low	25.6	Very low	142 Å²	142	105.4 Å²	105.4	76%	0.759	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.2	-18.3	-169	-74.8	-33.1	0	0	0	115.7	F433 V437 A438	F433-N435 PolarHBondContact O-N 3.15Å; N435-V437 VanDerWaalsContact C-N 3.34Å; N435-V437 PolarHBondContact O-N 3.4Å; N435-A438 PolarHBondContact O-N 2.97Å
436	D	27.2	Very low	25.1	Very low	139 Å²	139	106.5 Å²	106.5	74%	0.743	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-14.7	-177.5	-61.5	-25	0	0	0	114.4	P434 S439	P434-D436 PolarHBondContact O-N 3.32Å; D436-S439 PolarHBondContact O-OG 3.26Å
437	V	24.8	Very low	24.6	Very low	57 Å²	57	108.5 Å²	108.5	35%	0.345	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.4	-15.9	173.9	-167.4	0	0	0	0	111.9	F433 P434 N435 S439 E440	F433-V437 HydrophobicContact CD1-CB 3.5Å; F433-V437 VanDerWaalsContact CD1-CB 3.5Å; F433-V437 HydrophobicContact CD1-CG1 3.7Å; F433-V437 HydrophobicContact CD1-CG2 4.01Å; F433-V437 HydrophobicContact CE1-CB 3.96Å; F433-V437 HydrophobicContact CE1-CG1 3.6Å; F433-V437 HydrophobicContact CE1-CG2 4.48Å; F433-V437 HydrophobicContact CG-CB 4.26Å; F433-V437 HydrophobicContact CZ-CG1 4.47Å; P434-V437 PolarHBondContact O-N 2.78Å; P434-V437 VanDerWaalsContact O-N 3.13Å; N435-V437 VanDerWaalsContact C-N 3.34Å; N435-V437 PolarHBondContact O-N 3.4Å; V437-S439 PolarHBondContact O-N 3.2Å; V437-E440 PolarHBondContact O-N 2.69Å; V437-E440 VanDerWaalsContact O-N 3.12Å
438	A	23.3	Very low	24.2	Very low	63 Å²	63	113.8 Å²	113.8	52%	0.521	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.8	-24.4	178.2	0	0	0	0	0	112.5	N435	N435-A438 PolarHBondContact O-N 2.97Å
439	S	24.9	Very low	24	Very low	89 Å²	89	110.7 Å²	110.7	62%	0.622	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-19.8	176.4	50	0	0	0	0	114.1	D436 V437	D436-S439 PolarHBondContact O-OG 3.26Å; V437-S439 PolarHBondContact O-N 3.2Å
440	E	23.2	Very low	23.7	Very low	160 Å²	160	112.6 Å²	112.6	75%	0.748	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-11.7	178.8	-74.5	-167.6	162.4	0	0	113.6	V437 N442	V437-E440 PolarHBondContact O-N 2.69Å; V437-E440 VanDerWaalsContact O-N 3.12Å; E440-N442 PolarHBondContact O-N 2.9Å
441	I	22.5	Very low	23.6	Very low	74 Å²	74	113.4 Å²	113.4	38%	0.379	60%	0.603	S	S	.	*			trans	-82.9	69.4	172.6	-48.8	177.4	0	0	0	108.8	F433 F443	F433-I441 HydrophobicContact CD2-CD1 4.24Å; F433-I441 HydrophobicContact CE2-CD1 3.75Å; F433-I441 HydrophobicContact CZ-CD1 4.01Å; I441-F443 HydrophobicContact CG2-CD2 3.75Å; I441-F443 HydrophobicContact CG2-CE2 3.6Å; I441-F443 HydrophobicContact CG2-CG 4.43Å; I441-F443 HydrophobicContact CG2-CZ 4.18Å; I441-F443 PolarHBondContact O-N 3.48Å; I441-F443 VanDerWaalsContact O-N 3.1Å
