A0A077ZL68_TRITR Loading...

Oxysterol-binding protein

AlphaFold DB , UniProt , Accession A0A077ZL68, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 242 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.7	Very low	37.4	Very low	206 Å²	206	59.7 Å²	59.7	100%	1.015	30%	0.304	S	S	*	.				0	116.1	0	-82.4	177.6	173.5	0	0	107.4	A3	M1-A3 PolarHBondContact O-N 2.98Å
2	N	31	Very low	37.6	Very low	79 Å²	79	61.4 Å²	61.4	42%	0.422	32%	0.315	S	S	.	.			trans	-83.4	106.7	172.4	-67.9	-9.5	0	0	0	107.1	N69	N2-N69 VanDerWaalsContact CB-OD1 3.28Å; N2-N69 WeakPolarHBondContact CB-OD1 3.12Å; N2-N69 PolarHBondContact ND2-OD1 2.99Å; N2-N69 PolarHBondContact OD1-OD1 3.11Å
3	A	31.8	Very low	37.6	Very low	24 Å²	24	59.1 Å²	59.1	20%	0.198	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.9	171.6	0	0	0	0	0	108.2	M1 L20 N69	M1-A3 PolarHBondContact O-N 2.98Å; A3-L20 HydrophobicContact CB-CD2 3.65Å; A3-N69 PolarHBondContact O-N 3.01Å
4	S	36.7	Very low	37.7	Very low	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.4	165.2	-71.2	0	0	0	0	108.7	L20 L21 L23 I67 N68	S4-L20 CarbonylContact O-C 3.51Å; S4-L21 CarbonylContact C-O 3.6Å; S4-L21 WeakPolarHBondContact CA-O 3.46Å; S4-L21 WeakPolarHBondContact CB-O 3.33Å; S4-L21 PolarHBondContact N-O 3.44Å; S4-L21 CarbonylContact O-C 3.56Å; S4-L21 VanDerWaalsContact O-C 3.29Å; S4-L21 WeakPolarHBondContact O-CA 3.46Å; S4-L21 PolarHBondContact O-N 2.87Å; S4-L23 WeakPolarHBondContact OG-CD1 3.46Å; S4-I67 CarbonylContact C-O 3.55Å; S4-I67 WeakPolarHBondContact CA-O 3.41Å; S4-N68 PolarHBondContact OG-OD1 3.16Å
5	V	39.2	Very low	37.4	Very low	9 Å²	9	60.5 Å²	60.5	6%	0.055	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.4	174.6	-178.7	0	0	0	0	107.8	C18 L20 I66 I67	V5-C18 HydrophobicContact CG1-CB 4.25Å; V5-L20 HydrophobicContact CG2-CD1 4.44Å; V5-L20 HydrophobicContact CG2-CG 4.35Å; V5-I66 CarbonylContact O-C 3.44Å; V5-I66 WeakPolarHBondContact O-CA 3.45Å; V5-I67 HydrophobicContact CB-CB 4.23Å; V5-I67 HydrophobicContact CB-CD1 4.16Å; V5-I67 HydrophobicContact CG1-CD1 4.34Å; V5-I67 PolarHBondContact N-O 3.36Å; V5-I67 PolarHBondContact O-N 3.31Å
6	I	45.2	Very low	37.5	Very low	28 Å²	28	59.9 Å²	59.9	14%	0.144	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.1	168.8	-65.1	176.7	0	0	0	107.8	E8 C18 G19 L21 F55 V65 I66	I6-E8 HydrophobicContact CG2-CG 4.08Å; I6-C18 CarbonylContact O-C 3.45Å; I6-C18 VanDerWaalsContact O-CA 3.28Å; I6-C18 WeakPolarHBondContact O-CA 3.43Å; I6-G19 PolarHBondContact N-O 3.47Å; I6-G19 PolarHBondContact O-N 2.83Å; I6-L21 HydrophobicContact CD1-CB 3.76Å; I6-L21 HydrophobicContact CD1-CD1 3.8Å; I6-L21 HydrophobicContact CD1-CD2 4Å; I6-L21 HydrophobicContact CD1-CG 4.04Å; I6-L21 HydrophobicContact CG1-CB 3.98Å; I6-F55 HydrophobicContact CG2-CZ 3.9Å; I6-V65 CarbonylContact C-O 3.58Å; I6-V65 WeakPolarHBondContact CA-O 3.45Å; I6-I66 HydrophobicContact CD1-CG1 4.42Å; I6-I66 HydrophobicContact CG1-CG1 3.8Å
7	C	42.4	Very low	37.3	Very low	4 Å²	4	59.5 Å²	59.5	3%	0.027	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.3	170.7	-61.7	0	0	0	0	109.5	L17 C18 V65	C7-L17 WeakPolarHBondContact CA-O 3.28Å; C7-C18 PolarHBondContact SG-SG 3.44Å; C7-V65 PolarHBondContact N-O 3.48Å; C7-V65 PolarHBondContact O-N 3.1Å; C7-V65 VanDerWaalsContact O-N 3.17Å
8	E	41.5	Very low	37.3	Very low	43 Å²	43	59.6 Å²	59.6	20%	0.201	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.3	172.9	-62.3	-179	-177.1	0	0	109.9	I6 F16 L17 H57 A64 I225	I6-E8 HydrophobicContact CG2-CG 4.08Å; E8-F16 CarbonylContact O-C 3.58Å; E8-F16 VanDerWaalsContact O-CA 3.22Å; E8-F16 WeakPolarHBondContact O-CA 3.47Å; E8-L17 HydrophobicContact CB-CB 4.32Å; E8-L17 PolarHBondContact N-O 3.4Å; E8-L17 PolarHBondContact O-N 3.38Å; E8-H57 IonicContact OE1-CE1 3.18Å; E8-H57 PolarHBondContact OE1-CE1 3.38Å; E8-H57 IonicContact OE1-NE2 3.36Å; E8-H57 PolarHBondContact OE1-NE2 3.45Å; E8-A64 HydrophobicContact CG-CB 4.33Å; E8-I225 VanDerWaalsContact OE1-CD1 3.3Å; E8-I225 WeakPolarHBondContact OE1-CD1 3.48Å
9	E	39.2	Very low	37.2	Very low	30 Å²	30	58.1 Å²	58.1	14%	0.14	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.2	172.6	-169.4	176	-174	0	0	110.1	F16	E9-F16 HydrophobicContact CB-CD1 4.15Å; E9-F16 HydrophobicContact CB-CE1 3.92Å; E9-F16 HydrophobicContact CG-CD1 4.47Å; E9-F16 HydrophobicContact CG-CE1 3.98Å
10	R	38	Very low	37.1	Very low	122 Å²	122	59.2 Å²	59.2	46%	0.46	33%	0.328	S	S	.	.			trans	-81.8	151.5	175.9	-73.4	179.3	46.2	151.7	0.8	110.8	D12 G13 S15 L17	R10-D12 WeakPolarHBondContact CB-OD1 3.4Å; R10-D12 IonicContact CZ-OD2 3.22Å; R10-D12 VanDerWaalsContact CZ-OD2 3.22Å; R10-D12 IonicContact NE-OD1 2.83Å; R10-D12 IonicContact NE-OD2 3.99Å; R10-D12 PolarHBondContact NE-OD2 3.42Å; R10-D12 IonicContact NH2-OD2 2.77Å; R10-D12 PolarHBondContact NH2-OD2 3.45Å; R10-D12 PolarHBondContact O-N 3.27Å; R10-D12 VanDerWaalsContact O-N 3.1Å; R10-G13 PolarHBondContact O-N 2.79Å; R10-S15 WeakPolarHBondContact CB-O 3.23Å; R10-S15 VanDerWaalsContact CB-OG 3.29Å; R10-S15 WeakPolarHBondContact CB-OG 3.47Å; R10-S15 WeakPolarHBondContact CD-OG 3.22Å; R10-S15 PolarHBondContact N-O 3.23Å; R10-S15 PolarHBondContact NE-OG 3.31Å; R10-S15 VanDerWaalsContact NE-OG 3.09Å; R10-L17 HydrophobicContact CG-CB 4.29Å
11	T	36.7	Very low	37.2	Very low	112 Å²	112	58.8 Å²	58.8	69%	0.687	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-12.7	177.1	38.2	0	0	0	0	115.1	G13 R62	T11-G13 PolarHBondContact O-N 3.2Å; T11-R62 VanDerWaalsContact CG2-NH1 3.29Å
12	D	39.4	Very low	37.3	Very low	80 Å²	80	51.1 Å²	51.1	43%	0.428	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	15.2	179.9	53.4	22.7	0	0	0	113.2	R10 D14 S15	R10-D12 WeakPolarHBondContact CB-OD1 3.4Å; R10-D12 IonicContact CZ-OD2 3.22Å; R10-D12 VanDerWaalsContact CZ-OD2 3.22Å; R10-D12 IonicContact NE-OD1 2.83Å; R10-D12 IonicContact NE-OD2 3.99Å; R10-D12 PolarHBondContact NE-OD2 3.42Å; R10-D12 IonicContact NH2-OD2 2.77Å; R10-D12 PolarHBondContact NH2-OD2 3.45Å; R10-D12 PolarHBondContact O-N 3.27Å; R10-D12 VanDerWaalsContact O-N 3.1Å; D12-D14 PolarHBondContact O-N 3.39Å; D12-S15 WeakPolarHBondContact OD1-CB 3.32Å; D12-S15 PolarHBondContact OD1-OG 3.42Å; D12-S15 PolarHBondContact OD2-OG 2.78Å
13	G	37.9	Very low	37.5	Very low	31 Å²	31	48.5 Å²	48.5	32%	0.32	28%	0.28	S	S	.	.	S	Bend	trans	78.3	-10.7	158.3	0	0	0	0	0	116.3	R10 T11	R10-G13 PolarHBondContact O-N 2.79Å; T11-G13 PolarHBondContact O-N 3.2Å
14	D	39.2	Very low	37.5	Very low	101 Å²	101	52.9 Å²	52.9	54%	0.54	31%	0.305	S	S	.	.	S	Bend	trans	-145.2	0.3	179.4	-92.6	-41.2	0	0	0	115.9	D12 R88	D12-D14 PolarHBondContact O-N 3.39Å; D14-R88 IonicContact OD1-CZ 2.92Å; D14-R88 IonicContact OD1-NH2 2.72Å; D14-R88 PolarHBondContact OD1-NH2 2.99Å
15	S	32.9	Very low	37.1	Very low	38 Å²	38	54.8 Å²	54.8	27%	0.266	32%	0.318	S	S	.	.			trans	-113.7	148.5	-179.3	81.5	0	0	0	0	113.2	R10 D12	R10-S15 WeakPolarHBondContact CB-O 3.23Å; R10-S15 VanDerWaalsContact CB-OG 3.29Å; R10-S15 WeakPolarHBondContact CB-OG 3.47Å; R10-S15 WeakPolarHBondContact CD-OG 3.22Å; R10-S15 PolarHBondContact N-O 3.23Å; R10-S15 PolarHBondContact NE-OG 3.31Å; R10-S15 VanDerWaalsContact NE-OG 3.09Å; D12-S15 WeakPolarHBondContact OD1-CB 3.32Å; D12-S15 PolarHBondContact OD1-OG 3.42Å; D12-S15 PolarHBondContact OD2-OG 2.78Å
16	F	39	Very low	36.9	Very low	52 Å²	52	60 Å²	60	23%	0.228	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.6	174	-64.8	-85.3	0	0	0	108.9	E8 E9 K84 L87	E8-F16 CarbonylContact O-C 3.58Å; E8-F16 VanDerWaalsContact O-CA 3.22Å; E8-F16 WeakPolarHBondContact O-CA 3.47Å; E9-F16 HydrophobicContact CB-CD1 4.15Å; E9-F16 HydrophobicContact CB-CE1 3.92Å; E9-F16 HydrophobicContact CG-CD1 4.47Å; E9-F16 HydrophobicContact CG-CE1 3.98Å; F16-K84 HydrophobicContact CD2-CD 4.45Å; F16-K84 HydrophobicContact CE2-CB 3.86Å; F16-K84 HydrophobicContact CE2-CD 3.65Å; F16-K84 HydrophobicContact CE2-CG 3.53Å; F16-K84 HydrophobicContact CZ-CB 4.08Å; F16-K84 HydrophobicContact CZ-CD 4.49Å; F16-K84 HydrophobicContact CZ-CG 3.88Å; F16-L87 HydrophobicContact CD1-CD1 3.64Å; F16-L87 HydrophobicContact CE1-CB 3.78Å; F16-L87 HydrophobicContact CE1-CD1 3.28Å; F16-L87 HydrophobicContact CE1-CG 4.11Å; F16-L87 HydrophobicContact CZ-CB 4.24Å; F16-L87 HydrophobicContact CZ-CD1 4.25Å
17	L	35.1	Very low	36.4	Very low	53 Å²	53	64.2 Å²	64.2	28%	0.277	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	106.4	164.5	-157.8	93.5	0	0	0	107.6	C7 E8 R10	C7-L17 WeakPolarHBondContact CA-O 3.28Å; E8-L17 HydrophobicContact CB-CB 4.32Å; E8-L17 PolarHBondContact N-O 3.4Å; E8-L17 PolarHBondContact O-N 3.38Å; R10-L17 HydrophobicContact CG-CB 4.29Å
18	C	36.6	Very low	36.2	Very low	60 Å²	60	68.1 Å²	68.1	41%	0.405	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	107	171.2	-62	0	0	0	0	108.8	V5 I6 C7	V5-C18 HydrophobicContact CG1-CB 4.25Å; I6-C18 CarbonylContact O-C 3.45Å; I6-C18 VanDerWaalsContact O-CA 3.28Å; I6-C18 WeakPolarHBondContact O-CA 3.43Å; C7-C18 PolarHBondContact SG-SG 3.44Å
19	G	35.6	Very low	36.2	Very low	32 Å²	32	66.9 Å²	66.9	33%	0.33	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.5	169.6	0	0	0	0	0	110.5	I6 L21	I6-G19 PolarHBondContact N-O 3.47Å; I6-G19 PolarHBondContact O-N 2.83Å; G19-L21 PolarHBondContact O-N 2.63Å
20	L	34.1	Very low	36.3	Very low	79 Å²	79	69.7 Å²	69.7	41%	0.414	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	101.5	174.6	-132.7	121.8	0	0	0	108.6	A3 S4 V5 A22 F231	A3-L20 HydrophobicContact CB-CD2 3.65Å; S4-L20 CarbonylContact O-C 3.51Å; V5-L20 HydrophobicContact CG2-CD1 4.44Å; V5-L20 HydrophobicContact CG2-CG 4.35Å; L20-A22 PolarHBondContact O-N 3.09Å; L20-F231 WeakPolarHBondContact O-CE2 3.29Å; L20-F231 WeakPolarHBondContact O-CZ 3.34Å
21	L	39.3	Very low	36.6	Very low	52 Å²	52	67.3 Å²	67.3	27%	0.272	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	95.9	170.2	-153.3	85.2	0	0	0	109	S4 I6 G19 L23	S4-L21 CarbonylContact C-O 3.6Å; S4-L21 WeakPolarHBondContact CA-O 3.46Å; S4-L21 WeakPolarHBondContact CB-O 3.33Å; S4-L21 PolarHBondContact N-O 3.44Å; S4-L21 CarbonylContact O-C 3.56Å; S4-L21 VanDerWaalsContact O-C 3.29Å; S4-L21 WeakPolarHBondContact O-CA 3.46Å; S4-L21 PolarHBondContact O-N 2.87Å; I6-L21 HydrophobicContact CD1-CB 3.76Å; I6-L21 HydrophobicContact CD1-CD1 3.8Å; I6-L21 HydrophobicContact CD1-CD2 4Å; I6-L21 HydrophobicContact CD1-CG 4.04Å; I6-L21 HydrophobicContact CG1-CB 3.98Å; G19-L21 PolarHBondContact O-N 2.63Å; L21-L23 VanDerWaalsContact C-N 3.32Å; L21-L23 HydrophobicContact CD2-CD1 3.97Å; L21-L23 HydrophobicContact CD2-CD2 3.57Å; L21-L23 HydrophobicContact CD2-CG 3.67Å; L21-L23 HydrophobicContact CG-CD2 4.46Å; L21-L23 HydrophobicContact CG-CG 4.3Å; L21-L23 PolarHBondContact O-N 3.04Å
