A0A077ZJ11_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJ11, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 260 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	31.4	Very low	38.4	Very low	238 Å²	238	127.8 Å²	127.8	100%	1.172	65%	0.653	S	S	*	*				0	98.6	0	-156.8	170.3	-173.4	0	0	104.6
2	F	29.4	Very low	39.2	Very low	187 Å²	187	118 Å²	118	82%	0.82	60%	0.604	S	S	*	*			trans	-85.5	116.2	174	-78.4	-82.6	0	0	0	105.3	Q4	F2-Q4 PolarHBondContact O-N 3.4Å
3	E	30.9	Very low	39.7	Very low	176 Å²	176	112.2 Å²	112.2	82%	0.822	58%	0.579	S	S	*	*			trans	-58.1	109.4	171.2	-72.3	171.9	144.7	0	0	106.7	T5	E3-T5 PolarHBondContact O-N 3.27Å
4	Q	31.8	Very low	40.3	Very low	189 Å²	189	108.6 Å²	108.6	88%	0.883	57%	0.569	S	S	*	*			trans	-66.6	92.8	161	-88.6	173.4	-42	0	0	105.2	F2 D6	F2-Q4 PolarHBondContact O-N 3.4Å; Q4-D6 VanDerWaalsContact C-N 3.26Å; Q4-D6 PolarHBondContact O-N 3.38Å
5	T	40.3	Very low	40.8	Very low	90 Å²	90	107.2 Å²	107.2	55%	0.552	58%	0.579	S	S	*	*			trans	-71.1	95.5	165	43.1	0	0	0	0	105.6	E3 V7	E3-T5 PolarHBondContact O-N 3.27Å; T5-V7 VanDerWaalsContact CB-CG2 3.49Å; T5-V7 PolarHBondContact O-N 2.88Å
6	D	39.7	Very low	41.4	Very low	161 Å²	161	110.1 Å²	110.1	86%	0.861	59%	0.594	S	S	*	*			trans	-63.4	67.7	165.5	-106.5	-20.8	0	0	0	107.9	Q4 T8	Q4-D6 VanDerWaalsContact C-N 3.26Å; Q4-D6 PolarHBondContact O-N 3.38Å; D6-T8 PolarHBondContact O-N 2.74Å
7	V	42.3	Very low	42.1	Very low	40 Å²	40	106 Å²	106	24%	0.242	57%	0.571	C	S	.	*			trans	-87.9	97.2	177.6	-160.4	0	0	0	0	106.1	T5 S11 V12	T5-V7 VanDerWaalsContact CB-CG2 3.49Å; T5-V7 PolarHBondContact O-N 2.88Å; V7-S11 WeakPolarHBondContact CA-OG 3.5Å; V7-S11 WeakPolarHBondContact CG1-OG 3.46Å; V7-V12 HydrophobicContact CB-CG2 4.15Å; V7-V12 HydrophobicContact CG1-CB 4.33Å; V7-V12 HydrophobicContact CG1-CG2 3.38Å
8	T	43.9	Very low	42.8	Very low	87 Å²	87	103.2 Å²	103.2	53%	0.534	56%	0.561	S	S	.	*			trans	-65.1	151.2	169.3	54.6	0	0	0	0	109	D6 E10 S11 V12	D6-T8 PolarHBondContact O-N 2.74Å; T8-E10 PolarHBondContact O-N 2.99Å; T8-S11 PolarHBondContact N-OG 3.23Å; T8-S11 PolarHBondContact O-N 2.95Å; T8-S11 PolarHBondContact O-OG 3.02Å; T8-V12 WeakPolarHBondContact O-CG2 3.19Å; T8-V12 PolarHBondContact O-N 2.96Å; T8-V12 VanDerWaalsContact O-N 3.12Å
9	A	42.3	Very low	43.3	Very low	21 Å²	21	101.2 Å²	101.2	17%	0.174	55%	0.552	C	S	.	*	H	α-helix	trans	-51.2	-29.2	178.8	0	0	0	0	0	113	V12 C13 Q40	A9-V12 PolarHBondContact O-N 2.82Å; A9-C13 PolarHBondContact O-N 3.02Å; A9-C13 PolarHBondContact O-SG 3.31Å; A9-C13 VanDerWaalsContact O-SG 3.4Å; A9-Q40 HydrophobicContact CB-CG 3.97Å
10	E	43.8	Very low	43.8	Very low	170 Å²	170	103 Å²	103	79%	0.794	56%	0.557	S	S	*	*	H	α-helix	trans	-67	-39.5	174.4	-69.6	-172.9	163.4	0	0	113.3	T8 C13	T8-E10 PolarHBondContact O-N 2.99Å; E10-C13 PolarHBondContact O-N 3.36Å
11	S	46.6	Very low	44.5	Very low	47 Å²	47	100.7 Å²	100.7	33%	0.329	55%	0.546	S	S	.	.	H	α-helix	trans	-72.6	-30.3	173.5	55.8	0	0	0	0	112.1	V7 T8 C13 S14	V7-S11 WeakPolarHBondContact CA-OG 3.5Å; V7-S11 WeakPolarHBondContact CG1-OG 3.46Å; T8-S11 PolarHBondContact N-OG 3.23Å; T8-S11 PolarHBondContact O-N 2.95Å; T8-S11 PolarHBondContact O-OG 3.02Å; S11-C13 PolarHBondContact O-N 3.25Å; S11-S14 WeakPolarHBondContact O-CB 3.47Å; S11-S14 PolarHBondContact O-N 3.45Å; S11-S14 VanDerWaalsContact O-N 3.1Å; S11-S14 PolarHBondContact O-OG 2.99Å
12	V	47.6	Very low	45.6	Very low	10 Å²	10	89.6 Å²	89.6	6%	0.061	49%	0.492	C	S	.	.	H	α-helix	trans	-67	-29.2	176.5	-164.3	0	0	0	0	111.8	V7 T8 A9 S14 M17 L22 T41	V7-V12 HydrophobicContact CB-CG2 4.15Å; V7-V12 HydrophobicContact CG1-CB 4.33Å; V7-V12 HydrophobicContact CG1-CG2 3.38Å; T8-V12 WeakPolarHBondContact O-CG2 3.19Å; T8-V12 PolarHBondContact O-N 2.96Å; T8-V12 VanDerWaalsContact O-N 3.12Å; A9-V12 PolarHBondContact O-N 2.82Å; V12-S14 PolarHBondContact O-N 3.18Å; V12-M17 HydrophobicContact CG1-CE 3.96Å; V12-L22 HydrophobicContact CG1-CD2 4.16Å; V12-T41 HydrophobicContact CB-CG2 4.4Å; V12-T41 HydrophobicContact CG1-CG2 3.3Å; V12-T41 WeakPolarHBondContact CG1-OG1 3.44Å
13	C	46.5	Very low	46.7	Very low	42 Å²	42	83.7 Å²	83.7	28%	0.284	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	1.7	173.7	-72.5	0	0	0	0	114.1	A9 E10 S11 C44 K48	A9-C13 PolarHBondContact O-N 3.02Å; A9-C13 PolarHBondContact O-SG 3.31Å; A9-C13 VanDerWaalsContact O-SG 3.4Å; E10-C13 PolarHBondContact O-N 3.36Å; S11-C13 PolarHBondContact O-N 3.25Å; C13-C44 VanDerWaalsContact CA-SG 3.59Å; C13-C44 HydrophobicContact CB-CB 4.41Å; C13-C44 WeakPolarHBondContact CB-SG 3.33Å; C13-C44 WeakPolarHBondContact SG-CB 3.33Å; C13-C44 CovalentContact SG-SG 2.02Å; C13-C44 PolarHBondContact SG-SG 3.1Å; C13-K48 PolarHBondContact O-NZ 2.93Å
14	S	48.1	Very low	47.8	Very low	63 Å²	63	84.2 Å²	84.2	44%	0.441	46%	0.463	S	S	.	.	S	Bend	trans	-71.5	134.7	172.1	58.6	0	0	0	0	110	S11 V12 D16	S11-S14 WeakPolarHBondContact O-CB 3.47Å; S11-S14 PolarHBondContact O-N 3.45Å; S11-S14 VanDerWaalsContact O-N 3.1Å; S11-S14 PolarHBondContact O-OG 2.99Å; V12-S14 PolarHBondContact O-N 3.18Å; S14-D16 PolarHBondContact O-N 3.33Å
15	A	48.3	Very low	49	Very low	87 Å²	87	78 Å²	78	72%	0.719	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-1.4	-167.4	0	0	0	0	0	115.2
16	D	49.5	Very low	49.6	Very low	153 Å²	153	74 Å²	74	82%	0.818	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	2.2	-169.6	-64.7	-31.5	0	0	0	114	S14 S18	S14-D16 PolarHBondContact O-N 3.33Å; D16-S18 PolarHBondContact O-N 2.76Å; D16-S18 VanDerWaalsContact O-N 3.08Å
17	M	53.5	Low	50.3	Low	41 Å²	41	72.1 Å²	72.1	20%	0.202	40%	0.396	C	S	.	.			trans	-71.6	104.4	173	-74.3	-85.2	-95.7	0	0	109.4	V12 V21 L22 E25	V12-M17 HydrophobicContact CG1-CE 3.96Å; M17-V21 HydrophobicContact CE-CG1 3.98Å; M17-V21 HydrophobicContact SD-CB 4.1Å; M17-V21 HydrophobicContact SD-CG1 3.51Å; M17-V21 VanDerWaalsContact SD-CG1 3.51Å; M17-L22 HydrophobicContact CB-CD1 4.33Å; M17-L22 HydrophobicContact CB-CG 4.44Å; M17-L22 HydrophobicContact CE-CD2 4.22Å; M17-L22 HydrophobicContact CE-CG 4.46Å; M17-E25 WeakPolarHBondContact CE-OE2 3.47Å
18	S	54.7	Low	51.1	Low	55 Å²	55	73.3 Å²	73.3	39%	0.385	41%	0.41	S	S	.	.			trans	-64	152.1	172.1	75.3	0	0	0	0	110.2	D16 E20 V21 L22	D16-S18 PolarHBondContact O-N 2.76Å; D16-S18 VanDerWaalsContact O-N 3.08Å; S18-E20 PolarHBondContact O-N 3.15Å; S18-V21 PolarHBondContact O-N 3.36Å; S18-L22 PolarHBondContact O-N 2.85Å
19	T	51.8	Low	51.5	Low	65 Å²	65	70.2 Å²	70.2	40%	0.399	39%	0.39	S	S	.	.	H	α-helix	trans	-49.8	-34.3	175.9	68.1	0	0	0	0	111.9	L23 L52	T19-L23 VanDerWaalsContact O-CB 3.29Å; T19-L23 WeakPolarHBondContact O-CB 3.43Å; T19-L23 WeakPolarHBondContact O-CD1 3.46Å; T19-L23 PolarHBondContact O-N 3.09Å; T19-L52 HydrophobicContact CG2-CD1 3.17Å; T19-L52 HydrophobicContact CG2-CD2 3.97Å; T19-L52 HydrophobicContact CG2-CG 4.19Å
20	E	54.1	Low	52	Low	138 Å²	138	77.5 Å²	77.5	65%	0.645	42%	0.418	S	S	*	.	H	α-helix	trans	-66.2	-36.3	178.3	-62.2	-172	163.9	0	0	113.8	S18 L23 R24	S18-E20 PolarHBondContact O-N 3.15Å; E20-L23 WeakPolarHBondContact O-CB 3.02Å; E20-R24 WeakPolarHBondContact O-CB 3.38Å; E20-R24 PolarHBondContact O-N 2.92Å
21	V	57.5	Low	52.6	Low	54 Å²	54	75.3 Å²	75.3	33%	0.327	41%	0.408	S	S	.	.	H	α-helix	trans	-69.9	-47	178.3	-179.9	0	0	0	0	109.6	M17 S18 L23 R24 E25	M17-V21 HydrophobicContact CE-CG1 3.98Å; M17-V21 HydrophobicContact SD-CB 4.1Å; M17-V21 HydrophobicContact SD-CG1 3.51Å; M17-V21 VanDerWaalsContact SD-CG1 3.51Å; S18-V21 PolarHBondContact O-N 3.36Å; V21-L23 VanDerWaalsContact C-N 3.3Å; V21-L23 PolarHBondContact O-N 3.49Å; V21-R24 WeakPolarHBondContact O-CB 3.5Å; V21-R24 PolarHBondContact O-N 3.04Å; V21-R24 VanDerWaalsContact O-N 3.08Å; V21-E25 WeakPolarHBondContact O-CG 3.27Å; V21-E25 PolarHBondContact O-N 3.23Å
22	L	56.3	Low	53	Low	6 Å²	6	76 Å²	76	3%	0.031	41%	0.407	C	S	.	.	H	α-helix	trans	-60.2	-40.5	175.2	-72.9	157.1	0	0	0	111.8	V12 M17 S18 E25 L26 T41 I45 L56	V12-L22 HydrophobicContact CG1-CD2 4.16Å; M17-L22 HydrophobicContact CB-CD1 4.33Å; M17-L22 HydrophobicContact CB-CG 4.44Å; M17-L22 HydrophobicContact CE-CD2 4.22Å; M17-L22 HydrophobicContact CE-CG 4.46Å; S18-L22 PolarHBondContact O-N 2.85Å; L22-E25 PolarHBondContact O-N 3.38Å; L22-L26 VanDerWaalsContact O-CB 3.26Å; L22-L26 WeakPolarHBondContact O-CB 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.4Å; L22-L26 PolarHBondContact O-N 2.76Å; L22-T41 HydrophobicContact CD2-CG2 3.4Å; L22-I45 HydrophobicContact CD1-CD1 3.4Å; L22-I45 VanDerWaalsContact CD1-CD1 3.4Å; L22-I45 HydrophobicContact CD2-CD1 4Å; L22-I45 HydrophobicContact CG-CD1 4.35Å; L22-L56 HydrophobicContact CB-CD2 3.94Å; L22-L56 HydrophobicContact CD1-CD1 3.9Å
23	L	51.7	Low	53.3	Low	62 Å²	62	80.3 Å²	80.3	33%	0.325	43%	0.434	S	S	.	.	H	α-helix	trans	-58.3	-46.5	172	-105.7	148.7	0	0	0	112.1	T19 E20 V21 L26 M27 L59	T19-L23 VanDerWaalsContact O-CB 3.29Å; T19-L23 WeakPolarHBondContact O-CB 3.43Å; T19-L23 WeakPolarHBondContact O-CD1 3.46Å; T19-L23 PolarHBondContact O-N 3.09Å; E20-L23 WeakPolarHBondContact O-CB 3.02Å; V21-L23 VanDerWaalsContact C-N 3.3Å; V21-L23 PolarHBondContact O-N 3.49Å; L23-L26 PolarHBondContact O-N 2.96Å; L23-M27 WeakPolarHBondContact O-CB 3.34Å; L23-M27 WeakPolarHBondContact O-CG 3.5Å; L23-M27 PolarHBondContact O-N 3.08Å; L23-L59 HydrophobicContact CD1-CD2 4.41Å; L23-L59 HydrophobicContact CD2-CD1 4.03Å; L23-L59 HydrophobicContact CD2-CD2 3.22Å; L23-L59 HydrophobicContact CD2-CG 4.24Å; L23-L59 HydrophobicContact CG-CD2 3.44Å; L23-L59 VanDerWaalsContact CG-CD2 3.44Å
24	R	53.4	Low	54	Low	188 Å²	188	82.4 Å²	82.4	71%	0.709	44%	0.439	S	S	*	.	H	α-helix	trans	-65.6	-41.8	-179.6	-172.8	-178.7	-69.7	164.1	1.1	110.8	E20 V21 M27 A28	E20-R24 WeakPolarHBondContact O-CB 3.38Å; E20-R24 PolarHBondContact O-N 2.92Å; V21-R24 WeakPolarHBondContact O-CB 3.5Å; V21-R24 PolarHBondContact O-N 3.04Å; V21-R24 VanDerWaalsContact O-N 3.08Å; R24-M27 PolarHBondContact O-N 3.26Å; R24-A28 WeakPolarHBondContact O-CB 3.42Å; R24-A28 PolarHBondContact O-N 2.9Å
25	E	57.2	Low	54.8	Low	59 Å²	59	81.3 Å²	81.3	28%	0.276	43%	0.428	S	S	.	.	H	α-helix	trans	-63.6	-47.6	175.3	-71.4	-178.1	171.5	0	0	110.9	M17 V21 L22 M27 A28 L29	M17-E25 WeakPolarHBondContact CE-OE2 3.47Å; V21-E25 WeakPolarHBondContact O-CG 3.27Å; V21-E25 PolarHBondContact O-N 3.23Å; L22-E25 PolarHBondContact O-N 3.38Å; E25-M27 VanDerWaalsContact C-N 3.32Å; E25-M27 PolarHBondContact O-N 3.22Å; E25-A28 CarbonylContact O-C 3.55Å; E25-A28 WeakPolarHBondContact O-CA 3.43Å; E25-A28 WeakPolarHBondContact O-CB 3.45Å; E25-A28 PolarHBondContact O-N 2.87Å; E25-L29 WeakPolarHBondContact O-CG 3.36Å; E25-L29 PolarHBondContact O-N 2.94Å
26	L	54.2	Low	55.3	Low	5 Å²	5	81.1 Å²	81.1	3%	0.026	42%	0.42	C	S	.	.	H	α-helix	trans	-54.8	-44.8	174.2	-92.7	162.5	0	0	0	113.3	L22 L23 A28 L29 L38 L56 L59 C60 V64	L22-L26 VanDerWaalsContact O-CB 3.26Å; L22-L26 WeakPolarHBondContact O-CB 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.4Å; L22-L26 PolarHBondContact O-N 2.76Å; L23-L26 PolarHBondContact O-N 2.96Å; L26-A28 VanDerWaalsContact C-N 3.3Å; L26-L29 HydrophobicContact CD2-CD1 3.91Å; L26-L29 WeakPolarHBondContact O-CB 3.44Å; L26-L29 PolarHBondContact O-N 2.81Å; L26-L38 HydrophobicContact CD1-CD1 4.17Å; L26-L38 HydrophobicContact CD2-CD1 3.48Å; L26-L38 VanDerWaalsContact CD2-CD1 3.48Å; L26-L38 HydrophobicContact CD2-CD2 3.35Å; L26-L38 HydrophobicContact CD2-CG 4.01Å; L26-L38 HydrophobicContact CG-CD1 3.66Å; L26-L38 HydrophobicContact CG-CD2 4.44Å; L26-L56 HydrophobicContact CD1-CD2 4.06Å; L26-L59 HydrophobicContact CD1-CD2 3.93Å; L26-C60 WeakPolarHBondContact CD2-SG 3.49Å; L26-V64 HydrophobicContact CD2-CG2 4.03Å