442	N	21.4	Very low	23.4	Very low	130 Å²	130	115.5 Å²	115.5	70%	0.695	61%	0.611	S	S	*	*			trans	-63.5	108.1	153.5	-84.1	-43.4	0	0	0	106.4	E440 V444	E440-N442 PolarHBondContact O-N 2.9Å; N442-V444 HydrophobicContact CB-CG2 4.01Å; N442-V444 PolarHBondContact O-N 3.21Å
443	F	21.3	Very low	23.2	Very low	173 Å²	173	112.8 Å²	112.8	76%	0.759	60%	0.604	S	S	*	*			trans	-65.7	80.4	169.5	-87.5	-90.5	0	0	0	108.5	I441 G445	I441-F443 HydrophobicContact CG2-CD2 3.75Å; I441-F443 HydrophobicContact CG2-CE2 3.6Å; I441-F443 HydrophobicContact CG2-CG 4.43Å; I441-F443 HydrophobicContact CG2-CZ 4.18Å; I441-F443 PolarHBondContact O-N 3.48Å; I441-F443 VanDerWaalsContact O-N 3.1Å; F443-G445 PolarHBondContact O-N 3.38Å
444	V	19.8	Very low	23.2	Very low	120 Å²	120	116 Å²	116	73%	0.727	63%	0.625	S	S	*	*			trans	-82.6	102.3	173	-176.5	0	0	0	0	107.5	N442	N442-V444 HydrophobicContact CB-CG2 4.01Å; N442-V444 PolarHBondContact O-N 3.21Å
445	G	19.9	Very low	23	Very low	56 Å²	56	115.7 Å²	115.7	58%	0.577	62%	0.621	S	S	*	*	S	Bend	trans	83.4	147.6	158.7	0	0	0	0	0	115.8	F443 L447	F443-G445 PolarHBondContact O-N 3.38Å; G445-L447 PolarHBondContact O-N 2.86Å
446	E	20.8	Very low	22.6	Very low	181 Å²	181	113.1 Å²	113.1	85%	0.846	62%	0.62	S	S	*	*			trans	-42.1	98.2	172.3	-62.9	171.6	151.1	0	0	111.7	K448	E446-K448 VanDerWaalsContact C-N 3.35Å; E446-K448 PolarHBondContact O-N 3.19Å
447	L	19.8	Very low	22.3	Very low	108 Å²	108	108.5 Å²	108.5	57%	0.565	60%	0.604	S	S	*	*			trans	-69.7	93.3	175.8	-94	154.2	0	0	0	108.9	G445 L449	G445-L447 PolarHBondContact O-N 2.86Å; L447-L449 PolarHBondContact O-N 3.42Å
448	K	21.7	Very low	22.1	Very low	164 Å²	164	114.1 Å²	114.1	71%	0.713	63%	0.631	S	S	*	*			trans	-59.5	127.7	170.6	-72.4	-178.2	178.2	178.7	0	109.4	E446 S450	E446-K448 VanDerWaalsContact C-N 3.35Å; E446-K448 PolarHBondContact O-N 3.19Å; K448-S450 PolarHBondContact O-N 3.24Å
449	L	23.4	Very low	22.1	Very low	99 Å²	99	113.6 Å²	113.6	52%	0.518	63%	0.632	S	S	.	*	S	Bend	trans	-53.7	5.6	-170.4	-112.1	120.1	0	0	0	117.8	T416 M420 L447 H451	T416-L449 HydrophobicContact CG2-CD1 4.1Å; M420-L449 HydrophobicContact CG-CD1 4.06Å; M420-L449 HydrophobicContact SD-CD1 4.22Å; M420-L449 HydrophobicContact SD-CG 4.43Å; L447-L449 PolarHBondContact O-N 3.42Å; L449-H451 VanDerWaalsContact C-N 3.34Å; L449-H451 PolarHBondContact O-N 2.96Å
