A0A5K4FE15_SCHMA Loading...

GYF_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FE15, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 192 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	29.1	Very low	33.1	Very low	179 Å²	179	86.6 Å²	86.6	88%	0.882	41%	0.413	S	S	*	.				0	128.3	0	-179.5	-176.8	-79.2	0	0	107.9	V125	M1-V125 HydrophobicContact CG-CG1 4.43Å
2	K	30.8	Very low	34.3	Very low	85 Å²	85	86.3 Å²	86.3	37%	0.37	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.3	174.4	-175.1	171.2	-179.4	167.9	0	109.3	T4 E25 W126	K2-T4 WeakPolarHBondContact CE-OG1 3.21Å; K2-E25 IonicContact NZ-OE1 3.05Å; K2-E25 PolarHBondContact NZ-OE1 3.14Å; K2-W126 PolarHBondContact O-N 3.01Å
3	K	30.8	Very low	35.8	Very low	93 Å²	93	89 Å²	89	40%	0.404	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	109.2	169.7	-179.3	-179.1	177.3	-176.5	0	107.6	V5 W28	K3-V5 HydrophobicContact CG-CG2 4.21Å; K3-W28 HydrophobicContact CD-CZ2 4.41Å
4	T	31.7	Very low	36.7	Very low	26 Å²	26	93 Å²	93	16%	0.16	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.7	171.6	-55.4	0	0	0	0	108	K2 I6 K124	K2-T4 WeakPolarHBondContact CE-OG1 3.21Å; T4-I6 HydrophobicContact CG2-CG1 3.96Å; T4-K124 PolarHBondContact N-O 3.04Å
5	V	30.2	Very low	37.1	Very low	20 Å²	20	90.5 Å²	90.5	12%	0.121	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.4	171.7	-175.1	0	0	0	0	106.7	K3 Y7 V120	K3-V5 HydrophobicContact CG-CG2 4.21Å; V5-Y7 HydrophobicContact CB-CE2 4.08Å; V5-Y7 HydrophobicContact CG1-CD2 4.29Å; V5-Y7 HydrophobicContact CG1-CE1 4.1Å; V5-Y7 HydrophobicContact CG1-CE2 3.66Å; V5-V120 HydrophobicContact CG1-CG1 4.42Å
6	I	32.1	Very low	37.8	Very low	65 Å²	65	92.1 Å²	92.1	33%	0.333	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.7	178.5	-55	175.7	0	0	0	107	T4 I121	T4-I6 HydrophobicContact CG2-CG1 3.96Å; I6-I121 HydrophobicContact CB-CG1 4.5Å; I6-I121 HydrophobicContact CG2-CD1 4.03Å; I6-I121 HydrophobicContact CG2-CG1 4.34Å
7	Y	29.6	Very low	37.9	Very low	94 Å²	94	93.9 Å²	93.9	37%	0.369	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.9	174.6	-64.6	-83.8	0	0	0	108.8	V5 R118 V120	V5-Y7 HydrophobicContact CB-CE2 4.08Å; V5-Y7 HydrophobicContact CG1-CD2 4.29Å; V5-Y7 HydrophobicContact CG1-CE1 4.1Å; V5-Y7 HydrophobicContact CG1-CE2 3.66Å; Y7-R118 HydrophobicContact CD1-CB 4.03Å; Y7-V120 HydrophobicContact CD1-CG2 4.32Å; Y7-V120 HydrophobicContact CE1-CG2 4Å
8	K	32.6	Very low	37.9	Very low	107 Å²	107	98.5 Å²	98.5	47%	0.465	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.7	165	-170.8	173.5	-177.4	176	0	107.9	R118 E119 I121	K8-R118 WeakPolarHBondContact O-CA 3.39Å; K8-E119 PolarHBondContact N-O 3.4Å; K8-E119 VanDerWaalsContact N-O 3.16Å; K8-E119 PolarHBondContact O-N 3.35Å; K8-I121 HydrophobicContact CB-CD1 4.08Å; K8-I121 HydrophobicContact CB-CG1 4.25Å; K8-I121 HydrophobicContact CB-CG2 3.68Å; K8-I121 HydrophobicContact CD-CG2 4.29Å
9	E	37.5	Very low	37.6	Very low	77 Å²	77	99 Å²	99	36%	0.36	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	133.7	169.5	-165.8	150.6	174.2	0	0	108.7	Y19 P117 R118	E9-Y19 WeakPolarHBondContact CB-OH 3.5Å; E9-Y19 PolarHBondContact O-OH 3.34Å; E9-P117 CarbonylContact C-O 3.58Å; E9-P117 VanDerWaalsContact CA-O 3.25Å; E9-P117 WeakPolarHBondContact CA-O 3.41Å; E9-P117 HydrophobicContact CG-CG 4.14Å; E9-R118 HydrophobicContact CB-CG 4.2Å; E9-R118 HydrophobicContact CG-CG 4.31Å; E9-R118 IonicContact OE2-CZ 2.77Å; E9-R118 IonicContact OE2-NE 2.83Å; E9-R118 PolarHBondContact OE2-NE 3.15Å; E9-R118 IonicContact OE2-NH2 2.71Å; E9-R118 PolarHBondContact OE2-NH2 3.37Å
10	K	40.8	Very low	37.3	Very low	123 Å²	123	104.3 Å²	104.3	54%	0.535	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-70.8	126.4	174.6	-74.4	-174.7	176	179.7	0	105.9	S12 P117	K10-S12 PolarHBondContact O-N 3.38Å; K10-P117 HydrophobicContact CB-CB 4.14Å; K10-P117 PolarHBondContact N-O 3.45Å
11	P	39	Very low	37.2	Very low	84 Å²	84	105.6 Å²	105.6	55%	0.545	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-57.8	132.6	178.7	22.3	-31	0	0	0	109.1	S13 Y19	P11-S13 PolarHBondContact O-N 2.99Å; P11-Y19 HydrophobicContact CB-CE2 4Å
12	S	47.4	Very low	37.4	Very low	83 Å²	83	103.4 Å²	103.4	58%	0.58	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-60.2	139.4	165.2	93.3	0	0	0	0	107	K10 N14 S15	K10-S12 PolarHBondContact O-N 3.38Å; S12-N14 PolarHBondContact O-N 3.08Å; S12-S15 PolarHBondContact O-N 3.31Å
13	S	53.2	Low	37.6	Very low	121 Å²	121	103.9 Å²	103.9	85%	0.846	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-5	-170.7	48.4	0	0	0	0	115.6	P11	P11-S13 PolarHBondContact O-N 2.99Å
14	N	48.7	Very low	37.8	Very low	145 Å²	145	102.3 Å²	102.3	78%	0.775	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124	10.3	-173.5	-64.8	4.4	0	0	0	115.2	S12	S12-N14 PolarHBondContact O-N 3.08Å
15	S	43.6	Very low	38	Very low	56 Å²	56	104.8 Å²	104.8	39%	0.392	55%	0.546	S	S	.	.			trans	-93.1	115.7	178.2	63.7	0	0	0	0	112.3	S12 D17	S12-S15 PolarHBondContact O-N 3.31Å; S15-D17 VanDerWaalsContact C-N 3.27Å
16	S	47.2	Very low	38.2	Very low	115 Å²	115	107.2 Å²	107.2	80%	0.804	56%	0.561	S	S	*	*			trans	-81.7	-2.9	168.2	52.2	0	0	0	0	113.8
17	D	40.3	Very low	38.3	Very low	123 Å²	123	107.8 Å²	107.8	66%	0.658	57%	0.568	S	S	*	*	S	Bend	trans	-93.7	135.4	-161.9	-59.7	-16.2	0	0	0	111.3	S15 Y19	S15-D17 VanDerWaalsContact C-N 3.27Å; D17-Y19 PolarHBondContact O-N 3.31Å
18	E	37.9	Very low	38.5	Very low	177 Å²	177	110.4 Å²	110.4	83%	0.827	58%	0.577	S	S	*	*			trans	-45	115.6	-178.8	-68.1	173.8	160.7	0	0	111.2
19	Y	32.4	Very low	38.4	Very low	108 Å²	108	108.9 Å²	108.9	42%	0.424	58%	0.577	S	S	.	*			trans	-78.1	122.5	-170	-137.8	-103.2	0	0	0	110.1	E9 P11 D17	E9-Y19 WeakPolarHBondContact CB-OH 3.5Å; E9-Y19 PolarHBondContact O-OH 3.34Å; P11-Y19 HydrophobicContact CB-CE2 4Å; D17-Y19 PolarHBondContact O-N 3.31Å
20	Y	31.9	Very low	38.2	Very low	205 Å²	205	109 Å²	109	80%	0.804	58%	0.583	S	S	*	*			trans	-88.7	123.9	168.6	-70.4	-80.8	0	0	0	109.7	E22	Y20-E22 PolarHBondContact O-N 3.22Å
21	D	34	Very low	37.5	Very low	132 Å²	132	109.8 Å²	109.8	71%	0.706	59%	0.586	S	S	*	*			trans	-66.2	95.2	166.5	-76.7	-30.5	0	0	0	108.5	V23	D21-V23 PolarHBondContact O-N 2.97Å
22	E	34	Very low	37	Very low	132 Å²	132	111.1 Å²	111.1	62%	0.617	59%	0.588	S	S	*	*			trans	-70.9	98.2	171.4	-168.9	-176.1	-153.1	0	0	109.1	Y20 V24 R118	Y20-E22 PolarHBondContact O-N 3.22Å; E22-V24 HydrophobicContact CG-CG2 3.93Å; E22-V24 PolarHBondContact O-N 3.39Å; E22-R118 IonicContact OE2-NH2 3.37Å
23	V	35.4	Very low	36.5	Very low	96 Å²	96	110 Å²	110	58%	0.582	59%	0.589	S	S	*	*			trans	-79.5	96.8	172.3	-177.6	0	0	0	0	108.5	D21 E25	D21-V23 PolarHBondContact O-N 2.97Å; V23-E25 PolarHBondContact O-N 3.46Å
24	V	34.9	Very low	35.8	Very low	60 Å²	60	112 Å²	112	36%	0.364	59%	0.591	S	S	.	*			trans	-86	105.8	171.4	-172.9	0	0	0	0	109	E22 T26	E22-V24 HydrophobicContact CG-CG2 3.93Å; E22-V24 PolarHBondContact O-N 3.39Å; V24-T26 PolarHBondContact O-N 3.41Å
25	E	34.4	Very low	35	Very low	78 Å²	78	112.7 Å²	112.7	36%	0.364	59%	0.586	S	S	.	*			trans	-73.5	118.1	169.2	-70.8	-161.6	141.8	0	0	109.7	K2 V23	K2-E25 IonicContact NZ-OE1 3.05Å; K2-E25 PolarHBondContact NZ-OE1 3.14Å; V23-E25 PolarHBondContact O-N 3.46Å
26	T	34.8	Very low	34.9	Very low	71 Å²	71	115.3 Å²	115.3	44%	0.436	60%	0.596	S	S	.	*			trans	-99.8	106.3	177.6	-54.9	0	0	0	0	109.6	V24 W28	V24-T26 PolarHBondContact O-N 3.41Å; T26-W28 PolarHBondContact O-N 3.42Å
27	T	35.1	Very low	34.4	Very low	76 Å²	76	111.7 Å²	111.7	47%	0.466	57%	0.567	S	S	.	*			trans	-69.9	120.4	164.9	-54.3	0	0	0	0	108.6	V29	T27-V29 PolarHBondContact O-N 3.29Å
28	W	33.6	Very low	34.7	Very low	149 Å²	149	108.5 Å²	108.5	56%	0.564	55%	0.552	S	S	*	*			trans	-79.5	121.3	175.4	-70.5	80.9	0	0	0	109.8	K3 T26	K3-W28 HydrophobicContact CD-CZ2 4.41Å; T26-W28 PolarHBondContact O-N 3.42Å
29	V	31.3	Very low	35.1	Very low	76 Å²	76	103.4 Å²	103.4	46%	0.461	53%	0.531	S	S	.	.			trans	-87.3	115.7	160.4	177.8	0	0	0	0	106.4	T27 K31 N36	T27-V29 PolarHBondContact O-N 3.29Å; V29-K31 PolarHBondContact O-N 3.24Å; V29-N36 HydrophobicContact CG1-CB 3.7Å
30	V	31.8	Very low	36	Very low	80 Å²	80	103.9 Å²	103.9	49%	0.485	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	110	174.8	-178.8	0	0	0	0	107	L32 I37	V30-L32 HydrophobicContact CG1-CD2 3.73Å; V30-L32 HydrophobicContact CG1-CG 4.05Å; V30-L32 PolarHBondContact O-N 3.32Å; V30-I37 PolarHBondContact N-O 2.61Å; V30-I37 VanDerWaalsContact N-O 3.16Å; V30-I37 VanDerWaalsContact O-CB 3.26Å; V30-I37 WeakPolarHBondContact O-CB 3.12Å; V30-I37 PolarHBondContact O-N 2.96Å
31	K	26.6	Very low	37	Very low	138 Å²	138	97.7 Å²	97.7	60%	0.6	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	109.1	173	-171.6	177.6	178.3	-175.2	0	108.8	V29 G33 K35	V29-K31 PolarHBondContact O-N 3.24Å; K31-G33 WeakPolarHBondContact CE-O 3.42Å; K31-G33 WeakPolarHBondContact CG-O 3.42Å; K31-K35 CarbonylContact C-O 3.21Å; K31-K35 WeakPolarHBondContact CA-O 3.36Å