27	M	53.2	Low	55.9	Low	122 Å²	122	79 Å²	79	60%	0.601	41%	0.405	S	S	*	.	H	α-helix	trans	-71.7	-27.6	176.9	-70.3	-135.4	-65.8	0	0	112.4	L23 R24 E25	L23-M27 WeakPolarHBondContact O-CB 3.34Å; L23-M27 WeakPolarHBondContact O-CG 3.5Å; L23-M27 PolarHBondContact O-N 3.08Å; R24-M27 PolarHBondContact O-N 3.26Å; E25-M27 VanDerWaalsContact C-N 3.32Å; E25-M27 PolarHBondContact O-N 3.22Å
28	A	58.9	Low	56.5	Low	64 Å²	64	78 Å²	78	53%	0.529	40%	0.4	S	S	.	.	H	α-helix	trans	-78.4	-16.9	176.8	0	0	0	0	0	113.5	R24 E25 L26 K30	R24-A28 WeakPolarHBondContact O-CB 3.42Å; R24-A28 PolarHBondContact O-N 2.9Å; E25-A28 CarbonylContact O-C 3.55Å; E25-A28 WeakPolarHBondContact O-CA 3.43Å; E25-A28 WeakPolarHBondContact O-CB 3.45Å; E25-A28 PolarHBondContact O-N 2.87Å; L26-A28 VanDerWaalsContact C-N 3.3Å; A28-K30 VanDerWaalsContact C-N 3.35Å; A28-K30 PolarHBondContact O-N 2.92Å
29	L	53	Low	57.2	Low	22 Å²	22	79.1 Å²	79.1	12%	0.115	41%	0.405	C	S	.	.			trans	-55.8	96.2	171.6	-69.3	170.4	0	0	0	110	E25 L26 E34 L38 R67	E25-L29 WeakPolarHBondContact O-CG 3.36Å; E25-L29 PolarHBondContact O-N 2.94Å; L26-L29 HydrophobicContact CD2-CD1 3.91Å; L26-L29 WeakPolarHBondContact O-CB 3.44Å; L26-L29 PolarHBondContact O-N 2.81Å; L29-E34 HydrophobicContact CD2-CB 3.28Å; L29-E34 HydrophobicContact CD2-CG 4.13Å; L29-E34 WeakPolarHBondContact CD2-OE2 3.33Å; L29-L38 HydrophobicContact CD1-CD2 3.78Å; L29-L38 HydrophobicContact CD1-CG 4.5Å; L29-R67 PolarHBondContact O-NH1 2.84Å
30	K	52.3	Low	57.8	Low	174 Å²	174	81.5 Å²	81.5	76%	0.757	41%	0.411	S	S	*	.			trans	-81.8	-30.8	173.8	-74.9	-178.5	-177.8	175.4	0	111.1	A28	A28-K30 VanDerWaalsContact C-N 3.35Å; A28-K30 PolarHBondContact O-N 2.92Å
31	E	55.4	Low	58.3	Low	125 Å²	125	75.3 Å²	75.3	58%	0.584	38%	0.383	S	S	*	.	S	Bend	trans	-118.3	138.3	-173.9	-61.7	-175.9	-174.5	0	0	109.8	T33	E31-T33 VanDerWaalsContact CB-OG1 3.28Å; E31-T33 WeakPolarHBondContact CB-OG1 3.46Å; E31-T33 PolarHBondContact O-N 3.38Å; E31-T33 PolarHBondContact OE2-OG1 3.41Å
32	L	55.5	Low	58.7	Low	61 Å²	61	73.2 Å²	73.2	32%	0.319	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-69.9	-7.1	175.9	-70.8	160.2	0	0	0	112.6	E34 L35 V64 L68	L32-E34 PolarHBondContact O-N 3.48Å; L32-L35 WeakPolarHBondContact O-CB 3.43Å; L32-L35 PolarHBondContact O-N 2.81Å; L32-L35 VanDerWaalsContact O-N 3.13Å; L32-V64 HydrophobicContact CD2-CG1 4.12Å; L32-L68 HydrophobicContact CD1-CB 4.45Å; L32-L68 HydrophobicContact CD1-CD1 3.63Å; L32-L68 HydrophobicContact CD2-CB 4.1Å; L32-L68 HydrophobicContact CD2-CD1 4.07Å; L32-L68 HydrophobicContact CG-CD1 4.4Å
33	T	55.1	Low	59.3	Low	100 Å²	100	76.2 Å²	76.2	61%	0.613	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-62.5	-26.9	178.9	49.6	0	0	0	0	112.7	E31 L35 P36	E31-T33 VanDerWaalsContact CB-OG1 3.28Å; E31-T33 WeakPolarHBondContact CB-OG1 3.46Å; E31-T33 PolarHBondContact O-N 3.38Å; E31-T33 PolarHBondContact OE2-OG1 3.41Å; T33-L35 VanDerWaalsContact C-N 3.32Å; T33-P36 VanDerWaalsContact O-CD 3.31Å; T33-P36 WeakPolarHBondContact O-CD 3.29Å
34	E	61.4	Low	59.9	Low	87 Å²	87	74.2 Å²	74.2	41%	0.407	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-86	-0.7	178.9	-71.3	173.9	-140.2	0	0	113	L29 L32 P36 Q37 L38	L29-E34 HydrophobicContact CD2-CB 3.28Å; L29-E34 HydrophobicContact CD2-CG 4.13Å; L29-E34 WeakPolarHBondContact CD2-OE2 3.33Å; L32-E34 PolarHBondContact O-N 3.48Å; E34-P36 VanDerWaalsContact C-CD 3.45Å; E34-Q37 PolarHBondContact O-N 2.64Å; E34-Q37 VanDerWaalsContact O-N 3.16Å; E34-L38 PolarHBondContact O-N 3.4Å; E34-L38 VanDerWaalsContact O-N 3.09Å
35	L	63.1	Low	60.6	Low	39 Å²	39	66.1 Å²	66.1	20%	0.204	35%	0.353	C	S	.	.	H	α-helix	trans	-55.2	-41.7	179.5	-172.5	68.8	0	0	0	114.1	L32 T33 Q37 L38 V39 V64	L32-L35 WeakPolarHBondContact O-CB 3.43Å; L32-L35 PolarHBondContact O-N 2.81Å; L32-L35 VanDerWaalsContact O-N 3.13Å; T33-L35 VanDerWaalsContact C-N 3.32Å; L35-Q37 VanDerWaalsContact C-N 3.31Å; L35-Q37 PolarHBondContact O-N 3.15Å; L35-L38 HydrophobicContact CD1-CD2 4.21Å; L35-L38 WeakPolarHBondContact O-CB 3.42Å; L35-L38 PolarHBondContact O-N 2.94Å; L35-V39 WeakPolarHBondContact O-CG2 3.33Å; L35-V39 PolarHBondContact O-N 3.11Å; L35-V64 HydrophobicContact CD1-CG1 3.76Å
36	P	60.2	Low	61.2	Low	84 Å²	84	67.7 Å²	67.7	55%	0.545	36%	0.36	S	S	.	.	H	α-helix	trans	-62.2	-39.1	178.3	-23	35.1	0	0	0	112.7	T33 E34 V39 Q40	T33-P36 VanDerWaalsContact O-CD 3.31Å; T33-P36 WeakPolarHBondContact O-CD 3.29Å; E34-P36 VanDerWaalsContact C-CD 3.45Å; P36-V39 PolarHBondContact O-N 3.23Å; P36-Q40 WeakPolarHBondContact O-CB 3.49Å; P36-Q40 PolarHBondContact O-N 2.84Å
37	Q	62.3	Low	62	Low	109 Å²	109	72 Å²	72	51%	0.509	39%	0.391	S	S	.	.	H	α-helix	trans	-66.6	-42.3	177.8	-67.5	177.6	-8.5	0	0	110.5	E34 L35 V39 Q40 T41	E34-Q37 PolarHBondContact O-N 2.64Å; E34-Q37 VanDerWaalsContact O-N 3.16Å; L35-Q37 VanDerWaalsContact C-N 3.31Å; L35-Q37 PolarHBondContact O-N 3.15Å; Q37-V39 PolarHBondContact O-N 2.87Å; Q37-Q40 PolarHBondContact O-N 3.19Å; Q37-T41 WeakPolarHBondContact O-CB 3.44Å; Q37-T41 PolarHBondContact O-N 3.07Å; Q37-T41 PolarHBondContact O-OG1 2.81Å; Q37-T41 VanDerWaalsContact O-OG1 3.1Å
38	L	66	Low	62.8	Low	19 Å²	19	72.1 Å²	72.1	10%	0.099	39%	0.388	C	S	.	.	H	α-helix	trans	-60	-44.9	175.2	176.7	68.6	0	0	0	112.3	L26 L29 E34 L35 Q40 T41 I42 V64	L26-L38 HydrophobicContact CD1-CD1 4.17Å; L26-L38 HydrophobicContact CD2-CD1 3.48Å; L26-L38 VanDerWaalsContact CD2-CD1 3.48Å; L26-L38 HydrophobicContact CD2-CD2 3.35Å; L26-L38 HydrophobicContact CD2-CG 4.01Å; L26-L38 HydrophobicContact CG-CD1 3.66Å; L26-L38 HydrophobicContact CG-CD2 4.44Å; L29-L38 HydrophobicContact CD1-CD2 3.78Å; L29-L38 HydrophobicContact CD1-CG 4.5Å; E34-L38 PolarHBondContact O-N 3.4Å; E34-L38 VanDerWaalsContact O-N 3.09Å; L35-L38 HydrophobicContact CD1-CD2 4.21Å; L35-L38 WeakPolarHBondContact O-CB 3.42Å; L35-L38 PolarHBondContact O-N 2.94Å; L38-Q40 VanDerWaalsContact C-N 3.31Å; L38-Q40 PolarHBondContact O-N 2.86Å; L38-T41 WeakPolarHBondContact O-CB 3.46Å; L38-T41 PolarHBondContact O-N 2.02Å; L38-I42 HydrophobicContact CD1-CD1 4.16Å; L38-I42 HydrophobicContact CD1-CG1 4.47Å; L38-I42 HydrophobicContact CG-CD1 4Å; L38-I42 WeakPolarHBondContact O-CG1 3.46Å; L38-I42 PolarHBondContact O-N 3.46Å; L38-V64 HydrophobicContact CD2-CG2 4.27Å
39	V	67.8	Low	63.5	Low	78 Å²	78	72.5 Å²	72.5	47%	0.473	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-40.8	177.3	172.4	0	0	0	0	110.9	L35 P36 Q37 T41 I42 S43	L35-V39 WeakPolarHBondContact O-CG2 3.33Å; L35-V39 PolarHBondContact O-N 3.11Å; P36-V39 PolarHBondContact O-N 3.23Å; Q37-V39 PolarHBondContact O-N 2.87Å; V39-T41 VanDerWaalsContact C-N 3.35Å; V39-I42 PolarHBondContact O-N 3.24Å; V39-S43 WeakPolarHBondContact O-CB 3.49Å; V39-S43 PolarHBondContact O-N 3.4Å
40	Q	64.7	Low	64.5	Low	115 Å²	115	74.8 Å²	74.8	54%	0.537	40%	0.396	S	S	.	.	H	α-helix	trans	-64.2	-40.9	176.7	-169.6	174.5	9.6	0	0	112	A9 P36 Q37 L38 S43 C44	A9-Q40 HydrophobicContact CB-CG 3.97Å; P36-Q40 WeakPolarHBondContact O-CB 3.49Å; P36-Q40 PolarHBondContact O-N 2.84Å; Q37-Q40 PolarHBondContact O-N 3.19Å; L38-Q40 VanDerWaalsContact C-N 3.31Å; L38-Q40 PolarHBondContact O-N 2.86Å; Q40-S43 PolarHBondContact O-N 3.36Å; Q40-C44 WeakPolarHBondContact O-CB 3Å; Q40-C44 PolarHBondContact O-N 3.02Å
41	T	64.6	Low	65.6	Low	9 Å²	9	70.6 Å²	70.6	6%	0.055	39%	0.387	C	S	.	.	H	α-helix	trans	-58.7	-50.7	173.4	-71.7	0	0	0	0	111.7	V12 L22 Q37 L38 V39 S43 C44 I45	V12-T41 HydrophobicContact CB-CG2 4.4Å; V12-T41 HydrophobicContact CG1-CG2 3.3Å; V12-T41 WeakPolarHBondContact CG1-OG1 3.44Å; L22-T41 HydrophobicContact CD2-CG2 3.4Å; Q37-T41 WeakPolarHBondContact O-CB 3.44Å; Q37-T41 PolarHBondContact O-N 3.07Å; Q37-T41 PolarHBondContact O-OG1 2.81Å; Q37-T41 VanDerWaalsContact O-OG1 3.1Å; L38-T41 WeakPolarHBondContact O-CB 3.46Å; L38-T41 PolarHBondContact O-N 2.02Å; V39-T41 VanDerWaalsContact C-N 3.35Å; T41-S43 VanDerWaalsContact C-N 3.32Å; T41-S43 PolarHBondContact O-N 3.38Å; T41-C44 WeakPolarHBondContact O-CB 3.36Å; T41-C44 PolarHBondContact O-N 2.58Å; T41-C44 VanDerWaalsContact O-N 3.16Å; T41-I45 HydrophobicContact CG2-CD1 3.79Å; T41-I45 VanDerWaalsContact O-CG1 3.29Å; T41-I45 WeakPolarHBondContact O-CG1 3.45Å; T41-I45 PolarHBondContact O-N 2.65Å
42	I	67.3	Low	66.4	Low	10 Å²	10	66 Å²	66	5%	0.051	37%	0.366	C	S	.	.	H	α-helix	trans	-62.4	-42.6	179.1	-67.5	167.2	0	0	0	110.4	L38 V39 C44 I45 E46 A53 L56 L57 C60	L38-I42 HydrophobicContact CD1-CD1 4.16Å; L38-I42 HydrophobicContact CD1-CG1 4.47Å; L38-I42 HydrophobicContact CG-CD1 4Å; L38-I42 WeakPolarHBondContact O-CG1 3.46Å; L38-I42 PolarHBondContact O-N 3.46Å; V39-I42 PolarHBondContact O-N 3.24Å; I42-C44 VanDerWaalsContact C-N 3.3Å; I42-C44 PolarHBondContact O-N 3.31Å; I42-I45 PolarHBondContact O-N 2.95Å; I42-I45 VanDerWaalsContact O-N 3.15Å; I42-E46 WeakPolarHBondContact O-CB 3.42Å; I42-E46 PolarHBondContact O-N 2.9Å; I42-A53 HydrophobicContact CG2-CB 4.47Å; I42-L56 HydrophobicContact CG1-CB 4.39Å; I42-L57 HydrophobicContact CD1-CD2 4.31Å; I42-L57 HydrophobicContact CG2-CD1 4.25Å; I42-L57 HydrophobicContact CG2-CD2 3.77Å; I42-L57 HydrophobicContact CG2-CG 3.7Å; I42-C60 WeakPolarHBondContact CD1-SG 3.41Å
43	S	67.5	Low	67.1	Low	68 Å²	68	63 Å²	63	48%	0.476	35%	0.35	S	S	.	.	H	α-helix	trans	-60.8	-39	176	-170.8	0	0	0	0	112.2	V39 Q40 T41 E46 S47	V39-S43 WeakPolarHBondContact O-CB 3.49Å; V39-S43 PolarHBondContact O-N 3.4Å; Q40-S43 PolarHBondContact O-N 3.36Å; T41-S43 VanDerWaalsContact C-N 3.32Å; T41-S43 PolarHBondContact O-N 3.38Å; S43-E46 PolarHBondContact O-N 3.43Å; S43-S47 PolarHBondContact O-N 2.91Å
44	C	64.9	Low	67.9	Low	21 Å²	21	62 Å²	62	14%	0.142	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-41.8	174.1	-170.9	0	0	0	0	112.2	C13 Q40 T41 I42 S47	C13-C44 VanDerWaalsContact CA-SG 3.59Å; C13-C44 HydrophobicContact CB-CB 4.41Å; C13-C44 WeakPolarHBondContact CB-SG 3.33Å; C13-C44 WeakPolarHBondContact SG-CB 3.33Å; C13-C44 CovalentContact SG-SG 2.02Å; C13-C44 PolarHBondContact SG-SG 3.1Å; Q40-C44 WeakPolarHBondContact O-CB 3Å; Q40-C44 PolarHBondContact O-N 3.02Å; T41-C44 WeakPolarHBondContact O-CB 3.36Å; T41-C44 PolarHBondContact O-N 2.58Å; T41-C44 VanDerWaalsContact O-N 3.16Å; I42-C44 VanDerWaalsContact C-N 3.3Å; I42-C44 PolarHBondContact O-N 3.31Å; C44-S47 PolarHBondContact O-N 3.39Å; C44-S47 PolarHBondContact O-OG 3.17Å
45	I	67.3	Low	68.3	Low	18 Å²	18	63.1 Å²	63.1	9%	0.092	35%	0.35	C	S	.	.	H	α-helix	trans	-66.7	-40	177.6	-64.9	163.1	0	0	0	110.6	L22 T41 I42 S47 K48 D49 L52 A53 L56	L22-I45 HydrophobicContact CD1-CD1 3.4Å; L22-I45 VanDerWaalsContact CD1-CD1 3.4Å; L22-I45 HydrophobicContact CD2-CD1 4Å; L22-I45 HydrophobicContact CG-CD1 4.35Å; T41-I45 HydrophobicContact CG2-CD1 3.79Å; T41-I45 VanDerWaalsContact O-CG1 3.29Å; T41-I45 WeakPolarHBondContact O-CG1 3.45Å; T41-I45 PolarHBondContact O-N 2.65Å; I42-I45 PolarHBondContact O-N 2.95Å; I42-I45 VanDerWaalsContact O-N 3.15Å; I45-S47 PolarHBondContact O-N 3.08Å; I45-S47 VanDerWaalsContact O-N 3.15Å; I45-K48 CarbonylContact O-C 3.58Å; I45-K48 WeakPolarHBondContact O-CA 3.37Å; I45-K48 PolarHBondContact O-N 2.9Å; I45-D49 CarbonylContact O-C 3.58Å; I45-D49 PolarHBondContact O-N 2.78Å; I45-L52 HydrophobicContact CG2-CB 4.19Å; I45-L52 HydrophobicContact CG2-CD2 3.91Å; I45-L52 HydrophobicContact CG2-CG 3.86Å; I45-A53 HydrophobicContact CG2-CB 4.17Å; I45-L56 HydrophobicContact CD1-CD1 3.54Å; I45-L56 HydrophobicContact CG2-CD1 4.3Å