450	S	23.2	Very low	22	Very low	74 Å²	74	115.8 Å²	115.8	52%	0.517	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.4	5	-167	59.2	0	0	0	0	116.1	K448	K448-S450 PolarHBondContact O-N 3.24Å
451	H	23.3	Very low	22	Very low	68 Å²	68	115.4 Å²	115.4	32%	0.315	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.9	1.1	-166.5	-64.8	98.9	0	0	0	116.9	L449 L467 R468 G469	L449-H451 VanDerWaalsContact C-N 3.34Å; L449-H451 PolarHBondContact O-N 2.96Å; H451-L467 WeakPolarHBondContact O-CD1 3.46Å; H451-R468 PolarHBondContact CD2-O 2.75Å; H451-R468 VanDerWaalsContact CD2-O 3.32Å; H451-R468 PolarHBondContact NE2-O 2.88Å; H451-R468 VanDerWaalsContact NE2-O 3.15Å; H451-G469 WeakPolarHBondContact NE2-CA 3.03Å
452	Y	22.7	Very low	22.1	Very low	190 Å²	190	115.9 Å²	115.9	75%	0.745	65%	0.648	S	S	*	*			trans	-119.3	83.7	173.8	-69.2	-83.4	0	0	0	110.3	I427	I427-Y452 HydrophobicContact CD1-CE1 4.39Å
453	V	23.4	Very low	22.1	Very low	91 Å²	91	115.3 Å²	115.3	55%	0.552	65%	0.645	S	S	*	*			trans	-96.3	117.8	164.3	-177.5	0	0	0	0	107.1	V455 L467	V453-V455 VanDerWaalsContact C-N 3.25Å; V453-V455 HydrophobicContact CB-CG2 4.11Å; V453-V455 HydrophobicContact CG1-CG2 3.7Å; V453-V455 PolarHBondContact O-N 3.41Å; V453-L467 HydrophobicContact CB-CD1 4.15Å
454	L	23.7	Very low	22.2	Very low	163 Å²	163	111 Å²	111	85%	0.853	64%	0.635	S	S	*	*			trans	-74.3	86.8	168.4	-144.6	134.8	0	0	0	106.5	A456	L454-A456 VanDerWaalsContact C-N 3.26Å; L454-A456 PolarHBondContact O-N 3.18Å
455	V	22.6	Very low	22.2	Very low	88 Å²	88	112.2 Å²	112.2	53%	0.533	64%	0.637	S	S	.	*			trans	-74.4	84.2	179.2	-175.9	0	0	0	0	108.1	V453 G457	V453-V455 VanDerWaalsContact C-N 3.25Å; V453-V455 HydrophobicContact CB-CG2 4.11Å; V453-V455 HydrophobicContact CG1-CG2 3.7Å; V453-V455 PolarHBondContact O-N 3.41Å; V455-G457 VanDerWaalsContact C-N 3.31Å; V455-G457 WeakPolarHBondContact CG1-O 3.05Å; V455-G457 PolarHBondContact O-N 2.91Å
456	A	21.6	Very low	22.3	Very low	89 Å²	89	117.9 Å²	117.9	74%	0.736	65%	0.646	S	S	*	*			trans	-88.6	73.4	165.1	0	0	0	0	0	108.2	L454	L454-A456 VanDerWaalsContact C-N 3.26Å; L454-A456 PolarHBondContact O-N 3.18Å
457	G	20.3	Very low	22.3	Very low	41 Å²	41	114 Å²	114	42%	0.423	63%	0.63	S	S	.	*	S	Bend	trans	161.6	132.6	173.5	0	0	0	0	0	115	V455	V455-G457 VanDerWaalsContact C-N 3.31Å; V455-G457 WeakPolarHBondContact CG1-O 3.05Å; V455-G457 PolarHBondContact O-N 2.91Å
458	I	22.2	Very low	22.4	Very low	176 Å²	176	119.5 Å²	119.5	90%	0.903	64%	0.643	S	S	*	*	S	Bend	trans	79.7	108.4	155.1	-43.8	164.8	0	0	0	114.5