32	L	29.1	Very low	37.8	Very low	112 Å²	112	95.7 Å²	95.7	59%	0.586	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	103.5	172.3	-65	-170.1	0	0	0	108.8	V30 D34 K35 I37	V30-L32 HydrophobicContact CG1-CD2 3.73Å; V30-L32 HydrophobicContact CG1-CG 4.05Å; V30-L32 PolarHBondContact O-N 3.32Å; L32-D34 PolarHBondContact O-N 2.85Å; L32-K35 PolarHBondContact N-O 3.34Å; L32-K35 PolarHBondContact O-N 3.29Å; L32-I37 HydrophobicContact CB-CD1 3.81Å; L32-I37 HydrophobicContact CB-CG1 4.38Å; L32-I37 HydrophobicContact CD1-CD1 3.32Å; L32-I37 HydrophobicContact CG-CD1 3.59Å; L32-I37 HydrophobicContact CG-CG1 4.36Å
33	G	36.1	Very low	38.6	Very low	59 Å²	59	90.5 Å²	90.5	61%	0.608	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	-127.8	-175.2	0	0	0	0	0	111.9	K31 K35	K31-G33 WeakPolarHBondContact CE-O 3.42Å; K31-G33 WeakPolarHBondContact CG-O 3.42Å; G33-K35 VanDerWaalsContact C-N 3.28Å; G33-K35 PolarHBondContact O-N 3.08Å
34	D	37.9	Very low	39.5	Very low	165 Å²	165	89 Å²	89	88%	0.882	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	5.2	-179.8	-64	-30.4	0	0	0	113.8	L32	L32-D34 PolarHBondContact O-N 2.85Å
35	K	31.7	Very low	40.3	Very low	158 Å²	158	91.4 Å²	91.4	69%	0.687	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.3	-178.5	-67.1	-172.9	179.4	-176.8	0	112	K31 L32 G33	K31-K35 CarbonylContact C-O 3.21Å; K31-K35 WeakPolarHBondContact CA-O 3.36Å; L32-K35 PolarHBondContact N-O 3.34Å; L32-K35 PolarHBondContact O-N 3.29Å; G33-K35 VanDerWaalsContact C-N 3.28Å; G33-K35 PolarHBondContact O-N 3.08Å
36	N	41.4	Very low	41.1	Very low	111 Å²	111	90.2 Å²	90.2	59%	0.594	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	123	166.4	-67.2	-21.2	0	0	0	107.9	V29	V29-N36 HydrophobicContact CG1-CB 3.7Å
37	I	38.6	Very low	41.8	Very low	39 Å²	39	88 Å²	88	20%	0.2	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.5	173.5	-59.2	-169.8	0	0	0	107.7	V30 L32 D41 L42	V30-I37 PolarHBondContact N-O 2.61Å; V30-I37 VanDerWaalsContact N-O 3.16Å; V30-I37 VanDerWaalsContact O-CB 3.26Å; V30-I37 WeakPolarHBondContact O-CB 3.12Å; V30-I37 PolarHBondContact O-N 2.96Å; L32-I37 HydrophobicContact CB-CD1 3.81Å; L32-I37 HydrophobicContact CB-CG1 4.38Å; L32-I37 HydrophobicContact CD1-CD1 3.32Å; L32-I37 HydrophobicContact CG-CD1 3.59Å; L32-I37 HydrophobicContact CG-CG1 4.36Å; I37-D41 HydrophobicContact CG2-CB 3.78Å; I37-L42 HydrophobicContact CG2-CB 4.09Å
38	T	46.1	Very low	42.6	Very low	56 Å²	56	90.2 Å²	90.2	34%	0.344	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-78.3	163.5	170.2	63.9	0	0	0	0	110.4	K40 D41 L42	T38-K40 PolarHBondContact O-N 3.18Å; T38-K40 PolarHBondContact OG1-N 2.87Å; T38-D41 WeakPolarHBondContact CB-OD2 3.25Å; T38-D41 PolarHBondContact N-OD2 3.35Å; T38-D41 PolarHBondContact O-N 2.9Å; T38-D41 PolarHBondContact OG1-N 2.82Å; T38-D41 VanDerWaalsContact OG1-N 3.07Å; T38-D41 PolarHBondContact OG1-OD2 3.49Å; T38-L42 PolarHBondContact O-N 3Å
39	D	46.7	Very low	43.3	Very low	71 Å²	71	88.7 Å²	88.7	38%	0.38	46%	0.463	S	S	.	.	H	α-helix	trans	-52.1	-41.4	167.5	56.8	-17.8	0	0	0	111.4	L42 L43	D39-L42 PolarHBondContact O-N 3.25Å; D39-L43 WeakPolarHBondContact O-CB 3.39Å; D39-L43 WeakPolarHBondContact O-CD1 3.33Å; D39-L43 WeakPolarHBondContact O-CG 3.43Å; D39-L43 PolarHBondContact O-N 3.05Å
40	K	51.6	Low	44.1	Very low	118 Å²	118	87.9 Å²	87.9	51%	0.513	46%	0.458	S	S	.	.	H	α-helix	trans	-60.2	-47.4	174.5	-166.9	-166.3	-176.5	-48.9	0	112.8	T38 L42 L43 D44	T38-K40 PolarHBondContact O-N 3.18Å; T38-K40 PolarHBondContact OG1-N 2.87Å; K40-L42 VanDerWaalsContact C-N 3.29Å; K40-L42 PolarHBondContact O-N 3.4Å; K40-L43 PolarHBondContact O-N 2.87Å; K40-D44 IonicContact NZ-OD1 2.87Å; K40-D44 PolarHBondContact NZ-OD1 3.11Å; K40-D44 IonicContact NZ-OD2 2.61Å; K40-D44 PolarHBondContact NZ-OD2 2.98Å; K40-D44 WeakPolarHBondContact O-CB 3.22Å; K40-D44 PolarHBondContact O-N 2.81Å
41	D	50.9	Low	45.1	Very low	75 Å²	75	93.4 Å²	93.4	40%	0.401	48%	0.475	S	S	.	.	H	α-helix	trans	-62.1	-39.2	179.6	-63.9	-53.6	0	0	0	111.5	I37 T38 L43 Y45	I37-D41 HydrophobicContact CG2-CB 3.78Å; T38-D41 WeakPolarHBondContact CB-OD2 3.25Å; T38-D41 PolarHBondContact N-OD2 3.35Å; T38-D41 PolarHBondContact O-N 2.9Å; T38-D41 PolarHBondContact OG1-N 2.82Å; T38-D41 VanDerWaalsContact OG1-N 3.07Å; T38-D41 PolarHBondContact OG1-OD2 3.49Å; D41-L43 VanDerWaalsContact C-N 3.35Å; D41-Y45 VanDerWaalsContact O-CB 3.27Å; D41-Y45 WeakPolarHBondContact O-CB 3.44Å; D41-Y45 PolarHBondContact O-N 3.02Å
42	L	52.2	Low	45.9	Very low	90 Å²	90	89.6 Å²	89.6	47%	0.471	46%	0.462	S	S	.	.	H	α-helix	trans	-64.6	-40.9	175.7	-175.8	65.9	0	0	0	111.3	I37 T38 D39 K40 Y45 L46	I37-L42 HydrophobicContact CG2-CB 4.09Å; T38-L42 PolarHBondContact O-N 3Å; D39-L42 PolarHBondContact O-N 3.25Å; K40-L42 VanDerWaalsContact C-N 3.29Å; K40-L42 PolarHBondContact O-N 3.4Å; L42-Y45 WeakPolarHBondContact O-CB 3.17Å; L42-Y45 PolarHBondContact O-N 3.11Å; L42-L46 HydrophobicContact CG-CD1 4.33Å; L42-L46 VanDerWaalsContact O-CG 3.24Å; L42-L46 WeakPolarHBondContact O-CG 3.46Å; L42-L46 PolarHBondContact O-N 2.99Å
43	L	50.6	Low	47	Very low	22 Å²	22	92.3 Å²	92.3	12%	0.115	47%	0.471	C	S	.	.	H	α-helix	trans	-71.9	-45.1	179.6	-71.2	159.2	0	0	0	112.7	D39 K40 D41 Y45 L46 N47 F56 F77	D39-L43 WeakPolarHBondContact O-CB 3.39Å; D39-L43 WeakPolarHBondContact O-CD1 3.33Å; D39-L43 WeakPolarHBondContact O-CG 3.43Å; D39-L43 PolarHBondContact O-N 3.05Å; K40-L43 PolarHBondContact O-N 2.87Å; D41-L43 VanDerWaalsContact C-N 3.35Å; L43-Y45 PolarHBondContact O-N 2.96Å; L43-L46 PolarHBondContact O-N 3.2Å; L43-L46 VanDerWaalsContact O-N 3.11Å; L43-N47 PolarHBondContact O-N 2.94Å; L43-F56 HydrophobicContact CD2-CB 3.89Å; L43-F56 HydrophobicContact CD2-CD1 4.35Å; L43-F56 HydrophobicContact CD2-CD2 4.02Å; L43-F56 HydrophobicContact CD2-CG 3.82Å; L43-F77 HydrophobicContact CD1-CD1 4.05Å; L43-F77 HydrophobicContact CD1-CD2 3.81Å; L43-F77 HydrophobicContact CD1-CE1 3.5Å; L43-F77 VanDerWaalsContact CD1-CE1 3.5Å; L43-F77 HydrophobicContact CD1-CE2 3.24Å; L43-F77 HydrophobicContact CD1-CG 4.19Å; L43-F77 HydrophobicContact CD1-CZ 3.08Å; L43-F77 HydrophobicContact CD2-CD1 4.09Å; L43-F77 HydrophobicContact CD2-CD2 4.18Å; L43-F77 HydrophobicContact CD2-CE1 4.35Å; L43-F77 HydrophobicContact CD2-CE2 4.45Å; L43-F77 HydrophobicContact CD2-CG 4.02Å; L43-F77 HydrophobicContact CG-CE1 4.48Å; L43-F77 HydrophobicContact CG-CE2 4.47Å; L43-F77 HydrophobicContact CG-CZ 4.38Å
44	D	54.7	Low	47.6	Very low	66 Å²	66	94.2 Å²	94.2	35%	0.353	47%	0.468	S	S	.	.	H	α-helix	trans	-58.1	-39.9	173.5	-72.8	-4.5	0	0	0	110.1	K40 N48	K40-D44 IonicContact NZ-OD1 2.87Å; K40-D44 PolarHBondContact NZ-OD1 3.11Å; K40-D44 IonicContact NZ-OD2 2.61Å; K40-D44 PolarHBondContact NZ-OD2 2.98Å; K40-D44 WeakPolarHBondContact O-CB 3.22Å; K40-D44 PolarHBondContact O-N 2.81Å; D44-N48 WeakPolarHBondContact O-CB 2.89Å; D44-N48 VanDerWaalsContact O-CG 3.26Å; D44-N48 PolarHBondContact O-N 3.31Å; D44-N48 PolarHBondContact O-ND2 3.13Å
45	Y	52	Low	47.8	Very low	110 Å²	110	87 Å²	87	43%	0.431	43%	0.429	S	S	.	.	H	α-helix	trans	-61.1	-50.7	173.5	177.9	-96.2	0	0	0	111	D41 L42 L43 N48 Q49	D41-Y45 VanDerWaalsContact O-CB 3.27Å; D41-Y45 WeakPolarHBondContact O-CB 3.44Å; D41-Y45 PolarHBondContact O-N 3.02Å; L42-Y45 WeakPolarHBondContact O-CB 3.17Å; L42-Y45 PolarHBondContact O-N 3.11Å; L43-Y45 PolarHBondContact O-N 2.96Å; Y45-N48 PolarHBondContact O-N 3.28Å; Y45-Q49 HydrophobicContact CD1-CG 4.06Å; Y45-Q49 HydrophobicContact CD2-CG 4.25Å; Y45-Q49 HydrophobicContact CE1-CG 3.67Å; Y45-Q49 HydrophobicContact CE2-CG 3.88Å; Y45-Q49 HydrophobicContact CG-CG 4.33Å; Y45-Q49 WeakPolarHBondContact O-CB 3.46Å; Y45-Q49 VanDerWaalsContact O-CG 3.25Å; Y45-Q49 WeakPolarHBondContact O-CG 3.26Å; Y45-Q49 PolarHBondContact O-N 3Å
46	L	50.1	Low	48.3	Very low	52 Å²	52	81.3 Å²	81.3	27%	0.272	41%	0.405	S	S	.	.	H	α-helix	trans	-60	-48.1	-179.7	-70.9	167.5	0	0	0	112.3	L42 L43 Q49 T50 F56	L42-L46 HydrophobicContact CG-CD1 4.33Å; L42-L46 VanDerWaalsContact O-CG 3.24Å; L42-L46 WeakPolarHBondContact O-CG 3.46Å; L42-L46 PolarHBondContact O-N 2.99Å; L43-L46 PolarHBondContact O-N 3.2Å; L43-L46 VanDerWaalsContact O-N 3.11Å; L46-Q49 PolarHBondContact O-N 2.87Å; L46-T50 WeakPolarHBondContact O-CG2 3.46Å; L46-T50 PolarHBondContact O-N 3.01Å; L46-T50 PolarHBondContact O-OG1 3.25Å; L46-T50 VanDerWaalsContact O-OG1 3.05Å; L46-F56 HydrophobicContact CB-CD2 4.18Å; L46-F56 HydrophobicContact CB-CE2 3.81Å; L46-F56 HydrophobicContact CD1-CD2 4.43Å; L46-F56 HydrophobicContact CD1-CE2 3.75Å; L46-F56 HydrophobicContact CD1-CZ 4.24Å; L46-F56 HydrophobicContact CG-CE2 4.33Å