46	E	70.7	Confident	68.6	Low	91 Å²	91	61.5 Å²	61.5	43%	0.425	34%	0.342	S	S	.	.	H	α-helix	trans	-57	-34.1	178.9	-167.8	-175.1	-180	0	0	112.2	I42 S43 K48 T50 A53	I42-E46 WeakPolarHBondContact O-CB 3.42Å; I42-E46 PolarHBondContact O-N 2.9Å; S43-E46 PolarHBondContact O-N 3.43Å; E46-K48 PolarHBondContact O-N 2.91Å; E46-T50 HydrophobicContact CG-CG2 4.39Å; E46-T50 PolarHBondContact O-OG1 2.9Å; E46-A53 VanDerWaalsContact CA-CB 3.42Å; E46-A53 HydrophobicContact CB-CB 3.63Å; E46-A53 HydrophobicContact CG-CB 4.06Å
47	S	70.3	Confident	69.1	Low	96 Å²	96	61 Å²	61	67%	0.671	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.8	175.7	78.8	0	0	0	0	114.3	S43 C44 I45	S43-S47 PolarHBondContact O-N 2.91Å; C44-S47 PolarHBondContact O-N 3.39Å; C44-S47 PolarHBondContact O-OG 3.17Å; I45-S47 PolarHBondContact O-N 3.08Å; I45-S47 VanDerWaalsContact O-N 3.15Å
48	K	70.7	Confident	69.5	Low	125 Å²	125	60.6 Å²	60.6	54%	0.543	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-44.2	-175.9	-61.4	-175.6	179.5	-163.7	0	113.1	C13 I45 E46	C13-K48 PolarHBondContact O-NZ 2.93Å; I45-K48 CarbonylContact O-C 3.58Å; I45-K48 WeakPolarHBondContact O-CA 3.37Å; I45-K48 PolarHBondContact O-N 2.9Å; E46-K48 PolarHBondContact O-N 2.91Å
49	D	73.9	Confident	69.6	Low	71 Å²	71	61.4 Å²	61.4	38%	0.38	34%	0.339	S	S	.	.			trans	-144.6	88.8	-175	-169.2	-25.4	0	0	0	109	I45 P51 L52 A53	I45-D49 CarbonylContact O-C 3.58Å; I45-D49 PolarHBondContact O-N 2.78Å; D49-P51 WeakPolarHBondContact OD1-CD 3.46Å; D49-L52 HydrophobicContact CB-CB 3.91Å; D49-L52 VanDerWaalsContact CG-CB 3.42Å; D49-L52 PolarHBondContact O-N 2.97Å; D49-L52 WeakPolarHBondContact OD1-CB 3.2Å; D49-L52 PolarHBondContact OD1-N 2.85Å; D49-A53 PolarHBondContact O-N 3.19Å
50	T	74.3	Confident	69.7	Low	70 Å²	70	58.4 Å²	58.4	43%	0.429	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-42.4	179.9	-43	0	0	0	0	113	E46 L52 A53 N54	E46-T50 HydrophobicContact CG-CG2 4.39Å; E46-T50 PolarHBondContact O-OG1 2.9Å; T50-L52 VanDerWaalsContact C-N 3.34Å; T50-L52 PolarHBondContact O-N 2.97Å; T50-A53 PolarHBondContact O-N 3.39Å; T50-N54 PolarHBondContact O-N 3.39Å; T50-N54 PolarHBondContact O-ND2 2.94Å
51	P	73.6	Confident	69.7	Low	87 Å²	87	55 Å²	55	57%	0.565	31%	0.314	S	S	*	.	H	α-helix	trans	-53.4	-48.3	171.4	-27.4	33.7	0	0	0	113.2	D49 A53 N54 D55	D49-P51 WeakPolarHBondContact OD1-CD 3.46Å; P51-A53 PolarHBondContact O-N 3.16Å; P51-N54 PolarHBondContact O-N 3.43Å; P51-D55 PolarHBondContact O-N 3.28Å; P51-D55 VanDerWaalsContact O-N 3.09Å
52	L	72.4	Confident	69.7	Low	27 Å²	27	61.3 Å²	61.3	14%	0.141	34%	0.342	C	S	.	.	H	α-helix	trans	-64	-42.3	178.7	175.9	53.9	0	0	0	112.3	T19 I45 D49 T50 N54 D55 L56	T19-L52 HydrophobicContact CG2-CD1 3.17Å; T19-L52 HydrophobicContact CG2-CD2 3.97Å; T19-L52 HydrophobicContact CG2-CG 4.19Å; I45-L52 HydrophobicContact CG2-CB 4.19Å; I45-L52 HydrophobicContact CG2-CD2 3.91Å; I45-L52 HydrophobicContact CG2-CG 3.86Å; D49-L52 HydrophobicContact CB-CB 3.91Å; D49-L52 VanDerWaalsContact CG-CB 3.42Å; D49-L52 PolarHBondContact O-N 2.97Å; D49-L52 WeakPolarHBondContact OD1-CB 3.2Å; D49-L52 PolarHBondContact OD1-N 2.85Å; T50-L52 VanDerWaalsContact C-N 3.34Å; T50-L52 PolarHBondContact O-N 2.97Å; L52-N54 VanDerWaalsContact C-N 3.26Å; L52-N54 PolarHBondContact O-N 3.36Å; L52-D55 PolarHBondContact O-N 3.1Å; L52-L56 HydrophobicContact CD1-CD1 4.11Å; L52-L56 HydrophobicContact CD1-CG 4.12Å; L52-L56 HydrophobicContact CG-CD1 4.04Å; L52-L56 WeakPolarHBondContact O-CG 3.26Å; L52-L56 PolarHBondContact O-N 2.9Å
53	A	70.4	Confident	69.7	Low	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-60.2	-38.4	177	0	0	0	0	0	112.1	I42 I45 E46 D49 T50 P51 L56 L57	I42-A53 HydrophobicContact CG2-CB 4.47Å; I45-A53 HydrophobicContact CG2-CB 4.17Å; E46-A53 VanDerWaalsContact CA-CB 3.42Å; E46-A53 HydrophobicContact CB-CB 3.63Å; E46-A53 HydrophobicContact CG-CB 4.06Å; D49-A53 PolarHBondContact O-N 3.19Å; T50-A53 PolarHBondContact O-N 3.39Å; P51-A53 PolarHBondContact O-N 3.16Å; A53-L56 PolarHBondContact O-N 3.4Å; A53-L57 WeakPolarHBondContact O-CB 3.44Å; A53-L57 VanDerWaalsContact O-CG 3.27Å; A53-L57 WeakPolarHBondContact O-CG 3.42Å; A53-L57 PolarHBondContact O-N 2.84Å
54	N	72.3	Confident	69.7	Low	79 Å²	79	60.1 Å²	60.1	42%	0.422	33%	0.332	S	S	.	.	H	α-helix	trans	-65.2	-44.5	175.2	-70.9	-35.7	0	0	0	112.1	T50 P51 L52 L56 L57 D58	T50-N54 PolarHBondContact O-N 3.39Å; T50-N54 PolarHBondContact O-ND2 2.94Å; P51-N54 PolarHBondContact O-N 3.43Å; L52-N54 VanDerWaalsContact C-N 3.26Å; L52-N54 PolarHBondContact O-N 3.36Å; N54-L56 VanDerWaalsContact C-N 3.27Å; N54-L56 PolarHBondContact O-N 3.18Å; N54-L57 PolarHBondContact O-N 2.95Å; N54-D58 WeakPolarHBondContact O-CB 3.39Å; N54-D58 PolarHBondContact O-N 3.39Å
55	D	70.6	Confident	69.5	Low	110 Å²	110	62.9 Å²	62.9	59%	0.588	35%	0.345	S	S	*	.	H	α-helix	trans	-60.6	-38.8	176.3	-71.9	-16.4	0	0	0	111.5	P51 L52 L59	P51-D55 PolarHBondContact O-N 3.28Å; P51-D55 VanDerWaalsContact O-N 3.09Å; L52-D55 PolarHBondContact O-N 3.1Å; D55-L59 WeakPolarHBondContact O-CB 3.49Å; D55-L59 PolarHBondContact O-N 2.89Å
56	L	69	Low	69.3	Low	5 Å²	5	65.1 Å²	65.1	3%	0.026	36%	0.361	C	S	.	.	H	α-helix	trans	-68.7	-40.9	175.3	-71.2	168.3	0	0	0	112.2	L22 L26 I42 I45 L52 A53 N54 L59 C60	L22-L56 HydrophobicContact CB-CD2 3.94Å; L22-L56 HydrophobicContact CD1-CD1 3.9Å; L26-L56 HydrophobicContact CD1-CD2 4.06Å; I42-L56 HydrophobicContact CG1-CB 4.39Å; I45-L56 HydrophobicContact CD1-CD1 3.54Å; I45-L56 HydrophobicContact CG2-CD1 4.3Å; L52-L56 HydrophobicContact CD1-CD1 4.11Å; L52-L56 HydrophobicContact CD1-CG 4.12Å; L52-L56 HydrophobicContact CG-CD1 4.04Å; L52-L56 WeakPolarHBondContact O-CG 3.26Å; L52-L56 PolarHBondContact O-N 2.9Å; A53-L56 PolarHBondContact O-N 3.4Å; N54-L56 VanDerWaalsContact C-N 3.27Å; N54-L56 PolarHBondContact O-N 3.18Å; L56-L59 PolarHBondContact O-N 3.37Å; L56-C60 WeakPolarHBondContact O-CB 3Å; L56-C60 PolarHBondContact O-N 3.47Å; L56-C60 PolarHBondContact O-SG 3.38Å
57	L	71	Confident	69.2	Low	74 Å²	74	66.1 Å²	66.1	39%	0.387	36%	0.361	S	S	.	.	H	α-helix	trans	-62.1	-44.8	174.9	-77.7	168.1	0	0	0	111.3	I42 A53 N54 L59 C60 A61	I42-L57 HydrophobicContact CD1-CD2 4.31Å; I42-L57 HydrophobicContact CG2-CD1 4.25Å; I42-L57 HydrophobicContact CG2-CD2 3.77Å; I42-L57 HydrophobicContact CG2-CG 3.7Å; A53-L57 WeakPolarHBondContact O-CB 3.44Å; A53-L57 VanDerWaalsContact O-CG 3.27Å; A53-L57 WeakPolarHBondContact O-CG 3.42Å; A53-L57 PolarHBondContact O-N 2.84Å; N54-L57 PolarHBondContact O-N 2.95Å; L57-L59 VanDerWaalsContact C-N 3.27Å; L57-L59 PolarHBondContact O-N 2.79Å; L57-C60 WeakPolarHBondContact O-CB 3.39Å; L57-C60 PolarHBondContact O-N 3.42Å; L57-A61 WeakPolarHBondContact O-CB 3.5Å; L57-A61 PolarHBondContact O-N 2.96Å
58	D	69.9	Low	68.9	Low	99 Å²	99	64.2 Å²	64.2	53%	0.529	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-37.3	176.7	-81	-13	0	0	0	111.5	N54 A61 Q62	N54-D58 WeakPolarHBondContact O-CB 3.39Å; N54-D58 PolarHBondContact O-N 3.39Å; D58-A61 PolarHBondContact O-N 3.04Å; D58-Q62 WeakPolarHBondContact O-CG 3.19Å; D58-Q62 PolarHBondContact O-N 3.32Å; D58-Q62 VanDerWaalsContact O-N 3.11Å; D58-Q62 PolarHBondContact O-NE2 3.12Å
59	L	68.6	Low	68.5	Low	36 Å²	36	63.9 Å²	63.9	19%	0.188	34%	0.343	C	S	.	.	H	α-helix	trans	-70	-43	174.5	-177.5	73.1	0	0	0	112.2	L23 L26 D55 L56 L57 A61 Q62 V63	L23-L59 HydrophobicContact CD1-CD2 4.41Å; L23-L59 HydrophobicContact CD2-CD1 4.03Å; L23-L59 HydrophobicContact CD2-CD2 3.22Å; L23-L59 HydrophobicContact CD2-CG 4.24Å; L23-L59 HydrophobicContact CG-CD2 3.44Å; L23-L59 VanDerWaalsContact CG-CD2 3.44Å; L26-L59 HydrophobicContact CD1-CD2 3.93Å; D55-L59 WeakPolarHBondContact O-CB 3.49Å; D55-L59 PolarHBondContact O-N 2.89Å; L56-L59 PolarHBondContact O-N 3.37Å; L57-L59 VanDerWaalsContact C-N 3.27Å; L57-L59 PolarHBondContact O-N 2.79Å; L59-A61 PolarHBondContact O-N 3.23Å; L59-Q62 PolarHBondContact O-N 3.45Å; L59-V63 HydrophobicContact CD1-CG2 4.22Å; L59-V63 PolarHBondContact O-N 2.91Å
60	C	69.2	Low	68.1	Low	16 Å²	16	68.5 Å²	68.5	11%	0.108	36%	0.355	C	S	.	.	H	α-helix	trans	-57.8	-41	173.3	-68.7	0	0	0	0	110.4	L26 I42 L56 L57 Q62 V63 V64 L65	L26-C60 WeakPolarHBondContact CD2-SG 3.49Å; I42-C60 WeakPolarHBondContact CD1-SG 3.41Å; L56-C60 WeakPolarHBondContact O-CB 3Å; L56-C60 PolarHBondContact O-N 3.47Å; L56-C60 PolarHBondContact O-SG 3.38Å; L57-C60 WeakPolarHBondContact O-CB 3.39Å; L57-C60 PolarHBondContact O-N 3.42Å; C60-Q62 VanDerWaalsContact C-N 3.28Å; C60-Q62 PolarHBondContact O-N 2.96Å; C60-V63 PolarHBondContact O-N 3.33Å; C60-V64 HydrophobicContact CB-CG2 4.37Å; C60-V64 WeakPolarHBondContact O-CA 3.1Å; C60-V64 WeakPolarHBondContact O-CB 3.48Å; C60-V64 PolarHBondContact O-N 3.44Å; C60-L65 PolarHBondContact O-N 2.88Å
61	A	65.7	Low	67.6	Low	44 Å²	44	67.8 Å²	67.8	36%	0.364	35%	0.353	S	S	.	.	H	α-helix	trans	-63.2	-34.3	175.8	0	0	0	0	0	112.5	L57 D58 L59 L65	L57-A61 WeakPolarHBondContact O-CB 3.5Å; L57-A61 PolarHBondContact O-N 2.96Å; D58-A61 PolarHBondContact O-N 3.04Å; L59-A61 PolarHBondContact O-N 3.23Å; A61-L65 HydrophobicContact CB-CD1 3.77Å; A61-L65 WeakPolarHBondContact O-CB 3.38Å
62	Q	64.6	Low	66.9	Low	141 Å²	141	66.3 Å²	66.3	66%	0.659	34%	0.344	S	S	*	.	H	α-helix	trans	-79.3	-30.7	178.9	-73.6	172.6	63.1	0	0	114	D58 L59 C60 P66	D58-Q62 WeakPolarHBondContact O-CG 3.19Å; D58-Q62 PolarHBondContact O-N 3.32Å; D58-Q62 VanDerWaalsContact O-N 3.11Å; D58-Q62 PolarHBondContact O-NE2 3.12Å; L59-Q62 PolarHBondContact O-N 3.45Å; C60-Q62 VanDerWaalsContact C-N 3.28Å; C60-Q62 PolarHBondContact O-N 2.96Å; Q62-P66 WeakPolarHBondContact O-CG 3.44Å
63	V	67.6	Low	66.5	Low	34 Å²	34	71.2 Å²	71.2	21%	0.206	37%	0.366	C	S	.	.	H	α-helix	trans	-106.2	-47.5	-173.2	-178.2	0	0	0	0	112.3	L59 C60 R67	L59-V63 HydrophobicContact CD1-CG2 4.22Å; L59-V63 PolarHBondContact O-N 2.91Å; C60-V63 PolarHBondContact O-N 3.33Å; V63-R67 WeakPolarHBondContact O-CG 3.41Å
64	V	66.4	Low	66.3	Low	18 Å²	18	76.5 Å²	76.5	11%	0.109	39%	0.391	C	S	.	.	H	α-helix	trans	-81.2	-43.4	-172	-176.6	0	0	0	0	111	L26 L32 L35 L38 C60 R67 L68	L26-V64 HydrophobicContact CD2-CG2 4.03Å; L32-V64 HydrophobicContact CD2-CG1 4.12Å; L35-V64 HydrophobicContact CD1-CG1 3.76Å; L38-V64 HydrophobicContact CD2-CG2 4.27Å; C60-V64 HydrophobicContact CB-CG2 4.37Å; C60-V64 WeakPolarHBondContact O-CA 3.1Å; C60-V64 WeakPolarHBondContact O-CB 3.48Å; C60-V64 PolarHBondContact O-N 3.44Å; V64-R67 PolarHBondContact O-N 2.92Å; V64-L68 PolarHBondContact O-N 2.84Å
65	L	61.6	Low	65.7	Low	80 Å²	80	77.6 Å²	77.6	42%	0.419	40%	0.396	S	S	.	.	H	α-helix	trans	-59.8	-48.6	-179	-68.1	173.7	0	0	0	112.8	C60 A61 R67 L68 E69	C60-L65 PolarHBondContact O-N 2.88Å; A61-L65 HydrophobicContact CB-CD1 3.77Å; A61-L65 WeakPolarHBondContact O-CB 3.38Å; L65-R67 PolarHBondContact O-N 3.2Å; L65-L68 PolarHBondContact O-N 2.94Å; L65-L68 VanDerWaalsContact O-N 3.13Å; L65-E69 WeakPolarHBondContact O-CG 3.08Å; L65-E69 PolarHBondContact O-N 3.41Å
66	P	63.5	Low	65.1	Low	64 Å²	64	75.5 Å²	75.5	42%	0.416	39%	0.387	S	S	.	.	H	α-helix	trans	-63.4	-30.4	179.3	-24.9	36.8	0	0	0	113.2	Q62 R70	Q62-P66 WeakPolarHBondContact O-CG 3.44Å; P66-R70 WeakPolarHBondContact O-CB 3.49Å; P66-R70 PolarHBondContact O-N 2.65Å; P66-R70 VanDerWaalsContact O-N 3.14Å
67	R	68.1	Low	64.9	Low	113 Å²	113	78.8 Å²	78.8	43%	0.426	41%	0.405	S	S	.	.	H	α-helix	trans	-70	-43.5	174.9	-71.1	178.7	-178.7	-173.4	4	111.2	L29 V63 V64 L65 R70 S71	L29-R67 PolarHBondContact O-NH1 2.84Å; V63-R67 WeakPolarHBondContact O-CG 3.41Å; V64-R67 PolarHBondContact O-N 2.92Å; L65-R67 PolarHBondContact O-N 3.2Å; R67-R70 PolarHBondContact O-N 3.45Å; R67-S71 PolarHBondContact O-N 3.47Å; R67-S71 PolarHBondContact O-OG 3.09Å