459	G	21.9	Very low	22.3	Very low	52 Å²	52	114 Å²	114	54%	0.536	63%	0.633	S	S	.	*	S	Bend	trans	112	149.4	162.1	0	0	0	0	0	114.7
460	N	23	Very low	22.1	Very low	135 Å²	135	117.9 Å²	117.9	72%	0.722	64%	0.642	S	S	*	*			trans	-44.8	142.6	-177.4	-95.1	-40.3	0	0	0	112.7	S462 D463	N460-S462 PolarHBondContact O-N 2.94Å; N460-D463 PolarHBondContact O-N 3.35Å
461	I	23.9	Very low	22	Very low	152 Å²	152	120 Å²	120	78%	0.779	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.5	-20.7	-177	-72.3	166.2	0	0	0	114.3	D463	I461-D463 VanDerWaalsContact C-N 3.28Å; I461-D463 PolarHBondContact O-N 2.91Å
462	S	23.7	Very low	21.9	Very low	84 Å²	84	121.1 Å²	121.1	59%	0.587	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-24.5	172.9	54.1	0	0	0	0	114.4	N460	N460-S462 PolarHBondContact O-N 2.94Å
463	D	22.1	Very low	21.7	Very low	118 Å²	118	118.9 Å²	118.9	63%	0.631	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-93.3	-10.5	-173.4	-63.4	-14.1	0	0	0	112.8	N460 I461 L465	N460-D463 PolarHBondContact O-N 3.35Å; I461-D463 VanDerWaalsContact C-N 3.28Å; I461-D463 PolarHBondContact O-N 2.91Å; D463-L465 PolarHBondContact O-N 3.1Å; D463-L465 VanDerWaalsContact O-N 3.12Å
464	C	23	Very low	21.5	Very low	83 Å²	83	121.9 Å²	121.9	56%	0.561	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-75.3	6.2	178.7	-65	0	0	0	0	114.5
465	L	20.6	Very low	21.3	Very low	144 Å²	144	121.6 Å²	121.6	75%	0.754	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-132.5	39.8	-170	-100.4	165.2	0	0	0	114.2	D463	D463-L465 PolarHBondContact O-N 3.1Å; D463-L465 VanDerWaalsContact O-N 3.12Å
466	F	20.5	Very low	21.1	Very low	175 Å²	175	124.4 Å²	124.4	77%	0.768	69%	0.692	S	S	*	*			trans	-146.1	83.2	169.5	-82.9	-81.2	0	0	0	112.9
467	L	21.9	Very low	21	Very low	99 Å²	99	130.2 Å²	130.2	52%	0.518	70%	0.695	S	S	.	*			trans	-97	93.9	157.6	-81.8	164.8	0	0	0	108.9	H451 V453	H451-L467 WeakPolarHBondContact O-CD1 3.46Å; V453-L467 HydrophobicContact CB-CD1 4.15Å
468	R	21.4	Very low	21	Very low	225 Å²	225	133.2 Å²	133.2	85%	0.849	72%	0.715	S	S	*	*			trans	-57.6	132.4	175.4	-75.3	174.8	164.6	175.8	-4.1	111.6	H451	H451-R468 PolarHBondContact CD2-O 2.75Å; H451-R468 VanDerWaalsContact CD2-O 3.32Å; H451-R468 PolarHBondContact NE2-O 2.88Å; H451-R468 VanDerWaalsContact NE2-O 3.15Å
469	G	20.3	Very low	21	Very low	47 Å²	47	130.1 Å²	130.1	49%	0.485	71%	0.705	S	S	.	*			trans	-158.4	-12.6	169.2	0	0	0	0	0	116.3	H451	H451-G469 WeakPolarHBondContact NE2-CA 3.03Å