47	N	49	Very low	48.5	Very low	25 Å²	25	81.8 Å²	81.8	13%	0.134	40%	0.403	C	S	.	.	H	α-helix	trans	-62.7	-43.4	178.3	-73	-3.2	0	0	0	111.8	L43 Q49 T50 K51 D52 E53 F56	L43-N47 PolarHBondContact O-N 2.94Å; N47-Q49 VanDerWaalsContact C-N 3.35Å; N47-Q49 PolarHBondContact O-N 2.84Å; N47-T50 PolarHBondContact O-N 3.05Å; N47-T50 PolarHBondContact O-OG1 2.77Å; N47-K51 PolarHBondContact O-N 2.94Å; N47-D52 PolarHBondContact O-N 3.01Å; N47-E53 PolarHBondContact ND2-O 3.07Å; N47-F56 WeakPolarHBondContact OD1-CD2 2.98Å; N47-F56 PolarHBondContact OD1-N 2.9Å
48	N	52.8	Low	48.6	Very low	122 Å²	122	86.1 Å²	86.1	65%	0.652	42%	0.417	S	S	*	.	H	α-helix	trans	-62.6	-40	175.3	-81.3	-37.4	0	0	0	112.2	D44 Y45 K51	D44-N48 WeakPolarHBondContact O-CB 2.89Å; D44-N48 VanDerWaalsContact O-CG 3.26Å; D44-N48 PolarHBondContact O-N 3.31Å; D44-N48 PolarHBondContact O-ND2 3.13Å; Y45-N48 PolarHBondContact O-N 3.28Å; N48-K51 PolarHBondContact O-N 2.65Å
49	Q	47.9	Very low	48.4	Very low	118 Å²	118	89.4 Å²	89.4	55%	0.551	43%	0.427	S	S	*	.	H	α-helix	trans	-69.4	-36.9	179.1	-70.9	-38.2	-62	0	0	112.2	Y45 L46 N47 K51	Y45-Q49 HydrophobicContact CD1-CG 4.06Å; Y45-Q49 HydrophobicContact CD2-CG 4.25Å; Y45-Q49 HydrophobicContact CE1-CG 3.67Å; Y45-Q49 HydrophobicContact CE2-CG 3.88Å; Y45-Q49 HydrophobicContact CG-CG 4.33Å; Y45-Q49 WeakPolarHBondContact O-CB 3.46Å; Y45-Q49 VanDerWaalsContact O-CG 3.25Å; Y45-Q49 WeakPolarHBondContact O-CG 3.26Å; Y45-Q49 PolarHBondContact O-N 3Å; L46-Q49 PolarHBondContact O-N 2.87Å; N47-Q49 VanDerWaalsContact C-N 3.35Å; N47-Q49 PolarHBondContact O-N 2.84Å; Q49-K51 PolarHBondContact O-N 2.99Å
50	T	49	Very low	48.1	Very low	59 Å²	59	92.9 Å²	92.9	36%	0.362	45%	0.445	S	S	.	.	H	α-helix	trans	-76.4	-6.8	178.3	55.2	0	0	0	0	113.1	L46 N47 D52 L55	L46-T50 WeakPolarHBondContact O-CG2 3.46Å; L46-T50 PolarHBondContact O-N 3.01Å; L46-T50 PolarHBondContact O-OG1 3.25Å; L46-T50 VanDerWaalsContact O-OG1 3.05Å; N47-T50 PolarHBondContact O-N 3.05Å; N47-T50 PolarHBondContact O-OG1 2.77Å; T50-D52 PolarHBondContact O-N 2.88Å; T50-D52 VanDerWaalsContact O-N 3.08Å; T50-D52 WeakPolarHBondContact OG1-CB 3.28Å; T50-L55 HydrophobicContact CG2-CD2 3.33Å
51	K	52.6	Low	47.5	Very low	195 Å²	195	93 Å²	93	85%	0.848	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	27	-169.4	-56.8	-177.7	-179.3	-179.5	0	112	N47 N48 Q49	N47-K51 PolarHBondContact O-N 2.94Å; N48-K51 PolarHBondContact O-N 2.65Å; Q49-K51 PolarHBondContact O-N 2.99Å
52	D	43.1	Very low	47	Very low	58 Å²	58	92.1 Å²	92.1	31%	0.31	46%	0.457	S	S	.	.			trans	-119.8	101.8	-175.1	-158.8	-9.2	0	0	0	102.9	N47 T50 D54 L55	N47-D52 PolarHBondContact O-N 3.01Å; T50-D52 PolarHBondContact O-N 2.88Å; T50-D52 VanDerWaalsContact O-N 3.08Å; T50-D52 WeakPolarHBondContact OG1-CB 3.28Å; D52-D54 PolarHBondContact O-N 3.5Å; D52-L55 HydrophobicContact CB-CB 4.15Å; D52-L55 PolarHBondContact O-N 2.98Å
53	E	51.7	Low	45.9	Very low	169 Å²	169	94.7 Å²	94.7	79%	0.79	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-26.5	-172.7	-67.9	-177.4	167.8	0	0	110.8	N47	N47-E53 PolarHBondContact ND2-O 3.07Å
54	D	48.6	Very low	45.2	Very low	99 Å²	99	99.6 Å²	99.6	53%	0.529	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	27.6	-170.3	-60.7	-41.8	0	0	0	114.2	D52 F56 E57	D52-D54 PolarHBondContact O-N 3.5Å; D54-F56 PolarHBondContact O-N 3.36Å; D54-F56 VanDerWaalsContact O-N 3.08Å; D54-E57 HydrophobicContact CB-CG 4.26Å
55	L	42.5	Very low	44.3	Very low	14 Å²	14	102.3 Å²	102.3	7%	0.073	53%	0.526	C	S	.	.	S	Bend	trans	-54.3	-35.1	178.6	-177.6	64.6	0	0	0	112.1	T50 D52 T78 M79 G80	T50-L55 HydrophobicContact CG2-CD2 3.33Å; D52-L55 HydrophobicContact CB-CB 4.15Å; D52-L55 PolarHBondContact O-N 2.98Å; L55-T78 VanDerWaalsContact O-O 3.07Å; L55-M79 HydrophobicContact CD1-CE 4.06Å; L55-M79 HydrophobicContact CD1-CG 3.88Å; L55-M79 HydrophobicContact CD2-CE 4.32Å; L55-M79 HydrophobicContact CG-CG 4.39Å; L55-M79 WeakPolarHBondContact O-CA 3.16Å; L55-G80 PolarHBondContact O-N 3.06Å
56	F	42	Very low	43.4	Very low	39 Å²	39	99.1 Å²	99.1	17%	0.171	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	95.4	171.7	-65	-74.4	0	0	0	110.2	L43 L46 N47 D54 R58 F77	L43-F56 HydrophobicContact CD2-CB 3.89Å; L43-F56 HydrophobicContact CD2-CD1 4.35Å; L43-F56 HydrophobicContact CD2-CD2 4.02Å; L43-F56 HydrophobicContact CD2-CG 3.82Å; L46-F56 HydrophobicContact CB-CD2 4.18Å; L46-F56 HydrophobicContact CB-CE2 3.81Å; L46-F56 HydrophobicContact CD1-CD2 4.43Å; L46-F56 HydrophobicContact CD1-CE2 3.75Å; L46-F56 HydrophobicContact CD1-CZ 4.24Å; L46-F56 HydrophobicContact CG-CE2 4.33Å; N47-F56 WeakPolarHBondContact OD1-CD2 2.98Å; N47-F56 PolarHBondContact OD1-N 2.9Å; D54-F56 PolarHBondContact O-N 3.36Å; D54-F56 VanDerWaalsContact O-N 3.08Å; F56-R58 PolarHBondContact O-N 3.18Å; F56-F77 HydrophobicContact CB-CB 4.05Å; F56-F77 HydrophobicContact CB-CD1 3.91Å; F56-F77 HydrophobicContact CB-CG 4.29Å; F56-F77 HydrophobicContact CD1-CB 3.99Å; F56-F77 HydrophobicContact CG-CB 4.44Å
57	E	45.2	Very low	42.4	Very low	121 Å²	121	107 Å²	107	57%	0.565	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.1	123.1	169.9	-72	-178.3	-169.8	0	0	109.9	D54 K59 F77	D54-E57 HydrophobicContact CB-CG 4.26Å; E57-K59 PolarHBondContact O-N 3.15Å; E57-F77 WeakPolarHBondContact O-CA 3.29Å
58	R	40.8	Very low	41.5	Very low	129 Å²	129	109 Å²	109	49%	0.487	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-67.5	117.9	168.9	-166.8	179.8	-171.5	-159.7	-2.3	107.9	F56 N60 E73 S75 W76 F77	F56-R58 PolarHBondContact O-N 3.18Å; R58-N60 PolarHBondContact O-N 2.89Å; R58-E73 IonicContact NH2-OE2 3.51Å; R58-E73 PolarHBondContact NH2-OE2 3.16Å; R58-E73 VanDerWaalsContact NH2-OE2 3.11Å; R58-S75 PolarHBondContact NE-OG 3.32Å; R58-S75 PolarHBondContact NH2-OG 2.64Å; R58-W76 CarbonylContact C-O 3.37Å; R58-W76 WeakPolarHBondContact CA-O 3.23Å; R58-F77 HydrophobicContact CB-CD1 4.28Å; R58-F77 HydrophobicContact CB-CE1 3.72Å; R58-F77 HydrophobicContact CB-CZ 4.43Å; R58-F77 HydrophobicContact CG-CE1 3.92Å; R58-F77 HydrophobicContact CG-CZ 4.12Å
59	K	42.6	Very low	40.9	Very low	126 Å²	126	109.3 Å²	109.3	55%	0.548	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.1	117.6	164.8	-71.3	-169.2	174.8	-176.1	0	108.1	E57 E61 W76	E57-K59 PolarHBondContact O-N 3.15Å; K59-E61 PolarHBondContact O-N 3.45Å; K59-W76 HydrophobicContact CB-CB 4.15Å; K59-W76 PolarHBondContact N-O 3.31Å
60	N	41.3	Very low	40	Very low	143 Å²	143	111.1 Å²	111.1	77%	0.765	60%	0.596	S	S	*	*			trans	-65.8	99.9	162.8	-66.6	-33.6	0	0	0	107	R58	R58-N60 PolarHBondContact O-N 2.89Å
61	E	39	Very low	39.2	Very low	120 Å²	120	113 Å²	113	56%	0.561	60%	0.601	S	S	*	*			trans	-67.3	137.6	163.1	-71.6	-161.7	146.2	0	0	108.4	K59 W76	K59-E61 PolarHBondContact O-N 3.45Å; E61-W76 HydrophobicContact CG-CG 4.44Å; E61-W76 VanDerWaalsContact OE1-CD1 3.28Å; E61-W76 PolarHBondContact OE1-NE1 3.4Å; E61-W76 VanDerWaalsContact OE2-CD1 3.27Å; E61-W76 PolarHBondContact OE2-NE1 2.94Å
62	G	38.8	Very low	38.1	Very low	58 Å²	58	106.7 Å²	106.7	60%	0.598	58%	0.579	S	S	*	*			trans	-52.3	154.7	-169.2	0	0	0	0	0	113.3	N64	G62-N64 PolarHBondContact O-N 3.45Å
63	T	30.8	Very low	37.7	Very low	143 Å²	143	111.2 Å²	111.2	88%	0.877	60%	0.598	S	S	*	*			trans	-41.9	100.6	174.4	36.8	0	0	0	0	111.8	S65	T63-S65 VanDerWaalsContact C-N 3.33Å; T63-S65 PolarHBondContact O-N 3.48Å
64	N	35.5	Very low	36.9	Very low	126 Å²	126	106 Å²	106	67%	0.674	58%	0.577	S	S	*	*			trans	-66.1	97.5	164.1	-81.3	-0.1	0	0	0	107.1	G62 G66 E71	G62-N64 PolarHBondContact O-N 3.45Å; N64-G66 PolarHBondContact O-N 2.88Å; N64-E71 PolarHBondContact ND2-OE2 3.36Å
65	S	35.7	Very low	36.2	Very low	122 Å²	122	102.4 Å²	102.4	85%	0.853	56%	0.56	S	S	*	*			trans	-76.7	10.2	172.1	62.8	0	0	0	0	112.8	T63	T63-S65 VanDerWaalsContact C-N 3.33Å; T63-S65 PolarHBondContact O-N 3.48Å
66	G	33.1	Very low	35.9	Very low	44 Å²	44	107.5 Å²	107.5	45%	0.454	58%	0.579	S	S	.	*			trans	-95.3	105	174.6	0	0	0	0	0	109.8	N64 S68	N64-G66 PolarHBondContact O-N 2.88Å; G66-S68 PolarHBondContact O-N 3.26Å
67	K	27.7	Very low	35.7	Very low	216 Å²	216	108.9 Å²	108.9	94%	0.939	59%	0.585	S	S	*	*			trans	-66.8	80	167	-69.4	179.2	177.7	177.8	0	109.1
68	S	32	Very low	35.3	Very low	69 Å²	69	106.1 Å²	106.1	48%	0.483	58%	0.576	S	S	.	*			trans	-94.1	133.4	161.7	-152.5	0	0	0	0	108.2	G66 I70 E71	G66-S68 PolarHBondContact O-N 3.26Å; S68-I70 VanDerWaalsContact C-N 3.26Å; S68-I70 PolarHBondContact O-N 3.29Å; S68-I70 VanDerWaalsContact O-N 3.09Å; S68-E71 WeakPolarHBondContact CB-OE1 3.08Å
69	P	38.1	Very low	34.9	Very low	128 Å²	128	103.3 Å²	103.3	83%	0.831	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-11.3	-158.7	-19.1	32.4	0	0	0	115.9
70	I	31	Very low	34.6	Very low	155 Å²	155	100 Å²	100	80%	0.795	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150	59.7	-179	-44.8	173.6	0	0	0	108.6	S68 T72	S68-I70 VanDerWaalsContact C-N 3.26Å; S68-I70 PolarHBondContact O-N 3.29Å; S68-I70 VanDerWaalsContact O-N 3.09Å; I70-T72 PolarHBondContact O-N 3.43Å