68	L	63.1	Low	64.5	Low	56 Å²	56	78 Å²	78	29%	0.293	40%	0.404	S	S	.	.	H	α-helix	trans	-63.2	-45.4	176.5	-177.4	64.1	0	0	0	111.4	L32 V64 L65 R70 S71 C72	L32-L68 HydrophobicContact CD1-CB 4.45Å; L32-L68 HydrophobicContact CD1-CD1 3.63Å; L32-L68 HydrophobicContact CD2-CB 4.1Å; L32-L68 HydrophobicContact CD2-CD1 4.07Å; L32-L68 HydrophobicContact CG-CD1 4.4Å; V64-L68 PolarHBondContact O-N 2.84Å; L65-L68 PolarHBondContact O-N 2.94Å; L65-L68 VanDerWaalsContact O-N 3.13Å; L68-R70 VanDerWaalsContact C-N 3.33Å; L68-R70 PolarHBondContact O-N 2.97Å; L68-S71 PolarHBondContact O-N 3.41Å; L68-C72 WeakPolarHBondContact O-CB 3.29Å; L68-C72 PolarHBondContact O-N 3.37Å; L68-C72 PolarHBondContact O-SG 3.21Å
69	E	62.7	Low	63.8	Low	117 Å²	117	78.1 Å²	78.1	55%	0.547	40%	0.403	S	S	.	.	H	α-helix	trans	-55.8	-48.2	175.5	-74.3	176.9	165.5	0	0	110.9	L65 S71 C72 E73	L65-E69 WeakPolarHBondContact O-CG 3.08Å; L65-E69 PolarHBondContact O-N 3.41Å; E69-S71 PolarHBondContact O-N 3.28Å; E69-C72 WeakPolarHBondContact O-CB 3.33Å; E69-C72 PolarHBondContact O-N 3.25Å; E69-E73 WeakPolarHBondContact O-CG 3.33Å; E69-E73 PolarHBondContact O-N 3.02Å
70	R	66.2	Low	63.3	Low	169 Å²	169	83.6 Å²	83.6	64%	0.638	42%	0.422	S	S	*	.	H	α-helix	trans	-61	-45.5	177	-167.7	-177.5	-154.3	160.5	9.5	112.9	P66 R67 L68 C72 E73 E74	P66-R70 WeakPolarHBondContact O-CB 3.49Å; P66-R70 PolarHBondContact O-N 2.65Å; P66-R70 VanDerWaalsContact O-N 3.14Å; R67-R70 PolarHBondContact O-N 3.45Å; L68-R70 VanDerWaalsContact C-N 3.33Å; L68-R70 PolarHBondContact O-N 2.97Å; R70-C72 VanDerWaalsContact C-N 3.3Å; R70-C72 PolarHBondContact O-N 3.16Å; R70-E73 PolarHBondContact O-N 3.13Å; R70-E74 WeakPolarHBondContact O-CG 3.34Å; R70-E74 PolarHBondContact O-N 2.82Å
71	S	64.1	Low	62.9	Low	54 Å²	54	89.4 Å²	89.4	38%	0.378	44%	0.441	S	S	.	.	H	α-helix	trans	-63.8	-36.9	177.5	-67	0	0	0	0	112	R67 L68 E69 L75	R67-S71 PolarHBondContact O-N 3.47Å; R67-S71 PolarHBondContact O-OG 3.09Å; L68-S71 PolarHBondContact O-N 3.41Å; E69-S71 PolarHBondContact O-N 3.28Å; S71-L75 WeakPolarHBondContact O-CB 3.44Å; S71-L75 PolarHBondContact O-N 3.41Å
72	C	58.4	Low	62.5	Low	56 Å²	56	90.9 Å²	90.9	38%	0.378	45%	0.445	S	S	.	.	H	α-helix	trans	-65.7	-43	173.7	-72.4	0	0	0	0	111.9	L68 E69 R70 L75 V76	L68-C72 WeakPolarHBondContact O-CB 3.29Å; L68-C72 PolarHBondContact O-N 3.37Å; L68-C72 PolarHBondContact O-SG 3.21Å; E69-C72 WeakPolarHBondContact O-CB 3.33Å; E69-C72 PolarHBondContact O-N 3.25Å; R70-C72 VanDerWaalsContact C-N 3.3Å; R70-C72 PolarHBondContact O-N 3.16Å; C72-L75 PolarHBondContact O-N 3.14Å; C72-V76 VanDerWaalsContact O-CG2 3.31Å; C72-V76 WeakPolarHBondContact O-CG2 3.39Å; C72-V76 PolarHBondContact O-N 3.24Å
73	E	63.1	Low	61.9	Low	131 Å²	131	87.7 Å²	87.7	61%	0.612	44%	0.436	S	S	*	.	H	α-helix	trans	-59.1	-47	174.7	-73.7	176	175.5	0	0	111.6	E69 R70 L75 V76 D77	E69-E73 WeakPolarHBondContact O-CG 3.33Å; E69-E73 PolarHBondContact O-N 3.02Å; R70-E73 PolarHBondContact O-N 3.13Å; E73-L75 VanDerWaalsContact C-N 3.29Å; E73-L75 PolarHBondContact O-N 2.86Å; E73-V76 PolarHBondContact O-N 2.92Å; E73-D77 PolarHBondContact O-N 3.32Å
74	E	67.6	Low	61.4	Low	111 Å²	111	90.6 Å²	90.6	52%	0.519	45%	0.45	S	S	.	.	H	α-helix	trans	-60.8	-37.6	177.1	-73.1	175.7	-173.2	0	0	112.5	R70 T78	R70-E74 WeakPolarHBondContact O-CG 3.34Å; R70-E74 PolarHBondContact O-N 2.82Å; E74-T78 WeakPolarHBondContact O-CB 3.31Å; E74-T78 PolarHBondContact O-N 3.14Å; E74-T78 PolarHBondContact O-OG1 2.8Å
75	L	58.4	Low	60.8	Low	101 Å²	101	96.6 Å²	96.6	53%	0.529	47%	0.474	S	S	.	.	H	α-helix	trans	-69.3	-44.6	176.4	-175.5	64.4	0	0	0	111.6	S71 C72 E73 D77 T78 L79	S71-L75 WeakPolarHBondContact O-CB 3.44Å; S71-L75 PolarHBondContact O-N 3.41Å; C72-L75 PolarHBondContact O-N 3.14Å; E73-L75 VanDerWaalsContact C-N 3.29Å; E73-L75 PolarHBondContact O-N 2.86Å; L75-D77 VanDerWaalsContact C-N 3.31Å; L75-D77 PolarHBondContact O-N 2.8Å; L75-T78 WeakPolarHBondContact O-CB 3.14Å; L75-T78 PolarHBondContact O-N 2.97Å; L75-T78 VanDerWaalsContact O-N 3.14Å; L75-L79 HydrophobicContact CG-CD1 4.41Å; L75-L79 WeakPolarHBondContact O-CG 3.44Å; L75-L79 PolarHBondContact O-N 2.76Å
76	V	59	Low	60.2	Low	67 Å²	67	101.4 Å²	101.4	41%	0.406	49%	0.487	S	S	.	.	H	α-helix	trans	-59.9	-44.3	175.7	168.5	0	0	0	0	110.4	C72 E73 T78 L79 R80	C72-V76 VanDerWaalsContact O-CG2 3.31Å; C72-V76 WeakPolarHBondContact O-CG2 3.39Å; C72-V76 PolarHBondContact O-N 3.24Å; E73-V76 PolarHBondContact O-N 2.92Å; V76-T78 VanDerWaalsContact C-N 3.3Å; V76-T78 PolarHBondContact O-N 3.01Å; V76-L79 PolarHBondContact O-N 2.96Å; V76-R80 WeakPolarHBondContact O-CB 3.42Å; V76-R80 WeakPolarHBondContact O-CG 3.23Å; V76-R80 PolarHBondContact O-N 3.03Å
77	D	63.8	Low	59.6	Low	73 Å²	73	102.2 Å²	102.2	39%	0.39	49%	0.488	S	S	.	.	H	α-helix	trans	-64.8	-35.9	176	-83.2	-7.4	0	0	0	112.4	E73 L75 R80 R81	E73-D77 PolarHBondContact O-N 3.32Å; L75-D77 VanDerWaalsContact C-N 3.31Å; L75-D77 PolarHBondContact O-N 2.8Å; D77-R80 PolarHBondContact O-N 3.33Å; D77-R80 IonicContact OD1-NH1 3.23Å; D77-R80 PolarHBondContact OD1-NH1 3.48Å; D77-R81 WeakPolarHBondContact O-CG 3.19Å; D77-R81 PolarHBondContact O-N 3.24Å
78	T	64.1	Low	58.9	Low	59 Å²	59	103 Å²	103	36%	0.362	50%	0.496	S	S	.	.	H	α-helix	trans	-64.5	-46.7	173.4	-60.3	0	0	0	0	111.4	E74 L75 V76 R80 R81 V82	E74-T78 WeakPolarHBondContact O-CB 3.31Å; E74-T78 PolarHBondContact O-N 3.14Å; E74-T78 PolarHBondContact O-OG1 2.8Å; L75-T78 WeakPolarHBondContact O-CB 3.14Å; L75-T78 PolarHBondContact O-N 2.97Å; L75-T78 VanDerWaalsContact O-N 3.14Å; V76-T78 VanDerWaalsContact C-N 3.3Å; V76-T78 PolarHBondContact O-N 3.01Å; T78-R80 PolarHBondContact O-N 2.78Å; T78-R81 PolarHBondContact O-N 2.97Å; T78-R81 PolarHBondContact OG1-NH2 3.39Å; T78-V82 WeakPolarHBondContact O-CG2 3.25Å; T78-V82 PolarHBondContact O-N 2.73Å
79	L	54.9	Low	58.5	Low	100 Å²	100	106 Å²	106	52%	0.524	52%	0.517	S	S	.	.	H	α-helix	trans	-59.7	-46.2	175.7	-75.6	169.2	0	0	0	111	L75 V76 R81 V82 T83	L75-L79 HydrophobicContact CG-CD1 4.41Å; L75-L79 WeakPolarHBondContact O-CG 3.44Å; L75-L79 PolarHBondContact O-N 2.76Å; V76-L79 PolarHBondContact O-N 2.96Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 3.41Å; L79-V82 PolarHBondContact O-N 2.77Å; L79-V82 VanDerWaalsContact O-N 3.12Å; L79-T83 PolarHBondContact O-N 3Å; L79-T83 PolarHBondContact O-OG1 3.13Å
80	R	57.4	Low	57.8	Low	151 Å²	151	106.1 Å²	106.1	57%	0.57	52%	0.521	S	S	*	.	H	α-helix	trans	-55.3	-46.5	174.7	-76.1	171.7	174.2	169.7	-4.9	112	V76 D77 T78 V82 T83 L84	V76-R80 WeakPolarHBondContact O-CB 3.42Å; V76-R80 WeakPolarHBondContact O-CG 3.23Å; V76-R80 PolarHBondContact O-N 3.03Å; D77-R80 PolarHBondContact O-N 3.33Å; D77-R80 IonicContact OD1-NH1 3.23Å; D77-R80 PolarHBondContact OD1-NH1 3.48Å; T78-R80 PolarHBondContact O-N 2.78Å; R80-V82 PolarHBondContact O-N 3.04Å; R80-T83 PolarHBondContact O-N 3.23Å; R80-L84 VanDerWaalsContact O-CB 3.27Å; R80-L84 WeakPolarHBondContact O-CB 3.3Å; R80-L84 PolarHBondContact O-N 3.04Å
81	R	61.2	Low	56.7	Low	139 Å²	139	105.1 Å²	105.1	53%	0.525	52%	0.517	S	S	.	.	H	α-helix	trans	-62.5	-40.6	176.7	-73.8	-172.8	-61	-97.7	3.2	112.4	D77 T78 L79 K85	D77-R81 WeakPolarHBondContact O-CG 3.19Å; D77-R81 PolarHBondContact O-N 3.24Å; T78-R81 PolarHBondContact O-N 2.97Å; T78-R81 PolarHBondContact OG1-NH2 3.39Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 3.41Å; R81-K85 WeakPolarHBondContact O-CB 3.41Å; R81-K85 WeakPolarHBondContact O-CG 3.2Å; R81-K85 PolarHBondContact O-N 3.34Å
82	V	56.8	Low	55.6	Low	74 Å²	74	113.6 Å²	113.6	45%	0.448	54%	0.541	S	S	.	.	H	α-helix	trans	-68.8	-44.7	179.4	172.2	0	0	0	0	111	T78 L79 R80 K85 R86	T78-V82 WeakPolarHBondContact O-CG2 3.25Å; T78-V82 PolarHBondContact O-N 2.73Å; L79-V82 PolarHBondContact O-N 2.77Å; L79-V82 VanDerWaalsContact O-N 3.12Å; R80-V82 PolarHBondContact O-N 3.04Å; V82-K85 PolarHBondContact O-N 2.8Å; V82-R86 PolarHBondContact O-N 2.9Å
83	T	52.4	Low	54.8	Low	75 Å²	75	119.8 Å²	119.8	46%	0.46	56%	0.562	S	S	.	*	H	α-helix	trans	-62.8	-44.7	176.7	-52	0	0	0	0	110.8	L79 R80 K85 R86 D87	L79-T83 PolarHBondContact O-N 3Å; L79-T83 PolarHBondContact O-OG1 3.13Å; R80-T83 PolarHBondContact O-N 3.23Å; T83-K85 VanDerWaalsContact C-N 3.34Å; T83-K85 PolarHBondContact O-N 3.23Å; T83-R86 CarbonylContact O-C 3.55Å; T83-R86 WeakPolarHBondContact O-CA 3.48Å; T83-R86 WeakPolarHBondContact O-CB 3.44Å; T83-R86 PolarHBondContact O-N 3.23Å; T83-D87 PolarHBondContact O-N 2.87Å
84	L	56.7	Low	53.5	Low	94 Å²	94	119.2 Å²	119.2	49%	0.492	57%	0.569	S	S	.	*	H	α-helix	trans	-60.2	-42.3	175.7	-172.9	73.7	0	0	0	112.1	R80 R86 D87 Q88	R80-L84 VanDerWaalsContact O-CB 3.27Å; R80-L84 WeakPolarHBondContact O-CB 3.3Å; R80-L84 PolarHBondContact O-N 3.04Å; L84-R86 VanDerWaalsContact C-N 3.31Å; L84-R86 PolarHBondContact O-N 3.3Å; L84-D87 PolarHBondContact O-N 2.76Å; L84-Q88 WeakPolarHBondContact O-CG 3.42Å; L84-Q88 PolarHBondContact O-N 3.21Å
85	K	54	Low	52	Low	145 Å²	145	119.4 Å²	119.4	63%	0.63	58%	0.578	S	S	*	*	H	α-helix	trans	-60.6	-41.6	173.8	-80.8	-177.9	178.3	-175.4	0	111.4	R81 V82 T83 Q88 V89	R81-K85 WeakPolarHBondContact O-CB 3.41Å; R81-K85 WeakPolarHBondContact O-CG 3.2Å; R81-K85 PolarHBondContact O-N 3.34Å; V82-K85 PolarHBondContact O-N 2.8Å; T83-K85 VanDerWaalsContact C-N 3.34Å; T83-K85 PolarHBondContact O-N 3.23Å; K85-Q88 PolarHBondContact O-N 3.32Å; K85-V89 VanDerWaalsContact O-CG2 3.3Å; K85-V89 WeakPolarHBondContact O-CG2 3.28Å; K85-V89 PolarHBondContact O-N 2.97Å
86	R	49.7	Very low	50.8	Low	180 Å²	180	121 Å²	121	68%	0.679	59%	0.591	S	S	*	*	H	α-helix	trans	-63.1	-42.6	174.9	-107.5	-171.7	174.1	143.7	-0.7	112.1	V82 T83 L84 Q88 V89 N90	V82-R86 PolarHBondContact O-N 2.9Å; T83-R86 CarbonylContact O-C 3.55Å; T83-R86 WeakPolarHBondContact O-CA 3.48Å; T83-R86 WeakPolarHBondContact O-CB 3.44Å; T83-R86 PolarHBondContact O-N 3.23Å; L84-R86 VanDerWaalsContact C-N 3.31Å; L84-R86 PolarHBondContact O-N 3.3Å; R86-Q88 VanDerWaalsContact C-N 3.33Å; R86-Q88 PolarHBondContact O-N 2.78Å; R86-V89 PolarHBondContact O-N 2.77Å; R86-N90 WeakPolarHBondContact O-CB 3.47Å; R86-N90 PolarHBondContact O-N 2.83Å
87	D	50.4	Low	49.4	Very low	82 Å²	82	120.1 Å²	120.1	44%	0.439	59%	0.586	S	S	.	*	H	α-helix	trans	-64.9	-38.4	177.7	-69.5	-18.2	0	0	0	111.7	T83 L84 V89 N90 R91	T83-D87 PolarHBondContact O-N 2.87Å; L84-D87 PolarHBondContact O-N 2.76Å; D87-V89 VanDerWaalsContact C-N 3.35Å; D87-N90 PolarHBondContact O-N 3.49Å; D87-R91 WeakPolarHBondContact O-CG 3.35Å; D87-R91 PolarHBondContact O-N 2.77Å
88	Q	53.2	Low	47.8	Very low	129 Å²	129	120.2 Å²	120.2	60%	0.603	59%	0.59	S	S	*	*	H	α-helix	trans	-63.3	-39.6	173.2	-74.3	179.8	1	0	0	112.3	L84 K85 R86 N90	L84-Q88 WeakPolarHBondContact O-CG 3.42Å; L84-Q88 PolarHBondContact O-N 3.21Å; K85-Q88 PolarHBondContact O-N 3.32Å; R86-Q88 VanDerWaalsContact C-N 3.33Å; R86-Q88 PolarHBondContact O-N 2.78Å; Q88-N90 VanDerWaalsContact C-N 3.34Å
89	V	54.3	Low	46.6	Very low	119 Å²	119	123 Å²	123	72%	0.721	61%	0.606	S	S	*	*	H	α-helix	trans	-68.5	-34.5	175.5	174.6	0	0	0	0	111.4	K85 R86 D87	K85-V89 VanDerWaalsContact O-CG2 3.3Å; K85-V89 WeakPolarHBondContact O-CG2 3.28Å; K85-V89 PolarHBondContact O-N 2.97Å; R86-V89 PolarHBondContact O-N 2.77Å; D87-V89 VanDerWaalsContact C-N 3.35Å
90	N	47.8	Very low	45.8	Very low	119 Å²	119	126 Å²	126	64%	0.636	62%	0.617	S	S	*	*	H	α-helix	trans	-79.7	-19.6	179.2	-75.4	-20.5	0	0	0	113.9	R86 D87 Q88 R92	R86-N90 WeakPolarHBondContact O-CB 3.47Å; R86-N90 PolarHBondContact O-N 2.83Å; D87-N90 PolarHBondContact O-N 3.49Å; Q88-N90 VanDerWaalsContact C-N 3.34Å; N90-R92 PolarHBondContact O-N 3.36Å
91	R	43	Very low	44.7	Very low	148 Å²	148	122.8 Å²	122.8	56%	0.558	61%	0.609	S	S	*	*			trans	-70	81.2	167.4	-75.8	-175.8	-176.1	-174.8	2.7	108.8	D87 K93	D87-R91 WeakPolarHBondContact O-CG 3.35Å; D87-R91 PolarHBondContact O-N 2.77Å; R91-K93 PolarHBondContact O-N 3.25Å; R91-K93 VanDerWaalsContact O-N 3.13Å