22	A	32.6	Very low	36.7	Very low	45 Å²	45	64.8 Å²	64.8	37%	0.372	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	92.1	166.7	0	0	0	0	0	108.9	L20 T24 F231	L20-A22 PolarHBondContact O-N 3.09Å; A22-T24 PolarHBondContact O-N 3.15Å; A22-T24 VanDerWaalsContact O-N 3.11Å; A22-F231 HydrophobicContact CB-CD1 4.33Å
23	L	36	Very low	36.7	Very low	23 Å²	23	62 Å²	62	12%	0.12	36%	0.358	C	S	.	.			trans	-74	102	170.3	-72.3	158.7	0	0	0	107.2	S4 L21 S25 K28 I29	S4-L23 WeakPolarHBondContact OG-CD1 3.46Å; L21-L23 VanDerWaalsContact C-N 3.32Å; L21-L23 HydrophobicContact CD2-CD1 3.97Å; L21-L23 HydrophobicContact CD2-CD2 3.57Å; L21-L23 HydrophobicContact CD2-CG 3.67Å; L21-L23 HydrophobicContact CG-CD2 4.46Å; L21-L23 HydrophobicContact CG-CG 4.3Å; L21-L23 PolarHBondContact O-N 3.04Å; L23-S25 PolarHBondContact O-N 3.3Å; L23-K28 HydrophobicContact CD2-CB 4.04Å; L23-I29 HydrophobicContact CB-CD1 4.03Å; L23-I29 HydrophobicContact CB-CG1 3.83Å; L23-I29 HydrophobicContact CD1-CB 4.28Å; L23-I29 HydrophobicContact CD1-CD1 3.67Å; L23-I29 HydrophobicContact CD1-CG1 3.46Å; L23-I29 VanDerWaalsContact CD1-CG1 3.46Å; L23-I29 HydrophobicContact CD1-CG2 4.37Å; L23-I29 HydrophobicContact CD2-CG1 4.19Å; L23-I29 HydrophobicContact CG-CD1 4.39Å; L23-I29 HydrophobicContact CG-CG1 3.98Å
24	T	30.4	Very low	36.8	Very low	117 Å²	117	64.7 Å²	64.7	72%	0.718	37%	0.373	S	S	*	.	S	Bend	trans	-73.2	-9.1	-175.1	47.3	0	0	0	0	113.7	A22	A22-T24 PolarHBondContact O-N 3.15Å; A22-T24 VanDerWaalsContact O-N 3.11Å
25	S	29	Very low	36.6	Very low	40 Å²	40	65.6 Å²	65.6	28%	0.28	38%	0.377	S	S	.	.	S	Bend	trans	-149.8	155.3	164.2	90.1	0	0	0	0	111.3	L23 D27 K28	L23-S25 PolarHBondContact O-N 3.3Å; S25-D27 WeakPolarHBondContact CB-OD2 3.41Å; S25-D27 PolarHBondContact O-N 2.89Å; S25-D27 WeakPolarHBondContact OG-CB 3.33Å; S25-D27 PolarHBondContact OG-N 3.38Å; S25-D27 PolarHBondContact OG-OD2 3.33Å; S25-K28 PolarHBondContact O-N 3.48Å
26	M	34.4	Very low	36.5	Very low	118 Å²	118	65.6 Å²	65.6	58%	0.581	38%	0.377	S	S	*	.	H	α-helix	trans	-56.7	-35.7	172	-78.1	-95.5	-161.3	0	0	111.3	K28 I29 D30	M26-K28 PolarHBondContact O-N 2.92Å; M26-I29 WeakPolarHBondContact O-CA 3.27Å; M26-I29 VanDerWaalsContact O-CB 3.23Å; M26-I29 WeakPolarHBondContact O-CB 3.29Å; M26-I29 WeakPolarHBondContact O-CG1 3.21Å; M26-I29 PolarHBondContact O-N 3.23Å; M26-D30 PolarHBondContact O-N 3.11Å
27	D	34.2	Very low	36.1	Very low	117 Å²	117	73.2 Å²	73.2	63%	0.626	40%	0.404	S	S	*	.	H	α-helix	trans	-60.7	-33.7	-178.3	-36	-60.2	0	0	0	112.6	S25 I29 D30 E31	S25-D27 WeakPolarHBondContact CB-OD2 3.41Å; S25-D27 PolarHBondContact O-N 2.89Å; S25-D27 WeakPolarHBondContact OG-CB 3.33Å; S25-D27 PolarHBondContact OG-N 3.38Å; S25-D27 PolarHBondContact OG-OD2 3.33Å; D27-I29 VanDerWaalsContact C-N 3.3Å; D27-I29 PolarHBondContact O-N 3.33Å; D27-D30 PolarHBondContact O-N 2.9Å; D27-E31 PolarHBondContact O-N 2.95Å; D27-E31 VanDerWaalsContact O-N 3.09Å
28	K	40	Very low	35.8	Very low	85 Å²	85	76.8 Å²	76.8	37%	0.37	42%	0.421	S	S	.	.	H	α-helix	trans	-72.2	-24.5	176	-70.5	-167.2	175.9	-175.4	0	112.9	L23 S25 M26 V32	L23-K28 HydrophobicContact CD2-CB 4.04Å; S25-K28 PolarHBondContact O-N 3.48Å; M26-K28 PolarHBondContact O-N 2.92Å; K28-V32 WeakPolarHBondContact O-CB 3.46Å; K28-V32 WeakPolarHBondContact O-CG2 3.48Å; K28-V32 PolarHBondContact O-N 2.96Å
29	I	40.6	Very low	35.5	Very low	17 Å²	17	80.5 Å²	80.5	9%	0.087	44%	0.442	C	S	.	.	H	α-helix	trans	-69.5	-41.6	174.7	-48.2	-162.7	0	0	0	109.4	L23 M26 D27 V32 S33	L23-I29 HydrophobicContact CB-CD1 4.03Å; L23-I29 HydrophobicContact CB-CG1 3.83Å; L23-I29 HydrophobicContact CD1-CB 4.28Å; L23-I29 HydrophobicContact CD1-CD1 3.67Å; L23-I29 HydrophobicContact CD1-CG1 3.46Å; L23-I29 VanDerWaalsContact CD1-CG1 3.46Å; L23-I29 HydrophobicContact CD1-CG2 4.37Å; L23-I29 HydrophobicContact CD2-CG1 4.19Å; L23-I29 HydrophobicContact CG-CD1 4.39Å; L23-I29 HydrophobicContact CG-CG1 3.98Å; M26-I29 WeakPolarHBondContact O-CA 3.27Å; M26-I29 VanDerWaalsContact O-CB 3.23Å; M26-I29 WeakPolarHBondContact O-CB 3.29Å; M26-I29 WeakPolarHBondContact O-CG1 3.21Å; M26-I29 PolarHBondContact O-N 3.23Å; D27-I29 VanDerWaalsContact C-N 3.3Å; D27-I29 PolarHBondContact O-N 3.33Å; I29-V32 PolarHBondContact O-N 3.45Å; I29-S33 VanDerWaalsContact O-CB 3.32Å; I29-S33 WeakPolarHBondContact O-CB 3.14Å; I29-S33 PolarHBondContact O-N 3.32Å; I29-S33 PolarHBondContact O-OG 3.04Å
30	D	41.8	Very low	34.9	Very low	89 Å²	89	87.3 Å²	87.3	48%	0.476	47%	0.466	S	S	.	.	H	α-helix	trans	-69.1	-38	178.8	-65.9	-27	0	0	0	111.1	M26 D27 S33 S34	M26-D30 PolarHBondContact O-N 3.11Å; D27-D30 PolarHBondContact O-N 2.9Å; D30-S33 CarbonylContact O-C 3.59Å; D30-S33 WeakPolarHBondContact O-CB 3.46Å; D30-S33 PolarHBondContact O-N 3.2Å; D30-S33 VanDerWaalsContact O-N 3.15Å; D30-S34 PolarHBondContact O-N 3.47Å; D30-S34 PolarHBondContact O-OG 3.17Å
31	E	43.2	Very low	34.5	Very low	72 Å²	72	91.1 Å²	91.1	34%	0.336	49%	0.486	S	S	.	.	H	α-helix	trans	-63.9	-41.4	173	-172.2	179.8	-171	0	0	113	D27 S33 S34 N35	D27-E31 PolarHBondContact O-N 2.95Å; D27-E31 VanDerWaalsContact O-N 3.09Å; E31-S33 VanDerWaalsContact C-N 3.28Å; E31-S34 WeakPolarHBondContact CA-OG 3.48Å; E31-S34 PolarHBondContact O-N 2.79Å; E31-S34 PolarHBondContact O-OG 3.45Å; E31-N35 WeakPolarHBondContact O-CB 3.37Å; E31-N35 PolarHBondContact O-N 2.97Å; E31-N35 PolarHBondContact O-ND2 3.07Å
32	V	39.8	Very low	33.9	Very low	59 Å²	59	95.8 Å²	95.8	36%	0.358	51%	0.507	S	S	.	.	H	α-helix	trans	-67.9	-32.7	173.1	171.6	0	0	0	0	110.9	K28 I29 S36	K28-V32 WeakPolarHBondContact O-CB 3.46Å; K28-V32 WeakPolarHBondContact O-CG2 3.48Å; K28-V32 PolarHBondContact O-N 2.96Å; I29-V32 PolarHBondContact O-N 3.45Å; V32-S36 PolarHBondContact O-N 3.06Å
33	S	38.6	Very low	33.5	Very low	21 Å²	21	99.8 Å²	99.8	15%	0.147	53%	0.527	C	S	.	.	H	α-helix	trans	-72.2	-34.8	177.4	-57	0	0	0	0	112.3	I29 D30 E31 K53	I29-S33 VanDerWaalsContact O-CB 3.32Å; I29-S33 WeakPolarHBondContact O-CB 3.14Å; I29-S33 PolarHBondContact O-N 3.32Å; I29-S33 PolarHBondContact O-OG 3.04Å; D30-S33 CarbonylContact O-C 3.59Å; D30-S33 WeakPolarHBondContact O-CB 3.46Å; D30-S33 PolarHBondContact O-N 3.2Å; D30-S33 VanDerWaalsContact O-N 3.15Å; E31-S33 VanDerWaalsContact C-N 3.28Å; S33-K53 PolarHBondContact OG-NZ 3.25Å
34	S	39.6	Very low	33	Very low	89 Å²	89	106.3 Å²	106.3	62%	0.622	56%	0.561	S	S	*	*	H	α-helix	trans	-74.9	-25.7	175.8	59.7	0	0	0	0	113.2	D30 E31	D30-S34 PolarHBondContact O-N 3.47Å; D30-S34 PolarHBondContact O-OG 3.17Å; E31-S34 WeakPolarHBondContact CA-OG 3.48Å; E31-S34 PolarHBondContact O-N 2.79Å; E31-S34 PolarHBondContact O-OG 3.45Å
35	N	36.2	Very low	32.8	Very low	120 Å²	120	109 Å²	109	64%	0.642	57%	0.565	S	S	*	*	H	α-helix	trans	-95.4	-15	-179.8	-73.7	-34.2	0	0	0	114.2	E31 R37	E31-N35 WeakPolarHBondContact O-CB 3.37Å; E31-N35 PolarHBondContact O-N 2.97Å; E31-N35 PolarHBondContact O-ND2 3.07Å; N35-R37 PolarHBondContact O-N 3.32Å
36	S	30.6	Very low	32.7	Very low	37 Å²	37	112.4 Å²	112.4	26%	0.259	59%	0.589	S	S	.	*	S	Bend	trans	-68.7	122.7	163.6	-90.6	0	0	0	0	108.3	V32 M38	V32-S36 PolarHBondContact O-N 3.06Å; S36-M38 PolarHBondContact O-N 3.01Å
37	R	30.1	Very low	32.4	Very low	212 Å²	212	111.2 Å²	111.2	80%	0.8	60%	0.598	S	S	*	*			trans	-63.5	73	167.9	-76.3	-178.8	165.3	-175	-4.6	109.6	N35 T39 V58	N35-R37 PolarHBondContact O-N 3.32Å; R37-T39 PolarHBondContact O-N 3.27Å; R37-V58 HydrophobicContact CG-CG2 4.47Å
38	M	29	Very low	32.2	Very low	128 Å²	128	111.3 Å²	111.3	63%	0.631	60%	0.603	S	S	*	*			trans	-74.1	102.4	160.5	-78.2	-158.1	-75	0	0	105.8	S36 E40	S36-M38 PolarHBondContact O-N 3.01Å; M38-E40 PolarHBondContact O-N 3.04Å
39	T	29.6	Very low	31.8	Very low	138 Å²	138	112.7 Å²	112.7	85%	0.847	62%	0.623	S	S	*	*			trans	-54.4	122	168.7	39.9	0	0	0	0	109	R37	R37-T39 PolarHBondContact O-N 3.27Å
40	E	24.2	Very low	31.6	Very low	176 Å²	176	113.4 Å²	113.4	82%	0.822	63%	0.632	S	S	*	*	S	Bend	trans	-9.5	138.3	174.1	-71	162.4	142.6	0	0	118.6	M38	M38-E40 PolarHBondContact O-N 3.04Å
41	N	25.4	Very low	31.6	Very low	159 Å²	159	110.8 Å²	110.8	85%	0.85	63%	0.626	S	S	*	*			trans	109.5	20.9	163.5	-60.7	-23.6	0	0	0	120.3
42	Q	27.8	Very low	31.5	Very low	150 Å²	150	108.3 Å²	108.3	70%	0.701	62%	0.616	S	S	*	*			trans	-123.3	104.8	167.9	-67.7	-171	-1	0	0	112	L44	Q42-L44 PolarHBondContact O-N 2.85Å
43	T	23.7	Very low	31.8	Very low	128 Å²	128	109.3 Å²	109.3	79%	0.785	62%	0.615	S	S	*	*			trans	-45.8	126.5	166.7	30.9	0	0	0	0	110.8	Q45	T43-Q45 PolarHBondContact O-N 2.65Å
44	L	26	Very low	32	Very low	160 Å²	160	110 Å²	110	84%	0.838	62%	0.615	S	S	*	*			trans	-54.1	98.2	170.5	-90.8	113	0	0	0	109.7	Q42	Q42-L44 PolarHBondContact O-N 2.85Å
45	Q	24.8	Very low	32.1	Very low	174 Å²	174	107.4 Å²	107.4	81%	0.813	59%	0.592	S	S	*	*			trans	-80.4	129.3	164.1	-80.8	-176.3	-21.2	0	0	108.7	T43 A47	T43-Q45 PolarHBondContact O-N 2.65Å; Q45-A47 PolarHBondContact O-N 2.9Å
46	S	26.4	Very low	32.3	Very low	111 Å²	111	109.4 Å²	109.4	78%	0.776	59%	0.591	S	S	*	*			trans	-47.2	130.7	172.8	37.9	0	0	0	0	111.4	T48	S46-T48 PolarHBondContact O-N 3.5Å
47	A	29.8	Very low	32.5	Very low	94 Å²	94	109.9 Å²	109.9	78%	0.777	59%	0.589	S	S	*	*			trans	-56.9	103.2	-172.5	0	0	0	0	0	113	Q45	Q45-A47 PolarHBondContact O-N 2.9Å
48	T	28.7	Very low	32.5	Very low	118 Å²	118	105 Å²	105	72%	0.724	58%	0.583	S	S	*	*			trans	-73.6	151.9	162.9	30.5	0	0	0	0	110.6	S46 A50 G51	S46-T48 PolarHBondContact O-N 3.5Å; T48-A50 PolarHBondContact O-N 3.3Å; T48-G51 PolarHBondContact O-N 2.96Å
49	S	32	Very low	32.6	Very low	114 Å²	114	102.8 Å²	102.8	80%	0.797	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.9	119.5	-177.7	170.1	0	0	0	0	111.8
50	A	37.2	Very low	33	Very low	32 Å²	32	98.5 Å²	98.5	26%	0.264	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	71.9	56.7	-177.4	0	0	0	0	0	115.8	T48 V52	T48-A50 PolarHBondContact O-N 3.3Å; A50-V52 PolarHBondContact O-N 2.81Å
51	G	41.5	Very low	33.8	Very low	35 Å²	35	94.3 Å²	94.3	36%	0.361	55%	0.551	S	S	.	*			trans	-70.3	112.3	168.1	0	0	0	0	0	111.9	T48 N68	T48-G51 PolarHBondContact O-N 2.96Å; G51-N68 PolarHBondContact O-N 3.35Å
52	V	41.8	Very low	34.5	Very low	19 Å²	19	92 Å²	92	12%	0.115	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	122.8	164.1	173.1	0	0	0	0	108.3	A50 Y54 V65 I66 L110	A50-V52 PolarHBondContact O-N 2.81Å; V52-Y54 HydrophobicContact CG1-CD2 4.35Å; V52-Y54 HydrophobicContact CG1-CE1 4.35Å; V52-Y54 HydrophobicContact CG1-CE2 3.75Å; V52-V65 HydrophobicContact CG1-CG1 3.26Å; V52-I66 CarbonylContact C-O 3.54Å; V52-I66 WeakPolarHBondContact CA-O 3.45Å; V52-L110 HydrophobicContact CB-CD1 3.68Å; V52-L110 HydrophobicContact CG1-CD1 4.37Å; V52-L110 HydrophobicContact CG2-CD1 3.35Å; V52-L110 HydrophobicContact CG2-CD2 3.83Å; V52-L110 HydrophobicContact CG2-CG 4.24Å