71	E	31.3	Very low	34.2	Very low	99 Å²	99	102.7 Å²	102.7	46%	0.463	57%	0.571	S	S	.	*			trans	-81.3	108.2	166.3	-85.4	175.1	-154.5	0	0	108.3	N64 S68 E73	N64-E71 PolarHBondContact ND2-OE2 3.36Å; S68-E71 WeakPolarHBondContact CB-OE1 3.08Å; E71-E73 PolarHBondContact O-N 3.48Å; E71-E73 VanDerWaalsContact O-N 3.16Å
72	T	30.2	Very low	34	Very low	63 Å²	63	104.9 Å²	104.9	39%	0.387	58%	0.578	S	S	.	*			trans	-58.4	115.4	165	25.7	0	0	0	0	108.7	I70 T74	I70-T72 PolarHBondContact O-N 3.43Å; T72-T74 VanDerWaalsContact C-N 3.34Å; T72-T74 PolarHBondContact O-N 2.82Å
73	E	33.2	Very low	33.9	Very low	153 Å²	153	104.4 Å²	104.4	72%	0.715	57%	0.569	S	S	*	*			trans	-60.4	93.7	173.9	-72	-174.8	-172.4	0	0	109.6	R58 E71 S75	R58-E73 IonicContact NH2-OE2 3.51Å; R58-E73 PolarHBondContact NH2-OE2 3.16Å; R58-E73 VanDerWaalsContact NH2-OE2 3.11Å; E71-E73 PolarHBondContact O-N 3.48Å; E71-E73 VanDerWaalsContact O-N 3.16Å; E73-S75 PolarHBondContact O-N 2.81Å; E73-S75 VanDerWaalsContact O-N 3.12Å
74	T	36.1	Very low	34.1	Very low	58 Å²	58	104.1 Å²	104.1	36%	0.356	56%	0.562	S	S	.	*			trans	-67.4	111.5	173.2	-65.8	0	0	0	0	108	T72 W76	T72-T74 VanDerWaalsContact C-N 3.34Å; T72-T74 PolarHBondContact O-N 2.82Å; T74-W76 HydrophobicContact CG2-CZ2 4.48Å
75	S	34.1	Very low	34.3	Very low	25 Å²	25	99.5 Å²	99.5	18%	0.175	54%	0.537	C	S	.	.			trans	-91.6	127.3	177.3	-62.7	0	0	0	0	110.3	R58 E73 F77	R58-S75 PolarHBondContact NE-OG 3.32Å; R58-S75 PolarHBondContact NH2-OG 2.64Å; E73-S75 PolarHBondContact O-N 2.81Å; E73-S75 VanDerWaalsContact O-N 3.12Å; S75-F77 VanDerWaalsContact CB-CZ 3.44Å; S75-F77 WeakPolarHBondContact O-CD2 3.28Å; S75-F77 VanDerWaalsContact O-CE2 3.26Å; S75-F77 WeakPolarHBondContact O-CE2 2.94Å
76	W	34.6	Very low	34.6	Very low	121 Å²	121	96.4 Å²	96.4	46%	0.458	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139.1	-179.9	-64.7	82.9	0	0	0	110.8	R58 K59 E61 T74	R58-W76 CarbonylContact C-O 3.37Å; R58-W76 WeakPolarHBondContact CA-O 3.23Å; K59-W76 HydrophobicContact CB-CB 4.15Å; K59-W76 PolarHBondContact N-O 3.31Å; E61-W76 HydrophobicContact CG-CG 4.44Å; E61-W76 VanDerWaalsContact OE1-CD1 3.28Å; E61-W76 PolarHBondContact OE1-NE1 3.4Å; E61-W76 VanDerWaalsContact OE2-CD1 3.27Å; E61-W76 PolarHBondContact OE2-NE1 2.94Å; T74-W76 HydrophobicContact CG2-CZ2 4.48Å
77	F	38.7	Very low	35.1	Very low	67 Å²	67	100.4 Å²	100.4	29%	0.294	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.7	-176.8	-57.4	-84.3	0	0	0	111.6	L43 F56 E57 R58 S75	L43-F77 HydrophobicContact CD1-CD1 4.05Å; L43-F77 HydrophobicContact CD1-CD2 3.81Å; L43-F77 HydrophobicContact CD1-CE1 3.5Å; L43-F77 VanDerWaalsContact CD1-CE1 3.5Å; L43-F77 HydrophobicContact CD1-CE2 3.24Å; L43-F77 HydrophobicContact CD1-CG 4.19Å; L43-F77 HydrophobicContact CD1-CZ 3.08Å; L43-F77 HydrophobicContact CD2-CD1 4.09Å; L43-F77 HydrophobicContact CD2-CD2 4.18Å; L43-F77 HydrophobicContact CD2-CE1 4.35Å; L43-F77 HydrophobicContact CD2-CE2 4.45Å; L43-F77 HydrophobicContact CD2-CG 4.02Å; L43-F77 HydrophobicContact CG-CE1 4.48Å; L43-F77 HydrophobicContact CG-CE2 4.47Å; L43-F77 HydrophobicContact CG-CZ 4.38Å; F56-F77 HydrophobicContact CB-CB 4.05Å; F56-F77 HydrophobicContact CB-CD1 3.91Å; F56-F77 HydrophobicContact CB-CG 4.29Å; F56-F77 HydrophobicContact CD1-CB 3.99Å; F56-F77 HydrophobicContact CG-CB 4.44Å; E57-F77 WeakPolarHBondContact O-CA 3.29Å; R58-F77 HydrophobicContact CB-CD1 4.28Å; R58-F77 HydrophobicContact CB-CE1 3.72Å; R58-F77 HydrophobicContact CB-CZ 4.43Å; R58-F77 HydrophobicContact CG-CE1 3.92Å; R58-F77 HydrophobicContact CG-CZ 4.12Å; S75-F77 VanDerWaalsContact CB-CZ 3.44Å; S75-F77 WeakPolarHBondContact O-CD2 3.28Å; S75-F77 VanDerWaalsContact O-CE2 3.26Å; S75-F77 WeakPolarHBondContact O-CE2 2.94Å
78	T	36.6	Very low	36.4	Very low	63 Å²	63	97.1 Å²	97.1	39%	0.387	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.7	175.8	52.9	0	0	0	0	111.2	L55	L55-T78 VanDerWaalsContact O-O 3.07Å
79	M	32.2	Very low	37	Very low	71 Å²	71	96.1 Å²	96.1	35%	0.35	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	132.7	-177.9	-163.3	177.1	-166.7	0	0	112.6	L55 W138	L55-M79 HydrophobicContact CD1-CE 4.06Å; L55-M79 HydrophobicContact CD1-CG 3.88Å; L55-M79 HydrophobicContact CD2-CE 4.32Å; L55-M79 HydrophobicContact CG-CG 4.39Å; L55-M79 WeakPolarHBondContact O-CA 3.16Å; M79-W138 HydrophobicContact SD-CZ2 4.38Å; M79-W138 PolarHBondContact SD-NE1 3.12Å
80	G	36.2	Very low	37.2	Very low	57 Å²	57	92.7 Å²	92.7	59%	0.588	46%	0.463	S	S	*	.			trans	-75.5	-22.6	-175.7	0	0	0	0	0	117.4	L55	L55-G80 PolarHBondContact O-N 3.06Å
81	R	33.2	Very low	37.8	Very low	198 Å²	198	90.2 Å²	90.2	75%	0.747	45%	0.45	S	S	*	.			trans	-146.3	162.1	-173.4	-62.9	-173	-176.2	-173.8	4	115
82	K	34.8	Very low	38.7	Very low	166 Å²	166	90.6 Å²	90.6	72%	0.722	45%	0.45	S	S	*	.			trans	-112.7	136.8	-169.5	-62.5	165.4	169.1	174.5	0	112.4	R137	K82-R137 VanDerWaalsContact CE-NH1 3.32Å
83	A	36.5	Very low	39.3	Very low	49 Å²	49	92 Å²	92	41%	0.405	45%	0.451	S	S	.	.			trans	-132.5	-167.2	166	0	0	0	0	0	110.6	R137	A83-R137 VanDerWaalsContact C-C 3.49Å; A83-R137 CarbonylContact C-O 3.37Å; A83-R137 WeakPolarHBondContact CA-O 3.31Å; A83-R137 VanDerWaalsContact CB-O 3.28Å; A83-R137 WeakPolarHBondContact CB-O 3.24Å; A83-R137 PolarHBondContact N-O 2.7Å; A83-R137 CarbonylContact O-C 3.39Å; A83-R137 WeakPolarHBondContact O-CA 3.39Å; A83-R137 WeakPolarHBondContact O-CB 3.48Å
84	N	36	Very low	39.8	Very low	136 Å²	136	90.6 Å²	90.6	73%	0.727	44%	0.442	S	S	*	.			trans	-143.4	144.4	-178.6	-74.4	-30.9	0	0	0	112.2	W138	N84-W138 CarbonylContact C-O 3.58Å
85	L	38.8	Very low	40.4	Very low	30 Å²	30	93.3 Å²	93.3	16%	0.157	46%	0.455	C	S	.	.			trans	-132.1	164.3	175.8	-85.4	159	0	0	0	114.5	E89 K136 W138 N139 I140	L85-E89 HydrophobicContact CD2-CB 3.79Å; L85-E89 VanDerWaalsContact CD2-CD 3.47Å; L85-E89 HydrophobicContact CD2-CG 4.21Å; L85-E89 WeakPolarHBondContact CD2-OE2 3.42Å; L85-K136 PolarHBondContact N-O 3.19Å; L85-W138 HydrophobicContact CD1-CB 4.13Å; L85-W138 WeakPolarHBondContact CD1-O 3.38Å; L85-W138 WeakPolarHBondContact CG-O 3.17Å; L85-N139 HydrophobicContact CD2-CB 4.44Å; L85-I140 HydrophobicContact CD1-CB 3.98Å; L85-I140 HydrophobicContact CD1-CD1 4Å; L85-I140 HydrophobicContact CD1-CG1 3.73Å
86	T	41.5	Very low	40.9	Very low	56 Å²	56	97.3 Å²	97.3	34%	0.344	48%	0.475	S	S	.	.			trans	-107.7	154	173.7	71.8	0	0	0	0	112.9	R88 E89	T86-R88 PolarHBondContact O-N 2.71Å; T86-R88 VanDerWaalsContact O-N 3.16Å; T86-E89 WeakPolarHBondContact CA-OE2 3.48Å; T86-E89 WeakPolarHBondContact CB-OE2 3.24Å; T86-E89 PolarHBondContact N-OE2 3.18Å; T86-E89 WeakPolarHBondContact O-CB 3.27Å; T86-E89 PolarHBondContact O-N 2.9Å; T86-E89 VanDerWaalsContact O-N 3.1Å; T86-E89 VanDerWaalsContact OG1-CD 3.22Å; T86-E89 WeakPolarHBondContact OG1-CG 3.46Å; T86-E89 PolarHBondContact OG1-OE2 3.41Å
87	Q	43.7	Very low	41.3	Very low	128 Å²	128	95 Å²	95	60%	0.598	47%	0.469	S	S	*	.	H	α-helix	trans	-58.4	-28.5	-176.9	-172.1	177.5	11.7	0	0	114.5	E89 I90 M91	Q87-E89 VanDerWaalsContact C-N 3.27Å; Q87-E89 PolarHBondContact O-N 2.72Å; Q87-I90 PolarHBondContact O-N 3.01Å; Q87-M91 PolarHBondContact O-N 2.96Å
88	R	56	Low	41.6	Very low	148 Å²	148	98.3 Å²	98.3	56%	0.558	49%	0.489	S	S	*	.	H	α-helix	trans	-64.4	-35	178.6	-165.4	-170.9	-45.1	134.6	13.3	111.9	T86	T86-R88 PolarHBondContact O-N 2.71Å; T86-R88 VanDerWaalsContact O-N 3.16Å
89	E	44.7	Very low	42.2	Very low	48 Å²	48	101.4 Å²	101.4	22%	0.224	50%	0.503	C	S	.	.	H	α-helix	trans	-76.1	-34.1	-177.2	-58.9	166.7	133.5	0	0	109.9	L85 T86 Q87 D141	L85-E89 HydrophobicContact CD2-CB 3.79Å; L85-E89 VanDerWaalsContact CD2-CD 3.47Å; L85-E89 HydrophobicContact CD2-CG 4.21Å; L85-E89 WeakPolarHBondContact CD2-OE2 3.42Å; T86-E89 WeakPolarHBondContact CA-OE2 3.48Å; T86-E89 WeakPolarHBondContact CB-OE2 3.24Å; T86-E89 PolarHBondContact N-OE2 3.18Å; T86-E89 WeakPolarHBondContact O-CB 3.27Å; T86-E89 PolarHBondContact O-N 2.9Å; T86-E89 VanDerWaalsContact O-N 3.1Å; T86-E89 VanDerWaalsContact OG1-CD 3.22Å; T86-E89 WeakPolarHBondContact OG1-CG 3.46Å; T86-E89 PolarHBondContact OG1-OE2 3.41Å; Q87-E89 VanDerWaalsContact C-N 3.27Å; Q87-E89 PolarHBondContact O-N 2.72Å; E89-D141 WeakPolarHBondContact CG-OD2 3.27Å
90	I	42.1	Very low	42.9	Very low	55 Å²	55	101.6 Å²	101.6	28%	0.282	51%	0.505	S	S	.	.	H	α-helix	trans	-65.3	-44.6	174.7	-60.3	174.5	0	0	0	111.8	Q87 K92 F93 F94	Q87-I90 PolarHBondContact O-N 3.01Å; I90-K92 VanDerWaalsContact C-N 3.31Å; I90-K92 PolarHBondContact O-N 2.74Å; I90-F93 PolarHBondContact O-N 3.09Å; I90-F94 HydrophobicContact CG2-CD2 4.25Å; I90-F94 HydrophobicContact CG2-CE2 3.99Å; I90-F94 WeakPolarHBondContact O-CD2 3.23Å
91	M	44.4	Very low	43.3	Very low	104 Å²	104	103.7 Å²	103.7	51%	0.512	50%	0.503	S	S	.	.	H	α-helix	trans	-65.2	-35.6	-176	-69.3	-60.5	-172.6	0	0	112.4	Q87 F93 F94 D95	Q87-M91 PolarHBondContact O-N 2.96Å; M91-F93 VanDerWaalsContact C-N 3.34Å; M91-F93 PolarHBondContact O-N 3.46Å; M91-F94 PolarHBondContact O-N 2.77Å; M91-D95 PolarHBondContact O-N 3.27Å