92	R	42.2	Very low	43.4	Very low	232 Å²	232	118.5 Å²	118.5	88%	0.875	60%	0.603	S	S	*	*			trans	-45.7	123.7	157.3	-75.9	-176.1	175.5	-180	-1.1	106.4	N90	N90-R92 PolarHBondContact O-N 3.36Å
93	K	40.2	Very low	42.5	Very low	187 Å²	187	121 Å²	121	81%	0.813	61%	0.61	S	S	*	*			trans	-45.8	135.6	173.5	-74.9	176.9	178.5	176	0	107.4	R91 T95	R91-K93 PolarHBondContact O-N 3.25Å; R91-K93 VanDerWaalsContact O-N 3.13Å; K93-T95 PolarHBondContact O-N 3.27Å
94	P	37.3	Very low	41.9	Very low	119 Å²	119	120.3 Å²	120.3	77%	0.773	61%	0.612	S	S	*	*			trans	-52.2	112.5	174	-20.5	29.6	0	0	0	107.7	V96	P94-V96 PolarHBondContact O-N 2.9Å; P94-V96 VanDerWaalsContact O-N 3.07Å
95	T	35.4	Very low	41.2	Very low	114 Å²	114	120.3 Å²	120.3	70%	0.699	61%	0.612	S	S	*	*			trans	-65.3	113.5	170.3	-53.5	0	0	0	0	105	K93 V97	K93-T95 PolarHBondContact O-N 3.27Å; T95-V97 HydrophobicContact CG2-CG2 3.75Å; T95-V97 WeakPolarHBondContact O-CG2 3.48Å; T95-V97 PolarHBondContact O-N 2.89Å
96	V	32.5	Very low	40.7	Very low	134 Å²	134	116.4 Å²	116.4	81%	0.812	60%	0.603	S	S	*	*			trans	-73.6	89.9	171.4	-179.3	0	0	0	0	105.9	P94	P94-V96 PolarHBondContact O-N 2.9Å; P94-V96 VanDerWaalsContact O-N 3.07Å
97	V	29.7	Very low	40.5	Very low	50 Å²	50	114.7 Å²	114.7	30%	0.303	60%	0.6	S	S	.	*			trans	-81.6	124.1	177.2	-173.6	0	0	0	0	106.9	T95 Q101 A102 L105	T95-V97 HydrophobicContact CG2-CG2 3.75Å; T95-V97 WeakPolarHBondContact O-CG2 3.48Å; T95-V97 PolarHBondContact O-N 2.89Å; V97-Q101 VanDerWaalsContact CG1-C 3.47Å; V97-Q101 HydrophobicContact CG1-CB 3.21Å; V97-Q101 HydrophobicContact CG1-CG 4.45Å; V97-A102 HydrophobicContact CG1-CB 4.18Å; V97-A102 VanDerWaalsContact CG1-N 3.35Å; V97-L105 HydrophobicContact CG1-CD1 4.12Å; V97-L105 HydrophobicContact CG2-CD1 4.32Å
98	T	31.6	Very low	40.1	Very low	75 Å²	75	113.1 Å²	113.1	46%	0.46	60%	0.599	S	S	.	*			trans	-64.3	154.7	172	55.7	0	0	0	0	109.7	E100 Q101 A102	T98-E100 PolarHBondContact O-N 3.47Å; T98-E100 VanDerWaalsContact O-N 3.09Å; T98-Q101 WeakPolarHBondContact O-CA 3.31Å; T98-Q101 WeakPolarHBondContact O-CB 3.36Å; T98-Q101 PolarHBondContact O-N 3.23Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.38Å; T98-A102 PolarHBondContact O-N 2.78Å
99	V	38.8	Very low	39.4	Very low	116 Å²	116	111.8 Å²	111.8	70%	0.703	60%	0.596	S	S	*	*	H	α-helix	trans	-51.7	-38.5	-179.3	178.2	0	0	0	0	111.7	Q101 A102 E103	V99-Q101 VanDerWaalsContact C-N 3.34Å; V99-Q101 PolarHBondContact O-N 3.27Å; V99-A102 PolarHBondContact O-N 3.44Å; V99-E103 PolarHBondContact O-N 3.03Å; V99-E103 VanDerWaalsContact O-N 3.12Å
100	E	38.1	Very low	38.7	Very low	163 Å²	163	112.6 Å²	112.6	76%	0.762	59%	0.592	S	S	*	*	H	α-helix	trans	-63.9	-35.3	177	-64.8	173.5	162.7	0	0	113	T98	T98-E100 PolarHBondContact O-N 3.47Å; T98-E100 VanDerWaalsContact O-N 3.09Å
101	Q	33.5	Very low	38.3	Very low	84 Å²	84	112.4 Å²	112.4	39%	0.393	59%	0.587	S	S	.	*	H	α-helix	trans	-78.6	-29.1	175.1	-71.7	176.6	-22.1	0	0	112.2	V97 T98 V99 A104 L105	V97-Q101 VanDerWaalsContact CG1-C 3.47Å; V97-Q101 HydrophobicContact CG1-CB 3.21Å; V97-Q101 HydrophobicContact CG1-CG 4.45Å; T98-Q101 WeakPolarHBondContact O-CA 3.31Å; T98-Q101 WeakPolarHBondContact O-CB 3.36Å; T98-Q101 PolarHBondContact O-N 3.23Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.38Å; V99-Q101 VanDerWaalsContact C-N 3.34Å; V99-Q101 PolarHBondContact O-N 3.27Å; Q101-A104 WeakPolarHBondContact O-CB 3.49Å; Q101-A104 PolarHBondContact O-N 3.17Å; Q101-L105 PolarHBondContact O-N 2.72Å
102	A	34	Very low	38.2	Very low	49 Å²	49	112 Å²	112	41%	0.405	59%	0.592	S	S	.	*	H	α-helix	trans	-67.4	-38.4	176.2	0	0	0	0	0	111.2	V97 T98 V99 A104 L105 S106	V97-A102 HydrophobicContact CG1-CB 4.18Å; V97-A102 VanDerWaalsContact CG1-N 3.35Å; T98-A102 PolarHBondContact O-N 2.78Å; V99-A102 PolarHBondContact O-N 3.44Å; A102-A104 VanDerWaalsContact C-N 3.29Å; A102-A104 PolarHBondContact O-N 2.69Å; A102-L105 PolarHBondContact O-N 2.85Å; A102-S106 PolarHBondContact O-N 3.08Å
103	E	38.7	Very low	38	Very low	127 Å²	127	106.8 Å²	106.8	59%	0.593	58%	0.581	S	S	*	*	H	α-helix	trans	-62.7	-35.1	172	-75.5	-170.7	169.2	0	0	112.5	V99 K107	V99-E103 PolarHBondContact O-N 3.03Å; V99-E103 VanDerWaalsContact O-N 3.12Å; E103-K107 WeakPolarHBondContact O-CG 3.42Å; E103-K107 PolarHBondContact O-N 2.74Å
104	A	40	Very low	37.9	Very low	61 Å²	61	104.8 Å²	104.8	50%	0.504	57%	0.572	S	S	.	*	H	α-helix	trans	-68.9	-42.2	176.6	0	0	0	0	0	112.1	Q101 A102 K107 A108	Q101-A104 WeakPolarHBondContact O-CB 3.49Å; Q101-A104 PolarHBondContact O-N 3.17Å; A102-A104 VanDerWaalsContact C-N 3.29Å; A102-A104 PolarHBondContact O-N 2.69Å; A104-K107 PolarHBondContact O-N 3.26Å; A104-A108 PolarHBondContact O-N 3.31Å
105	L	41.6	Very low	37.8	Very low	94 Å²	94	107.2 Å²	107.2	49%	0.492	57%	0.567	S	S	.	*	H	α-helix	trans	-66.4	-42	176.6	-82.4	161.6	0	0	0	112.1	V97 Q101 A102 K107 A108 D109	V97-L105 HydrophobicContact CG1-CD1 4.12Å; V97-L105 HydrophobicContact CG2-CD1 4.32Å; Q101-L105 PolarHBondContact O-N 2.72Å; A102-L105 PolarHBondContact O-N 2.85Å; L105-K107 PolarHBondContact O-N 3.37Å; L105-A108 WeakPolarHBondContact O-CB 3.42Å; L105-A108 PolarHBondContact O-N 3.46Å; L105-D109 PolarHBondContact O-N 3.28Å
106	S	43.1	Very low	37.8	Very low	63 Å²	63	108.5 Å²	108.5	44%	0.441	57%	0.567	S	S	.	*	H	α-helix	trans	-59.1	-34.6	174.9	169.6	0	0	0	0	112.5	A102 Q110	A102-S106 PolarHBondContact O-N 3.08Å; S106-Q110 WeakPolarHBondContact O-CG 3.47Å; S106-Q110 PolarHBondContact O-N 2.78Å
107	K	44.4	Very low	37.8	Very low	143 Å²	143	109 Å²	109	62%	0.622	56%	0.56	S	S	*	*	H	α-helix	trans	-74.4	-31.6	174	-73.8	-177.5	-177.8	174.9	0	112.7	E103 A104 L105 Q111	E103-K107 WeakPolarHBondContact O-CG 3.42Å; E103-K107 PolarHBondContact O-N 2.74Å; A104-K107 PolarHBondContact O-N 3.26Å; L105-K107 PolarHBondContact O-N 3.37Å; K107-Q111 WeakPolarHBondContact O-CB 3.27Å; K107-Q111 PolarHBondContact O-N 2.84Å
108	A	42.9	Very low	38.1	Very low	49 Å²	49	110.8 Å²	110.8	41%	0.405	57%	0.572	S	S	.	*	H	α-helix	trans	-67.3	-45	175.1	0	0	0	0	0	111.5	A104 L105 Q110 Q111 E112	A104-A108 PolarHBondContact O-N 3.31Å; L105-A108 WeakPolarHBondContact O-CB 3.42Å; L105-A108 PolarHBondContact O-N 3.46Å; A108-Q110 VanDerWaalsContact C-N 3.35Å; A108-Q110 PolarHBondContact O-N 3.14Å; A108-Q111 WeakPolarHBondContact O-CA 3.29Å; A108-Q111 WeakPolarHBondContact O-CB 3.33Å; A108-Q111 PolarHBondContact O-N 2.78Å; A108-E112 PolarHBondContact O-N 2.85Å
109	D	38.6	Very low	38.1	Very low	102 Å²	102	109.9 Å²	109.9	55%	0.545	57%	0.572	S	S	.	*	H	α-helix	trans	-63.6	-40.5	177.1	-72.5	-12	0	0	0	111.5	L105 Q111 E112 D113	L105-D109 PolarHBondContact O-N 3.28Å; D109-Q111 PolarHBondContact O-N 2.89Å; D109-E112 PolarHBondContact O-N 3.43Å; D109-D113 PolarHBondContact O-N 2.85Å
110	Q	40.4	Very low	37.8	Very low	135 Å²	135	109.8 Å²	109.8	63%	0.631	57%	0.572	S	S	*	*	H	α-helix	trans	-66.9	-24.6	173.4	-75.8	-176.1	8.6	0	0	113.4	S106 A108 K114	S106-Q110 WeakPolarHBondContact O-CG 3.47Å; S106-Q110 PolarHBondContact O-N 2.78Å; A108-Q110 VanDerWaalsContact C-N 3.35Å; A108-Q110 PolarHBondContact O-N 3.14Å; Q110-K114 PolarHBondContact O-N 2.96Å
111	Q	38.3	Very low	37.7	Very low	116 Å²	116	108.8 Å²	108.8	54%	0.542	57%	0.57	S	S	.	*	H	α-helix	trans	-80.3	-34.4	176.1	-161.7	162.7	0.3	0	0	111	K107 A108 D109 K114 Y115	K107-Q111 WeakPolarHBondContact O-CB 3.27Å; K107-Q111 PolarHBondContact O-N 2.84Å; A108-Q111 WeakPolarHBondContact O-CA 3.29Å; A108-Q111 WeakPolarHBondContact O-CB 3.33Å; A108-Q111 PolarHBondContact O-N 2.78Å; D109-Q111 PolarHBondContact O-N 2.89Å; Q111-K114 PolarHBondContact O-N 2.78Å; Q111-Y115 HydrophobicContact CG-CD2 4.15Å; Q111-Y115 HydrophobicContact CG-CE2 3.98Å; Q111-Y115 VanDerWaalsContact O-CD2 3.3Å; Q111-Y115 WeakPolarHBondContact O-CD2 3.35Å; Q111-Y115 PolarHBondContact O-N 2.96Å; Q111-Y115 VanDerWaalsContact O-N 3.08Å
112	E	41.4	Very low	37.5	Very low	140 Å²	140	108.4 Å²	108.4	65%	0.654	58%	0.576	S	S	*	*	H	α-helix	trans	-66.4	-40.8	176.4	-151.2	172.7	-159.5	0	0	111.9	A108 D109 K114 Y115 M116	A108-E112 PolarHBondContact O-N 2.85Å; D109-E112 PolarHBondContact O-N 3.43Å; E112-K114 VanDerWaalsContact C-N 3.31Å; E112-K114 PolarHBondContact O-N 2.8Å; E112-Y115 PolarHBondContact O-N 3.36Å; E112-Y115 VanDerWaalsContact O-N 3.14Å; E112-M116 PolarHBondContact O-N 3.22Å
113	D	37.5	Very low	37.3	Very low	122 Å²	122	113.1 Å²	113.1	65%	0.652	60%	0.595	S	S	*	*	H	α-helix	trans	-62.6	-36.8	173.8	-85.9	-21.2	0	0	0	112.4	D109 Y115 M116 E117	D109-D113 PolarHBondContact O-N 2.85Å; D113-Y115 PolarHBondContact O-N 2.98Å; D113-M116 PolarHBondContact O-N 2.9Å; D113-E117 PolarHBondContact O-N 3.48Å
114	K	37.4	Very low	36.9	Very low	145 Å²	145	115 Å²	115	63%	0.63	61%	0.605	S	S	*	*	H	α-helix	trans	-68.8	-32.6	174.9	-107.8	-177.2	-179.9	178.7	0	113	Q110 Q111 E112 T118	Q110-K114 PolarHBondContact O-N 2.96Å; Q111-K114 PolarHBondContact O-N 2.78Å; E112-K114 VanDerWaalsContact C-N 3.31Å; E112-K114 PolarHBondContact O-N 2.8Å; K114-T118 WeakPolarHBondContact O-CB 3.35Å; K114-T118 PolarHBondContact O-N 3.48Å; K114-T118 PolarHBondContact O-OG1 3.48Å
115	Y	36.3	Very low	36.3	Very low	169 Å²	169	117.1 Å²	117.1	66%	0.663	62%	0.617	S	S	*	*	H	α-helix	trans	-71.6	-36.4	175.8	-89	-79.2	0	0	0	112	Q111 E112 D113 A119	Q111-Y115 HydrophobicContact CG-CD2 4.15Å; Q111-Y115 HydrophobicContact CG-CE2 3.98Å; Q111-Y115 VanDerWaalsContact O-CD2 3.3Å; Q111-Y115 WeakPolarHBondContact O-CD2 3.35Å; Q111-Y115 PolarHBondContact O-N 2.96Å; Q111-Y115 VanDerWaalsContact O-N 3.08Å; E112-Y115 PolarHBondContact O-N 3.36Å; E112-Y115 VanDerWaalsContact O-N 3.14Å; D113-Y115 PolarHBondContact O-N 2.98Å; Y115-A119 VanDerWaalsContact O-CB 3.31Å; Y115-A119 WeakPolarHBondContact O-CB 3.22Å; Y115-A119 PolarHBondContact O-N 2.83Å
116	M	35.1	Very low	35.6	Very low	142 Å²	142	117.4 Å²	117.4	70%	0.7	63%	0.627	S	S	*	*	H	α-helix	trans	-64.1	-43.8	171.6	-85.4	-86.6	-178.4	0	0	111.6	E112 D113 T118 A119	E112-M116 PolarHBondContact O-N 3.22Å; D113-M116 PolarHBondContact O-N 2.9Å; M116-T118 PolarHBondContact O-N 3.48Å; M116-A119 PolarHBondContact O-N 3.12Å
117	E	33	Very low	35	Very low	143 Å²	143	120.7 Å²	120.7	67%	0.668	65%	0.647	S	S	*	*	H	α-helix	trans	-71.2	-33.6	-178.7	-149.4	174.2	-159.8	0	0	112.5	D113	D113-E117 PolarHBondContact O-N 3.48Å
118	T	34.8	Very low	34.4	Very low	89 Å²	89	121.6 Å²	121.6	55%	0.546	66%	0.657	S	S	.	*	H	α-helix	trans	-77.9	-27.1	178.1	-37	0	0	0	0	112.9	K114 M116 V120 I121 S122	K114-T118 WeakPolarHBondContact O-CB 3.35Å; K114-T118 PolarHBondContact O-N 3.48Å; K114-T118 PolarHBondContact O-OG1 3.48Å; M116-T118 PolarHBondContact O-N 3.48Å; T118-V120 VanDerWaalsContact C-N 3.26Å; T118-V120 PolarHBondContact O-N 2.94Å; T118-I121 PolarHBondContact O-N 2.95Å; T118-S122 PolarHBondContact O-N 3.13Å; T118-S122 PolarHBondContact O-OG 3.33Å
119	A	31.5	Very low	33.7	Very low	56 Å²	56	124.5 Å²	124.5	46%	0.463	68%	0.675	S	S	.	*	H	α-helix	trans	-67.8	-25.6	174.7	0	0	0	0	0	112.9	Y115 M116	Y115-A119 VanDerWaalsContact O-CB 3.31Å; Y115-A119 WeakPolarHBondContact O-CB 3.22Å; Y115-A119 PolarHBondContact O-N 2.83Å; M116-A119 PolarHBondContact O-N 3.12Å
120	V	32.6	Very low	33.2	Very low	114 Å²	114	126.3 Å²	126.3	69%	0.691	69%	0.689	S	S	*	*	H	α-helix	trans	-78.6	-29	179.4	-179.8	0	0	0	0	112.4	T118	T118-V120 VanDerWaalsContact C-N 3.26Å; T118-V120 PolarHBondContact O-N 2.94Å
121	I	35.8	Very low	32.7	Very low	142 Å²	142	124.9 Å²	124.9	73%	0.728	69%	0.691	S	S	*	*	H	α-helix	trans	-90.1	-19.3	-176.1	-56	178.6	0	0	0	112.7	T118	T118-I121 PolarHBondContact O-N 2.95Å