53	K	45.1	Very low	35.1	Very low	81 Å²	81	85.6 Å²	85.6	35%	0.352	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.6	176.4	-71.9	-177.3	175.2	179.3	0	109.3	S33 I66	S33-K53 PolarHBondContact OG-NZ 3.25Å; K53-I66 HydrophobicContact CB-CB 4.26Å; K53-I66 PolarHBondContact N-O 2.93Å; K53-I66 PolarHBondContact O-N 3.23Å
54	Y	42.5	Very low	36	Very low	35 Å²	35	79.6 Å²	79.6	14%	0.137	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	131.8	173.5	-64.4	-85.8	0	0	0	109.5	V52 V65 T86 L90 K103 A106	V52-Y54 HydrophobicContact CG1-CD2 4.35Å; V52-Y54 HydrophobicContact CG1-CE1 4.35Å; V52-Y54 HydrophobicContact CG1-CE2 3.75Å; Y54-V65 HydrophobicContact CD1-CG2 3.7Å; Y54-V65 HydrophobicContact CE1-CG1 4.27Å; Y54-V65 HydrophobicContact CE1-CG2 3.65Å; Y54-T86 HydrophobicContact CE1-CG2 3.71Å; Y54-L90 HydrophobicContact CD1-CD1 4.02Å; Y54-L90 HydrophobicContact CE1-CD1 4.32Å; Y54-K103 HydrophobicContact CE2-CG 4.46Å; Y54-A106 WeakPolarHBondContact OH-CB 3.28Å
55	F	42.7	Very low	37	Very low	34 Å²	34	72 Å²	72	15%	0.149	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.5	174.2	57.6	-75.5	0	0	0	110.2	I6 H57 A64 I66	I6-F55 HydrophobicContact CG2-CZ 3.9Å; F55-H57 AromaticContact CE2-NE2 3.9Å; F55-A64 HydrophobicContact CD1-CB 4.3Å; F55-A64 WeakPolarHBondContact CD1-O 3.41Å; F55-A64 HydrophobicContact CD2-CB 3.8Å; F55-A64 HydrophobicContact CE1-CB 3.78Å; F55-A64 HydrophobicContact CE2-CB 3.3Å; F55-A64 HydrophobicContact CG-CB 4.29Å; F55-A64 HydrophobicContact CZ-CB 3.29Å; F55-A64 PolarHBondContact N-O 2.69Å; F55-A64 PolarHBondContact O-N 3.37Å; F55-A64 VanDerWaalsContact O-O 3.09Å; F55-I66 HydrophobicContact CD1-CD1 3.71Å; F55-I66 HydrophobicContact CD1-CG1 4.06Å; F55-I66 HydrophobicContact CE1-CB 4.14Å; F55-I66 HydrophobicContact CE1-CD1 3.49Å; F55-I66 VanDerWaalsContact CE1-CD1 3.49Å; F55-I66 HydrophobicContact CE1-CG1 3.41Å; F55-I66 VanDerWaalsContact CE1-CG1 3.41Å; F55-I66 HydrophobicContact CZ-CD1 4.15Å; F55-I66 HydrophobicContact CZ-CG1 4.09Å
56	R	38.6	Very low	38	Very low	163 Å²	163	64.4 Å²	64.4	62%	0.615	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.8	170.7	-172.3	179.1	174.9	160.7	1.5	107	V58 D61	R56-V58 PolarHBondContact O-N 3.05Å; R56-D61 IonicContact CZ-OD1 3.14Å; R56-D61 IonicContact CZ-OD2 3.98Å; R56-D61 IonicContact NE-OD1 2.85Å; R56-D61 PolarHBondContact NE-OD1 3.23Å; R56-D61 IonicContact NH2-OD1 3.84Å; R56-D61 PolarHBondContact NH2-OD1 3.27Å; R56-D61 IonicContact NH2-OD2 2.94Å; R56-D61 PolarHBondContact NH2-OD2 2.85Å
57	H	35.5	Very low	38.9	Very low	46 Å²	46	59.3 Å²	59.3	21%	0.213	35%	0.354	C	S	.	.			trans	-62.1	129.8	175	-82.6	-93.5	0	0	0	110.4	E8 F55 G59 S60 R62 A64	E8-H57 IonicContact OE1-CE1 3.18Å; E8-H57 PolarHBondContact OE1-CE1 3.38Å; E8-H57 IonicContact OE1-NE2 3.36Å; E8-H57 PolarHBondContact OE1-NE2 3.45Å; F55-H57 AromaticContact CE2-NE2 3.9Å; H57-G59 PolarHBondContact O-N 2.83Å; H57-G59 VanDerWaalsContact O-N 3.09Å; H57-S60 WeakPolarHBondContact CB-OG 3.5Å; H57-S60 PolarHBondContact O-N 2.82Å; H57-R62 PolarHBondContact N-O 3.32Å; H57-R62 VanDerWaalsContact N-O 3.14Å; H57-A64 WeakPolarHBondContact NE2-CB 3.35Å
58	V	31.1	Very low	39.6	Very low	110 Å²	110	55.9 Å²	55.9	67%	0.667	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	111.4	167.7	-178.2	0	0	0	0	107.5	R37 R56	R37-V58 HydrophobicContact CG-CG2 4.47Å; R56-V58 PolarHBondContact O-N 3.05Å
59	G	30.5	Very low	40.1	Very low	82 Å²	82	52.1 Å²	52.1	85%	0.845	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.2	0.4	176	0	0	0	0	0	116.9	H57	H57-G59 PolarHBondContact O-N 2.83Å; H57-G59 VanDerWaalsContact O-N 3.09Å
60	S	37.5	Very low	40.6	Very low	48 Å²	48	47.3 Å²	47.3	34%	0.336	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	-2.8	175.9	74.4	0	0	0	0	116.2	H57 R62	H57-S60 WeakPolarHBondContact CB-OG 3.5Å; H57-S60 PolarHBondContact O-N 2.82Å; S60-R62 WeakPolarHBondContact O-CG 3.36Å; S60-R62 PolarHBondContact O-N 2.85Å
61	D	40.7	Very low	40.7	Very low	87 Å²	87	53.8 Å²	53.8	47%	0.465	29%	0.287	S	S	.	.			trans	53.6	10.9	-175.9	-76.3	-9.3	0	0	0	115.6	R56	R56-D61 IonicContact CZ-OD1 3.14Å; R56-D61 IonicContact CZ-OD2 3.98Å; R56-D61 IonicContact NE-OD1 2.85Å; R56-D61 PolarHBondContact NE-OD1 3.23Å; R56-D61 IonicContact NH2-OD1 3.84Å; R56-D61 PolarHBondContact NH2-OD1 3.27Å; R56-D61 IonicContact NH2-OD2 2.94Å; R56-D61 PolarHBondContact NH2-OD2 2.85Å
62	R	40.2	Very low	40.8	Very low	112 Å²	112	54.3 Å²	54.3	42%	0.423	29%	0.285	S	S	.	.			trans	-87.9	134.1	-177.6	-72.1	169.7	-164.2	179.1	5.3	110.4	T11 H57 S60	T11-R62 VanDerWaalsContact CG2-NH1 3.29Å; H57-R62 PolarHBondContact N-O 3.32Å; H57-R62 VanDerWaalsContact N-O 3.14Å; S60-R62 WeakPolarHBondContact O-CG 3.36Å; S60-R62 PolarHBondContact O-N 2.85Å
63	P	40.7	Very low	40.8	Very low	15 Å²	15	56.8 Å²	56.8	10%	0.097	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	139.4	170.8	31.8	-35	0	0	0	109.7	L87 L90	P63-L87 HydrophobicContact CB-CD2 3.82Å; P63-L87 HydrophobicContact CG-CD2 3.81Å; P63-L90 HydrophobicContact CB-CB 3.69Å; P63-L90 HydrophobicContact CB-CD1 3.84Å; P63-L90 HydrophobicContact CB-CG 4.41Å; P63-L90 HydrophobicContact CG-CB 3.64Å
64	A	43.1	Very low	40.8	Very low	1 Å²	1	55.9 Å²	55.9	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	153.7	171.3	0	0	0	0	0	109.7	E8 F55 H57	E8-A64 HydrophobicContact CG-CB 4.33Å; F55-A64 HydrophobicContact CD1-CB 4.3Å; F55-A64 WeakPolarHBondContact CD1-O 3.41Å; F55-A64 HydrophobicContact CD2-CB 3.8Å; F55-A64 HydrophobicContact CE1-CB 3.78Å; F55-A64 HydrophobicContact CE2-CB 3.3Å; F55-A64 HydrophobicContact CG-CB 4.29Å; F55-A64 HydrophobicContact CZ-CB 3.29Å; F55-A64 PolarHBondContact N-O 2.69Å; F55-A64 PolarHBondContact O-N 3.37Å; F55-A64 VanDerWaalsContact O-O 3.09Å; H57-A64 WeakPolarHBondContact NE2-CB 3.35Å
65	V	47.2	Very low	41	Very low	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	125.6	-171	-174.9	0	0	0	0	109.9	I6 C7 V52 Y54 I67 L87	I6-V65 CarbonylContact C-O 3.58Å; I6-V65 WeakPolarHBondContact CA-O 3.45Å; C7-V65 PolarHBondContact N-O 3.48Å; C7-V65 PolarHBondContact O-N 3.1Å; C7-V65 VanDerWaalsContact O-N 3.17Å; V52-V65 HydrophobicContact CG1-CG1 3.26Å; Y54-V65 HydrophobicContact CD1-CG2 3.7Å; Y54-V65 HydrophobicContact CE1-CG1 4.27Å; Y54-V65 HydrophobicContact CE1-CG2 3.65Å; V65-I67 HydrophobicContact CG1-CG1 4.17Å; V65-L87 HydrophobicContact CG2-CD1 4.18Å; V65-L87 HydrophobicContact CG2-CD2 3.8Å; V65-L87 HydrophobicContact CG2-CG 4.02Å
66	I	45.8	Very low	41.3	Very low	15 Å²	15	61.1 Å²	61.1	8%	0.077	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	119	168.1	-78.2	148.6	0	0	0	107.2	V5 I6 V52 K53 F55	V5-I66 CarbonylContact O-C 3.44Å; V5-I66 WeakPolarHBondContact O-CA 3.45Å; I6-I66 HydrophobicContact CD1-CG1 4.42Å; I6-I66 HydrophobicContact CG1-CG1 3.8Å; V52-I66 CarbonylContact C-O 3.54Å; V52-I66 WeakPolarHBondContact CA-O 3.45Å; K53-I66 HydrophobicContact CB-CB 4.26Å; K53-I66 PolarHBondContact N-O 2.93Å; K53-I66 PolarHBondContact O-N 3.23Å; F55-I66 HydrophobicContact CD1-CD1 3.71Å; F55-I66 HydrophobicContact CD1-CG1 4.06Å; F55-I66 HydrophobicContact CE1-CB 4.14Å; F55-I66 HydrophobicContact CE1-CD1 3.49Å; F55-I66 VanDerWaalsContact CE1-CD1 3.49Å; F55-I66 HydrophobicContact CE1-CG1 3.41Å; F55-I66 VanDerWaalsContact CE1-CG1 3.41Å; F55-I66 HydrophobicContact CZ-CD1 4.15Å; F55-I66 HydrophobicContact CZ-CG1 4.09Å
67	I	45.9	Very low	41.7	Very low	4 Å²	4	62.2 Å²	62.2	2%	0.021	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	107	175	-54.6	157.8	0	0	0	107.4	S4 V5 V65 F79 N83	S4-I67 CarbonylContact C-O 3.55Å; S4-I67 WeakPolarHBondContact CA-O 3.41Å; V5-I67 HydrophobicContact CB-CB 4.23Å; V5-I67 HydrophobicContact CB-CD1 4.16Å; V5-I67 HydrophobicContact CG1-CD1 4.34Å; V5-I67 PolarHBondContact N-O 3.36Å; V5-I67 PolarHBondContact O-N 3.31Å; V65-I67 HydrophobicContact CG1-CG1 4.17Å; I67-F79 HydrophobicContact CD1-CB 3.95Å; I67-F79 HydrophobicContact CG2-CB 4.2Å; I67-F79 HydrophobicContact CG2-CD1 4.09Å; I67-F79 HydrophobicContact CG2-CD2 3.82Å; I67-F79 HydrophobicContact CG2-CE1 4.47Å; I67-F79 HydrophobicContact CG2-CE2 4.21Å; I67-F79 HydrophobicContact CG2-CG 3.79Å; I67-N83 VanDerWaalsContact CD1-ND2 3.33Å; I67-N83 WeakPolarHBondContact CD1-ND2 2.86Å; I67-N83 WeakPolarHBondContact CG1-ND2 2.98Å
68	N	42.6	Very low	42.3	Very low	23 Å²	23	62.6 Å²	62.6	12%	0.123	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	144	173.8	-158.8	-2.6	0	0	0	110.7	S4 G51	S4-N68 PolarHBondContact OG-OD1 3.16Å; G51-N68 PolarHBondContact O-N 3.35Å
69	N	40	Very low	43.2	Very low	38 Å²	38	58.4 Å²	58.4	20%	0.203	32%	0.318	C	S	.	.			trans	66.1	42.4	169.4	-66.1	-30.7	0	0	0	117.6	N2 A3 K71	N2-N69 VanDerWaalsContact CB-OD1 3.28Å; N2-N69 WeakPolarHBondContact CB-OD1 3.12Å; N2-N69 PolarHBondContact ND2-OD1 2.99Å; N2-N69 PolarHBondContact OD1-OD1 3.11Å; A3-N69 PolarHBondContact O-N 3.01Å; N69-K71 PolarHBondContact O-N 3.03Å
70	S	42.3	Very low	44	Very low	13 Å²	13	58.6 Å²	58.6	9%	0.091	30%	0.296	C	S	.	.			trans	-72.7	96.8	163	70.8	0	0	0	0	109.8	R76	S70-R76 WeakPolarHBondContact OG-CG 3.3Å
71	K	38.9	Very low	44.5	Very low	168 Å²	168	60.1 Å²	60.1	73%	0.73	30%	0.304	S	S	*	.			trans	-76.7	-24	179.5	-61.9	177.9	-179.4	175.5	0	112.2	N69 E75	N69-K71 PolarHBondContact O-N 3.03Å; K71-E75 WeakPolarHBondContact CA-OE2 3.47Å; K71-E75 VanDerWaalsContact CB-OE2 3.29Å; K71-E75 WeakPolarHBondContact CB-OE2 3.01Å; K71-E75 PolarHBondContact N-OE2 3.09Å
72	S	43.9	Very low	44.9	Very low	46 Å²	46	56.3 Å²	56.3	32%	0.322	29%	0.285	S	S	.	.	S	Bend	trans	-133	161.2	-178.8	75.6	0	0	0	0	115.1	A74 E75 R76	S72-A74 VanDerWaalsContact C-N 3.29Å; S72-A74 PolarHBondContact O-N 2.91Å; S72-E75 PolarHBondContact N-OE2 3.28Å; S72-E75 WeakPolarHBondContact O-CB 3.39Å; S72-E75 PolarHBondContact O-N 3.48Å; S72-E75 WeakPolarHBondContact OG-CB 3.46Å; S72-E75 VanDerWaalsContact OG-CG 3.27Å; S72-E75 WeakPolarHBondContact OG-CG 3.26Å; S72-E75 PolarHBondContact OG-N 3.41Å; S72-E75 VanDerWaalsContact OG-N 3.08Å; S72-R76 PolarHBondContact O-N 2.82Å
73	A	43	Very low	45.3	Very low	71 Å²	71	51.1 Å²	51.1	59%	0.587	27%	0.266	S	S	*	.	H	α-helix	trans	-66.2	-30.3	174.3	0	0	0	0	0	112.8	R76 R77	A73-R76 PolarHBondContact O-N 2.96Å; A73-R77 PolarHBondContact O-N 3.08Å
74	A	44.2	Very low	45.7	Very low	62 Å²	62	53.9 Å²	53.9	51%	0.512	28%	0.276	S	S	.	.	H	α-helix	trans	-67.7	-43.4	173.6	0	0	0	0	0	111.1	S72 R77 N78	S72-A74 VanDerWaalsContact C-N 3.29Å; S72-A74 PolarHBondContact O-N 2.91Å; A74-R77 PolarHBondContact O-N 3.48Å; A74-N78 WeakPolarHBondContact O-CB 3.41Å; A74-N78 PolarHBondContact O-N 3.33Å; A74-N78 PolarHBondContact O-OD1 2.92Å