92	K	49.3	Very low	44.1	Very low	107 Å²	107	98.5 Å²	98.5	47%	0.465	49%	0.49	S	S	.	.	H	α-helix	trans	-63.1	-37.8	178.3	-169.3	-179.2	175.7	-170.6	0	113	I90 F94 D95 D96	I90-K92 VanDerWaalsContact C-N 3.31Å; I90-K92 PolarHBondContact O-N 2.74Å; K92-F94 VanDerWaalsContact C-N 3.26Å; K92-F94 PolarHBondContact O-N 3.24Å; K92-D95 PolarHBondContact O-N 2.73Å; K92-D96 PolarHBondContact O-N 3.42Å; K92-D96 VanDerWaalsContact O-N 3.15Å
93	F	42.7	Very low	44.6	Very low	91 Å²	91	95.4 Å²	95.4	40%	0.399	48%	0.48	S	S	.	.	H	α-helix	trans	-62.4	-32.8	178	176.7	-97.3	0	0	0	113.1	I90 M91 Q97 I140	I90-F93 PolarHBondContact O-N 3.09Å; M91-F93 VanDerWaalsContact C-N 3.34Å; M91-F93 PolarHBondContact O-N 3.46Å; F93-Q97 WeakPolarHBondContact O-CG 3.23Å; F93-I140 HydrophobicContact CD2-CG2 4.17Å
94	F	44.2	Very low	44.8	Very low	124 Å²	124	96.7 Å²	96.7	54%	0.544	48%	0.48	S	S	.	.	H	α-helix	trans	-85.3	-34.3	177.7	-71.4	-70.6	0	0	0	112.6	I90 M91 K92 D96 Q97	I90-F94 HydrophobicContact CG2-CD2 4.25Å; I90-F94 HydrophobicContact CG2-CE2 3.99Å; I90-F94 WeakPolarHBondContact O-CD2 3.23Å; M91-F94 PolarHBondContact O-N 2.77Å; K92-F94 VanDerWaalsContact C-N 3.26Å; K92-F94 PolarHBondContact O-N 3.24Å; F94-D96 VanDerWaalsContact C-N 3.3Å; F94-D96 PolarHBondContact O-N 3.31Å; F94-Q97 WeakPolarHBondContact O-CB 3.27Å; F94-Q97 PolarHBondContact O-N 2.87Å; F94-Q97 VanDerWaalsContact O-N 3.12Å
95	D	48.1	Very low	45.3	Very low	115 Å²	115	96.4 Å²	96.4	62%	0.615	47%	0.472	S	S	*	.	H	α-helix	trans	-65.7	-32.4	177	-75.8	-15.2	0	0	0	112.3	M91 K92 Q97	M91-D95 PolarHBondContact O-N 3.27Å; K92-D95 PolarHBondContact O-N 2.73Å; D95-Q97 PolarHBondContact O-N 2.99Å
96	D	43.9	Very low	45.7	Very low	110 Å²	110	100.3 Å²	100.3	59%	0.588	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	1.8	174.8	-71.3	-17.1	0	0	0	113.2	K92 F94	K92-D96 PolarHBondContact O-N 3.42Å; K92-D96 VanDerWaalsContact O-N 3.15Å; F94-D96 VanDerWaalsContact C-N 3.3Å; F94-D96 PolarHBondContact O-N 3.31Å
97	Q	44.6	Very low	45.6	Very low	73 Å²	73	102.7 Å²	102.7	34%	0.341	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	5.3	179.7	-61.2	-138.8	-19.5	0	0	115.7	F93 F94 D95 D99 L100	F93-Q97 WeakPolarHBondContact O-CG 3.23Å; F94-Q97 WeakPolarHBondContact O-CB 3.27Å; F94-Q97 PolarHBondContact O-N 2.87Å; F94-Q97 VanDerWaalsContact O-N 3.12Å; D95-Q97 PolarHBondContact O-N 2.99Å; Q97-D99 PolarHBondContact O-N 2.92Å; Q97-D99 VanDerWaalsContact O-N 3.1Å; Q97-L100 HydrophobicContact CB-CB 4.45Å; Q97-L100 WeakPolarHBondContact O-CB 3.34Å; Q97-L100 PolarHBondContact O-N 2.86Å
98	L	44.4	Very low	45.1	Very low	135 Å²	135	101.9 Å²	101.9	71%	0.707	51%	0.511	S	S	*	.	H	α-helix	trans	-52.1	-33	170.9	-79.4	163.5	0	0	0	111.9	L100 D102	L98-L100 PolarHBondContact O-N 3.16Å; L98-D102 PolarHBondContact O-N 3.09Å
99	D	48.3	Very low	44.1	Very low	128 Å²	128	100.3 Å²	100.3	68%	0.684	52%	0.52	S	S	*	.	H	α-helix	trans	-69.1	-29.3	177.3	-69.7	-12.5	0	0	0	113.3	Q97 L103	Q97-D99 PolarHBondContact O-N 2.92Å; Q97-D99 VanDerWaalsContact O-N 3.1Å; D99-L103 WeakPolarHBondContact O-CB 3.41Å; D99-L103 PolarHBondContact O-N 3.43Å
100	L	46.8	Very low	43.7	Very low	76 Å²	76	104.4 Å²	104.4	40%	0.398	55%	0.549	S	S	.	.	H	α-helix	trans	-71.9	-41.6	-179	-178.1	62.8	0	0	0	111.1	Q97 L98 L103 L104	Q97-L100 HydrophobicContact CB-CB 4.45Å; Q97-L100 WeakPolarHBondContact O-CB 3.34Å; Q97-L100 PolarHBondContact O-N 2.86Å; L98-L100 PolarHBondContact O-N 3.16Å; L100-L103 PolarHBondContact O-N 3.1Å; L100-L104 HydrophobicContact CD1-CD1 4.35Å; L100-L104 HydrophobicContact CD1-CG 4.31Å; L100-L104 HydrophobicContact CG-CD1 4Å; L100-L104 HydrophobicContact CG-CG 4.4Å; L100-L104 WeakPolarHBondContact O-CB 3.28Å; L100-L104 WeakPolarHBondContact O-CG 3.31Å; L100-L104 PolarHBondContact O-N 3.16Å
101	D	45.8	Very low	43	Very low	100 Å²	100	104.4 Å²	104.4	54%	0.535	56%	0.562	S	S	.	*	H	α-helix	trans	-65.3	-39.8	178.1	-94.8	-1.1	0	0	0	111.6	L104 K105	D101-L104 PolarHBondContact O-N 3.33Å; D101-K105 VanDerWaalsContact O-CG 3.32Å; D101-K105 WeakPolarHBondContact O-CG 3.14Å; D101-K105 PolarHBondContact O-N 3.08Å
102	D	48.6	Very low	42.3	Very low	90 Å²	90	106.1 Å²	106.1	48%	0.481	57%	0.572	S	S	.	*	H	α-helix	trans	-73.2	-34	176.9	-76.9	-12.8	0	0	0	112.6	L98 K105 T106	L98-D102 PolarHBondContact O-N 3.09Å; D102-K105 PolarHBondContact O-N 3.08Å; D102-K105 IonicContact OD1-NZ 2.81Å; D102-K105 PolarHBondContact OD1-NZ 3.39Å; D102-T106 PolarHBondContact O-N 3.43Å; D102-T106 PolarHBondContact O-OG1 2.94Å
103	L	46.2	Very low	41.4	Very low	100 Å²	100	110.3 Å²	110.3	52%	0.524	59%	0.593	S	S	.	*	H	α-helix	trans	-62.1	-46.8	168.4	-173.1	71.4	0	0	0	110.6	D99 L100 K105 T106 V107	D99-L103 WeakPolarHBondContact O-CB 3.41Å; D99-L103 PolarHBondContact O-N 3.43Å; L100-L103 PolarHBondContact O-N 3.1Å; L103-K105 VanDerWaalsContact C-N 3.31Å; L103-K105 PolarHBondContact O-N 2.74Å; L103-T106 WeakPolarHBondContact CA-OG1 3.45Å; L103-T106 PolarHBondContact O-N 2.71Å; L103-T106 PolarHBondContact O-OG1 3.49Å; L103-V107 HydrophobicContact CD1-CG2 4.41Å; L103-V107 HydrophobicContact CG-CG2 4.32Å; L103-V107 WeakPolarHBondContact O-CG2 3.26Å; L103-V107 PolarHBondContact O-N 3.45Å
104	L	41.1	Very low	40.8	Very low	77 Å²	77	114 Å²	114	40%	0.403	61%	0.609	S	S	.	*	H	α-helix	trans	-62.3	-38.5	179.4	-74.3	169.5	0	0	0	112	L100 D101 T106 V107 L108	L100-L104 HydrophobicContact CD1-CD1 4.35Å; L100-L104 HydrophobicContact CD1-CG 4.31Å; L100-L104 HydrophobicContact CG-CD1 4Å; L100-L104 HydrophobicContact CG-CG 4.4Å; L100-L104 WeakPolarHBondContact O-CB 3.28Å; L100-L104 WeakPolarHBondContact O-CG 3.31Å; L100-L104 PolarHBondContact O-N 3.16Å; D101-L104 PolarHBondContact O-N 3.33Å; L104-T106 VanDerWaalsContact C-N 3.27Å; L104-T106 PolarHBondContact O-N 3.3Å; L104-V107 PolarHBondContact O-N 3.27Å; L104-L108 HydrophobicContact CB-CD1 4.32Å; L104-L108 WeakPolarHBondContact O-CB 3.43Å; L104-L108 WeakPolarHBondContact O-CD1 3.32Å; L104-L108 WeakPolarHBondContact O-CG 3.39Å; L104-L108 PolarHBondContact O-N 3.42Å
105	K	46.8	Very low	40.2	Very low	129 Å²	129	113.8 Å²	113.8	56%	0.561	62%	0.62	S	S	*	*	H	α-helix	trans	-63.2	-31.3	173.5	-72.3	171.2	-158.8	155.1	0	113.2	D101 D102 L103	D101-K105 VanDerWaalsContact O-CG 3.32Å; D101-K105 WeakPolarHBondContact O-CG 3.14Å; D101-K105 PolarHBondContact O-N 3.08Å; D102-K105 PolarHBondContact O-N 3.08Å; D102-K105 IonicContact OD1-NZ 2.81Å; D102-K105 PolarHBondContact OD1-NZ 3.39Å; L103-K105 VanDerWaalsContact C-N 3.31Å; L103-K105 PolarHBondContact O-N 2.74Å
106	T	47.2	Very low	39.6	Very low	113 Å²	113	112.6 Å²	112.6	69%	0.693	62%	0.618	S	S	*	*	H	α-helix	trans	-82.6	-29.7	-179.5	41.2	0	0	0	0	113.3	D102 L103 L104	D102-T106 PolarHBondContact O-N 3.43Å; D102-T106 PolarHBondContact O-OG1 2.94Å; L103-T106 WeakPolarHBondContact CA-OG1 3.45Å; L103-T106 PolarHBondContact O-N 2.71Å; L103-T106 PolarHBondContact O-OG1 3.49Å; L104-T106 VanDerWaalsContact C-N 3.27Å; L104-T106 PolarHBondContact O-N 3.3Å
107	V	38.6	Very low	39.4	Very low	105 Å²	105	110.4 Å²	110.4	64%	0.636	61%	0.61	S	S	*	*	H	α-helix	trans	-91.1	-27.6	179	-156	0	0	0	0	112.8	L103 L104 P109	L103-V107 HydrophobicContact CD1-CG2 4.41Å; L103-V107 HydrophobicContact CG-CG2 4.32Å; L103-V107 WeakPolarHBondContact O-CG2 3.26Å; L103-V107 PolarHBondContact O-N 3.45Å; L104-V107 PolarHBondContact O-N 3.27Å; V107-P109 WeakPolarHBondContact O-CD 3.14Å
108	L	34.1	Very low	38.8	Very low	111 Å²	111	111.3 Å²	111.3	58%	0.581	61%	0.61	S	S	*	*	S	Bend	trans	-80.4	119.1	176.7	-66.5	170.2	0	0	0	109.5	L104 T110	L104-L108 HydrophobicContact CB-CD1 4.32Å; L104-L108 WeakPolarHBondContact O-CB 3.43Å; L104-L108 WeakPolarHBondContact O-CD1 3.32Å; L104-L108 WeakPolarHBondContact O-CG 3.39Å; L104-L108 PolarHBondContact O-N 3.42Å; L108-T110 PolarHBondContact O-N 2.96Å
109	P	33.5	Very low	38.4	Very low	115 Å²	115	110.3 Å²	110.3	75%	0.747	60%	0.602	S	S	*	*			trans	-62.4	106.3	178.9	22	-30.1	0	0	0	110.3	V107 G111	V107-P109 WeakPolarHBondContact O-CD 3.14Å; P109-G111 VanDerWaalsContact C-N 3.3Å; P109-G111 PolarHBondContact O-N 3.36Å
110	T	37	Very low	37.7	Very low	135 Å²	135	107.1 Å²	107.1	83%	0.828	59%	0.587	S	S	*	*	S	Bend	trans	-68.8	90.6	166	49.5	0	0	0	0	108.1	L108	L108-T110 PolarHBondContact O-N 2.96Å
111	G	28.3	Very low	37	Very low	54 Å²	54	107.9 Å²	107.9	56%	0.557	59%	0.591	S	S	*	*			trans	117.2	88.1	178.6	0	0	0	0	0	111.6	P109	P109-G111 VanDerWaalsContact C-N 3.3Å; P109-G111 PolarHBondContact O-N 3.36Å
112	I	29	Very low	36.1	Very low	141 Å²	141	104.6 Å²	104.6	72%	0.723	58%	0.576	S	S	*	*				-156.8	97.7	113.5	-82.2	139.9	0	0	0	103.1	K114	I112-K114 HydrophobicContact CG2-CB 4.39Å; I112-K114 HydrophobicContact CG2-CD 4.23Å; I112-K114 HydrophobicContact CG2-CG 3.79Å; I112-K114 PolarHBondContact O-N 3.34Å
113	E	29.7	Very low	35.3	Very low	194 Å²	194	109.7 Å²	109.7	91%	0.907	59%	0.588	S	S	*	*			trans	-64.7	81.4	163.1	-72.9	-177.1	169.7	0	0	107.6	P115	E113-P115 WeakPolarHBondContact O-CD 3.15Å