122	S	29.8	Very low	32.2	Very low	75 Å²	75	125 Å²	125	52%	0.524	70%	0.702	S	S	.	*			trans	-92.1	7.3	-173.8	47.8	0	0	0	0	115.7	T118 M124	T118-S122 PolarHBondContact O-N 3.13Å; T118-S122 PolarHBondContact O-OG 3.33Å; S122-M124 PolarHBondContact O-N 2.95Å
123	N	30.7	Very low	31.6	Very low	148 Å²	148	125.9 Å²	125.9	79%	0.791	71%	0.71	S	S	*	*			trans	-67.8	6.7	172.1	-82.4	-20.5	0	0	0	114.7
124	M	29.1	Very low	31.1	Very low	166 Å²	166	130.5 Å²	130.5	82%	0.818	72%	0.72	S	S	*	*	S	Bend	trans	-101.5	104.5	162.9	-78.8	-158.5	162.8	0	0	110.7	S122	S122-M124 PolarHBondContact O-N 2.95Å
125	S	28.5	Very low	30.5	Very low	107 Å²	107	132 Å²	132	75%	0.748	73%	0.729	S	S	*	*	S	Bend	trans	94.2	105.1	153.4	-27	0	0	0	0	117.8
126	S	26.8	Very low	30.1	Very low	100 Å²	100	128.4 Å²	128.4	70%	0.699	73%	0.728	S	S	*	*			trans	82.1	130.8	145.6	-57.9	0	0	0	0	119.4	L128	S126-L128 PolarHBondContact O-N 3.25Å
127	P	30.9	Very low	29.6	Very low	132 Å²	132	126.8 Å²	126.8	86%	0.857	73%	0.731	S	S	*	*			trans	-82.7	112.4	-175.2	33.4	-30.6	0	0	0	110
128	L	30.3	Very low	29.3	Very low	161 Å²	161	125.4 Å²	125.4	84%	0.843	73%	0.733	S	S	*	*			trans	-133.2	113.9	170.6	-97.8	128.3	0	0	0	110.3	S126	S126-L128 PolarHBondContact O-N 3.25Å
129	S	28.4	Very low	29	Very low	111 Å²	111	125.1 Å²	125.1	78%	0.776	74%	0.74	S	S	*	*			trans	32.6	104.8	158.5	-75.1	0	0	0	0	118.7	P131	S129-P131 WeakPolarHBondContact O-CD 3.35Å
130	V	28.6	Very low	28.8	Very low	139 Å²	139	128.9 Å²	128.9	84%	0.842	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-51.5	119.2	157.7	-176.9	0	0	0	0	109.4
131	P	29.5	Very low	28.4	Very low	105 Å²	105	131.1 Å²	131.1	68%	0.682	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-67.3	141.6	172.7	-14.8	28.6	0	0	0	110.4	S129 I133	S129-P131 WeakPolarHBondContact O-CD 3.35Å; P131-I133 PolarHBondContact O-N 2.97Å
132	P	29.3	Very low	28	Very low	119 Å²	119	130.1 Å²	130.1	77%	0.773	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-66.8	129.7	-179.1	25.9	-31	0	0	0	111	Y134	P132-Y134 PolarHBondContact O-N 3.05Å; P132-Y134 VanDerWaalsContact O-N 3.11Å
133	I	28	Very low	27.8	Very low	159 Å²	159	130.6 Å²	130.6	82%	0.815	77%	0.769	S	S	*	*			trans	-49.1	110.1	174.1	-63.3	159.4	0	0	0	108.6	P131 E135	P131-I133 PolarHBondContact O-N 2.97Å; I133-E135 PolarHBondContact O-N 2.84Å
134	Y	26.1	Very low	27.4	Very low	219 Å²	219	132.1 Å²	132.1	86%	0.859	77%	0.771	S	S	*	*			trans	-71.9	110.3	175.6	-127	-100.9	0	0	0	108.1	P132 S136	P132-Y134 PolarHBondContact O-N 3.05Å; P132-Y134 VanDerWaalsContact O-N 3.11Å; Y134-S136 PolarHBondContact O-N 3.39Å
135	E	26.2	Very low	27.3	Very low	177 Å²	177	130.4 Å²	130.4	83%	0.827	77%	0.769	S	S	*	*			trans	-62.4	91.5	169.4	-68.6	-179.8	159.9	0	0	109.4	I133	I133-E135 PolarHBondContact O-N 2.84Å
136	S	27.3	Very low	27.1	Very low	92 Å²	92	133.7 Å²	133.7	64%	0.643	77%	0.773	S	S	*	*			trans	-106.3	73.7	161.3	-162.5	0	0	0	0	108.5	Y134 T138	Y134-S136 PolarHBondContact O-N 3.39Å; S136-T138 PolarHBondContact O-N 3.47Å
137	S	24.7	Very low	27	Very low	109 Å²	109	136.9 Å²	136.9	76%	0.762	78%	0.782	S	S	*	*			trans	-69.4	71.3	165.4	37.7	0	0	0	0	109.1	A139	S137-A139 PolarHBondContact O-N 2.91Å
138	T	27.3	Very low	26.8	Very low	113 Å²	113	135.4 Å²	135.4	69%	0.693	78%	0.775	S	S	*	*			trans	-70.9	93	160	35	0	0	0	0	106.6	S136 L140	S136-T138 PolarHBondContact O-N 3.47Å; T138-L140 VanDerWaalsContact C-N 3.28Å; T138-L140 PolarHBondContact O-N 3.29Å
139	A	28.1	Very low	26.4	Very low	84 Å²	84	132.9 Å²	132.9	69%	0.694	77%	0.769	S	S	*	*			trans	-54.6	94.9	170.5	0	0	0	0	0	108.3	S137 N141	S137-A139 PolarHBondContact O-N 2.91Å; A139-N141 PolarHBondContact O-N 3.47Å
140	L	26.4	Very low	26.2	Very low	135 Å²	135	134.1 Å²	134.1	71%	0.707	77%	0.767	S	S	*	*			trans	-60.3	104.8	166.3	-84.9	157.3	0	0	0	106	T138 T142	T138-L140 VanDerWaalsContact C-N 3.28Å; T138-L140 PolarHBondContact O-N 3.29Å; L140-T142 PolarHBondContact O-N 3.01Å
141	N	25.3	Very low	26.1	Very low	160 Å²	160	135.2 Å²	135.2	86%	0.856	77%	0.768	S	S	*	*			trans	-58.7	87.8	170.2	-78	-32.2	0	0	0	108.4	A139 A143	A139-N141 PolarHBondContact O-N 3.47Å; N141-A143 VanDerWaalsContact C-N 3.33Å; N141-A143 PolarHBondContact O-N 2.96Å
142	T	26.7	Very low	25.8	Very low	121 Å²	121	138.6 Å²	138.6	74%	0.742	77%	0.772	S	S	*	*			trans	-64.8	99.2	160.5	24.7	0	0	0	0	106.5	L140 E144	L140-T142 PolarHBondContact O-N 3.01Å; T142-E144 VanDerWaalsContact C-N 3.32Å; T142-E144 PolarHBondContact O-N 2.91Å
143	A	24.8	Very low	25.6	Very low	86 Å²	86	138.8 Å²	138.8	71%	0.711	77%	0.771	S	S	*	*			trans	-60.8	100.7	165.7	0	0	0	0	0	107.4	N141 V145	N141-A143 VanDerWaalsContact C-N 3.33Å; N141-A143 PolarHBondContact O-N 2.96Å; A143-V145 VanDerWaalsContact C-N 3.26Å; A143-V145 PolarHBondContact O-N 2.95Å
144	E	23.7	Very low	25.5	Very low	179 Å²	179	137.5 Å²	137.5	84%	0.836	76%	0.764	S	S	*	*			trans	-64.9	89.7	167.5	-66.9	-176.5	162.3	0	0	107.1	T142 E146	T142-E144 VanDerWaalsContact C-N 3.32Å; T142-E144 PolarHBondContact O-N 2.91Å; E144-E146 PolarHBondContact O-N 3.4Å; E144-E146 VanDerWaalsContact O-N 3.08Å
145	V	26	Very low	25.4	Very low	130 Å²	130	131 Å²	131	79%	0.788	75%	0.751	S	S	*	*			trans	-71	105.5	170.7	-179.8	0	0	0	0	106.3	A143 D147	A143-V145 VanDerWaalsContact C-N 3.26Å; A143-V145 PolarHBondContact O-N 2.95Å; V145-D147 PolarHBondContact O-N 2.75Å
146	E	24.5	Very low	25.3	Very low	177 Å²	177	129.7 Å²	129.7	83%	0.827	75%	0.749	S	S	*	*			trans	-44.4	122.9	-179	-66.8	-179.4	149.2	0	0	112.3	E144 S148	E144-E146 PolarHBondContact O-N 3.4Å; E144-E146 VanDerWaalsContact O-N 3.08Å; E146-S148 PolarHBondContact O-N 3.36Å
147	D	25.7	Very low	25.1	Very low	167 Å²	167	133 Å²	133	89%	0.893	75%	0.752	S	S	*	*			trans	-62.2	74.4	174.2	-80.7	-40	0	0	0	111.2	V145 C149	V145-D147 PolarHBondContact O-N 2.75Å; D147-C149 PolarHBondContact O-N 3Å
148	S	25.9	Very low	25	Very low	101 Å²	101	134.2 Å²	134.2	71%	0.706	75%	0.751	S	S	*	*			trans	-77.3	85.6	163.1	53.2	0	0	0	0	108.6	E146 N150	E146-S148 PolarHBondContact O-N 3.36Å; S148-N150 PolarHBondContact O-N 2.75Å
149	C	22.4	Very low	24.9	Very low	107 Å²	107	138.9 Å²	138.9	72%	0.723	76%	0.757	S	S	*	*			trans	-61.8	67.6	176.9	-155.2	0	0	0	0	111.3	D147 L151	D147-C149 PolarHBondContact O-N 3Å; C149-L151 PolarHBondContact O-N 2.86Å
150	N	23.8	Very low	24.6	Very low	137 Å²	137	138.5 Å²	138.5	73%	0.733	75%	0.749	S	S	*	*			trans	-88.5	95.6	166.4	-86.5	-37.8	0	0	0	107.6	S148 K152	S148-N150 PolarHBondContact O-N 2.75Å; N150-K152 PolarHBondContact O-N 2.69Å
151	L	26.2	Very low	24.5	Very low	162 Å²	162	140.5 Å²	140.5	85%	0.848	76%	0.755	S	S	*	*			trans	-55.6	43.4	167.6	-97.1	130.2	0	0	0	113.6	C149 T153	C149-L151 PolarHBondContact O-N 2.86Å; L151-T153 PolarHBondContact O-N 2.86Å; L151-T153 VanDerWaalsContact O-N 3.1Å
152	K	23.7	Very low	24.4	Very low	177 Å²	177	137 Å²	137	77%	0.77	74%	0.736	S	S	*	*			trans	-79.4	94.5	166.6	-88.5	-178	175.2	177.7	0	107.3	N150 I154	N150-K152 PolarHBondContact O-N 2.69Å; K152-I154 PolarHBondContact O-N 2.76Å; K152-I154 VanDerWaalsContact O-N 3.12Å
153	T	26	Very low	24.2	Very low	122 Å²	122	138.9 Å²	138.9	75%	0.748	74%	0.741	S	S	*	*			trans	33.1	78.5	137.3	-36.1	0	0	0	0	112.1	L151 S155	L151-T153 PolarHBondContact O-N 2.86Å; L151-T153 VanDerWaalsContact O-N 3.1Å; T153-S155 PolarHBondContact O-N 2.94Å
154	I	24.6	Very low	24.1	Very low	132 Å²	132	139.7 Å²	139.7	68%	0.677	74%	0.742	S	S	*	*			trans	-69.8	76.2	162.2	-58	175.2	0	0	0	104.9	K152 D156 F157	K152-I154 PolarHBondContact O-N 2.76Å; K152-I154 VanDerWaalsContact O-N 3.12Å; I154-D156 PolarHBondContact O-N 2.87Å; I154-F157 HydrophobicContact CG2-CD2 3.3Å; I154-F157 HydrophobicContact CG2-CE2 3.45Å; I154-F157 VanDerWaalsContact CG2-CE2 3.45Å; I154-F157 HydrophobicContact CG2-CG 4.48Å
155	S	23.7	Very low	24	Very low	84 Å²	84	136.9 Å²	136.9	59%	0.587	73%	0.731	S	S	*	*			trans	-55.4	123	162.9	49.5	0	0	0	0	106.5	T153 F157	T153-S155 PolarHBondContact O-N 2.94Å; S155-F157 PolarHBondContact O-N 2.95Å
156	D	23.8	Very low	23.7	Very low	148 Å²	148	134.2 Å²	134.2	79%	0.791	73%	0.73	S	S	*	*			trans	39.4	80.4	157.7	-54.3	-30.1	0	0	0	113	I154 N158	I154-D156 PolarHBondContact O-N 2.87Å; D156-N158 PolarHBondContact O-N 3.08Å
157	F	24.3	Very low	23.5	Very low	161 Å²	161	132.6 Å²	132.6	71%	0.706	73%	0.725	S	S	*	*			trans	-51.3	103	156.5	-107.5	-84.8	0	0	0	106.4	I154 S155 Y159	I154-F157 HydrophobicContact CG2-CD2 3.3Å; I154-F157 HydrophobicContact CG2-CE2 3.45Å; I154-F157 VanDerWaalsContact CG2-CE2 3.45Å; I154-F157 HydrophobicContact CG2-CG 4.48Å; S155-F157 PolarHBondContact O-N 2.95Å; F157-Y159 VanDerWaalsContact O-CD2 3.22Å; F157-Y159 WeakPolarHBondContact O-CD2 3.36Å; F157-Y159 PolarHBondContact O-N 2.92Å
158	N	22.5	Very low	23.3	Very low	136 Å²	136	133.2 Å²	133.2	73%	0.727	72%	0.723	S	S	*	*			trans	-52	107.9	173	-108.9	-36.8	0	0	0	106.8	D156 S160	D156-N158 PolarHBondContact O-N 3.08Å; N158-S160 PolarHBondContact O-N 3.27Å; N158-S160 PolarHBondContact OD1-OG 3.28Å
159	Y	24.7	Very low	23.2	Very low	210 Å²	210	131.7 Å²	131.7	82%	0.824	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	12.6	178.2	-78.4	-87.4	0	0	0	113.1	F157	F157-Y159 VanDerWaalsContact O-CD2 3.22Å; F157-Y159 WeakPolarHBondContact O-CD2 3.36Å; F157-Y159 PolarHBondContact O-N 2.92Å
160	S	22.7	Very low	23.2	Very low	76 Å²	76	132.1 Å²	132.1	53%	0.531	72%	0.715	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91	-9.7	-164.5	-0.4	0	0	0	0	115.5	N158	N158-S160 PolarHBondContact O-N 3.27Å; N158-S160 PolarHBondContact OD1-OG 3.28Å
161	E	22.7	Very low	23.3	Very low	177 Å²	177	134.6 Å²	134.6	83%	0.827	72%	0.723	S	S	*	*	S	Bend	trans	-115.7	5.9	-167.8	-94.8	-177.3	178.3	0	0	117.5	N163	E161-N163 PolarHBondContact O-N 2.89Å
162	I	23.2	Very low	23.1	Very low	88 Å²	88	135 Å²	135	45%	0.451	72%	0.718	S	S	.	*			trans	-83.9	11.3	175	-36.9	174.6	0	0	0	111.9	S164 I165	I162-S164 PolarHBondContact O-N 3.19Å; I162-S164 VanDerWaalsContact O-N 3.08Å; I162-I165 HydrophobicContact CG2-CD1 4.48Å
163	N	24	Very low	23.1	Very low	159 Å²	159	132 Å²	132	85%	0.85	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	12.9	-177.3	-90.3	3.1	0	0	0	116	E161	E161-N163 PolarHBondContact O-N 2.89Å
164	S	22.3	Very low	23	Very low	104 Å²	104	131 Å²	131	73%	0.727	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.8	2.8	-173.9	53.9	0	0	0	0	116.6	I162 G166	I162-S164 PolarHBondContact O-N 3.19Å; I162-S164 VanDerWaalsContact O-N 3.08Å; S164-G166 VanDerWaalsContact C-N 3.25Å; S164-G166 PolarHBondContact O-N 3.47Å
165	I	22.2	Very low	23	Very low	119 Å²	119	131 Å²	131	61%	0.61	72%	0.719	S	S	*	*			trans	-80.5	88.4	166.4	-47.6	175.1	0	0	0	106.3	I162 I167	I162-I165 HydrophobicContact CG2-CD1 4.48Å; I165-I167 HydrophobicContact CG2-CG1 4.07Å; I165-I167 PolarHBondContact O-N 3.06Å
166	G	19.8	Very low	22.9	Very low	74 Å²	74	134.5 Å²	134.5	76%	0.763	72%	0.724	S	S	*	*			trans	-59.3	85.2	166.8	0	0	0	0	0	108.7	S164 Q168	S164-G166 VanDerWaalsContact C-N 3.25Å; S164-G166 PolarHBondContact O-N 3.47Å; G166-Q168 PolarHBondContact O-N 3.4Å
167	I	20.3	Very low	22.8	Very low	143 Å²	143	132.5 Å²	132.5	73%	0.733	72%	0.722	S	S	*	*			trans	-71.2	94.6	166.5	-56.7	175.3	0	0	0	103.9	I165 A169	I165-I167 HydrophobicContact CG2-CG1 4.07Å; I165-I167 PolarHBondContact O-N 3.06Å; I167-A169 PolarHBondContact O-N 3.12Å
168	Q	21.3	Very low	22.8	Very low	181 Å²	181	132.6 Å²	132.6	85%	0.846	72%	0.718	S	S	*	*			trans	-53.2	101.3	155.5	-94.1	177.5	-10.3	0	0	105.2	G166 V170	G166-Q168 PolarHBondContact O-N 3.4Å; Q168-V170 VanDerWaalsContact C-N 3.29Å; Q168-V170 PolarHBondContact O-N 2.8Å