75	E	46.4	Very low	45.8	Very low	69 Å²	69	56.4 Å²	56.4	32%	0.322	30%	0.297	S	S	.	.	H	α-helix	trans	-58.6	-47.8	171.7	-78.9	168.9	179.9	0	0	110.9	K71 S72 R77 N78 F79	K71-E75 WeakPolarHBondContact CA-OE2 3.47Å; K71-E75 VanDerWaalsContact CB-OE2 3.29Å; K71-E75 WeakPolarHBondContact CB-OE2 3.01Å; K71-E75 PolarHBondContact N-OE2 3.09Å; S72-E75 PolarHBondContact N-OE2 3.28Å; S72-E75 WeakPolarHBondContact O-CB 3.39Å; S72-E75 PolarHBondContact O-N 3.48Å; S72-E75 WeakPolarHBondContact OG-CB 3.46Å; S72-E75 VanDerWaalsContact OG-CG 3.27Å; S72-E75 WeakPolarHBondContact OG-CG 3.26Å; S72-E75 PolarHBondContact OG-N 3.41Å; S72-E75 VanDerWaalsContact OG-N 3.08Å; E75-R77 PolarHBondContact O-N 2.91Å; E75-N78 PolarHBondContact O-N 3.35Å; E75-F79 HydrophobicContact CB-CD2 4.09Å; E75-F79 HydrophobicContact CB-CE2 3.76Å; E75-F79 HydrophobicContact CG-CE2 4.38Å; E75-F79 WeakPolarHBondContact O-CB 2.84Å; E75-F79 WeakPolarHBondContact O-CD2 3.43Å; E75-F79 VanDerWaalsContact O-CG 3.29Å; E75-F79 WeakPolarHBondContact O-CG 3.29Å; E75-F79 PolarHBondContact O-N 3.1Å
76	R	49.1	Very low	45.7	Very low	111 Å²	111	56.8 Å²	56.8	42%	0.419	30%	0.3	S	S	.	.	H	α-helix	trans	-54.5	-47.6	175.2	-70.2	-177.1	-140	162.7	5.3	112.8	S70 S72 A73 F79 E80	S70-R76 WeakPolarHBondContact OG-CG 3.3Å; S72-R76 PolarHBondContact O-N 2.82Å; A73-R76 PolarHBondContact O-N 2.96Å; R76-F79 PolarHBondContact O-N 3.45Å; R76-E80 WeakPolarHBondContact O-CB 3.45Å; R76-E80 VanDerWaalsContact O-CG 3.29Å; R76-E80 WeakPolarHBondContact O-CG 3.43Å; R76-E80 PolarHBondContact O-N 3.48Å
77	R	47.9	Very low	45.7	Very low	185 Å²	185	56.1 Å²	56.1	70%	0.698	30%	0.296	S	S	*	.	H	α-helix	trans	-64.1	-40.2	177.6	-88.8	-169.5	-178.2	-175.2	2.1	113.1	A73 A74 E75 F79 E80 T81	A73-R77 PolarHBondContact O-N 3.08Å; A74-R77 PolarHBondContact O-N 3.48Å; E75-R77 PolarHBondContact O-N 2.91Å; R77-F79 VanDerWaalsContact C-N 3.34Å; R77-E80 PolarHBondContact O-N 3.45Å; R77-T81 WeakPolarHBondContact O-CB 3.38Å; R77-T81 PolarHBondContact O-N 3.3Å; R77-T81 PolarHBondContact O-OG1 2.85Å
78	N	47.9	Very low	45.6	Very low	55 Å²	55	61 Å²	61	29%	0.294	32%	0.315	S	S	.	.	H	α-helix	trans	-64.1	-44.5	177	-69.7	-8.2	0	0	0	110	A74 E75 T81 G82 F109 L116	A74-N78 WeakPolarHBondContact O-CB 3.41Å; A74-N78 PolarHBondContact O-N 3.33Å; A74-N78 PolarHBondContact O-OD1 2.92Å; E75-N78 PolarHBondContact O-N 3.35Å; N78-T81 PolarHBondContact O-N 3.31Å; N78-G82 PolarHBondContact O-N 3.37Å; N78-F109 VanDerWaalsContact O-CE1 3.27Å; N78-F109 WeakPolarHBondContact O-CE1 3.4Å; N78-L116 HydrophobicContact CB-CD1 3.77Å; N78-L116 WeakPolarHBondContact OD1-CD1 3.22Å
79	F	49.6	Very low	45.6	Very low	22 Å²	22	65.1 Å²	65.1	10%	0.096	33%	0.328	C	S	.	.	H	α-helix	trans	-63	-44.6	175.2	-69	-57	0	0	0	112.5	I67 E75 R76 R77 T81 G82 N83 L110	I67-F79 HydrophobicContact CD1-CB 3.95Å; I67-F79 HydrophobicContact CG2-CB 4.2Å; I67-F79 HydrophobicContact CG2-CD1 4.09Å; I67-F79 HydrophobicContact CG2-CD2 3.82Å; I67-F79 HydrophobicContact CG2-CE1 4.47Å; I67-F79 HydrophobicContact CG2-CE2 4.21Å; I67-F79 HydrophobicContact CG2-CG 3.79Å; E75-F79 HydrophobicContact CB-CD2 4.09Å; E75-F79 HydrophobicContact CB-CE2 3.76Å; E75-F79 HydrophobicContact CG-CE2 4.38Å; E75-F79 WeakPolarHBondContact O-CB 2.84Å; E75-F79 WeakPolarHBondContact O-CD2 3.43Å; E75-F79 VanDerWaalsContact O-CG 3.29Å; E75-F79 WeakPolarHBondContact O-CG 3.29Å; E75-F79 PolarHBondContact O-N 3.1Å; R76-F79 PolarHBondContact O-N 3.45Å; R77-F79 VanDerWaalsContact C-N 3.34Å; F79-T81 VanDerWaalsContact C-N 3.29Å; F79-T81 PolarHBondContact O-N 2.94Å; F79-G82 PolarHBondContact O-N 3.02Å; F79-N83 WeakPolarHBondContact O-CB 3.47Å; F79-N83 VanDerWaalsContact O-CG 3.24Å; F79-N83 PolarHBondContact O-N 2.77Å; F79-N83 PolarHBondContact O-ND2 2.92Å; F79-L110 HydrophobicContact CD1-CD2 3.21Å; F79-L110 HydrophobicContact CE1-CD2 3.25Å
80	E	47.4	Very low	45.6	Very low	85 Å²	85	64.4 Å²	64.4	40%	0.397	32%	0.324	S	S	.	.	H	α-helix	trans	-59.6	-40.1	174.7	-76.5	171.4	176.6	0	0	111.7	R76 R77 K84	R76-E80 WeakPolarHBondContact O-CB 3.45Å; R76-E80 VanDerWaalsContact O-CG 3.29Å; R76-E80 WeakPolarHBondContact O-CG 3.43Å; R76-E80 PolarHBondContact O-N 3.48Å; R77-E80 PolarHBondContact O-N 3.45Å; E80-K84 WeakPolarHBondContact O-CB 3.32Å; E80-K84 PolarHBondContact O-N 2.75Å
81	T	48.4	Very low	45.6	Very low	81 Å²	81	69.9 Å²	69.9	50%	0.497	34%	0.343	S	S	.	.	H	α-helix	trans	-70.8	-44.5	179.9	-53.8	0	0	0	0	111.9	R77 N78 F79 A85	R77-T81 WeakPolarHBondContact O-CB 3.38Å; R77-T81 PolarHBondContact O-N 3.3Å; R77-T81 PolarHBondContact O-OG1 2.85Å; N78-T81 PolarHBondContact O-N 3.31Å; F79-T81 VanDerWaalsContact C-N 3.29Å; F79-T81 PolarHBondContact O-N 2.94Å; T81-A85 PolarHBondContact O-N 2.82Å
82	G	48.3	Very low	45.5	Very low	7 Å²	7	66.7 Å²	66.7	7%	0.072	34%	0.34	C	S	.	.	H	α-helix	trans	-67.7	-39.5	176	0	0	0	0	0	113.1	N78 F79 A85 T86	N78-G82 PolarHBondContact O-N 3.37Å; F79-G82 PolarHBondContact O-N 3.02Å; G82-A85 PolarHBondContact O-N 3.45Å; G82-T86 PolarHBondContact O-N 3.22Å; G82-T86 VanDerWaalsContact O-N 3.12Å; G82-T86 PolarHBondContact O-OG1 3.03Å
83	N	49.7	Very low	45.4	Very low	3 Å²	3	68.4 Å²	68.4	2%	0.016	37%	0.365	C	S	.	.	H	α-helix	trans	-74.3	-30.1	178	-71.9	-31.6	0	0	0	112.4	I67 F79 A85 T86 L87	I67-N83 VanDerWaalsContact CD1-ND2 3.33Å; I67-N83 WeakPolarHBondContact CD1-ND2 2.86Å; I67-N83 WeakPolarHBondContact CG1-ND2 2.98Å; F79-N83 WeakPolarHBondContact O-CB 3.47Å; F79-N83 VanDerWaalsContact O-CG 3.24Å; F79-N83 PolarHBondContact O-N 2.77Å; F79-N83 PolarHBondContact O-ND2 2.92Å; N83-A85 VanDerWaalsContact C-N 3.3Å; N83-A85 PolarHBondContact O-N 2.91Å; N83-T86 PolarHBondContact O-N 2.71Å; N83-L87 HydrophobicContact CB-CD1 4.42Å; N83-L87 WeakPolarHBondContact O-CB 3.33Å; N83-L87 VanDerWaalsContact O-CG 3.31Å; N83-L87 WeakPolarHBondContact O-CG 3.34Å; N83-L87 PolarHBondContact O-N 2.85Å
84	K	48.5	Very low	45.3	Very low	72 Å²	72	68 Å²	68	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-38.3	170.9	-179.3	161.5	-170.4	164.8	0	112.1	F16 E80 R88	F16-K84 HydrophobicContact CD2-CD 4.45Å; F16-K84 HydrophobicContact CE2-CB 3.86Å; F16-K84 HydrophobicContact CE2-CD 3.65Å; F16-K84 HydrophobicContact CE2-CG 3.53Å; F16-K84 HydrophobicContact CZ-CB 4.08Å; F16-K84 HydrophobicContact CZ-CD 4.49Å; F16-K84 HydrophobicContact CZ-CG 3.88Å; E80-K84 WeakPolarHBondContact O-CB 3.32Å; E80-K84 PolarHBondContact O-N 2.75Å; K84-R88 WeakPolarHBondContact O-CB 3.43Å; K84-R88 WeakPolarHBondContact O-CD 3.37Å; K84-R88 WeakPolarHBondContact O-CG 3.35Å; K84-R88 PolarHBondContact O-N 3.13Å
85	A	44.4	Very low	44.8	Very low	55 Å²	55	70.7 Å²	70.7	46%	0.455	36%	0.361	S	S	.	.	H	α-helix	trans	-69.7	-34.8	174.4	0	0	0	0	0	112.4	T81 G82 N83 R89	T81-A85 PolarHBondContact O-N 2.82Å; G82-A85 PolarHBondContact O-N 3.45Å; N83-A85 VanDerWaalsContact C-N 3.3Å; N83-A85 PolarHBondContact O-N 2.91Å; A85-R89 WeakPolarHBondContact O-CG 3.35Å
86	T	45.9	Very low	44.4	Very low	8 Å²	8	72.6 Å²	72.6	5%	0.049	38%	0.381	C	S	.	.	H	α-helix	trans	-78.3	-46.2	-178.6	-51.6	0	0	0	0	112.2	Y54 G82 N83 R88 R89 L90 A106	Y54-T86 HydrophobicContact CE1-CG2 3.71Å; G82-T86 PolarHBondContact O-N 3.22Å; G82-T86 VanDerWaalsContact O-N 3.12Å; G82-T86 PolarHBondContact O-OG1 3.03Å; N83-T86 PolarHBondContact O-N 2.71Å; T86-R88 VanDerWaalsContact C-N 3.32Å; T86-R88 PolarHBondContact O-N 3.5Å; T86-R89 WeakPolarHBondContact O-CB 3.27Å; T86-R89 PolarHBondContact O-N 3.11Å; T86-L90 HydrophobicContact CG2-CD1 4.26Å; T86-L90 WeakPolarHBondContact O-CG 3.43Å; T86-L90 PolarHBondContact O-N 3.15Å; T86-A106 HydrophobicContact CG2-CB 3.72Å; T86-A106 VanDerWaalsContact OG1-CB 3.3Å; T86-A106 WeakPolarHBondContact OG1-CB 3.16Å
87	L	45.3	Very low	43.9	Very low	1 Å²	1	70.8 Å²	70.8	1%	0.005	39%	0.39	C	S	.	.	H	α-helix	trans	-60.4	-39.9	176	-75.3	165.7	0	0	0	111.5	F16 P63 V65 N83 R89 L90	F16-L87 HydrophobicContact CD1-CD1 3.64Å; F16-L87 HydrophobicContact CE1-CB 3.78Å; F16-L87 HydrophobicContact CE1-CD1 3.28Å; F16-L87 HydrophobicContact CE1-CG 4.11Å; F16-L87 HydrophobicContact CZ-CB 4.24Å; F16-L87 HydrophobicContact CZ-CD1 4.25Å; P63-L87 HydrophobicContact CB-CD2 3.82Å; P63-L87 HydrophobicContact CG-CD2 3.81Å; V65-L87 HydrophobicContact CG2-CD1 4.18Å; V65-L87 HydrophobicContact CG2-CD2 3.8Å; V65-L87 HydrophobicContact CG2-CG 4.02Å; N83-L87 HydrophobicContact CB-CD1 4.42Å; N83-L87 WeakPolarHBondContact O-CB 3.33Å; N83-L87 VanDerWaalsContact O-CG 3.31Å; N83-L87 WeakPolarHBondContact O-CG 3.34Å; N83-L87 PolarHBondContact O-N 2.85Å; L87-R89 PolarHBondContact O-N 3.43Å; L87-L90 PolarHBondContact O-N 2.6Å
88	R	44.9	Very low	43.8	Very low	107 Å²	107	64.9 Å²	64.9	40%	0.404	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.9	173.5	-80.4	177.7	172	-177	-4	114	D14 K84 T86	D14-R88 IonicContact OD1-CZ 2.92Å; D14-R88 IonicContact OD1-NH2 2.72Å; D14-R88 PolarHBondContact OD1-NH2 2.99Å; K84-R88 WeakPolarHBondContact O-CB 3.43Å; K84-R88 WeakPolarHBondContact O-CD 3.37Å; K84-R88 WeakPolarHBondContact O-CG 3.35Å; K84-R88 PolarHBondContact O-N 3.13Å; T86-R88 VanDerWaalsContact C-N 3.32Å; T86-R88 PolarHBondContact O-N 3.5Å
89	R	41.9	Very low	43.5	Very low	109 Å²	109	66.8 Å²	66.8	41%	0.411	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-11.4	176.8	-67.2	175.1	178.8	-135.6	-4.6	113.6	A85 T86 L87 R91 T94 S102	A85-R89 WeakPolarHBondContact O-CG 3.35Å; T86-R89 WeakPolarHBondContact O-CB 3.27Å; T86-R89 PolarHBondContact O-N 3.11Å; L87-R89 PolarHBondContact O-N 3.43Å; R89-R91 VanDerWaalsContact C-N 3.35Å; R89-T94 WeakPolarHBondContact O-CG2 3.15Å; R89-T94 PolarHBondContact O-OG1 3.06Å; R89-S102 WeakPolarHBondContact CB-OG 3.39Å; R89-S102 WeakPolarHBondContact CD-OG 3.37Å
90	L	40.6	Very low	43.4	Very low	23 Å²	23	69.8 Å²	69.8	12%	0.12	40%	0.402	C	S	.	.	S	Bend	trans	-96.9	16.3	-179.2	-67.9	175.2	0	0	0	112.4	Y54 P63 T86 L87 F99	Y54-L90 HydrophobicContact CD1-CD1 4.02Å; Y54-L90 HydrophobicContact CE1-CD1 4.32Å; P63-L90 HydrophobicContact CB-CB 3.69Å; P63-L90 HydrophobicContact CB-CD1 3.84Å; P63-L90 HydrophobicContact CB-CG 4.41Å; P63-L90 HydrophobicContact CG-CB 3.64Å; T86-L90 HydrophobicContact CG2-CD1 4.26Å; T86-L90 WeakPolarHBondContact O-CG 3.43Å; T86-L90 PolarHBondContact O-N 3.15Å; L87-L90 PolarHBondContact O-N 2.6Å; L90-F99 HydrophobicContact CD1-CE2 4.48Å; L90-F99 HydrophobicContact CD2-CD2 3.18Å; L90-F99 HydrophobicContact CD2-CE2 3.41Å; L90-F99 VanDerWaalsContact CD2-CE2 3.41Å; L90-F99 HydrophobicContact CD2-CG 4.19Å