114	K	31.3	Very low	34.5	Very low	169 Å²	169	110.2 Å²	110.2	74%	0.735	59%	0.586	S	S	*	*			trans	-88.1	111.5	146.9	-79.7	178.4	179.8	-179.2	0	103.7	I112 P116	I112-K114 HydrophobicContact CG2-CB 4.39Å; I112-K114 HydrophobicContact CG2-CD 4.23Å; I112-K114 HydrophobicContact CG2-CG 3.79Å; I112-K114 PolarHBondContact O-N 3.34Å; K114-P116 WeakPolarHBondContact O-CD 3.25Å; K114-P116 VanDerWaalsContact O-N 3.15Å
115	P	31.4	Very low	33.9	Very low	120 Å²	120	110.4 Å²	110.4	78%	0.779	59%	0.59	S	S	*	*			trans	-69.2	108.6	167.1	27.1	-28.2	0	0	0	106.1	E113	E113-P115 WeakPolarHBondContact O-CD 3.15Å
116	P	36	Very low	33	Very low	89 Å²	89	112.2 Å²	112.2	58%	0.578	59%	0.594	S	S	*	*			trans	-66.1	147.3	153.9	32.8	-28.4	0	0	0	105.5	K114 R118	K114-P116 WeakPolarHBondContact O-CD 3.25Å; K114-P116 VanDerWaalsContact O-N 3.15Å; P116-R118 PolarHBondContact O-N 3.48Å
117	P	38	Very low	32.3	Very low	64 Å²	64	110.4 Å²	110.4	42%	0.416	58%	0.579	S	S	.	*	S	Bend	trans	-74.6	42.2	-177.4	33.4	-34.5	0	0	0	110.3	E9 K10	E9-P117 CarbonylContact C-O 3.58Å; E9-P117 VanDerWaalsContact CA-O 3.25Å; E9-P117 WeakPolarHBondContact CA-O 3.41Å; E9-P117 HydrophobicContact CG-CG 4.14Å; K10-P117 HydrophobicContact CB-CB 4.14Å; K10-P117 PolarHBondContact N-O 3.45Å
118	R	32.2	Very low	32	Very low	92 Å²	92	108.8 Å²	108.8	35%	0.347	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.1	109.1	-179.7	-68.9	-177.1	178.9	-162.6	-5.5	108.6	Y7 K8 E9 E22 P116	Y7-R118 HydrophobicContact CD1-CB 4.03Å; K8-R118 WeakPolarHBondContact O-CA 3.39Å; E9-R118 HydrophobicContact CB-CG 4.2Å; E9-R118 HydrophobicContact CG-CG 4.31Å; E9-R118 IonicContact OE2-CZ 2.77Å; E9-R118 IonicContact OE2-NE 2.83Å; E9-R118 PolarHBondContact OE2-NE 3.15Å; E9-R118 IonicContact OE2-NH2 2.71Å; E9-R118 PolarHBondContact OE2-NH2 3.37Å; E22-R118 IonicContact OE2-NH2 3.37Å; P116-R118 PolarHBondContact O-N 3.48Å
119	E	37.6	Very low	32	Very low	114 Å²	114	110.4 Å²	110.4	53%	0.533	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.4	130.7	172.8	-171.4	171.3	167.3	0	0	108.7	K8 I121	K8-E119 PolarHBondContact N-O 3.4Å; K8-E119 VanDerWaalsContact N-O 3.16Å; K8-E119 PolarHBondContact O-N 3.35Å; E119-I121 PolarHBondContact O-N 3.24Å
120	V	33.4	Very low	32.2	Very low	62 Å²	62	106.2 Å²	106.2	38%	0.376	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.1	96.9	172	177.5	0	0	0	0	107.3	V5 Y7 R123	V5-V120 HydrophobicContact CG1-CG1 4.42Å; Y7-V120 HydrophobicContact CD1-CG2 4.32Å; Y7-V120 HydrophobicContact CE1-CG2 4Å; V120-R123 HydrophobicContact CG1-CG 3.96Å
121	I	30.3	Very low	32.2	Very low	91 Å²	91	100.7 Å²	100.7	47%	0.467	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-25.4	-176.1	54.1	161.8	0	0	0	113.1	I6 K8 E119	I6-I121 HydrophobicContact CB-CG1 4.5Å; I6-I121 HydrophobicContact CG2-CD1 4.03Å; I6-I121 HydrophobicContact CG2-CG1 4.34Å; K8-I121 HydrophobicContact CB-CD1 4.08Å; K8-I121 HydrophobicContact CB-CG1 4.25Å; K8-I121 HydrophobicContact CB-CG2 3.68Å; K8-I121 HydrophobicContact CD-CG2 4.29Å; E119-I121 PolarHBondContact O-N 3.24Å
122	S	28.8	Very low	32.6	Very low	31 Å²	31	101.9 Å²	101.9	22%	0.217	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	143.5	170.8	80.3	0	0	0	0	112.5
123	R	30.9	Very low	33.1	Very low	198 Å²	198	101.8 Å²	101.8	75%	0.747	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	102.9	164.6	-61.8	177.5	-172.3	-166.2	1.3	106.1	V120	V120-R123 HydrophobicContact CG1-CG 3.96Å
124	K	29.4	Very low	33.5	Very low	110 Å²	110	96.3 Å²	96.3	48%	0.478	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116	174.1	-67	-173.6	-178.4	-177.6	0	108.8	T4 W126	T4-K124 PolarHBondContact N-O 3.04Å; K124-W126 HydrophobicContact CD-CZ2 4.23Å
125	V	28.7	Very low	33.8	Very low	81 Å²	81	90.3 Å²	90.3	49%	0.491	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	108.4	167.4	-176.6	0	0	0	0	105.7	M1 I127	M1-V125 HydrophobicContact CG-CG1 4.43Å; V125-I127 HydrophobicContact CG1-CG1 3.96Å; V125-I127 PolarHBondContact O-N 3.4Å
126	W	28.5	Very low	34.3	Very low	168 Å²	168	90.2 Å²	90.2	64%	0.636	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	96.2	171.7	-66.1	90	0	0	0	107.1	K2 K124	K2-W126 PolarHBondContact O-N 3.01Å; K124-W126 HydrophobicContact CD-CZ2 4.23Å
127	I	32.1	Very low	34.5	Very low	75 Å²	75	90.3 Å²	90.3	39%	0.385	44%	0.439	S	S	.	.			trans	-77.6	112.1	158.6	-59.6	176.8	0	0	0	102.6	V125 L131 D132	V125-I127 HydrophobicContact CG1-CG1 3.96Å; V125-I127 PolarHBondContact O-N 3.4Å; I127-L131 HydrophobicContact CB-CD2 4.43Å; I127-L131 HydrophobicContact CG2-CB 3.75Å; I127-L131 HydrophobicContact CG2-CD2 3.88Å; I127-L131 HydrophobicContact CG2-CG 3.92Å; I127-D132 HydrophobicContact CG2-CB 4.49Å
128	S	32.7	Very low	34.6	Very low	70 Å²	70	91.1 Å²	91.1	49%	0.49	43%	0.434	S	S	.	.			trans	-54.7	148.6	178.2	65.5	0	0	0	0	109	G130 L131 D132	S128-G130 CarbonylContact O-C 2.84Å; S128-G130 PolarHBondContact O-N 3.27Å; S128-L131 WeakPolarHBondContact O-CA 3.41Å; S128-L131 WeakPolarHBondContact O-CB 3.41Å; S128-L131 PolarHBondContact O-N 3.33Å; S128-L131 VanDerWaalsContact OG-CB 3.26Å; S128-L131 WeakPolarHBondContact OG-CB 3.3Å; S128-L131 PolarHBondContact OG-N 3.02Å; S128-D132 PolarHBondContact O-N 3.4Å
129	D	33.9	Very low	35.5	Very low	146 Å²	146	90.4 Å²	90.4	78%	0.781	44%	0.436	S	S	*	.	H	α-helix	trans	-57.6	-22.3	175.7	-65.6	-19	0	0	0	111.9
130	G	36.4	Very low	35.5	Very low	27 Å²	27	86.1 Å²	86.1	28%	0.278	42%	0.417	S	S	.	.	H	α-helix	trans	-71.2	-41.1	168.3	0	0	0	0	0	113	S128 D132 K133 E134	S128-G130 CarbonylContact O-C 2.84Å; S128-G130 PolarHBondContact O-N 3.27Å; G130-D132 PolarHBondContact O-N 3.46Å; G130-K133 CarbonylContact O-C 3.43Å; G130-K133 WeakPolarHBondContact O-CA 3.48Å; G130-K133 WeakPolarHBondContact O-CB 3.49Å; G130-K133 PolarHBondContact O-N 3.43Å; G130-K133 VanDerWaalsContact O-N 3.09Å; G130-E134 VanDerWaalsContact O-CB 3.29Å; G130-E134 WeakPolarHBondContact O-CB 3.26Å; G130-E134 WeakPolarHBondContact O-CG 3.42Å; G130-E134 PolarHBondContact O-N 3.36Å
131	L	37.9	Very low	35.8	Very low	19 Å²	19	85.3 Å²	85.3	10%	0.099	41%	0.411	C	S	.	.	H	α-helix	trans	-65.7	-35.6	-178.4	-170.5	65.6	0	0	0	112.3	I127 S128 K133 E134 I135 W138	I127-L131 HydrophobicContact CB-CD2 4.43Å; I127-L131 HydrophobicContact CG2-CB 3.75Å; I127-L131 HydrophobicContact CG2-CD2 3.88Å; I127-L131 HydrophobicContact CG2-CG 3.92Å; S128-L131 WeakPolarHBondContact O-CA 3.41Å; S128-L131 WeakPolarHBondContact O-CB 3.41Å; S128-L131 PolarHBondContact O-N 3.33Å; S128-L131 VanDerWaalsContact OG-CB 3.26Å; S128-L131 WeakPolarHBondContact OG-CB 3.3Å; S128-L131 PolarHBondContact OG-N 3.02Å; L131-K133 VanDerWaalsContact C-N 3.34Å; L131-E134 PolarHBondContact O-N 3.47Å; L131-I135 HydrophobicContact CD1-CD1 4.18Å; L131-I135 HydrophobicContact CD1-CG1 4.01Å; L131-I135 HydrophobicContact CD2-CD1 4.22Å; L131-I135 HydrophobicContact CG-CD1 3.68Å; L131-I135 HydrophobicContact CG-CG1 3.99Å; L131-I135 VanDerWaalsContact O-CB 3.25Å; L131-I135 WeakPolarHBondContact O-CB 3.42Å; L131-I135 WeakPolarHBondContact O-CG1 3.42Å; L131-I135 PolarHBondContact O-N 3.1Å; L131-W138 HydrophobicContact CD1-CH2 4.35Å; L131-W138 HydrophobicContact CD1-CZ2 4.33Å
132	D	36.1	Very low	36.5	Very low	78 Å²	78	85.8 Å²	85.8	42%	0.417	41%	0.411	S	S	.	.	H	α-helix	trans	-63.6	-42.4	170.8	-176.4	63.2	0	0	0	111.2	I127 S128 G130 E134 K136	I127-D132 HydrophobicContact CG2-CB 4.49Å; S128-D132 PolarHBondContact O-N 3.4Å; G130-D132 PolarHBondContact O-N 3.46Å; D132-E134 VanDerWaalsContact C-N 3.29Å; D132-E134 PolarHBondContact O-N 2.92Å; D132-K136 WeakPolarHBondContact O-CB 3.42Å; D132-K136 VanDerWaalsContact O-CG 3.3Å; D132-K136 WeakPolarHBondContact O-CG 3.16Å; D132-K136 PolarHBondContact O-N 3.12Å; D132-K136 IonicContact OD2-NZ 3.11Å; D132-K136 PolarHBondContact OD2-NZ 3.43Å
133	K	39.9	Very low	37	Very low	139 Å²	139	88.9 Å²	88.9	60%	0.604	43%	0.425	S	S	*	.	H	α-helix	trans	-69.6	-22.6	174.4	-70.2	-180	-177.9	173.9	0	113.5	G130 L131 R137	G130-K133 CarbonylContact O-C 3.43Å; G130-K133 WeakPolarHBondContact O-CA 3.48Å; G130-K133 WeakPolarHBondContact O-CB 3.49Å; G130-K133 PolarHBondContact O-N 3.43Å; G130-K133 VanDerWaalsContact O-N 3.09Å; L131-K133 VanDerWaalsContact C-N 3.34Å; K133-R137 VanDerWaalsContact O-CD 3.31Å; K133-R137 WeakPolarHBondContact O-CD 3.38Å; K133-R137 VanDerWaalsContact O-CG 3.24Å; K133-R137 WeakPolarHBondContact O-CG 3.22Å; K133-R137 PolarHBondContact O-NE 2.98Å
134	E	38	Very low	37.4	Very low	80 Å²	80	81.7 Å²	81.7	37%	0.374	40%	0.402	S	S	.	.	H	α-helix	trans	-92.7	-36	-179.5	-73.9	165.2	-167.9	0	0	111.7	G130 L131 D132 K136 R137 W138	G130-E134 VanDerWaalsContact O-CB 3.29Å; G130-E134 WeakPolarHBondContact O-CB 3.26Å; G130-E134 WeakPolarHBondContact O-CG 3.42Å; G130-E134 PolarHBondContact O-N 3.36Å; L131-E134 PolarHBondContact O-N 3.47Å; D132-E134 VanDerWaalsContact C-N 3.29Å; D132-E134 PolarHBondContact O-N 2.92Å; E134-K136 VanDerWaalsContact C-N 3.32Å; E134-R137 CarbonylContact O-C 3.59Å; E134-R137 VanDerWaalsContact O-CA 3.28Å; E134-R137 WeakPolarHBondContact O-CA 3.39Å; E134-R137 VanDerWaalsContact O-CB 3.23Å; E134-R137 WeakPolarHBondContact O-CB 3.37Å; E134-R137 PolarHBondContact O-N 3.02Å; E134-W138 PolarHBondContact O-N 3.01Å; E134-W138 PolarHBondContact O-NE1 2.96Å