169	A	23.9	Very low	22.8	Very low	69 Å²	69	133.3 Å²	133.3	57%	0.57	72%	0.722	S	S	*	*			trans	-58.8	102.7	168.8	0	0	0	0	0	105.6	I167 E171	I167-A169 PolarHBondContact O-N 3.12Å; A169-E171 PolarHBondContact O-N 3.1Å
170	V	22.7	Very low	22.7	Very low	115 Å²	115	131.7 Å²	131.7	70%	0.697	72%	0.722	S	S	*	*			trans	-61.4	109.3	167.3	-176.7	0	0	0	0	104	Q168 K172	Q168-V170 VanDerWaalsContact C-N 3.29Å; Q168-V170 PolarHBondContact O-N 2.8Å; V170-K172 HydrophobicContact CG1-CD 4.49Å; V170-K172 HydrophobicContact CG1-CG 4.27Å; V170-K172 PolarHBondContact O-N 3.13Å
171	E	23.9	Very low	22.7	Very low	190 Å²	190	133.3 Å²	133.3	89%	0.888	73%	0.729	S	S	*	*			trans	-63.4	55.1	178.4	-67.2	-178.8	150	0	0	111.6	A169 P173	A169-E171 PolarHBondContact O-N 3.1Å; E171-P173 WeakPolarHBondContact O-CD 3.46Å
172	K	22.7	Very low	22.6	Very low	171 Å²	171	131.3 Å²	131.3	74%	0.743	72%	0.722	S	S	*	*			trans	-94.6	99.9	165	-82	-176.4	177.9	177.4	0	106.5	V170 C174	V170-K172 HydrophobicContact CG1-CD 4.49Å; V170-K172 HydrophobicContact CG1-CG 4.27Å; V170-K172 PolarHBondContact O-N 3.13Å; K172-C174 PolarHBondContact O-N 2.72Å
173	P	24.7	Very low	22.6	Very low	114 Å²	114	131.2 Å²	131.2	74%	0.74	73%	0.728	S	S	*	*			trans	-54.3	107	166.6	20.7	-30.7	0	0	0	107.7	E171 T175	E171-P173 WeakPolarHBondContact O-CD 3.46Å; P173-T175 VanDerWaalsContact C-N 3.27Å; P173-T175 PolarHBondContact O-N 2.88Å
174	C	23.8	Very low	22.5	Very low	99 Å²	99	130.5 Å²	130.5	67%	0.669	72%	0.724	S	S	*	*			trans	-70.1	93.6	166.8	-88.3	0	0	0	0	106.7	K172 F176	K172-C174 PolarHBondContact O-N 2.72Å; C174-F176 HydrophobicContact CB-CD2 4.36Å; C174-F176 HydrophobicContact CB-CE2 3.8Å; C174-F176 HydrophobicContact CB-CZ 4.12Å; C174-F176 WeakPolarHBondContact O-CD2 3.48Å; C174-F176 PolarHBondContact O-N 3.38Å; C174-F176 VanDerWaalsContact O-N 3.13Å
175	T	23.1	Very low	22.7	Very low	132 Å²	132	130 Å²	130	81%	0.81	72%	0.717	S	S	*	*			trans	-67.3	103.2	162.9	41.1	0	0	0	0	107.9	P173	P173-T175 VanDerWaalsContact C-N 3.27Å; P173-T175 PolarHBondContact O-N 2.88Å
176	F	23.1	Very low	22.8	Very low	159 Å²	159	132.5 Å²	132.5	70%	0.697	73%	0.726	S	S	*	*			trans	-77.4	130.1	165.1	-64.8	-84.7	0	0	0	108.2	C174 Y178	C174-F176 HydrophobicContact CB-CD2 4.36Å; C174-F176 HydrophobicContact CB-CE2 3.8Å; C174-F176 HydrophobicContact CB-CZ 4.12Å; C174-F176 WeakPolarHBondContact O-CD2 3.48Å; C174-F176 PolarHBondContact O-N 3.38Å; C174-F176 VanDerWaalsContact O-N 3.13Å; F176-Y178 VanDerWaalsContact O-CD2 3.29Å; F176-Y178 WeakPolarHBondContact O-CD2 3.37Å; F176-Y178 PolarHBondContact O-N 3.07Å
177	S	22.1	Very low	23	Very low	106 Å²	106	135.3 Å²	135.3	74%	0.741	72%	0.718	S	S	*	*			trans	-71.9	115.1	167.8	56.7	0	0	0	0	108.4	D179	S177-D179 PolarHBondContact O-N 2.74Å
178	Y	23.8	Very low	23.3	Very low	162 Å²	162	134.2 Å²	134.2	64%	0.635	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	35.1	-172.4	-79.7	-91.4	0	0	0	114.8	F176 L238	F176-Y178 VanDerWaalsContact O-CD2 3.29Å; F176-Y178 WeakPolarHBondContact O-CD2 3.37Å; F176-Y178 PolarHBondContact O-N 3.07Å; Y178-L238 PolarHBondContact OH-O 3.43Å; Y178-L238 VanDerWaalsContact OH-O 3.08Å
179	D	22.6	Very low	23.3	Very low	152 Å²	152	127.6 Å²	127.6	81%	0.813	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-11.8	-177.1	-73.5	-20.3	0	0	0	114.1	S177	S177-D179 PolarHBondContact O-N 2.74Å
180	E	21.3	Very low	23.2	Very low	175 Å²	175	135.4 Å²	135.4	82%	0.818	71%	0.707	S	S	*	*	S	Bend	trans	-133.3	8.8	-170.9	-107.2	-176.3	179.8	0	0	117.1	I182	E180-I182 PolarHBondContact O-N 2.78Å
181	V	22.3	Very low	23.3	Very low	111 Å²	111	137.4 Å²	137.4	67%	0.673	71%	0.712	S	S	*	*			trans	-84.3	73.6	165.7	-168.9	0	0	0	0	108.1	C183	V181-C183 HydrophobicContact CG1-CB 4.17Å; V181-C183 WeakPolarHBondContact CG1-SG 3.37Å; V181-C183 PolarHBondContact O-N 2.98Å
182	I	21	Very low	23.2	Very low	135 Å²	135	133 Å²	133	69%	0.692	70%	0.703	S	S	*	*			trans	-64.5	77.8	160.1	-56.2	172.2	0	0	0	105.8	E180 D184	E180-I182 PolarHBondContact O-N 2.78Å; I182-D184 PolarHBondContact O-N 2.91Å
183	C	23	Very low	23.2	Very low	85 Å²	85	132.2 Å²	132.2	57%	0.574	71%	0.706	S	S	*	*			trans	-83.4	99.6	164.9	-91.7	0	0	0	0	105.9	V181 T185	V181-C183 HydrophobicContact CG1-CB 4.17Å; V181-C183 WeakPolarHBondContact CG1-SG 3.37Å; V181-C183 PolarHBondContact O-N 2.98Å; C183-T185 PolarHBondContact O-N 3.08Å
184	D	23.2	Very low	23.1	Very low	144 Å²	144	132 Å²	132	77%	0.77	71%	0.706	S	S	*	*			trans	-60.8	23.5	169.1	-81.5	-31.6	0	0	0	113.8	I182 H186	I182-D184 PolarHBondContact O-N 2.91Å; D184-H186 PolarHBondContact O-N 3.32Å
185	T	25.3	Very low	23	Very low	95 Å²	95	138.2 Å²	138.2	58%	0.583	72%	0.715	S	S	*	*			trans	-102.3	89.9	-177.5	30.7	0	0	0	0	109.6	C183 F187	C183-T185 PolarHBondContact O-N 3.08Å; T185-F187 PolarHBondContact O-N 3.48Å
186	H	25.6	Very low	23.1	Very low	171 Å²	171	138.4 Å²	138.4	79%	0.792	71%	0.711	S	S	*	*			trans	-58.6	108.2	162.8	-73.4	82	0	0	0	108.6	D184 I188	D184-H186 PolarHBondContact O-N 3.32Å; H186-I188 PolarHBondContact O-N 2.99Å
187	F	23.7	Very low	23.3	Very low	133 Å²	133	139.9 Å²	139.9	58%	0.583	72%	0.72	S	S	*	*			trans	-75.4	103.6	177.2	-162	-94.8	0	0	0	109.2	T185 G189 L236	T185-F187 PolarHBondContact O-N 3.48Å; F187-G189 PolarHBondContact O-N 3.5Å; F187-L236 HydrophobicContact CB-CD1 4.48Å; F187-L236 HydrophobicContact CD1-CD1 3.98Å; F187-L236 HydrophobicContact CG-CD1 4.45Å
188	I	26.2	Very low	23.3	Very low	120 Å²	120	142.5 Å²	142.5	62%	0.615	73%	0.725	S	S	*	*			trans	-90.5	93.7	170.8	-55	175.9	0	0	0	106.7	H186	H186-I188 PolarHBondContact O-N 2.99Å
189	G	21.9	Very low	23.3	Very low	41 Å²	41	139.7 Å²	139.7	42%	0.423	73%	0.727	S	S	.	*			trans	-54.6	139.4	176.7	0	0	0	0	0	111.5	F187 L191	F187-G189 PolarHBondContact O-N 3.5Å; G189-L191 PolarHBondContact O-N 3.01Å
190	R	22.1	Very low	23.5	Very low	234 Å²	234	141.2 Å²	141.2	88%	0.883	73%	0.729	S	S	*	*			trans	-68.1	98.2	170.5	-155.7	178.7	-169.1	174.3	6.1	107.7	S192	R190-S192 VanDerWaalsContact C-N 3.27Å; R190-S192 PolarHBondContact O-N 3.41Å
191	L	23.2	Very low	23.7	Very low	156 Å²	156	141 Å²	141	82%	0.817	73%	0.733	S	S	*	*			trans	-61.3	95	166.5	-88	153.6	0	0	0	107.2	G189 L193	G189-L191 PolarHBondContact O-N 3.01Å; L191-L193 PolarHBondContact O-N 3.47Å
192	S	22	Very low	23.7	Very low	99 Å²	99	146.8 Å²	146.8	69%	0.692	74%	0.742	S	S	*	*			trans	-67.6	90.3	159.7	-54.7	0	0	0	0	104.7	R190 C194	R190-S192 VanDerWaalsContact C-N 3.27Å; R190-S192 PolarHBondContact O-N 3.41Å; S192-C194 VanDerWaalsContact C-N 3.28Å; S192-C194 PolarHBondContact O-N 3.04Å
193	L	23.3	Very low	23.9	Very low	154 Å²	154	148.4 Å²	148.4	81%	0.806	75%	0.747	S	S	*	*			trans	-50.9	103.9	165	-88.4	141.7	0	0	0	105.5	L191 R195	L191-L193 PolarHBondContact O-N 3.47Å; L193-R195 PolarHBondContact O-N 3.48Å
194	C	21.7	Very low	24	Very low	108 Å²	108	151.9 Å²	151.9	73%	0.73	76%	0.755	S	S	*	*			trans	-57.2	95.9	162.3	-71.6	0	0	0	0	104.3	S192 D196	S192-C194 VanDerWaalsContact C-N 3.28Å; S192-C194 PolarHBondContact O-N 3.04Å; C194-D196 PolarHBondContact O-N 3.41Å
195	R	22.7	Very low	24.2	Very low	231 Å²	231	151 Å²	151	87%	0.872	76%	0.757	S	S	*	*			trans	-80.1	54.8	177.5	-162.7	-171	-159.1	178.3	7.7	107.2	L193	L193-R195 PolarHBondContact O-N 3.48Å
196	D	25	Very low	24.3	Very low	136 Å²	136	150.5 Å²	150.5	73%	0.727	76%	0.757	S	S	*	*			trans	-113.1	125.7	171.3	-69.9	-40.8	0	0	0	105.8	C194	C194-D196 PolarHBondContact O-N 3.41Å
197	E	26.7	Very low	24.4	Very low	190 Å²	190	152 Å²	152	89%	0.888	76%	0.761	S	S	*	*			trans	87.2	66.3	174.7	-45.4	-166.1	156.2	0	0	116.9	P199	E197-P199 VanDerWaalsContact C-CD 3.48Å; E197-P199 WeakPolarHBondContact O-CD 3.09Å
198	L	22.9	Very low	24.6	Very low	160 Å²	160	153.9 Å²	153.9	84%	0.838	77%	0.772	S	S	*	*			trans	-110.7	85.6	156.8	-148.2	149.6	0	0	0	109.9
199	P	24.5	Very low	24.6	Very low	104 Å²	104	153.4 Å²	153.4	68%	0.675	78%	0.779	S	S	*	*			trans	-90.3	106.2	161.9	8.9	10.7	0	0	0	109.7	E197	E197-P199 VanDerWaalsContact C-CD 3.48Å; E197-P199 WeakPolarHBondContact O-CD 3.09Å
200	Q	25.2	Very low	24.7	Very low	183 Å²	183	158.9 Å²	158.9	86%	0.855	80%	0.797	S	S	*	*			trans	47.9	81.6	141.9	-54.8	-176	17.3	0	0	118.2
201	L	25.3	Very low	24.9	Very low	172 Å²	172	154.4 Å²	154.4	90%	0.901	79%	0.791	S	S	*	*			trans	-118.3	58.1	152.9	-100.7	150.8	0	0	0	109.9
202	R	23.1	Very low	25.1	Very low	232 Å²	232	155.1 Å²	155.1	88%	0.875	79%	0.79	S	S	*	*			trans	-82.1	100.6	153.8	-87.9	-167.7	176.3	170.1	0.3	106.8
203	Q	25.9	Very low	25.5	Very low	168 Å²	168	156.6 Å²	156.6	79%	0.785	79%	0.79	S	S	*	*			trans	173.5	101	150.9	-99.5	161.7	45.4	0	0	110.3
204	H	24	Very low	25.7	Very low	159 Å²	159	155.2 Å²	155.2	74%	0.736	79%	0.793	S	S	*	*				148.4	116.8	119.4	-106.6	-79.8	0	0	0	112.7	S206	H204-S206 PolarHBondContact O-N 3.06Å
205	P	27.2	Very low	26.2	Very low	126 Å²	126	153.6 Å²	153.6	82%	0.818	79%	0.788	S	S	*	*			trans	-84.1	97.6	164.4	31	-26.6	0	0	0	109
206	S	29.1	Very low	26.5	Very low	84 Å²	84	147.1 Å²	147.1	59%	0.587	78%	0.784	S	S	*	*			trans	-97.8	106.8	171.3	54.5	0	0	0	0	110.3	H204 H208	H204-S206 PolarHBondContact O-N 3.06Å; S206-H208 PolarHBondContact O-N 3.49Å
207	K	26.6	Very low	26.7	Very low	202 Å²	202	145.4 Å²	145.4	88%	0.878	78%	0.778	S	S	*	*			trans	-55.3	114.8	161.2	-63.5	173.4	176.3	-179.9	0	108.6
208	H	27.1	Very low	26.6	Very low	173 Å²	173	141.8 Å²	141.8	80%	0.801	77%	0.765	S	S	*	*			trans	-121.1	113.7	163.7	-80.3	-68.2	0	0	0	110.2	S206	S206-H208 PolarHBondContact O-N 3.49Å
209	S	26.2	Very low	27.1	Very low	109 Å²	109	137.8 Å²	137.8	76%	0.762	76%	0.755	S	S	*	*			trans	-59.2	147.1	177	-41	0	0	0	0	112.2	N211	S209-N211 PolarHBondContact O-N 3.14Å
210	L	25.5	Very low	27.3	Very low	156 Å²	156	139.7 Å²	139.7	82%	0.817	76%	0.76	S	S	*	*			trans	-12.8	116.2	155.3	-78.2	143.1	0	0	0	114	E212	L210-E212 HydrophobicContact CD2-CG 4.42Å
211	N	25.9	Very low	27.5	Very low	140 Å²	140	138.2 Å²	138.2	75%	0.749	75%	0.752	S	S	*	*			trans	-129.9	92.8	154.9	-143.1	9.2	0	0	0	107.6	S209 N213	S209-N211 PolarHBondContact O-N 3.14Å; N211-N213 PolarHBondContact O-N 3.08Å
212	E	26.5	Very low	27.7	Very low	172 Å²	172	136.7 Å²	136.7	80%	0.804	74%	0.744	S	S	*	*			trans	-64.8	76	168.8	-67.3	176.8	131.7	0	0	109.2	L210	L210-E212 HydrophobicContact CD2-CG 4.42Å
213	N	30.9	Very low	28	Very low	129 Å²	129	129.5 Å²	129.5	69%	0.69	74%	0.735	S	S	*	*			trans	-102.6	89.3	163.6	-82.4	-13.3	0	0	0	108.4	N211 A215	N211-N213 PolarHBondContact O-N 3.08Å; N213-A215 PolarHBondContact O-N 3.37Å
214	S	28.2	Very low	27.9	Very low	125 Å²	125	129.8 Å²	129.8	87%	0.874	73%	0.734	S	S	*	*			trans	-47.2	85.2	154	176.2	0	0	0	0	109.9
215	A	30.6	Very low	28.2	Very low	74 Å²	74	127.7 Å²	127.7	61%	0.612	73%	0.734	S	S	*	*			trans	-101.7	99.5	155.7	0	0	0	0	0	104.9	N213 V217	N213-A215 PolarHBondContact O-N 3.37Å; A215-V217 WeakPolarHBondContact O-CG2 3.42Å; A215-V217 PolarHBondContact O-N 3.3Å
216	A	29.7	Very low	28.2	Very low	96 Å²	96	127.6 Å²	127.6	79%	0.793	74%	0.735	S	S	*	*			trans	-57.6	88.7	162.5	0	0	0	0	0	107.4	N218	A216-N218 VanDerWaalsContact C-N 3.34Å; A216-N218 PolarHBondContact O-N 3.24Å
217	V	28.6	Very low	28.2	Very low	99 Å²	99	132.7 Å²	132.7	60%	0.6	75%	0.749	S	S	*	*			trans	-69	101.4	173.4	-178.6	0	0	0	0	104.9	A215 A219 L222	A215-V217 WeakPolarHBondContact O-CG2 3.42Å; A215-V217 PolarHBondContact O-N 3.3Å; V217-A219 PolarHBondContact O-N 3.19Å; V217-L222 HydrophobicContact CG1-CD1 4.22Å
218	N	25.4	Very low	28.3	Very low	114 Å²	114	126.3 Å²	126.3	61%	0.61	74%	0.741	S	S	*	*			trans	-46.5	114.8	172.8	-116.5	-40.4	0	0	0	108.3	A216 N220 Q221	A216-N218 VanDerWaalsContact C-N 3.34Å; A216-N218 PolarHBondContact O-N 3.24Å; N218-N220 PolarHBondContact O-N 3.33Å; N218-Q221 PolarHBondContact O-N 3.02Å