91	R	41.2	Very low	43.6	Very low	127 Å²	127	70.1 Å²	70.1	48%	0.479	40%	0.404	S	S	.	.			trans	-58.7	145.3	177.2	-80.9	-176.4	177.2	-178.2	-1.8	110.9	R89 G93 T94	R89-R91 VanDerWaalsContact C-N 3.35Å; R91-G93 PolarHBondContact O-N 2.91Å; R91-T94 PolarHBondContact O-N 3.44Å; R91-T94 PolarHBondContact O-OG1 3.27Å
92	P	37.2	Very low	43.4	Very low	102 Å²	102	66.5 Å²	66.5	66%	0.662	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	128.1	171	-17.4	29.3	0	0	0	109.4
93	G	41.6	Very low	43.4	Very low	82 Å²	82	68.9 Å²	68.9	85%	0.845	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.6	-0.1	-173.4	0	0	0	0	0	115	R91	R91-G93 PolarHBondContact O-N 2.91Å
94	T	40.8	Very low	43.6	Very low	61 Å²	61	71.5 Å²	71.5	37%	0.374	41%	0.412	S	S	.	.	S	Bend	trans	-91.8	113.3	170.7	-22.5	0	0	0	0	108.7	R89 R91 N98	R89-T94 WeakPolarHBondContact O-CG2 3.15Å; R89-T94 PolarHBondContact O-OG1 3.06Å; R91-T94 PolarHBondContact O-N 3.44Å; R91-T94 PolarHBondContact O-OG1 3.27Å; T94-N98 HydrophobicContact CG2-CB 3.7Å
95	D	33.8	Very low	43.6	Very low	120 Å²	120	72.7 Å²	72.7	64%	0.642	42%	0.417	S	S	*	.			trans	-48.6	143.4	-178.2	-67.3	-42.4	0	0	0	112	A97 N98	D95-A97 PolarHBondContact O-N 3.44Å; D95-N98 WeakPolarHBondContact O-CB 3.41Å; D95-N98 PolarHBondContact O-N 3.44Å
96	S	38.5	Very low	43.8	Very low	108 Å²	108	70.3 Å²	70.3	76%	0.755	40%	0.397	S	S	*	.	H	α-helix	trans	-50.8	-25	-177.9	57.2	0	0	0	0	114.2	N98 F99	S96-N98 VanDerWaalsContact C-N 3.31Å; S96-N98 PolarHBondContact O-N 2.91Å; S96-F99 WeakPolarHBondContact O-CB 3.22Å; S96-F99 PolarHBondContact O-N 3.19Å
97	A	37.8	Very low	43.8	Very low	74 Å²	74	73.1 Å²	73.1	61%	0.612	41%	0.412	S	S	*	.	H	α-helix	trans	-61.8	-34.4	173	0	0	0	0	0	113.4	D95 F99	D95-A97 PolarHBondContact O-N 3.44Å; A97-F99 VanDerWaalsContact C-N 3.28Å; A97-F99 PolarHBondContact O-N 2.8Å
98	N	45.7	Very low	43.8	Very low	60 Å²	60	78.2 Å²	78.2	32%	0.321	44%	0.439	S	S	.	.	H	α-helix	trans	-76.1	-16.8	178.8	-69.3	-49.2	0	0	0	112.9	T94 D95 S96 S102	T94-N98 HydrophobicContact CG2-CB 3.7Å; D95-N98 WeakPolarHBondContact O-CB 3.41Å; D95-N98 PolarHBondContact O-N 3.44Å; S96-N98 VanDerWaalsContact C-N 3.31Å; S96-N98 PolarHBondContact O-N 2.91Å; N98-S102 WeakPolarHBondContact O-CB 3.31Å; N98-S102 PolarHBondContact O-N 3.18Å; N98-S102 PolarHBondContact O-OG 3.25Å
99	F	43	Very low	43.7	Very low	96 Å²	96	75.3 Å²	75.3	42%	0.421	43%	0.429	S	S	.	.	H	α-helix	trans	-68.6	-49.1	178.5	-172.4	-87.8	0	0	0	111	L90 S96 A97 E101 S102 K103	L90-F99 HydrophobicContact CD1-CE2 4.48Å; L90-F99 HydrophobicContact CD2-CD2 3.18Å; L90-F99 HydrophobicContact CD2-CE2 3.41Å; L90-F99 VanDerWaalsContact CD2-CE2 3.41Å; L90-F99 HydrophobicContact CD2-CG 4.19Å; S96-F99 WeakPolarHBondContact O-CB 3.22Å; S96-F99 PolarHBondContact O-N 3.19Å; A97-F99 VanDerWaalsContact C-N 3.28Å; A97-F99 PolarHBondContact O-N 2.8Å; F99-E101 PolarHBondContact O-N 2.87Å; F99-S102 PolarHBondContact O-N 3Å; F99-K103 HydrophobicContact CE1-CD 4.43Å; F99-K103 VanDerWaalsContact O-CB 3.26Å; F99-K103 WeakPolarHBondContact O-CB 3.33Å; F99-K103 PolarHBondContact O-N 2.68Å
100	S	46	Very low	43.6	Very low	84 Å²	84	71.6 Å²	71.6	59%	0.587	42%	0.418	S	S	*	.	H	α-helix	trans	-62.7	-40.9	-179.8	-62.6	0	0	0	0	112.1	A104	S100-A104 WeakPolarHBondContact O-CB 3.29Å; S100-A104 PolarHBondContact O-N 3.12Å
101	E	51.5	Low	43.4	Very low	93 Å²	93	74.3 Å²	74.3	44%	0.435	44%	0.439	S	S	.	.	H	α-helix	trans	-69.5	-40.3	176.8	-164.2	-165.6	153.7	0	0	112	F99 A104 K105	F99-E101 PolarHBondContact O-N 2.87Å; E101-A104 PolarHBondContact O-N 2.74Å; E101-K105 HydrophobicContact CG-CD 4.47Å; E101-K105 WeakPolarHBondContact O-CB 3.43Å; E101-K105 WeakPolarHBondContact O-CG 3.4Å; E101-K105 PolarHBondContact O-N 3.17Å; E101-K105 WeakPolarHBondContact OE1-CE 3.44Å; E101-K105 IonicContact OE1-NZ 2.6Å; E101-K105 PolarHBondContact OE1-NZ 2.94Å
102	S	45.4	Very low	43.3	Very low	5 Å²	5	70.8 Å²	70.8	4%	0.035	43%	0.431	C	S	.	.	H	α-helix	trans	-68.2	-38.4	177.6	-60.9	0	0	0	0	111.8	R89 N98 F99 K105 A106	R89-S102 WeakPolarHBondContact CB-OG 3.39Å; R89-S102 WeakPolarHBondContact CD-OG 3.37Å; N98-S102 WeakPolarHBondContact O-CB 3.31Å; N98-S102 PolarHBondContact O-N 3.18Å; N98-S102 PolarHBondContact O-OG 3.25Å; F99-S102 PolarHBondContact O-N 3Å; S102-K105 PolarHBondContact O-N 2.83Å; S102-A106 WeakPolarHBondContact O-CB 3.3Å; S102-A106 PolarHBondContact O-N 3.45Å
103	K	47.9	Very low	43.1	Very low	57 Å²	57	69.9 Å²	69.9	25%	0.248	43%	0.425	C	S	.	.	H	α-helix	trans	-61.1	-51.3	171	-176.9	-177.2	176.7	-172.2	0	110.6	Y54 F99 K105 A106 D107	Y54-K103 HydrophobicContact CE2-CG 4.46Å; F99-K103 HydrophobicContact CE1-CD 4.43Å; F99-K103 VanDerWaalsContact O-CB 3.26Å; F99-K103 WeakPolarHBondContact O-CB 3.33Å; F99-K103 PolarHBondContact O-N 2.68Å; K103-K105 VanDerWaalsContact C-N 3.32Å; K103-K105 PolarHBondContact O-N 3.4Å; K103-A106 WeakPolarHBondContact O-CB 3.15Å; K103-A106 PolarHBondContact O-N 2.83Å; K103-A106 VanDerWaalsContact O-N 3.11Å; K103-D107 WeakPolarHBondContact O-CB 3.38Å; K103-D107 VanDerWaalsContact O-CG 3.24Å; K103-D107 PolarHBondContact O-N 3.05Å
104	A	52.9	Low	42.7	Very low	57 Å²	57	71.8 Å²	71.8	47%	0.471	42%	0.421	S	S	.	.	H	α-helix	trans	-59.1	-40.7	178.3	0	0	0	0	0	112.6	S100 E101 D107 N108	S100-A104 WeakPolarHBondContact O-CB 3.29Å; S100-A104 PolarHBondContact O-N 3.12Å; E101-A104 PolarHBondContact O-N 2.74Å; A104-D107 PolarHBondContact O-N 3.43Å; A104-N108 WeakPolarHBondContact O-CB 3.47Å; A104-N108 PolarHBondContact O-N 3.36Å
105	K	50.2	Low	42.2	Very low	98 Å²	98	76 Å²	76	43%	0.426	44%	0.436	S	S	.	.	H	α-helix	trans	-65.7	-38.4	175.6	-80.5	173.6	172.7	168.7	0	112.7	E101 S102 K103 F109	E101-K105 HydrophobicContact CG-CD 4.47Å; E101-K105 WeakPolarHBondContact O-CB 3.43Å; E101-K105 WeakPolarHBondContact O-CG 3.4Å; E101-K105 PolarHBondContact O-N 3.17Å; E101-K105 WeakPolarHBondContact OE1-CE 3.44Å; E101-K105 IonicContact OE1-NZ 2.6Å; E101-K105 PolarHBondContact OE1-NZ 2.94Å; S102-K105 PolarHBondContact O-N 2.83Å; K103-K105 VanDerWaalsContact C-N 3.32Å; K103-K105 PolarHBondContact O-N 3.4Å; K105-F109 WeakPolarHBondContact O-CB 3.41Å; K105-F109 PolarHBondContact O-N 2.85Å; K105-F109 VanDerWaalsContact O-N 3.09Å
106	A	47.2	Very low	42	Very low	4 Å²	4	72.6 Å²	72.6	3%	0.033	42%	0.418	C	S	.	.	H	α-helix	trans	-67.4	-48.8	175	0	0	0	0	0	110.9	Y54 T86 S102 K103 N108 F109 L110	Y54-A106 WeakPolarHBondContact OH-CB 3.28Å; T86-A106 HydrophobicContact CG2-CB 3.72Å; T86-A106 VanDerWaalsContact OG1-CB 3.3Å; T86-A106 WeakPolarHBondContact OG1-CB 3.16Å; S102-A106 WeakPolarHBondContact O-CB 3.3Å; S102-A106 PolarHBondContact O-N 3.45Å; K103-A106 WeakPolarHBondContact O-CB 3.15Å; K103-A106 PolarHBondContact O-N 2.83Å; K103-A106 VanDerWaalsContact O-N 3.11Å; A106-N108 VanDerWaalsContact C-N 3.26Å; A106-N108 PolarHBondContact O-N 2.81Å; A106-F109 WeakPolarHBondContact O-CB 3.45Å; A106-F109 PolarHBondContact O-N 3.43Å; A106-F109 VanDerWaalsContact O-N 3.1Å; A106-L110 WeakPolarHBondContact O-CD1 3.34Å; A106-L110 WeakPolarHBondContact O-CG 2.82Å; A106-L110 PolarHBondContact O-N 3.34Å
107	D	45.8	Very low	41.5	Very low	68 Å²	68	76.5 Å²	76.5	36%	0.364	42%	0.424	S	S	.	.	H	α-helix	trans	-55.3	-42.6	176	-67.5	-20	0	0	0	111.3	K103 A104 L110 S111	K103-D107 WeakPolarHBondContact O-CB 3.38Å; K103-D107 VanDerWaalsContact O-CG 3.24Å; K103-D107 PolarHBondContact O-N 3.05Å; A104-D107 PolarHBondContact O-N 3.43Å; D107-L110 PolarHBondContact O-N 3.5Å; D107-S111 WeakPolarHBondContact O-CB 3.34Å; D107-S111 PolarHBondContact O-N 3.14Å; D107-S111 PolarHBondContact O-OG 3.09Å
108	N	46.5	Very low	40.9	Very low	107 Å²	107	82.3 Å²	82.3	57%	0.572	44%	0.436	S	S	*	.	H	α-helix	trans	-63.9	-45.6	177.3	-136.2	0.4	0	0	0	111.7	A104 A106 L110 S111 T112	A104-N108 WeakPolarHBondContact O-CB 3.47Å; A104-N108 PolarHBondContact O-N 3.36Å; A106-N108 VanDerWaalsContact C-N 3.26Å; A106-N108 PolarHBondContact O-N 2.81Å; N108-L110 VanDerWaalsContact C-N 3.29Å; N108-L110 PolarHBondContact O-N 3.17Å; N108-S111 PolarHBondContact O-N 2.84Å; N108-S111 VanDerWaalsContact O-N 3.16Å; N108-S111 PolarHBondContact O-OG 3.33Å; N108-T112 PolarHBondContact O-N 3.36Å; N108-T112 PolarHBondContact O-OG1 2.76Å
109	F	41.8	Very low	40	Very low	46 Å²	46	85 Å²	85	20%	0.202	45%	0.449	C	S	.	.	H	α-helix	trans	-61.1	-36.5	177.2	-178.5	-88.4	0	0	0	112.8	N78 K105 A106 L116 I119	N78-F109 VanDerWaalsContact O-CE1 3.27Å; N78-F109 WeakPolarHBondContact O-CE1 3.4Å; K105-F109 WeakPolarHBondContact O-CB 3.41Å; K105-F109 PolarHBondContact O-N 2.85Å; K105-F109 VanDerWaalsContact O-N 3.09Å; A106-F109 WeakPolarHBondContact O-CB 3.45Å; A106-F109 PolarHBondContact O-N 3.43Å; A106-F109 VanDerWaalsContact O-N 3.1Å; F109-L116 HydrophobicContact CE1-CD1 4.37Å; F109-L116 HydrophobicContact CE2-CD1 4.09Å; F109-L116 HydrophobicContact CE2-CD2 3.74Å; F109-L116 HydrophobicContact CE2-CG 3.75Å; F109-L116 HydrophobicContact CZ-CD1 3.58Å; F109-L116 HydrophobicContact CZ-CD2 3.73Å; F109-L116 HydrophobicContact CZ-CG 3.75Å; F109-I119 HydrophobicContact CE2-CD1 4.3Å
110	L	39.9	Very low	39.1	Very low	32 Å²	32	90.7 Å²	90.7	17%	0.168	47%	0.467	C	S	.	.	H	α-helix	trans	-72.6	-30.7	177.8	-60	163.3	0	0	0	112	V52 F79 A106 D107 N108	V52-L110 HydrophobicContact CB-CD1 3.68Å; V52-L110 HydrophobicContact CG1-CD1 4.37Å; V52-L110 HydrophobicContact CG2-CD1 3.35Å; V52-L110 HydrophobicContact CG2-CD2 3.83Å; V52-L110 HydrophobicContact CG2-CG 4.24Å; F79-L110 HydrophobicContact CD1-CD2 3.21Å; F79-L110 HydrophobicContact CE1-CD2 3.25Å; A106-L110 WeakPolarHBondContact O-CD1 3.34Å; A106-L110 WeakPolarHBondContact O-CG 2.82Å; A106-L110 PolarHBondContact O-N 3.34Å; D107-L110 PolarHBondContact O-N 3.5Å; N108-L110 VanDerWaalsContact C-N 3.29Å; N108-L110 PolarHBondContact O-N 3.17Å
111	S	36.2	Very low	38	Very low	80 Å²	80	92.4 Å²	92.4	56%	0.559	48%	0.478	S	S	*	.	H	α-helix	trans	-80.2	-24.5	177.8	73.9	0	0	0	0	114	D107 N108 P113	D107-S111 WeakPolarHBondContact O-CB 3.34Å; D107-S111 PolarHBondContact O-N 3.14Å; D107-S111 PolarHBondContact O-OG 3.09Å; N108-S111 PolarHBondContact O-N 2.84Å; N108-S111 VanDerWaalsContact O-N 3.16Å; N108-S111 PolarHBondContact O-OG 3.33Å; S111-P113 WeakPolarHBondContact O-CD 3.49Å
112	T	39.5	Very low	36.9	Very low	53 Å²	53	94 Å²	94	33%	0.325	49%	0.494	S	S	.	.			trans	-122.6	78.3	179.2	55.7	0	0	0	0	112.1	N108 T114	N108-T112 PolarHBondContact O-N 3.36Å; N108-T112 PolarHBondContact O-OG1 2.76Å; T112-T114 PolarHBondContact O-N 3.18Å
113	P	33.2	Very low	36	Very low	82 Å²	82	96.3 Å²	96.3	53%	0.532	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-64	-11.6	-178	22.9	-32	0	0	0	114.4	S111	S111-P113 WeakPolarHBondContact O-CD 3.49Å