135	I	38.4	Very low	37.9	Very low	43 Å²	43	80.9 Å²	80.9	22%	0.221	40%	0.4	C	S	.	.	H	α-helix	trans	-64.5	-40	171.9	-72.4	169.2	0	0	0	109.9	L131 R137 W138	L131-I135 HydrophobicContact CD1-CD1 4.18Å; L131-I135 HydrophobicContact CD1-CG1 4.01Å; L131-I135 HydrophobicContact CD2-CD1 4.22Å; L131-I135 HydrophobicContact CG-CD1 3.68Å; L131-I135 HydrophobicContact CG-CG1 3.99Å; L131-I135 VanDerWaalsContact O-CB 3.25Å; L131-I135 WeakPolarHBondContact O-CB 3.42Å; L131-I135 WeakPolarHBondContact O-CG1 3.42Å; L131-I135 PolarHBondContact O-N 3.1Å; I135-R137 PolarHBondContact O-N 3.21Å; I135-W138 HydrophobicContact CG1-CE3 4.47Å; I135-W138 HydrophobicContact CG1-CZ3 4.47Å; I135-W138 PolarHBondContact O-N 2.79Å; I135-W138 VanDerWaalsContact O-N 3.13Å
136	K	40.8	Very low	38.7	Very low	118 Å²	118	81.4 Å²	81.4	51%	0.513	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-21	168.2	-78.6	170	177.2	154	0	112.9	L85 D132 E134	L85-K136 PolarHBondContact N-O 3.19Å; D132-K136 WeakPolarHBondContact O-CB 3.42Å; D132-K136 VanDerWaalsContact O-CG 3.3Å; D132-K136 WeakPolarHBondContact O-CG 3.16Å; D132-K136 PolarHBondContact O-N 3.12Å; D132-K136 IonicContact OD2-NZ 3.11Å; D132-K136 PolarHBondContact OD2-NZ 3.43Å; E134-K136 VanDerWaalsContact C-N 3.32Å
137	R	40.9	Very low	39.1	Very low	91 Å²	91	76.3 Å²	76.3	34%	0.343	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	1.8	-178.1	-62.4	169.9	-165.7	-105	3.1	115.1	K82 A83 K133 E134 I135	K82-R137 VanDerWaalsContact CE-NH1 3.32Å; A83-R137 VanDerWaalsContact C-C 3.49Å; A83-R137 CarbonylContact C-O 3.37Å; A83-R137 WeakPolarHBondContact CA-O 3.31Å; A83-R137 VanDerWaalsContact CB-O 3.28Å; A83-R137 WeakPolarHBondContact CB-O 3.24Å; A83-R137 PolarHBondContact N-O 2.7Å; A83-R137 CarbonylContact O-C 3.39Å; A83-R137 WeakPolarHBondContact O-CA 3.39Å; A83-R137 WeakPolarHBondContact O-CB 3.48Å; K133-R137 VanDerWaalsContact O-CD 3.31Å; K133-R137 WeakPolarHBondContact O-CD 3.38Å; K133-R137 VanDerWaalsContact O-CG 3.24Å; K133-R137 WeakPolarHBondContact O-CG 3.22Å; K133-R137 PolarHBondContact O-NE 2.98Å; E134-R137 CarbonylContact O-C 3.59Å; E134-R137 VanDerWaalsContact O-CA 3.28Å; E134-R137 WeakPolarHBondContact O-CA 3.39Å; E134-R137 VanDerWaalsContact O-CB 3.23Å; E134-R137 WeakPolarHBondContact O-CB 3.37Å; E134-R137 PolarHBondContact O-N 3.02Å; I135-R137 PolarHBondContact O-N 3.21Å
138	W	38.7	Very low	39.2	Very low	81 Å²	81	77 Å²	77	31%	0.307	39%	0.388	S	S	.	.			trans	-78.3	173.2	177.3	-68.2	-2.8	0	0	0	109.8	M79 N84 L85 L131 E134 I135 I140	M79-W138 HydrophobicContact SD-CZ2 4.38Å; M79-W138 PolarHBondContact SD-NE1 3.12Å; N84-W138 CarbonylContact C-O 3.58Å; L85-W138 HydrophobicContact CD1-CB 4.13Å; L85-W138 WeakPolarHBondContact CD1-O 3.38Å; L85-W138 WeakPolarHBondContact CG-O 3.17Å; L131-W138 HydrophobicContact CD1-CH2 4.35Å; L131-W138 HydrophobicContact CD1-CZ2 4.33Å; E134-W138 PolarHBondContact O-N 3.01Å; E134-W138 PolarHBondContact O-NE1 2.96Å; I135-W138 HydrophobicContact CG1-CE3 4.47Å; I135-W138 HydrophobicContact CG1-CZ3 4.47Å; I135-W138 PolarHBondContact O-N 2.79Å; I135-W138 VanDerWaalsContact O-N 3.13Å; W138-I140 HydrophobicContact CB-CD1 4.34Å; W138-I140 HydrophobicContact CB-CG1 3.88Å; W138-I140 HydrophobicContact CE3-CD1 4.37Å; W138-I140 HydrophobicContact CE3-CG1 4.49Å
139	N	51.1	Low	39.7	Very low	76 Å²	76	80 Å²	80	41%	0.406	39%	0.392	S	S	.	.			trans	-128.2	79.3	162	-175	-16	0	0	0	107.6	L85 D141 Q142 L143	L85-N139 HydrophobicContact CD2-CB 4.44Å; N139-D141 VanDerWaalsContact C-N 3.27Å; N139-D141 PolarHBondContact O-N 3.48Å; N139-Q142 PolarHBondContact O-N 3.05Å; N139-Q142 PolarHBondContact OD1-N 3.35Å; N139-L143 PolarHBondContact O-N 3.47Å
140	I	39.5	Very low	40	Very low	24 Å²	24	79 Å²	79	12%	0.123	39%	0.387	C	S	.	.	H	α-helix	trans	-70.2	-27.3	-168.2	-65.6	171.8	0	0	0	110.2	L85 F93 W138 L143 V144	L85-I140 HydrophobicContact CD1-CB 3.98Å; L85-I140 HydrophobicContact CD1-CD1 4Å; L85-I140 HydrophobicContact CD1-CG1 3.73Å; F93-I140 HydrophobicContact CD2-CG2 4.17Å; W138-I140 HydrophobicContact CB-CD1 4.34Å; W138-I140 HydrophobicContact CB-CG1 3.88Å; W138-I140 HydrophobicContact CE3-CD1 4.37Å; W138-I140 HydrophobicContact CE3-CG1 4.49Å; I140-L143 VanDerWaalsContact O-CB 3.28Å; I140-L143 WeakPolarHBondContact O-CB 3.2Å; I140-L143 PolarHBondContact O-N 3.39Å; I140-V144 HydrophobicContact CG2-CG2 4.19Å; I140-V144 VanDerWaalsContact O-CG2 3.31Å; I140-V144 WeakPolarHBondContact O-CG2 3.44Å; I140-V144 PolarHBondContact O-N 3.04Å
141	D	37.8	Very low	40.1	Very low	46 Å²	46	83.7 Å²	83.7	25%	0.246	41%	0.405	C	S	.	.	H	α-helix	trans	-69.8	-41	179	-85.7	19.4	0	0	0	112.3	E89 N139 L143 V144 Q145	E89-D141 WeakPolarHBondContact CG-OD2 3.27Å; N139-D141 VanDerWaalsContact C-N 3.27Å; N139-D141 PolarHBondContact O-N 3.48Å; D141-L143 VanDerWaalsContact C-N 3.31Å; D141-V144 PolarHBondContact O-N 2.82Å; D141-Q145 WeakPolarHBondContact O-CB 3.18Å; D141-Q145 VanDerWaalsContact O-CG 3.23Å; D141-Q145 WeakPolarHBondContact O-CG 3.36Å; D141-Q145 PolarHBondContact O-N 3.38Å
142	Q	44.8	Very low	39.7	Very low	101 Å²	101	88.2 Å²	88.2	47%	0.472	43%	0.428	S	S	.	.	H	α-helix	trans	-65.9	-39.1	171.7	-170.2	63.2	28.2	0	0	110.8	N139 V144 Q145 D146	N139-Q142 PolarHBondContact O-N 3.05Å; N139-Q142 PolarHBondContact OD1-N 3.35Å; Q142-V144 PolarHBondContact O-N 2.99Å; Q142-Q145 PolarHBondContact O-N 3.4Å; Q142-D146 WeakPolarHBondContact CG-OD2 3.46Å; Q142-D146 PolarHBondContact NE2-OD1 3.45Å; Q142-D146 PolarHBondContact NE2-OD2 2.83Å; Q142-D146 WeakPolarHBondContact O-CB 3.32Å; Q142-D146 PolarHBondContact O-N 2.93Å
143	L	40.2	Very low	39.8	Very low	96 Å²	96	91.6 Å²	91.6	50%	0.503	44%	0.439	S	S	.	.	H	α-helix	trans	-58.6	-46.1	177.3	-167.2	85.6	0	0	0	111.7	N139 I140 D141 T147	N139-L143 PolarHBondContact O-N 3.47Å; I140-L143 VanDerWaalsContact O-CB 3.28Å; I140-L143 WeakPolarHBondContact O-CB 3.2Å; I140-L143 PolarHBondContact O-N 3.39Å; D141-L143 VanDerWaalsContact C-N 3.31Å; L143-T147 VanDerWaalsContact O-CB 3.23Å; L143-T147 WeakPolarHBondContact O-CB 3.25Å; L143-T147 PolarHBondContact O-N 3.05Å; L143-T147 VanDerWaalsContact O-N 3.15Å; L143-T147 PolarHBondContact O-OG1 3.16Å
144	V	38.8	Very low	39.5	Very low	46 Å²	46	93.3 Å²	93.3	28%	0.279	45%	0.449	S	S	.	.	H	α-helix	trans	-71.7	-44.8	178.9	172.7	0	0	0	0	110.6	I140 D141 Q142 D146 T147 F148	I140-V144 HydrophobicContact CG2-CG2 4.19Å; I140-V144 VanDerWaalsContact O-CG2 3.31Å; I140-V144 WeakPolarHBondContact O-CG2 3.44Å; I140-V144 PolarHBondContact O-N 3.04Å; D141-V144 PolarHBondContact O-N 2.82Å; Q142-V144 PolarHBondContact O-N 2.99Å; V144-D146 PolarHBondContact O-N 3.18Å; V144-T147 PolarHBondContact O-N 3.06Å; V144-F148 HydrophobicContact CB-CD2 4.43Å; V144-F148 HydrophobicContact CG1-CD2 3.7Å; V144-F148 HydrophobicContact CG1-CE2 4.17Å; V144-F148 WeakPolarHBondContact O-CB 3.33Å; V144-F148 VanDerWaalsContact O-CD2 3.27Å; V144-F148 WeakPolarHBondContact O-CD2 3.2Å; V144-F148 PolarHBondContact O-N 3.18Å
145	Q	41.1	Very low	39.5	Very low	94 Å²	94	98.6 Å²	98.6	44%	0.439	47%	0.471	S	S	.	.	H	α-helix	trans	-62.4	-42.9	179.5	-74.1	-69.3	-16.5	0	0	112.6	D141 Q142 K149	D141-Q145 WeakPolarHBondContact O-CB 3.18Å; D141-Q145 VanDerWaalsContact O-CG 3.23Å; D141-Q145 WeakPolarHBondContact O-CG 3.36Å; D141-Q145 PolarHBondContact O-N 3.38Å; Q142-Q145 PolarHBondContact O-N 3.4Å; Q145-K149 WeakPolarHBondContact O-CA 2.94Å; Q145-K149 VanDerWaalsContact O-CB 3.27Å; Q145-K149 WeakPolarHBondContact O-CB 3.49Å; Q145-K149 PolarHBondContact O-N 2.95Å
146	D	44.2	Very low	39.5	Very low	91 Å²	91	102.4 Å²	102.4	49%	0.487	50%	0.499	S	S	.	.	H	α-helix	trans	-69.5	-36.7	178.4	-73.4	-25	0	0	0	111.9	Q142 V144	Q142-D146 WeakPolarHBondContact CG-OD2 3.46Å; Q142-D146 PolarHBondContact NE2-OD1 3.45Å; Q142-D146 PolarHBondContact NE2-OD2 2.83Å; Q142-D146 WeakPolarHBondContact O-CB 3.32Å; Q142-D146 PolarHBondContact O-N 2.93Å; V144-D146 PolarHBondContact O-N 3.18Å
147	T	38.1	Very low	39.2	Very low	62 Å²	62	103.9 Å²	103.9	38%	0.38	51%	0.512	S	S	.	.	H	α-helix	trans	-71.2	-44.6	179.6	-58.1	0	0	0	0	112.1	L143 V144	L143-T147 VanDerWaalsContact O-CB 3.23Å; L143-T147 WeakPolarHBondContact O-CB 3.25Å; L143-T147 PolarHBondContact O-N 3.05Å; L143-T147 VanDerWaalsContact O-N 3.15Å; L143-T147 PolarHBondContact O-OG1 3.16Å; V144-T147 PolarHBondContact O-N 3.06Å