470	Y	19.3	Very low	20.8	Very low	182 Å²	182	138.7 Å²	138.7	71%	0.714	74%	0.736	S	S	*	*			trans	-121.3	95.3	174.3	-74.5	-84.6	0	0	0	110.3	A472 L473	Y470-A472 PolarHBondContact O-N 2.89Å; Y470-L473 HydrophobicContact CD1-CD1 4.19Å; Y470-L473 HydrophobicContact CE1-CD1 4.34Å
471	S	21.1	Very low	20.7	Very low	117 Å²	117	138.9 Å²	138.9	82%	0.818	74%	0.736	S	S	*	*	S	Bend	trans	-63.2	118.3	152.8	49.5	0	0	0	0	108.2	L473	S471-L473 PolarHBondContact O-N 2.66Å
472	A	20.2	Very low	20.6	Very low	93 Å²	93	138.2 Å²	138.2	77%	0.769	73%	0.734	S	S	*	*			trans	60.2	34.5	153.3	0	0	0	0	0	118	Y470 Q474	Y470-A472 PolarHBondContact O-N 2.89Å; A472-Q474 PolarHBondContact O-N 3.16Å
473	L	18.8	Very low	20.4	Very low	142 Å²	142	141.2 Å²	141.2	74%	0.743	74%	0.742	S	S	*	*			trans	-73.3	92.9	150.5	-130.2	130.8	0	0	0	106	Y470 S471 L475	Y470-L473 HydrophobicContact CD1-CD1 4.19Å; Y470-L473 HydrophobicContact CE1-CD1 4.34Å; S471-L473 PolarHBondContact O-N 2.66Å; L473-L475 PolarHBondContact O-N 2.79Å
474	Q	19.1	Very low	20.3	Very low	154 Å²	154	142.5 Å²	142.5	72%	0.72	75%	0.749	S	S	*	*			trans	-34.9	108.1	164.6	-68.8	164.9	-43.1	0	0	107.7	A472 H476	A472-Q474 PolarHBondContact O-N 3.16Å; Q474-H476 PolarHBondContact O-N 2.84Å
475	L	19.1	Very low	20.1	Very low	157 Å²	157	146.3 Å²	146.3	82%	0.822	76%	0.761	S	S	*	*			trans	-55.9	82.6	142	-95.4	147.9	0	0	0	104.7	L473 W477	L473-L475 PolarHBondContact O-N 2.79Å; L475-W477 PolarHBondContact O-N 2.73Å
476	H	18.9	Very low	20.1	Very low	148 Å²	148	146.4 Å²	146.4	69%	0.685	76%	0.761	S	S	*	*			trans	-61.3	99.2	155.8	-127.9	-37.7	0	0	0	102.3	Q474 A478	Q474-H476 PolarHBondContact O-N 2.84Å; H476-A478 PolarHBondContact O-N 3.2Å
477	W	20.5	Very low	20.1	Very low	211 Å²	211	144.4 Å²	144.4	80%	0.799	76%	0.761	S	S	*	*			trans	-47.9	106.3	151.3	-75.6	40.3	0	0	0	103.4	L475 T479	L475-W477 PolarHBondContact O-N 2.73Å; W477-T479 PolarHBondContact O-N 2.93Å; W477-T479 PolarHBondContact O-OG1 3.32Å
478	A	18.8	Very low	19.9	Very low	104 Å²	104	147.8 Å²	147.8	86%	0.86	78%	0.779	S	S	*	*			trans	-58.6	96.4	158.7	0	0	0	0	0	103.1	H476	H476-A478 PolarHBondContact O-N 3.2Å
479	T	22.3	Very low	19.8	Very low	111 Å²	111	141.4 Å²	141.4	68%	0.681	77%	0.773	S	S	*	*			trans	-60.6	158	-173.2	-24.6	0	0	0	0	108.2	W477	W477-T479 PolarHBondContact O-N 2.93Å; W477-T479 PolarHBondContact O-OG1 3.32Å
480	I	19.4	Very low	19.8	Very low	231 Å²	231	150 Å²	150	100%	1.185	80%	0.8	S	S	*	*			trans	-52.9	0	137.7	-67.7	173.5	0	0	0	108.7

Retrieved 480 of 480 residues in 3057.6 ms (Link to these results)

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