114	T	32.8	Very low	34.9	Very low	123 Å²	123	104.7 Å²	104.7	76%	0.755	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-90	-4.8	-170.8	30.1	0	0	0	0	115.8	T112	T112-T114 PolarHBondContact O-N 3.18Å
115	Q	31	Very low	33.6	Very low	150 Å²	150	107.8 Å²	107.8	70%	0.701	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-89.3	2	179.3	-68.2	-162.5	6.4	0	0	115.2	Q117	Q115-Q117 PolarHBondContact O-N 2.93Å
116	L	29.5	Very low	32.5	Very low	48 Å²	48	108.2 Å²	108.2	25%	0.251	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.5	0.8	-177.8	-91.5	162.4	0	0	0	115.6	N78 F109 K118 I119	N78-L116 HydrophobicContact CB-CD1 3.77Å; N78-L116 WeakPolarHBondContact OD1-CD1 3.22Å; F109-L116 HydrophobicContact CE1-CD1 4.37Å; F109-L116 HydrophobicContact CE2-CD1 4.09Å; F109-L116 HydrophobicContact CE2-CD2 3.74Å; F109-L116 HydrophobicContact CE2-CG 3.75Å; F109-L116 HydrophobicContact CZ-CD1 3.58Å; F109-L116 HydrophobicContact CZ-CD2 3.73Å; F109-L116 HydrophobicContact CZ-CG 3.75Å; L116-K118 VanDerWaalsContact C-N 3.33Å; L116-K118 PolarHBondContact O-N 2.87Å; L116-I119 HydrophobicContact CD2-CD1 4.41Å
117	Q	26.9	Very low	31.5	Very low	189 Å²	189	116 Å²	116	88%	0.883	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-1.6	177.8	-75.2	-171.2	-11.3	0	0	115.2	Q115	Q115-Q117 PolarHBondContact O-N 2.93Å
118	K	25.6	Very low	30.6	Very low	197 Å²	197	118.8 Å²	118.8	86%	0.857	64%	0.636	S	S	*	*	S	Bend	trans	-136.7	10.7	-179.5	-89.7	-175.1	-179.2	176.5	0	116.9	L116 R120	L116-K118 VanDerWaalsContact C-N 3.33Å; L116-K118 PolarHBondContact O-N 2.87Å; K118-R120 PolarHBondContact O-N 3.11Å
119	I	27.1	Very low	29.8	Very low	116 Å²	116	118.7 Å²	118.7	60%	0.595	64%	0.644	S	S	*	*			trans	-80.3	74.8	164.9	-50.5	179.2	0	0	0	107.2	F109 L116 C121	F109-I119 HydrophobicContact CE2-CD1 4.3Å; L116-I119 HydrophobicContact CD2-CD1 4.41Å; I119-C121 PolarHBondContact O-N 3.45Å
120	R	23.5	Very low	29.1	Very low	216 Å²	216	123.2 Å²	123.2	82%	0.815	68%	0.675	S	S	*	*			trans	-51.1	112	156.7	-135.8	178.1	-167.3	-175.4	2.8	103.5	K118 T122	K118-R120 PolarHBondContact O-N 3.11Å; R120-T122 PolarHBondContact O-N 3.23Å
121	C	24.4	Very low	28.8	Very low	119 Å²	119	133.2 Å²	133.2	80%	0.804	71%	0.711	S	S	*	*			trans	-54.1	89.9	152.4	-70	0	0	0	0	104.2	I119 G123	I119-C121 PolarHBondContact O-N 3.45Å; C121-G123 PolarHBondContact O-N 3.28Å
122	T	27.4	Very low	28.4	Very low	126 Å²	126	132.7 Å²	132.7	77%	0.773	72%	0.718	S	S	*	*			trans	-61.3	85.2	156.8	43.8	0	0	0	0	102.6	R120 R124	R120-T122 PolarHBondContact O-N 3.23Å; T122-R124 PolarHBondContact O-N 3.27Å
123	G	26.6	Very low	27.9	Very low	55 Å²	55	136.8 Å²	136.8	57%	0.567	74%	0.738	S	S	*	*			trans	-47.5	130.3	175.3	0	0	0	0	0	105.4	C121 T125	C121-G123 PolarHBondContact O-N 3.28Å; G123-T125 VanDerWaalsContact C-N 3.31Å; G123-T125 PolarHBondContact O-N 2.88Å
124	R	25.3	Very low	27.7	Very low	232 Å²	232	141 Å²	141	88%	0.875	75%	0.751	S	S	*	*			trans	-40.2	111.2	155.6	-85.4	176.9	164.3	161	-7.2	106	T122	T122-R124 PolarHBondContact O-N 3.27Å
125	T	24.9	Very low	27.5	Very low	123 Å²	123	138.8 Å²	138.8	76%	0.755	75%	0.751	S	S	*	*			trans	-39.4	125.5	158.5	31.8	0	0	0	0	106.3	G123 D127	G123-T125 VanDerWaalsContact C-N 3.31Å; G123-T125 PolarHBondContact O-N 2.88Å; T125-D127 PolarHBondContact O-N 2.97Å; T125-D127 VanDerWaalsContact O-N 3.16Å
126	P	27.7	Very low	27.3	Very low	106 Å²	106	136.8 Å²	136.8	69%	0.688	76%	0.761	S	S	*	*			trans	-54.4	130	171.9	19.1	-21.8	0	0	0	105.9	T128	P126-T128 PolarHBondContact O-N 2.74Å
127	D	25.7	Very low	27.2	Very low	168 Å²	168	146.1 Å²	146.1	90%	0.898	79%	0.793	S	S	*	*			trans	-55.5	91.5	166.7	-100	-36.6	0	0	0	106.6	T125 S129	T125-D127 PolarHBondContact O-N 2.97Å; T125-D127 VanDerWaalsContact O-N 3.16Å; D127-S129 PolarHBondContact O-N 3.4Å
128	T	28.2	Very low	27.1	Very low	126 Å²	126	141.2 Å²	141.2	77%	0.773	79%	0.785	S	S	*	*			trans	-70.3	92.5	164.9	34.5	0	0	0	0	105.3	P126 T130	P126-T128 PolarHBondContact O-N 2.74Å; T128-T130 PolarHBondContact O-N 3.01Å
129	S	28.8	Very low	27.3	Very low	106 Å²	106	138.7 Å²	138.7	74%	0.741	79%	0.786	S	S	*	*			trans	-41.5	124.4	158.4	51.9	0	0	0	0	109.2	D127 R131	D127-S129 PolarHBondContact O-N 3.4Å; S129-R131 PolarHBondContact O-N 3.18Å
130	T	26.7	Very low	27.2	Very low	141 Å²	141	140.7 Å²	140.7	87%	0.865	80%	0.796	S	S	*	*			trans	-48.4	99.3	166.3	40.3	0	0	0	0	110.9	T128	T128-T130 PolarHBondContact O-N 3.01Å
131	R	33.1	Very low	27.3	Very low	241 Å²	241	134.1 Å²	134.1	91%	0.909	80%	0.796	S	S	*	*			trans	-141.2	116.2	149.3	-88	-168.2	177.1	177.6	-0.9	108.3	S129	S129-R131 PolarHBondContact O-N 3.18Å
132	G	28.5	Very low	27.3	Very low	70 Å²	70	134.4 Å²	134.4	72%	0.722	79%	0.794	S	S	*	*			trans	-68.5	173.7	-172.3	0	0	0	0	0	114.5
133	N	28.2	Very low	27.2	Very low	139 Å²	139	133.3 Å²	133.3	74%	0.743	79%	0.792	S	S	*	*			trans	80.9	111.5	146.6	-78.2	3.2	0	0	0	119.1
134	H	30.6	Very low	27.1	Very low	171 Å²	171	140.3 Å²	140.3	79%	0.792	81%	0.807	S	S	*	*			trans	81.2	100.3	140.8	-56	-48.1	0	0	0	118.2
135	G	27.5	Very low	27	Very low	75 Å²	75	133.7 Å²	133.7	77%	0.773	80%	0.796	S	S	*	*				105.6	115.4	112.3	0	0	0	0	0	116.9
136	A	28.1	Very low	26.9	Very low	109 Å²	109	133.8 Å²	133.8	90%	0.901	80%	0.796	S	S	*	*			trans	70.8	149.6	153.3	0	0	0	0	0	117.4
137	R	26.4	Very low	26.7	Very low	243 Å²	243	138.1 Å²	138.1	92%	0.917	81%	0.807	S	S	*	*			cis	-168.4	141.8	-23.8	175.9	171.3	176.9	176.2	-0.6	102.9
138	A	25.2	Very low	26.5	Very low	87 Å²	87	135.6 Å²	135.6	72%	0.719	80%	0.802	S	S	*	*			trans	-56.6	151.1	-172.4	0	0	0	0	0	115.9
139	T	28.9	Very low	26.4	Very low	144 Å²	144	134.7 Å²	134.7	88%	0.883	81%	0.807	S	S	*	*			trans	-153.7	123.5	138.1	-38	0	0	0	0	111.1
140	I	25	Very low	26.2	Very low	157 Å²	157	140.3 Å²	140.3	81%	0.805	81%	0.812	S	S	*	*			trans	-79.7	132.4	170.1	-66.9	166.2	0	0	0	107.6
141	G	26.5	Very low	26.2	Very low	79 Å²	79	140.8 Å²	140.8	81%	0.814	81%	0.809	S	S	*	*			trans	-134.4	98	173.7	0	0	0	0	0	111.3
142	T	24	Very low	25.8	Very low	125 Å²	125	134.6 Å²	134.6	77%	0.767	80%	0.8	S	S	*	*			trans	-75.7	136.5	166.6	44.9	0	0	0	0	111.1
143	S	25.6	Very low	25.6	Very low	102 Å²	102	138.9 Å²	138.9	71%	0.713	81%	0.805	S	S	*	*			trans	161.8	131.7	133.6	58.7	0	0	0	0	114.5
144	K	24.5	Very low	25.5	Very low	203 Å²	203	137.7 Å²	137.7	88%	0.883	81%	0.807	S	S	*	*			trans	60.5	151.1	142.7	-63.5	174	-178.2	-178.3	0	118.3
145	S	22.6	Very low	25.1	Very low	93 Å²	93	137.2 Å²	137.2	65%	0.65	80%	0.803	S	S	*	*			cis	-179.3	149.5	-15.5	62.1	0	0	0	0	104.9
146	T	22.7	Very low	25	Very low	125 Å²	125	142.4 Å²	142.4	77%	0.767	81%	0.807	S	S	*	*			trans	50.5	116.1	150	7.4	0	0	0	0	119.9
147	E	24.4	Very low	24.8	Very low	196 Å²	196	142.2 Å²	142.2	92%	0.916	81%	0.806	S	S	*	*			trans	-155.3	114.7	130.4	-121.1	169.1	-170.4	0	0	112.4
148	C	22	Very low	24.7	Very low	116 Å²	116	136.7 Å²	136.7	78%	0.784	79%	0.794	S	S	*	*			trans	-74.8	136.5	158.6	-68.2	0	0	0	0	108.8
149	A	25.9	Very low	24.5	Very low	107 Å²	107	138.5 Å²	138.5	88%	0.884	80%	0.799	S	S	*	*			trans	-119.6	103.4	156.7	0	0	0	0	0	109.2
150	R	23.9	Very low	24.2	Very low	224 Å²	224	139.6 Å²	139.6	85%	0.845	79%	0.794	S	S	*	*			trans	-71.3	151.1	163.1	-67.8	174.3	174.4	172.6	-1.1	109.4
151	N	26.2	Very low	24.1	Very low	151 Å²	151	137.2 Å²	137.2	81%	0.807	79%	0.791	S	S	*	*				165.4	162	126.5	-89	-9.7	0	0	0	111.9
152	P	25.8	Very low	23.9	Very low	111 Å²	111	143.4 Å²	143.4	72%	0.721	80%	0.796	S	S	*	*				-133.1	177.6	-75.4	28.5	-4.5	0	0	0	112	S154	P152-S154 PolarHBondContact O-N 3.18Å
153	I	24	Very low	23.9	Very low	159 Å²	159	143.5 Å²	143.5	82%	0.815	80%	0.796	S	S	*	*			trans	-48.1	123.5	172.9	-60.1	158.5	0	0	0	111.9
154	S	26	Very low	23.6	Very low	114 Å²	114	149.4 Å²	149.4	80%	0.797	80%	0.802	S	S	*	*			trans	-121.5	89.3	159.3	174	0	0	0	0	106.3	P152	P152-S154 PolarHBondContact O-N 3.18Å
155	K	22.8	Very low	23.6	Very low	161 Å²	161	147 Å²	147	70%	0.7	80%	0.797	S	S	*	*				34.8	115.9	99.9	-74	-172.4	178.8	179.9	0	113.3
156	H	24.3	Very low	23.6	Very low	184 Å²	184	147.7 Å²	147.7	85%	0.852	80%	0.8	S	S	*	*			trans	96	90.3	167	-50.8	-64.3	0	0	0	117.6
157	A	24.7	Very low	23.5	Very low	106 Å²	106	148.2 Å²	148.2	88%	0.876	81%	0.807	S	S	*	*			trans	-160.8	76	132	0	0	0	0	0	110.2
158	N	23	Very low	23.4	Very low	127 Å²	127	143.2 Å²	143.2	68%	0.679	80%	0.799	S	S	*	*			trans	23.6	112.8	152	-141.4	-0.7	0	0	0	120.2	Q160	N158-Q160 PolarHBondContact O-N 3.28Å
159	P	22.9	Very low	23.5	Very low	125 Å²	125	143.2 Å²	143.2	81%	0.812	80%	0.798	S	S	*	*			trans	-90.6	74.8	172.3	36.7	-29.4	0	0	0	110.1
160	Q	22.3	Very low	23.4	Very low	167 Å²	167	146.3 Å²	146.3	78%	0.78	80%	0.798	S	S	*	*			trans	-146.9	96.8	173.6	-68.9	-166.6	-4	0	0	111.5	N158	N158-Q160 PolarHBondContact O-N 3.28Å
161	S	22.8	Very low	23.4	Very low	107 Å²	107	138.3 Å²	138.3	75%	0.748	79%	0.785	S	S	*	*			trans	-153.8	101.3	149.6	-178	0	0	0	0	109.4	V163	S161-V163 PolarHBondContact O-N 3.4Å
162	K	22.4	Very low	23.4	Very low	209 Å²	209	139.6 Å²	139.6	91%	0.909	78%	0.784	S	S	*	*			trans	-68.4	109.5	167.5	-67.3	169.8	175.9	174.1	0	107.2
163	V	22.7	Very low	23.4	Very low	127 Å²	127	141.7 Å²	141.7	77%	0.77	79%	0.788	S	S	*	*			trans	-124.1	102.2	159.5	-174.9	0	0	0	0	107.5	S161	S161-V163 PolarHBondContact O-N 3.4Å
164	R	20	Very low	23.4	Very low	226 Å²	226	145.2 Å²	145.2	85%	0.853	79%	0.791	S	S	*	*			trans	-82.3	156.3	167.5	-85.7	-177.4	168.4	-177	-3	108.7
165	I	23.6	Very low	23.4	Very low	152 Å²	152	145.5 Å²	145.5	78%	0.779	79%	0.792	S	S	*	*			trans	72.8	153.9	159.6	-14.2	179	0	0	0	115.6
166	P	22.5	Very low	23.6	Very low	108 Å²	108	147.5 Å²	147.5	70%	0.701	80%	0.801	S	S	*	*			cis	-126.9	165.3	-17.4	11.4	14.4	0	0	0	114.8	A168	P166-A168 PolarHBondContact O-N 3.27Å
167	C	22.2	Very low	23.7	Very low	136 Å²	136	146.5 Å²	146.5	92%	0.919	80%	0.801	S	S	*	*			trans	-50.8	127.5	159.8	-59.3	0	0	0	0	111.2
168	A	22.6	Very low	23.7	Very low	90 Å²	90	146.8 Å²	146.8	74%	0.744	80%	0.797	S	S	*	*			trans	-154.9	145.8	165.4	0	0	0	0	0	112.4	P166	P166-A168 PolarHBondContact O-N 3.27Å
169	P	23.8	Very low	23.9	Very low	117 Å²	117	149.1 Å²	149.1	76%	0.76	80%	0.804	S	S	*	*			trans	-87.7	153.8	-163	36	-34.8	0	0	0	114.1
170	L	23.6	Very low	24	Very low	172 Å²	172	150.8 Å²	150.8	90%	0.901	81%	0.806	S	S	*	*			trans	27.7	98.3	150	-63.4	164.5	0	0	0	117.3
171	G	24.2	Very low	24.2	Very low	55 Å²	55	151.6 Å²	151.6	57%	0.567	81%	0.814	S	S	*	*			trans	-134.3	118.4	174.9	0	0	0	0	0	113.4	Q214	G171-Q214 PolarHBondContact O-OE1 2.54Å
172	K	24.6	Very low	24.2	Very low	178 Å²	178	150 Å²	150	77%	0.774	81%	0.807	S	S	*	*			trans	-72.5	129.8	177.9	-64.7	174.3	179.5	175.3	0	111.3
173	L	26.6	Very low	24.4	Very low	155 Å²	155	145.4 Å²	145.4	81%	0.812	81%	0.808	S	S	*	*			trans	-87	125.1	165.3	-76.2	161.1	0	0	0	109.8