148	F	34	Very low	38.8	Very low	90 Å²	90	107.3 Å²	107.3	40%	0.395	54%	0.537	S	S	.	.	H	α-helix	trans	-96.4	2.7	-174.7	-65.6	-80.7	0	0	0	114	V144 N150 I151 L152	V144-F148 HydrophobicContact CB-CD2 4.43Å; V144-F148 HydrophobicContact CG1-CD2 3.7Å; V144-F148 HydrophobicContact CG1-CE2 4.17Å; V144-F148 WeakPolarHBondContact O-CB 3.33Å; V144-F148 VanDerWaalsContact O-CD2 3.27Å; V144-F148 WeakPolarHBondContact O-CD2 3.2Å; V144-F148 PolarHBondContact O-N 3.18Å; F148-N150 PolarHBondContact O-N 2.91Å; F148-I151 HydrophobicContact CD1-CB 4.38Å; F148-I151 HydrophobicContact CD1-CD1 3.68Å; F148-I151 HydrophobicContact CE1-CD1 4.12Å; F148-I151 PolarHBondContact O-N 2.81Å; F148-L152 HydrophobicContact CB-CD1 4.12Å; F148-L152 HydrophobicContact CB-CG 4.26Å; F148-L152 PolarHBondContact O-N 3.28Å
149	K	42.6	Very low	38.6	Very low	132 Å²	132	112.3 Å²	112.3	57%	0.574	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.2	-31.9	178.4	-161.3	170	-177.7	171.2	0	114.2	Q145	Q145-K149 WeakPolarHBondContact O-CA 2.94Å; Q145-K149 VanDerWaalsContact O-CB 3.27Å; Q145-K149 WeakPolarHBondContact O-CB 3.49Å; Q145-K149 PolarHBondContact O-N 2.95Å
150	N	41.4	Very low	37.8	Very low	124 Å²	124	115.6 Å²	115.6	66%	0.663	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-22.8	179.8	-68	-32.4	0	0	0	113.3	F148	F148-N150 PolarHBondContact O-N 2.91Å
151	I	36.9	Very low	37.7	Very low	127 Å²	127	122.6 Å²	122.6	65%	0.651	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-35.2	179.6	-62.8	167.5	0	0	0	110.5	F148 K153	F148-I151 HydrophobicContact CD1-CB 4.38Å; F148-I151 HydrophobicContact CD1-CD1 3.68Å; F148-I151 HydrophobicContact CE1-CD1 4.12Å; F148-I151 PolarHBondContact O-N 2.81Å; I151-K153 PolarHBondContact O-N 2.71Å
152	L	30.3	Very low	37.3	Very low	113 Å²	113	127.3 Å²	127.3	59%	0.592	64%	0.64	S	S	*	*	S	Bend	trans	-74.6	-4	175.8	-70.7	170	0	0	0	113.9	F148 E154	F148-L152 HydrophobicContact CB-CD1 4.12Å; F148-L152 HydrophobicContact CB-CG 4.26Å; F148-L152 PolarHBondContact O-N 3.28Å; L152-E154 PolarHBondContact O-N 2.99Å
153	K	38.1	Very low	36.6	Very low	149 Å²	149	129 Å²	129	65%	0.648	65%	0.652	S	S	*	*	S	Bend	trans	-65.8	107.6	168.3	-80.4	178.7	-177.9	173.9	0	108.2	I151 K155	I151-K153 PolarHBondContact O-N 2.71Å; K153-K155 PolarHBondContact O-N 2.66Å
154	E	33.6	Very low	35.9	Very low	175 Å²	175	130.7 Å²	130.7	82%	0.818	66%	0.662	S	S	*	*			trans	-37.1	135.4	173.7	-69.1	178.9	155.3	0	0	111.5	L152	L152-E154 PolarHBondContact O-N 2.99Å
155	K	37.9	Very low	35.3	Very low	192 Å²	192	134.5 Å²	134.5	84%	0.835	68%	0.681	S	S	*	*			trans	-43.4	135.3	169.2	-77.3	176.6	176.7	172.9	0	108.9	K153 N157	K153-K155 PolarHBondContact O-N 2.66Å; K155-N157 PolarHBondContact O-N 2.93Å
156	P	38.3	Very low	34.7	Very low	123 Å²	123	136 Å²	136	80%	0.799	69%	0.691	S	S	*	*			trans	-53.8	115.4	-176.5	20.7	-31.1	0	0	0	109.1	N158	P156-N158 PolarHBondContact O-N 2.81Å; P156-N158 VanDerWaalsContact O-N 3.08Å
157	N	34.8	Very low	34	Very low	149 Å²	149	137.9 Å²	137.9	80%	0.797	70%	0.701	S	S	*	*			trans	-52	121.1	165.9	-109.9	-19.8	0	0	0	106.4	K155 K159	K155-N157 PolarHBondContact O-N 2.93Å; N157-K159 VanDerWaalsContact C-N 3.3Å; N157-K159 PolarHBondContact O-N 3.27Å
158	N	32.2	Very low	33.6	Very low	163 Å²	163	142.5 Å²	142.5	87%	0.872	72%	0.724	S	S	*	*			trans	-51.9	94	-177.3	-158.8	17.3	0	0	0	108.8	P156 D160	P156-N158 PolarHBondContact O-N 2.81Å; P156-N158 VanDerWaalsContact O-N 3.08Å; N158-D160 PolarHBondContact O-N 2.75Å; N158-D160 VanDerWaalsContact O-N 3.08Å
159	K	34.8	Very low	33.5	Very low	185 Å²	185	143 Å²	143	80%	0.804	74%	0.738	S	S	*	*			trans	-67.2	103.6	164.8	-87.1	-178.9	175.7	175.4	0	105	N157	N157-K159 VanDerWaalsContact C-N 3.3Å; N157-K159 PolarHBondContact O-N 3.27Å
160	D	35.3	Very low	33	Very low	145 Å²	145	143.4 Å²	143.4	78%	0.775	75%	0.747	S	S	*	*				165.3	84.4	126.2	-77.9	-20.3	0	0	0	109.6	N158	N158-D160 PolarHBondContact O-N 2.75Å; N158-D160 VanDerWaalsContact O-N 3.08Å
161	I	36.2	Very low	32.7	Very low	172 Å²	172	144.3 Å²	144.3	88%	0.882	75%	0.752	S	S	*	*			trans	-128.2	90.8	149.2	-56.5	-178.9	0	0	0	107.7
162	N	28.9	Very low	32.4	Very low	145 Å²	145	145.4 Å²	145.4	78%	0.775	76%	0.759	S	S	*	*			trans	7.5	114.1	154.4	-96.7	-30.6	0	0	0	118.9
163	N	30.3	Very low	32.5	Very low	135 Å²	135	147.5 Å²	147.5	72%	0.722	77%	0.771	S	S	*	*				44.2	101.9	103.3	-145.3	20.5	0	0	0	116.5
164	N	26.3	Very low	32.3	Very low	133 Å²	133	147.8 Å²	147.8	71%	0.711	78%	0.778	S	S	*	*				180	137.6	122.8	-97.2	-21.9	0	0	0	113.8
165	N	27.3	Very low	32.1	Very low	126 Å²	126	146.6 Å²	146.6	67%	0.674	78%	0.777	S	S	*	*			trans	84.7	111.7	144.6	-69.9	-14.5	0	0	0	121.2
166	N	28.2	Very low	32	Very low	124 Å²	124	145.2 Å²	145.2	66%	0.663	78%	0.777	S	S	*	*				91.6	109.8	124.2	-78.7	-13.9	0	0	0	119.7
167	N	27.9	Very low	31.7	Very low	131 Å²	131	146.1 Å²	146.1	70%	0.701	77%	0.774	S	S	*	*				54.2	105.5	123.7	-56.3	-16.6	0	0	0	117.5
168	N	31	Very low	31.4	Very low	159 Å²	159	146.5 Å²	146.5	85%	0.85	78%	0.776	S	S	*	*				162.2	138.3	97	-106.9	-22.6	0	0	0	112.3
169	S	31.5	Very low	31.1	Very low	100 Å²	100	143.4 Å²	143.4	70%	0.699	77%	0.767	S	S	*	*			trans	68	100.4	139	-164.9	0	0	0	0	120.7
170	N	31.5	Very low	31.1	Very low	141 Å²	141	141.6 Å²	141.6	75%	0.754	77%	0.766	S	S	*	*				48.2	124.2	125.9	-73.5	-7.1	0	0	0	122
171	N	34.7	Very low	30.7	Very low	143 Å²	143	142.7 Å²	142.7	77%	0.765	77%	0.772	S	S	*	*			trans	94.9	83.5	138.4	-65.6	-5.3	0	0	0	120.4
172	N	32.2	Very low	30.5	Very low	151 Å²	151	140.1 Å²	140.1	81%	0.807	76%	0.759	S	S	*	*			trans	-4.1	123	131.2	-61.7	-14.6	0	0	0	118.5
173	N	30.6	Very low	30.5	Very low	157 Å²	157	140.1 Å²	140.1	84%	0.84	76%	0.764	S	S	*	*				175.6	102.8	129	-96.1	-11.8	0	0	0	110.8
174	I	34.6	Very low	30.5	Very low	154 Å²	154	139.2 Å²	139.2	79%	0.79	76%	0.756	S	S	*	*			trans	-139.1	101.5	158.2	-56.1	-179.1	0	0	0	108.8	I176	I174-I176 HydrophobicContact CG2-CG1 4.18Å
175	N	29.1	Very low	30.7	Very low	151 Å²	151	142.2 Å²	142.2	81%	0.807	76%	0.762	S	S	*	*			trans	-69.2	118.3	163.1	-82.4	-26.4	0	0	0	108.6
176	I	35.9	Very low	30.7	Very low	162 Å²	162	144.1 Å²	144.1	83%	0.831	77%	0.773	S	S	*	*			trans	-95.6	111.2	169.3	-60.2	178.3	0	0	0	107.6	I174	I174-I176 HydrophobicContact CG2-CG1 4.18Å
177	I	32.3	Very low	30.7	Very low	143 Å²	143	143 Å²	143	73%	0.733	77%	0.77	S	S	*	*			trans	-79.2	137	-175.4	-70.3	167.7	0	0	0	110.4
178	N	28	Very low	30.5	Very low	156 Å²	156	145.8 Å²	145.8	83%	0.834	78%	0.779	S	S	*	*			trans	-51.5	136	167.9	-75.3	-23	0	0	0	113.1
179	S	27	Very low	30.3	Very low	99 Å²	99	146.7 Å²	146.7	69%	0.692	77%	0.772	S	S	*	*			trans	-153.2	125.9	159.9	-70	0	0	0	0	109.4
180	N	33.7	Very low	29.8	Very low	146 Å²	146	149.5 Å²	149.5	78%	0.781	77%	0.774	S	S	*	*				173.9	102.8	117.2	-80.1	-16.5	0	0	0	110.5
181	N	27	Very low	29.6	Very low	169 Å²	169	152.9 Å²	152.9	90%	0.904	78%	0.777	S	S	*	*			trans	-69.2	121.1	160.1	-75.5	-29.5	0	0	0	108.5
182	I	32.9	Very low	29.7	Very low	118 Å²	118	159.5 Å²	159.5	61%	0.605	79%	0.794	S	S	*	*			trans	-126.4	108.2	164.3	-59	177.2	0	0	0	107.7
183	T	27.7	Very low	29.6	Very low	145 Å²	145	160 Å²	160	89%	0.89	79%	0.793	S	S	*	*			trans	-75.5	114.7	168.1	18.2	0	0	0	0	108.8
184	Q	32.1	Very low	29.5	Very low	116 Å²	116	160.1 Å²	160.1	54%	0.542	79%	0.791	S	S	.	*			trans	-108.5	116.3	173.4	-139.3	168.6	-18.9	0	0	108.2
185	K	28.8	Very low	29.2	Very low	195 Å²	195	160.4 Å²	160.4	85%	0.848	79%	0.791	S	S	*	*			trans	-69.7	129	177.7	-77.6	178.2	173.1	179.5	0	109.5	V187	K185-V187 PolarHBondContact O-N 3.46Å
186	D	27.9	Very low	29.3	Very low	166 Å²	166	161 Å²	161	89%	0.888	79%	0.79	S	S	*	*			trans	-61.3	119	169.5	-64.4	-47	0	0	0	109.5
187	V	28.8	Very low	28.8	Very low	101 Å²	101	160.9 Å²	160.9	61%	0.612	79%	0.787	S	S	*	*			trans	-99.4	110.5	167.5	-177.1	0	0	0	0	106.4	K185 Y189	K185-V187 PolarHBondContact O-N 3.46Å; V187-Y189 HydrophobicContact CB-CE2 4.12Å; V187-Y189 HydrophobicContact CG1-CD2 4.29Å; V187-Y189 HydrophobicContact CG1-CE1 4.47Å; V187-Y189 HydrophobicContact CG1-CE2 3.72Å
188	E	23	Very low	28.6	Very low	190 Å²	190	162.1 Å²	162.1	89%	0.888	79%	0.791	S	S	*	*			trans	-77.4	120.2	179	-156.4	168.3	-150.2	0	0	108.6
189	Y	26.8	Very low	28.7	Very low	177 Å²	177	162.6 Å²	162.6	69%	0.694	79%	0.788	S	S	*	*			trans	-107.8	116.4	173.4	-71.5	-83	0	0	0	109.4	V187	V187-Y189 HydrophobicContact CB-CE2 4.12Å; V187-Y189 HydrophobicContact CG1-CD2 4.29Å; V187-Y189 HydrophobicContact CG1-CE1 4.47Å; V187-Y189 HydrophobicContact CG1-CE2 3.72Å
190	E	21.4	Very low	28.8	Very low	159 Å²	159	167.5 Å²	167.5	74%	0.743	80%	0.795	S	S	*	*			trans	-80.7	125.9	165.4	-71.4	-177.2	161.3	0	0	109.3
191	Y	27.2	Very low	28.4	Very low	212 Å²	212	169.3 Å²	169.3	83%	0.831	80%	0.796	S	S	*	*			trans	-112.3	122.4	167.2	-77.2	-87.9	0	0	0	108.6
192	Y	36.9	Very low	28.5	Very low	283 Å²	283	169.3 Å²	169.3	100%	1.11	79%	0.786	S	S	*	*			trans	-77.1	0	170.9	-70.4	-90.7	0	0	0	111.3

Retrieved 192 of 192 residues in 114 ms (Link to these results)

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