174	R	23.4	Very low	24.5	Very low	234 Å²	234	146.2 Å²	146.2	88%	0.883	81%	0.808	S	S	*	*			trans	-106.2	132.7	172.5	-72	-170.7	177.7	-158.7	1.1	109.7
175	C	26.9	Very low	24.9	Very low	120 Å²	120	146.1 Å²	146.1	81%	0.811	81%	0.808	S	S	*	*			trans	-75.8	130	162.7	-84.5	0	0	0	0	109.7
176	K	27	Very low	25	Very low	203 Å²	203	144 Å²	144	88%	0.883	81%	0.805	S	S	*	*			trans	-106.8	81.3	-179.6	-163	-173	-171.2	-173	0	107.7
177	D	25.9	Very low	25.2	Very low	162 Å²	162	144.1 Å²	144.1	87%	0.866	81%	0.808	S	S	*	*			trans	175.5	98	151.6	-100.8	-23.4	0	0	0	109
178	S	25.1	Very low	25.5	Very low	113 Å²	113	143 Å²	143	79%	0.79	79%	0.792	S	S	*	*			trans	-116.6	27.1	-174.1	62.5	0	0	0	0	113
179	Q	26.5	Very low	25.9	Very low	175 Å²	175	147 Å²	147	82%	0.818	79%	0.794	S	S	*	*	S	Bend	trans	-133.5	3.9	-173.4	-70.7	-166	-11.9	0	0	117.5
180	N	26.2	Very low	26.2	Very low	160 Å²	160	145.6 Å²	145.6	86%	0.856	78%	0.782	S	S	*	*			trans	-146.2	87.5	174.2	-93.6	-35.7	0	0	0	112.1	A182	N180-A182 VanDerWaalsContact C-N 3.27Å; N180-A182 PolarHBondContact O-N 2.91Å; N180-A182 VanDerWaalsContact O-N 3.1Å
181	I	25.9	Very low	26.5	Very low	185 Å²	185	143.4 Å²	143.4	95%	0.949	77%	0.767	S	S	*	*			trans	-85.6	72.3	174.9	-50	174.4	0	0	0	108.4
182	A	23.2	Very low	26.7	Very low	74 Å²	74	146.7 Å²	146.7	61%	0.612	77%	0.771	S	S	*	*	S	Bend	trans	-112	154.1	158	0	0	0	0	0	107.5	N180 N184	N180-A182 VanDerWaalsContact C-N 3.27Å; N180-A182 PolarHBondContact O-N 2.91Å; N180-A182 VanDerWaalsContact O-N 3.1Å; A182-N184 PolarHBondContact O-N 2.65Å
183	A	26.9	Very low	27	Very low	112 Å²	112	146.9 Å²	146.9	93%	0.926	78%	0.781	S	S	*	*	S	Bend	trans	-68.6	66.1	-174.2	0	0	0	0	0	113
184	N	24.4	Very low	27.1	Very low	144 Å²	144	142.9 Å²	142.9	77%	0.77	78%	0.777	S	S	*	*			trans	-105	138.3	172.6	-98.5	-22.8	0	0	0	110.3	A182 C186	A182-N184 PolarHBondContact O-N 2.65Å; N184-C186 PolarHBondContact O-N 3.18Å; N184-C186 VanDerWaalsContact O-N 3.12Å
185	R	27.2	Very low	27.5	Very low	224 Å²	224	134.8 Å²	134.8	85%	0.845	77%	0.767	S	S	*	*			trans	-53.2	112.8	-176.8	-63.2	177.6	-179.8	-179.6	-2.5	109.8	S187	R185-S187 PolarHBondContact O-N 3.04Å
186	C	25.5	Very low	27.6	Very low	108 Å²	108	136.9 Å²	136.9	73%	0.73	77%	0.765	S	S	*	*			trans	-68.2	99.5	169.9	-83	0	0	0	0	109.2	N184 L188	N184-C186 PolarHBondContact O-N 3.18Å; N184-C186 VanDerWaalsContact O-N 3.12Å; C186-L188 VanDerWaalsContact C-N 3.3Å; C186-L188 PolarHBondContact O-N 3.27Å
187	S	27.6	Very low	27.8	Very low	109 Å²	109	131.4 Å²	131.4	76%	0.762	75%	0.748	S	S	*	*			trans	-71.1	86.6	162.5	39.9	0	0	0	0	109	R185 K189	R185-S187 PolarHBondContact O-N 3.04Å; S187-K189 PolarHBondContact O-N 2.76Å
188	L	28.3	Very low	28	Very low	112 Å²	112	130.1 Å²	130.1	59%	0.586	74%	0.735	S	S	*	*			trans	-69.7	91.6	173.5	-92.7	157.6	0	0	0	109.7	C186 V190	C186-L188 VanDerWaalsContact C-N 3.3Å; C186-L188 PolarHBondContact O-N 3.27Å; L188-V190 PolarHBondContact O-N 2.92Å
189	K	31.5	Very low	28.2	Very low	176 Å²	176	129.9 Å²	129.9	77%	0.765	73%	0.731	S	S	*	*			trans	-70.8	102.8	159.5	-75.8	-176.1	177.1	-178.1	0	108.1	S187	S187-K189 PolarHBondContact O-N 2.76Å
190	V	30.5	Very low	28.4	Very low	86 Å²	86	129.3 Å²	129.3	52%	0.521	73%	0.734	S	S	.	*			trans	-91.5	102.1	171	-176.7	0	0	0	0	107.7	L188	L188-V190 PolarHBondContact O-N 2.92Å
191	E	28	Very low	28.7	Very low	126 Å²	126	126 Å²	126	59%	0.589	71%	0.713	S	S	*	*			trans	-87.4	113.4	169.4	-73.1	-178.1	177.7	0	0	109
192	L	29.7	Very low	28.9	Very low	125 Å²	125	125.2 Å²	125.2	65%	0.654	71%	0.705	S	S	*	*			trans	-79.9	137.3	161.5	-77.6	157.5	0	0	0	107.6	G194	L192-G194 PolarHBondContact O-N 2.72Å
193	N	30	Very low	29.3	Very low	181 Å²	181	127.3 Å²	127.3	97%	0.968	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-38.9	112.5	173.4	-83.3	-21.8	0	0	0	110.9
194	G	29.5	Very low	29.7	Very low	72 Å²	72	128.6 Å²	128.6	74%	0.742	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	135.7	2.1	-176.4	0	0	0	0	0	116.7	L192 Q196	L192-G194 PolarHBondContact O-N 2.72Å; G194-Q196 PolarHBondContact O-N 2.87Å; G194-Q196 VanDerWaalsContact O-N 3.11Å
195	G	31.1	Very low	29.9	Very low	64 Å²	64	124.8 Å²	124.8	66%	0.66	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.9	8.7	169	0	0	0	0	0	115.8	T197	G195-T197 PolarHBondContact O-N 3.38Å
196	Q	29.6	Very low	30.1	Very low	164 Å²	164	115.4 Å²	115.4	77%	0.766	64%	0.643	S	S	*	*			trans	-84.4	97.8	171.6	-76.3	-169.6	-5.2	0	0	110.1	G194	G194-Q196 PolarHBondContact O-N 2.87Å; G194-Q196 VanDerWaalsContact O-N 3.11Å
197	T	30.9	Very low	30.3	Very low	87 Å²	87	114.2 Å²	114.2	53%	0.534	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-68.8	122.1	164.9	36.6	0	0	0	0	109.9	G195 P199	G195-T197 PolarHBondContact O-N 3.38Å; T197-P199 WeakPolarHBondContact O-CD 3.2Å
198	F	30.2	Very low	30.4	Very low	135 Å²	135	111.3 Å²	111.3	59%	0.592	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-66.4	119.6	161.9	-76.8	-81.2	0	0	0	108.4	N200 Q201	F198-N200 PolarHBondContact O-N 3.05Å; F198-Q201 HydrophobicContact CB-CG 4.49Å
199	P	29.4	Very low	30.5	Very low	108 Å²	108	109.2 Å²	109.2	70%	0.701	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-66.3	120.6	176.3	26.7	-30.6	0	0	0	108.4	T197 Q201	T197-P199 WeakPolarHBondContact O-CD 3.2Å; P199-Q201 PolarHBondContact O-N 2.65Å; P199-Q201 VanDerWaalsContact O-N 3.13Å
200	N	32	Very low	30.4	Very low	164 Å²	164	102.1 Å²	102.1	88%	0.877	58%	0.576	S	S	*	*			trans	33	67.3	161.8	-63.7	-17.5	0	0	0	115.1	F198 Q202	F198-N200 PolarHBondContact O-N 3.05Å; N200-Q202 PolarHBondContact O-N 3.49Å
201	Q	32.1	Very low	30.6	Very low	91 Å²	91	103.6 Å²	103.6	43%	0.425	58%	0.58	S	S	.	*			trans	-77.6	109.7	167	-69.5	-161.6	-33	0	0	108.5	F198 P199 H205	F198-Q201 HydrophobicContact CB-CG 4.49Å; P199-Q201 PolarHBondContact O-N 2.65Å; P199-Q201 VanDerWaalsContact O-N 3.13Å; Q201-H205 HydrophobicContact CB-CB 3.97Å; Q201-H205 VanDerWaalsContact CD-CG 3.42Å; Q201-H205 HydrophobicContact CG-CB 4.43Å; Q201-H205 PolarHBondContact NE2-CD2 3.23Å; Q201-H205 VanDerWaalsContact NE2-CD2 3.27Å; Q201-H205 PolarHBondContact NE2-CE1 3.43Å; Q201-H205 PolarHBondContact NE2-NE2 3.27Å; Q201-H205 PolarHBondContact OE1-CE1 2.93Å; Q201-H205 PolarHBondContact OE1-ND1 3.49Å
202	Q	28.9	Very low	30.7	Very low	167 Å²	167	102.3 Å²	102.3	78%	0.78	58%	0.577	S	S	*	*			trans	-48.1	147.3	166.6	-77.6	172.7	-29.4	0	0	109.8	N200 D204 H205	N200-Q202 PolarHBondContact O-N 3.49Å; Q202-D204 PolarHBondContact O-N 3.16Å; Q202-H205 PolarHBondContact O-N 2.89Å; Q202-H205 VanDerWaalsContact O-N 3.11Å
203	D	32.4	Very low	30.7	Very low	118 Å²	118	99.3 Å²	99.3	63%	0.631	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.8	-2.8	-176	-77.1	-38	0	0	0	116.4
204	D	34.5	Very low	30.6	Very low	139 Å²	139	96.8 Å²	96.8	74%	0.743	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-0.8	177.8	-68.2	-37.1	0	0	0	114	Q202 P206	Q202-D204 PolarHBondContact O-N 3.16Å; D204-P206 VanDerWaalsContact O-CD 3.29Å; D204-P206 WeakPolarHBondContact O-CD 3.22Å
205	H	29.2	Very low	30.5	Very low	64 Å²	64	98.3 Å²	98.3	30%	0.296	54%	0.54	S	S	.	.			trans	-78.4	121	-178.1	-157.2	-95.2	0	0	0	112.5	Q201 Q202 V207 A208	Q201-H205 HydrophobicContact CB-CB 3.97Å; Q201-H205 VanDerWaalsContact CD-CG 3.42Å; Q201-H205 HydrophobicContact CG-CB 4.43Å; Q201-H205 PolarHBondContact NE2-CD2 3.23Å; Q201-H205 VanDerWaalsContact NE2-CD2 3.27Å; Q201-H205 PolarHBondContact NE2-CE1 3.43Å; Q201-H205 PolarHBondContact NE2-NE2 3.27Å; Q201-H205 PolarHBondContact OE1-CE1 2.93Å; Q201-H205 PolarHBondContact OE1-ND1 3.49Å; Q202-H205 PolarHBondContact O-N 2.89Å; Q202-H205 VanDerWaalsContact O-N 3.11Å; H205-V207 PolarHBondContact O-N 3.02Å; H205-A208 PolarHBondContact O-N 2.93Å; H205-A208 VanDerWaalsContact O-N 3.16Å
206	P	30.5	Very low	30.3	Very low	28 Å²	28	98.1 Å²	98.1	18%	0.182	53%	0.528	C	S	.	.	G	3₁₀ helix	trans	-39.3	-38.8	179.5	-40.5	41.9	0	0	0	116.8	D204 A208 Y230	D204-P206 VanDerWaalsContact O-CD 3.29Å; D204-P206 WeakPolarHBondContact O-CD 3.22Å; P206-A208 PolarHBondContact O-N 3.21Å; P206-Y230 VanDerWaalsContact C-CE2 3.47Å; P206-Y230 HydrophobicContact CB-CD1 4.49Å; P206-Y230 HydrophobicContact CB-CD2 4.11Å; P206-Y230 HydrophobicContact CB-CE1 3.87Å; P206-Y230 HydrophobicContact CB-CE2 3.42Å; P206-Y230 VanDerWaalsContact CB-CE2 3.42Å; P206-Y230 WeakPolarHBondContact CB-OH 3.34Å; P206-Y230 HydrophobicContact CG-CE2 4.34Å; P206-Y230 WeakPolarHBondContact CG-OH 2.99Å; P206-Y230 WeakPolarHBondContact O-CD2 3.23Å; P206-Y230 WeakPolarHBondContact O-CE2 3.39Å
207	V	30.4	Very low	30.3	Very low	82 Å²	82	99.2 Å²	99.2	50%	0.497	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-82.5	-17.1	-165.8	-171.2	0	0	0	0	112.6	H205 H209 A210	H205-V207 PolarHBondContact O-N 3.02Å; V207-H209 PolarHBondContact O-N 2.69Å; V207-H209 VanDerWaalsContact O-N 3.11Å; V207-A210 PolarHBondContact O-N 2.71Å
208	A	29.6	Very low	30.2	Very low	49 Å²	49	101 Å²	101	41%	0.405	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-68.5	-9.4	180	0	0	0	0	0	114	H205 P206	H205-A208 PolarHBondContact O-N 2.93Å; H205-A208 VanDerWaalsContact O-N 3.16Å; P206-A208 PolarHBondContact O-N 3.21Å
209	H	31.1	Very low	30.2	Very low	67 Å²	67	97.6 Å²	97.6	31%	0.31	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-114.2	7.7	-174.4	-68.9	-53.8	0	0	0	114.6	V207 L211 P226 H228	V207-H209 PolarHBondContact O-N 2.69Å; V207-H209 VanDerWaalsContact O-N 3.11Å; H209-L211 PolarHBondContact O-N 2.83Å; H209-L211 VanDerWaalsContact O-N 3.13Å; H209-P226 HydrophobicContact CB-CB 3.6Å; H209-P226 HydrophobicContact CB-CG 4.06Å; H209-H228 VanDerWaalsContact CB-O 3.23Å; H209-H228 WeakPolarHBondContact CB-O 3.37Å
210	A	29.3	Very low	30.1	Very low	27 Å²	27	99.4 Å²	99.4	22%	0.223	54%	0.536	C	S	.	.			trans	-71.4	107.4	177.1	0	0	0	0	0	110.5	V207 I212	V207-A210 PolarHBondContact O-N 2.71Å; A210-I212 PolarHBondContact O-N 3.37Å
211	L	33.9	Very low	30	Very low	117 Å²	117	100.1 Å²	100.1	61%	0.613	53%	0.531	S	S	*	.			trans	-70.9	93.5	171.1	-78.5	163	0	0	0	109.6	H209 S213	H209-L211 PolarHBondContact O-N 2.83Å; H209-L211 VanDerWaalsContact O-N 3.13Å; L211-S213 PolarHBondContact O-N 3.1Å
212	I	30.8	Very low	29.8	Very low	100 Å²	100	101.2 Å²	101.2	51%	0.513	54%	0.544	S	S	.	.			trans	-93	91.4	169.1	-54.3	175.8	0	0	0	107.6	A210	A210-I212 PolarHBondContact O-N 3.37Å
213	S	28.8	Very low	29.7	Very low	62 Å²	62	98.6 Å²	98.6	43%	0.434	54%	0.544	S	S	.	.			trans	-103.8	112.8	171.9	-178.8	0	0	0	0	111	L211 N215	L211-S213 PolarHBondContact O-N 3.1Å; S213-N215 PolarHBondContact OG-O 3.18Å; S213-N215 VanDerWaalsContact OG-O 3.1Å
214	Q	28	Very low	29.6	Very low	128 Å²	128	103.4 Å²	103.4	60%	0.598	55%	0.553	S	S	*	*	S	Bend	trans	-89.5	-3.9	173.7	-75.3	-173.3	-17.7	0	0	113.5	G171	G171-Q214 PolarHBondContact O-OE1 2.54Å
215	N	27.2	Very low	29.7	Very low	103 Å²	103	100.9 Å²	100.9	55%	0.551	54%	0.539	S	S	*	.			trans	-147.4	117.1	177.5	-90.5	-47.5	0	0	0	109.6	S213 K217	S213-N215 PolarHBondContact OG-O 3.18Å; S213-N215 VanDerWaalsContact OG-O 3.1Å; N215-K217 PolarHBondContact O-N 2.9Å
216	S	28.2	Very low	29.9	Very low	61 Å²	61	99.1 Å²	99.1	43%	0.427	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-8.9	-174	48.6	0	0	0	0	115.4	T218	S216-T218 PolarHBondContact O-N 3.09Å
217	K	29.5	Very low	30	Very low	187 Å²	187	107.6 Å²	107.6	81%	0.813	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-9.8	-167.1	-66.5	-171.5	176.2	-175	0	116.4	N215	N215-K217 PolarHBondContact O-N 2.9Å
218	T	27.6	Very low	30	Very low	123 Å²	123	109 Å²	109	76%	0.755	56%	0.562	S	S	*	*			trans	-147.9	53.3	-171.8	50.8	0	0	0	0	113.7	S216 N220	S216-T218 PolarHBondContact O-N 3.09Å; T218-N220 PolarHBondContact O-N 2.94Å
219	V	30.7	Very low	30.4	Very low	64 Å²	64	109.3 Å²	109.3	39%	0.388	56%	0.559	S	S	.	*			trans	-88.5	88	166.7	-173.1	0	0	0	0	108.4	F221	V219-F221 HydrophobicContact CG1-CD2 4.44Å; V219-F221 HydrophobicContact CG1-CE2 4.29Å; V219-F221 PolarHBondContact O-N 3.34Å; V219-F221 VanDerWaalsContact O-N 3.15Å
220	N	28	Very low	30.5	Very low	147 Å²	147	109 Å²	109	79%	0.786	56%	0.556	S	S	*	*			trans	-65.7	109.4	164.2	-95.5	-18.1	0	0	0	107.6	T218 V222	T218-N220 PolarHBondContact O-N 2.94Å; N220-V222 HydrophobicContact CB-CG2 4.47Å; N220-V222 PolarHBondContact O-N 3.11Å
221	F	29.7	Very low	30.8	Very low	178 Å²	178	111.9 Å²	111.9	78%	0.781	56%	0.563	S	S	*	*			trans	-68.7	86.8	169.5	-80	-88.3	0	0	0	108.6	V219 S223	V219-F221 HydrophobicContact CG1-CD2 4.44Å; V219-F221 HydrophobicContact CG1-CE2 4.29Å; V219-F221 PolarHBondContact O-N 3.34Å; V219-F221 VanDerWaalsContact O-N 3.15Å; F221-S223 VanDerWaalsContact C-N 3.32Å; F221-S223 PolarHBondContact O-N 2.69Å
222	V	26.7	Very low	30.9	Very low	115 Å²	115	109.1 Å²	109.1	70%	0.697	55%	0.549	S	S	*	.			trans	-70.6	90.7	172.5	-171	0	0	0	0	108.1	N220 R224	N220-V222 HydrophobicContact CB-CG2 4.47Å; N220-V222 PolarHBondContact O-N 3.11Å; V222-R224 PolarHBondContact O-N 3.25Å
223	S	28.1	Very low	31	Very low	112 Å²	112	110.6 Å²	110.6	78%	0.783	55%	0.552	S	S	*	*	S	Bend	trans	40.9	1.7	151	62.3	0	0	0	0	122.3	F221	F221-S223 VanDerWaalsContact C-N 3.32Å; F221-S223 PolarHBondContact O-N 2.69Å
224	R	30.6	Very low	31.2	Very low	218 Å²	218	112.2 Å²	112.2	82%	0.823	56%	0.555	S	S	*	*			trans	-151	107.6	176.8	-68.7	-172.1	178.1	-173.7	-0.8	108.8	V222	V222-R224 PolarHBondContact O-N 3.25Å
225	I	35	Very low	31.6	Very low	87 Å²	87	108.6 Å²	108.6	45%	0.446	54%	0.54	S	S	.	.			trans	-62.3	127.7	166.9	-60.2	176.4	0	0	0	106.7	E8 R227	E8-I225 VanDerWaalsContact OE1-CD1 3.3Å; E8-I225 WeakPolarHBondContact OE1-CD1 3.48Å; I225-R227 PolarHBondContact O-N 3.1Å
226	P	34.9	Very low	32	Very low	27 Å²	27	109.2 Å²	109.2	18%	0.175	56%	0.559	C	S	.	*			trans	-55.4	134.8	175.3	-24.7	33.5	0	0	0	111.6	H209 H228 V229	H209-P226 HydrophobicContact CB-CB 3.6Å; H209-P226 HydrophobicContact CB-CG 4.06Å; P226-H228 WeakPolarHBondContact CB-O 3.4Å; P226-H228 PolarHBondContact O-N 3.13Å; P226-V229 HydrophobicContact CB-CG2 4.19Å; P226-V229 HydrophobicContact CG-CG2 4.3Å
227	R	31.1	Very low	32.4	Very low	205 Å²	205	113.4 Å²	113.4	77%	0.774	57%	0.572	S	S	*	*	S	Bend	trans	-54.5	-26.2	172.7	-78.9	-177.5	169.6	176.4	-2.9	112.3	I225	I225-R227 PolarHBondContact O-N 3.1Å
228	H	31.7	Very low	32.5	Very low	112 Å²	112	106.7 Å²	106.7	52%	0.519	56%	0.556	S	S	.	*			trans	-138.3	122.7	175.6	-60.1	-76.7	0	0	0	109.2	H209 P226 Y230	H209-H228 VanDerWaalsContact CB-O 3.23Å; H209-H228 WeakPolarHBondContact CB-O 3.37Å; P226-H228 WeakPolarHBondContact CB-O 3.4Å; P226-H228 PolarHBondContact O-N 3.13Å; H228-Y230 HydrophobicContact CB-CD2 4.1Å; H228-Y230 HydrophobicContact CB-CE2 3.3Å
229	V	37.1	Very low	32.7	Very low	56 Å²	56	107.2 Å²	107.2	34%	0.339	55%	0.548	S	S	.	.			trans	-102.3	115.7	167.4	-177.7	0	0	0	0	106.7	P226 F231	P226-V229 HydrophobicContact CB-CG2 4.19Å; P226-V229 HydrophobicContact CG-CG2 4.3Å; V229-F231 HydrophobicContact CB-CE2 4.09Å; V229-F231 HydrophobicContact CG1-CD2 4.27Å; V229-F231 HydrophobicContact CG1-CE1 4.43Å; V229-F231 HydrophobicContact CG1-CE2 3.63Å; V229-F231 HydrophobicContact CG1-CZ 3.73Å
230	Y	34.4	Very low	32.8	Very low	60 Å²	60	110.4 Å²	110.4	24%	0.235	55%	0.554	C	S	.	*			trans	-92.5	121.3	175.6	-66	-92.6	0	0	0	108.9	P206 H228	P206-Y230 VanDerWaalsContact C-CE2 3.47Å; P206-Y230 HydrophobicContact CB-CD1 4.49Å; P206-Y230 HydrophobicContact CB-CD2 4.11Å; P206-Y230 HydrophobicContact CB-CE1 3.87Å; P206-Y230 HydrophobicContact CB-CE2 3.42Å; P206-Y230 VanDerWaalsContact CB-CE2 3.42Å; P206-Y230 WeakPolarHBondContact CB-OH 3.34Å; P206-Y230 HydrophobicContact CG-CE2 4.34Å; P206-Y230 WeakPolarHBondContact CG-OH 2.99Å; P206-Y230 WeakPolarHBondContact O-CD2 3.23Å; P206-Y230 WeakPolarHBondContact O-CE2 3.39Å; H228-Y230 HydrophobicContact CB-CD2 4.1Å; H228-Y230 HydrophobicContact CB-CE2 3.3Å
231	F	35.2	Very low	32.9	Very low	87 Å²	87	108.4 Å²	108.4	38%	0.382	54%	0.544	S	S	.	.			trans	-93	110.8	173.4	-68.5	-89.2	0	0	0	108.2	L20 A22 V229 K233	L20-F231 WeakPolarHBondContact O-CE2 3.29Å; L20-F231 WeakPolarHBondContact O-CZ 3.34Å; A22-F231 HydrophobicContact CB-CD1 4.33Å; V229-F231 HydrophobicContact CB-CE2 4.09Å; V229-F231 HydrophobicContact CG1-CD2 4.27Å; V229-F231 HydrophobicContact CG1-CE1 4.43Å; V229-F231 HydrophobicContact CG1-CE2 3.63Å; V229-F231 HydrophobicContact CG1-CZ 3.73Å; F231-K233 PolarHBondContact O-N 3.12Å
232	L	34.6	Very low	32.8	Very low	60 Å²	60	109 Å²	109	31%	0.314	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-83.6	117.2	175.7	-63.6	173.1	0	0	0	109.4	Y240 N241	L232-Y240 HydrophobicContact CB-CD1 3.32Å; L232-Y240 HydrophobicContact CB-CE1 4.16Å; L232-Y240 HydrophobicContact CB-CG 3.79Å; L232-Y240 HydrophobicContact CD1-CD1 4.22Å; L232-Y240 HydrophobicContact CD1-CG 4Å; L232-Y240 HydrophobicContact CG-CD1 4.38Å; L232-Y240 HydrophobicContact CG-CG 4.44Å; L232-N241 CarbonylContact C-O 3.29Å; L232-N241 VanDerWaalsContact CA-O 3.32Å; L232-N241 WeakPolarHBondContact CA-O 3.29Å
233	K	33.1	Very low	33.1	Very low	130 Å²	130	108.7 Å²	108.7	57%	0.565	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	121.9	173.4	-174.6	176.9	180	-178.6	0	109.4	F231 N235 N241	F231-K233 PolarHBondContact O-N 3.12Å; K233-N235 PolarHBondContact O-N 3.23Å; K233-N241 PolarHBondContact N-O 2.68Å; K233-N241 PolarHBondContact O-N 3Å
234	L	32.9	Very low	33.4	Very low	97 Å²	97	108.5 Å²	108.5	51%	0.508	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	118.7	168.3	-151.3	84.6	0	0	0	108.7	G238 F239 Y240	L234-G238 WeakPolarHBondContact CD1-O 3.18Å; L234-F239 CarbonylContact C-O 3.41Å; L234-F239 WeakPolarHBondContact CA-O 3.45Å; L234-Y240 HydrophobicContact CD1-CD1 3.97Å; L234-Y240 HydrophobicContact CD1-CD2 4.48Å; L234-Y240 HydrophobicContact CD1-CE1 3.73Å; L234-Y240 HydrophobicContact CD1-CE2 4.24Å; L234-Y240 HydrophobicContact CD1-CG 4.37Å
235	N	37.7	Very low	33.6	Very low	51 Å²	51	102.4 Å²	102.4	27%	0.273	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-77.8	170.1	171.5	76.9	4.5	0	0	0	110.3	K233 Q237 G238 F239	K233-N235 PolarHBondContact O-N 3.23Å; N235-Q237 PolarHBondContact ND2-OE1 3.36Å; N235-Q237 PolarHBondContact O-N 2.85Å; N235-Q237 VanDerWaalsContact OD1-C 3.3Å; N235-Q237 WeakPolarHBondContact OD1-CA 3.08Å; N235-Q237 WeakPolarHBondContact OD1-CB 3.38Å; N235-Q237 PolarHBondContact OD1-N 3.16Å; N235-G238 PolarHBondContact O-N 3.02Å; N235-G238 PolarHBondContact OD1-N 2.71Å; N235-F239 PolarHBondContact N-O 2.94Å; N235-F239 PolarHBondContact OD1-N 2.77Å; N235-F239 PolarHBondContact OD1-O 3.26Å
236	A	35.3	Very low	33.5	Very low	117 Å²	117	103.3 Å²	103.3	97%	0.967	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-13	179.3	0	0	0	0	0	113.9
237	Q	37.5	Very low	33.4	Very low	149 Å²	149	108.1 Å²	108.1	70%	0.696	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	4.1	179.5	-59.4	163	-21.1	0	0	112.2	N235 F239	N235-Q237 PolarHBondContact ND2-OE1 3.36Å; N235-Q237 PolarHBondContact O-N 2.85Å; N235-Q237 VanDerWaalsContact OD1-C 3.3Å; N235-Q237 WeakPolarHBondContact OD1-CA 3.08Å; N235-Q237 WeakPolarHBondContact OD1-CB 3.38Å; N235-Q237 PolarHBondContact OD1-N 3.16Å; Q237-F239 HydrophobicContact CB-CD2 3.6Å; Q237-F239 HydrophobicContact CB-CE2 3.72Å
238	G	29.8	Very low	33.5	Very low	46 Å²	46	101.6 Å²	101.6	47%	0.474	51%	0.51	S	S	.	.	S	Bend	trans	82.5	8.2	179.2	0	0	0	0	0	115.2	L234 N235	L234-G238 WeakPolarHBondContact CD1-O 3.18Å; N235-G238 PolarHBondContact O-N 3.02Å; N235-G238 PolarHBondContact OD1-N 2.71Å
239	F	32.5	Very low	33.7	Very low	134 Å²	134	100.9 Å²	100.9	59%	0.588	51%	0.509	S	S	*	.			trans	-90.2	138	176.5	-58.7	-76.5	0	0	0	111.4	L234 N235 Q237 N241	L234-F239 CarbonylContact C-O 3.41Å; L234-F239 WeakPolarHBondContact CA-O 3.45Å; N235-F239 PolarHBondContact N-O 2.94Å; N235-F239 PolarHBondContact OD1-N 2.77Å; N235-F239 PolarHBondContact OD1-O 3.26Å; Q237-F239 HydrophobicContact CB-CD2 3.6Å; Q237-F239 HydrophobicContact CB-CE2 3.72Å; F239-N241 PolarHBondContact O-N 2.95Å
240	Y	34	Very low	33.4	Very low	130 Å²	130	104.3 Å²	104.3	51%	0.51	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	114.2	166.7	-75.6	-61.2	0	0	0	109.9	L232 L234	L232-Y240 HydrophobicContact CB-CD1 3.32Å; L232-Y240 HydrophobicContact CB-CE1 4.16Å; L232-Y240 HydrophobicContact CB-CG 3.79Å; L232-Y240 HydrophobicContact CD1-CD1 4.22Å; L232-Y240 HydrophobicContact CD1-CG 4Å; L232-Y240 HydrophobicContact CG-CD1 4.38Å; L232-Y240 HydrophobicContact CG-CG 4.44Å; L234-Y240 HydrophobicContact CD1-CD1 3.97Å; L234-Y240 HydrophobicContact CD1-CD2 4.48Å; L234-Y240 HydrophobicContact CD1-CE1 3.73Å; L234-Y240 HydrophobicContact CD1-CE2 4.24Å; L234-Y240 HydrophobicContact CD1-CG 4.37Å
241	N	29	Very low	33.3	Very low	106 Å²	106	108 Å²	108	57%	0.567	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	147.6	167.9	-160.8	1.5	0	0	0	109.8	L232 K233 F239	L232-N241 CarbonylContact C-O 3.29Å; L232-N241 VanDerWaalsContact CA-O 3.32Å; L232-N241 WeakPolarHBondContact CA-O 3.29Å; K233-N241 PolarHBondContact N-O 2.68Å; K233-N241 PolarHBondContact O-N 3Å; F239-N241 PolarHBondContact O-N 2.95Å
242	R	28.4	Very low	33.2	Very low	189 Å²	189	109.9 Å²	109.9	71%	0.713	56%	0.561	S	S	*	*			trans	-61.2	0	174.9	-91.9	-174.5	176.5	177	1	112.5

Retrieved 242 of 242 residues in 240.6 ms (Link to these results)

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