219	A	32.8	Very low	28.7	Very low	76 Å²	76	127.4 Å²	127.4	63%	0.628	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-54.3	-20	-178.6	0	0	0	0	0	112.8	V217 Q221 L222	V217-A219 PolarHBondContact O-N 3.19Å; A219-Q221 PolarHBondContact O-N 3.04Å; A219-L222 PolarHBondContact O-N 3.45Å
220	N	30.1	Very low	29.2	Very low	145 Å²	145	127.5 Å²	127.5	78%	0.775	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-69.6	-7.8	174.3	-67.7	-13	0	0	0	114.7	N218	N218-N220 PolarHBondContact O-N 3.33Å
221	Q	28.2	Very low	29.5	Very low	151 Å²	151	125.2 Å²	125.2	71%	0.706	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-95	-12.9	172.1	-67.7	-166	27.4	0	0	114.3	N218 A219 A223	N218-Q221 PolarHBondContact O-N 3.02Å; A219-Q221 PolarHBondContact O-N 3.04Å; Q221-A223 VanDerWaalsContact C-N 3.31Å
222	L	30.5	Very low	30.1	Very low	140 Å²	140	125.1 Å²	125.1	73%	0.733	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-9.4	175.7	-96.9	124.6	0	0	0	113.5	V217 A219 K224	V217-L222 HydrophobicContact CG1-CD1 4.22Å; A219-L222 PolarHBondContact O-N 3.45Å; L222-K224 PolarHBondContact O-N 3.28Å
223	A	28	Very low	30.6	Very low	82 Å²	82	125.3 Å²	125.3	68%	0.678	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	26.5	170.1	0	0	0	0	0	112.9	Q221 P225	Q221-A223 VanDerWaalsContact C-N 3.31Å; A223-P225 WeakPolarHBondContact O-CD 3.46Å
224	K	25.2	Very low	31	Very low	174 Å²	174	123.4 Å²	123.4	76%	0.757	71%	0.714	S	S	*	*	S	Bend	trans	-72.6	109.1	156.5	-82.2	-170.4	177.4	-176	0	105.6	L222 C226	L222-K224 PolarHBondContact O-N 3.28Å; K224-C226 PolarHBondContact O-N 2.95Å
225	P	29	Very low	31.6	Very low	115 Å²	115	122.7 Å²	122.7	75%	0.747	70%	0.7	S	S	*	*			trans	-52.7	119.5	170.9	23.1	-30.8	0	0	0	105.5	A223 E227	A223-P225 WeakPolarHBondContact O-CD 3.46Å; P225-E227 PolarHBondContact O-N 2.94Å
226	C	28.8	Very low	32	Very low	123 Å²	123	122.5 Å²	122.5	83%	0.831	69%	0.689	S	S	*	*			trans	-49	107.9	175.6	-71.9	0	0	0	0	106.7	K224 G228	K224-C226 PolarHBondContact O-N 2.95Å; C226-G228 PolarHBondContact O-N 3.23Å
227	E	28	Very low	32.6	Very low	191 Å²	191	121.5 Å²	121.5	89%	0.893	67%	0.672	S	S	*	*			trans	-47.9	127.2	175.3	-79.2	176.6	144.7	0	0	106.9	P225 K229	P225-E227 PolarHBondContact O-N 2.94Å; E227-K229 PolarHBondContact O-N 3.26Å
228	G	29.5	Very low	33	Very low	69 Å²	69	121.3 Å²	121.3	71%	0.711	67%	0.668	S	S	*	*			trans	-37.1	103.5	-161.2	0	0	0	0	0	113.3	C226 V230	C226-G228 PolarHBondContact O-N 3.23Å; G228-V230 PolarHBondContact O-N 3.3Å
229	K	34.4	Very low	33.8	Very low	195 Å²	195	118.6 Å²	118.6	85%	0.848	65%	0.651	S	S	*	*			trans	-59.7	107	144	-80.8	-171.1	177.8	179.9	0	103.3	E227 D231	E227-K229 PolarHBondContact O-N 3.26Å; K229-D231 PolarHBondContact O-N 2.97Å
230	V	36.6	Very low	34.2	Very low	112 Å²	112	121.6 Å²	121.6	68%	0.679	65%	0.654	S	S	*	*			trans	-31.1	112.2	172.4	178.9	0	0	0	0	106.1	G228 N232	G228-V230 PolarHBondContact O-N 3.3Å; V230-N232 PolarHBondContact O-N 3.05Å
231	D	32.8	Very low	34.8	Very low	108 Å²	108	119.4 Å²	119.4	58%	0.578	64%	0.639	S	S	*	*			trans	-61.7	89.2	179	-148.8	-12.1	0	0	0	103.2	K229 R233	K229-D231 PolarHBondContact O-N 2.97Å; D231-R233 HydrophobicContact CB-CG 4.23Å; D231-R233 PolarHBondContact O-N 3.37Å; D231-R233 WeakPolarHBondContact OD1-CG 3.48Å; D231-R233 IonicContact OD1-NE 3.33Å; D231-R233 PolarHBondContact OD1-NE 3.04Å; D231-R233 IonicContact OD2-CZ 2.78Å; D231-R233 VanDerWaalsContact OD2-CZ 3.3Å; D231-R233 IonicContact OD2-NE 2.78Å; D231-R233 PolarHBondContact OD2-NE 3.09Å; D231-R233 IonicContact OD2-NH2 3.04Å; D231-R233 PolarHBondContact OD2-NH2 3.12Å
232	N	38.2	Very low	35.8	Very low	137 Å²	137	119.6 Å²	119.6	73%	0.733	65%	0.645	S	S	*	*			trans	-73.3	44.8	-179.4	-91.5	-6.9	0	0	0	107.3	V230 V234	V230-N232 PolarHBondContact O-N 3.05Å; N232-V234 VanDerWaalsContact C-N 3.28Å; N232-V234 WeakPolarHBondContact O-CG2 3.3Å; N232-V234 PolarHBondContact O-N 3.43Å
233	R	36.4	Very low	36.6	Very low	177 Å²	177	118.8 Å²	118.8	67%	0.668	64%	0.635	S	S	*	*			trans	-58.3	101.7	168	-65.6	-169.7	-173.4	-159.2	3.7	105	D231 N235	D231-R233 HydrophobicContact CB-CG 4.23Å; D231-R233 PolarHBondContact O-N 3.37Å; D231-R233 WeakPolarHBondContact OD1-CG 3.48Å; D231-R233 IonicContact OD1-NE 3.33Å; D231-R233 PolarHBondContact OD1-NE 3.04Å; D231-R233 IonicContact OD2-CZ 2.78Å; D231-R233 VanDerWaalsContact OD2-CZ 3.3Å; D231-R233 IonicContact OD2-NE 2.78Å; D231-R233 PolarHBondContact OD2-NE 3.09Å; D231-R233 IonicContact OD2-NH2 3.04Å; D231-R233 PolarHBondContact OD2-NH2 3.12Å; R233-N235 VanDerWaalsContact C-N 3.32Å; R233-N235 PolarHBondContact O-N 3Å
234	V	39.6	Very low	37.2	Very low	88 Å²	88	115 Å²	115	53%	0.533	61%	0.605	S	S	.	*			trans	-67.7	101.5	171.3	-172.2	0	0	0	0	104.5	N232 L236	N232-V234 VanDerWaalsContact C-N 3.28Å; N232-V234 WeakPolarHBondContact O-CG2 3.3Å; N232-V234 PolarHBondContact O-N 3.43Å; V234-L236 HydrophobicContact CB-CG 4.44Å; V234-L236 HydrophobicContact CG1-CD2 3.64Å; V234-L236 HydrophobicContact CG1-CG 3.91Å; V234-L236 PolarHBondContact O-N 3.21Å
235	N	40.4	Very low	38.2	Very low	111 Å²	111	109.1 Å²	109.1	59%	0.594	58%	0.581	S	S	*	*			trans	-64.6	108.1	170.3	-80.5	-27.5	0	0	0	106.7	R233 G249	R233-N235 VanDerWaalsContact C-N 3.32Å; R233-N235 PolarHBondContact O-N 3Å; N235-G249 WeakPolarHBondContact O-CA 3.49Å
236	L	39.7	Very low	38.8	Very low	70 Å²	70	106.9 Å²	106.9	37%	0.366	56%	0.558	S	S	.	*			trans	-104.5	125.2	175	-64.9	174.5	0	0	0	108.4	F187 V234 V247 K248	F187-L236 HydrophobicContact CB-CD1 4.48Å; F187-L236 HydrophobicContact CD1-CD1 3.98Å; F187-L236 HydrophobicContact CG-CD1 4.45Å; V234-L236 HydrophobicContact CB-CG 4.44Å; V234-L236 HydrophobicContact CG1-CD2 3.64Å; V234-L236 HydrophobicContact CG1-CG 3.91Å; V234-L236 PolarHBondContact O-N 3.21Å; L236-V247 HydrophobicContact CB-CG1 4.49Å; L236-V247 HydrophobicContact CD2-CG1 4.27Å; L236-K248 CarbonylContact C-O 3.47Å; L236-K248 VanDerWaalsContact CA-O 3.23Å; L236-K248 WeakPolarHBondContact CA-O 3.48Å
237	T	41.7	Very low	39.6	Very low	74 Å²	74	101.6 Å²	101.6	45%	0.454	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123	173.3	-52	0	0	0	0	108.5	E239 K248	T237-E239 HydrophobicContact CG2-CG 4.42Å; T237-K248 PolarHBondContact N-O 3.24Å; T237-K248 PolarHBondContact O-N 2.83Å
238	L	37.5	Very low	40.3	Very low	96 Å²	96	96.1 Å²	96.1	50%	0.503	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.7	174.1	-80	82.9	0	0	0	110.2	Y178 Y246 V247	Y178-L238 PolarHBondContact OH-O 3.43Å; Y178-L238 VanDerWaalsContact OH-O 3.08Å; L238-Y246 CarbonylContact C-O 3.46Å; L238-Y246 WeakPolarHBondContact CA-O 3.43Å; L238-V247 HydrophobicContact CD1-CG1 4.19Å; L238-V247 HydrophobicContact CD2-CG2 4.42Å; L238-V247 HydrophobicContact CG-CG1 4.37Å; L238-V247 HydrophobicContact CG-CG2 4.17Å
239	E	42.8	Very low	41	Very low	56 Å²	56	93.6 Å²	93.6	26%	0.262	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.4	174.5	-68.1	174.7	-159	0	0	109.6	T237 H241 I245 Y246 K248	T237-E239 HydrophobicContact CG2-CG 4.42Å; E239-H241 IonicContact OE2-NE2 2.69Å; E239-H241 PolarHBondContact OE2-NE2 2.97Å; E239-I245 CarbonylContact O-C 3.51Å; E239-Y246 PolarHBondContact N-O 2.63Å; E239-Y246 PolarHBondContact O-N 2.95Å; E239-K248 IonicContact OE1-NZ 3.3Å; E239-K248 PolarHBondContact OE1-NZ 2.8Å; E239-K248 WeakPolarHBondContact OE2-CE 3.31Å; E239-K248 IonicContact OE2-NZ 3.31Å; E239-K248 PolarHBondContact OE2-NZ 2.87Å
240	M	41.1	Very low	41.6	Very low	140 Å²	140	90.3 Å²	90.3	69%	0.69	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.2	175.6	-173.3	-179.2	73	0	0	109.2	A244 I245	M240-A244 WeakPolarHBondContact CA-O 3.3Å; M240-I245 HydrophobicContact CG-CG1 4.22Å
241	H	43.5	Very low	41.9	Very low	98 Å²	98	90.2 Å²	90.2	45%	0.454	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	123.7	177	-61.3	-91.5	0	0	0	109.6	E239 K243 A244 Y246	E239-H241 IonicContact OE2-NE2 2.69Å; E239-H241 PolarHBondContact OE2-NE2 2.97Å; H241-K243 PolarHBondContact O-N 3.02Å; H241-A244 PolarHBondContact N-O 2.92Å; H241-A244 PolarHBondContact O-N 3.44Å; H241-A244 VanDerWaalsContact O-O 3.11Å; H241-Y246 HydrophobicContact CB-CE2 3.99Å; H241-Y246 AromaticContact CD2-CD2 3.6Å; H241-Y246 AromaticContact CD2-CE2 3.74Å
242	D	48.7	Very low	42.3	Very low	155 Å²	155	92.3 Å²	92.3	83%	0.829	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.1	-87.3	179	-66.4	-19.1	0	0	0	115.1
243	K	45.9	Very low	42.4	Very low	123 Å²	123	91.6 Å²	91.6	54%	0.535	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	28.6	-176.6	-60.9	-170.7	176.7	-166.6	0	111.8	H241 S257 L258 F260	H241-K243 PolarHBondContact O-N 3.02Å; K243-S257 CarbonylContact O-C 3.51Å; K243-L258 PolarHBondContact O-N 2.91Å; K243-F260 HydrophobicContact CD-CD2 4.26Å; K243-F260 HydrophobicContact CG-CD2 4.2Å; K243-F260 HydrophobicContact CG-CE2 4.35Å
244	A	42.2	Very low	42.6	Very low	4 Å²	4	87.9 Å²	87.9	3%	0.033	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	142.4	179.3	0	0	0	0	0	112.9	M240 H241 Y246 K255 I256	M240-A244 WeakPolarHBondContact CA-O 3.3Å; H241-A244 PolarHBondContact N-O 2.92Å; H241-A244 PolarHBondContact O-N 3.44Å; H241-A244 VanDerWaalsContact O-O 3.11Å; A244-Y246 HydrophobicContact CB-CD2 4.3Å; A244-Y246 HydrophobicContact CB-CE2 3.61Å; A244-K255 HydrophobicContact CB-CD 4.42Å; A244-K255 VanDerWaalsContact CB-CE 3.46Å; A244-K255 HydrophobicContact CB-CG 4.11Å; A244-I256 CarbonylContact C-O 3.49Å; A244-I256 WeakPolarHBondContact CA-O 3.37Å
245	I	46.1	Very low	42.8	Very low	50 Å²	50	89.1 Å²	89.1	26%	0.256	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.5	169.4	-56.6	170.7	0	0	0	107.5	E239 M240 K255 I256 L258	E239-I245 CarbonylContact O-C 3.51Å; M240-I245 HydrophobicContact CG-CG1 4.22Å; I245-K255 CarbonylContact O-C 3.58Å; I245-K255 WeakPolarHBondContact O-CA 3.43Å; I245-I256 HydrophobicContact CB-CB 4.36Å; I245-I256 PolarHBondContact N-O 2.95Å; I245-I256 PolarHBondContact O-N 2.93Å; I245-L258 HydrophobicContact CD1-CD1 4.48Å; I245-L258 HydrophobicContact CD1-CD2 4.35Å; I245-L258 HydrophobicContact CG1-CD1 4.36Å
246	Y	41.6	Very low	42.9	Very low	68 Å²	68	87.7 Å²	87.7	27%	0.267	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.6	177.7	-62.9	-99.5	0	0	0	108.9	L238 E239 H241 A244 M254 K255	L238-Y246 CarbonylContact C-O 3.46Å; L238-Y246 WeakPolarHBondContact CA-O 3.43Å; E239-Y246 PolarHBondContact N-O 2.63Å; E239-Y246 PolarHBondContact O-N 2.95Å; H241-Y246 HydrophobicContact CB-CE2 3.99Å; H241-Y246 AromaticContact CD2-CD2 3.6Å; H241-Y246 AromaticContact CD2-CE2 3.74Å; A244-Y246 HydrophobicContact CB-CD2 4.3Å; A244-Y246 HydrophobicContact CB-CE2 3.61Å; Y246-M254 CarbonylContact C-O 3.58Å; Y246-M254 VanDerWaalsContact CA-O 3.3Å; Y246-M254 WeakPolarHBondContact CA-O 3.48Å; Y246-K255 HydrophobicContact CD1-CB 3.97Å; Y246-K255 HydrophobicContact CD1-CD 4.35Å; Y246-K255 HydrophobicContact CD1-CG 3.94Å; Y246-K255 HydrophobicContact CE1-CB 4Å; Y246-K255 HydrophobicContact CE1-CD 3.54Å; Y246-K255 HydrophobicContact CE1-CG 3.61Å; Y246-K255 VanDerWaalsContact OH-CE 3.25Å; Y246-K255 WeakPolarHBondContact OH-CE 3.48Å; Y246-K255 PolarHBondContact OH-NZ 2.9Å; Y246-K255 VanDerWaalsContact OH-NZ 3.17Å
247	V	45	Very low	43	Very low	11 Å²	11	87.7 Å²	87.7	7%	0.067	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	108.3	173.2	-170.8	0	0	0	0	106.8	L236 L238 N253 M254	L236-V247 HydrophobicContact CB-CG1 4.49Å; L236-V247 HydrophobicContact CD2-CG1 4.27Å; L238-V247 HydrophobicContact CD1-CG1 4.19Å; L238-V247 HydrophobicContact CD2-CG2 4.42Å; L238-V247 HydrophobicContact CG-CG1 4.37Å; L238-V247 HydrophobicContact CG-CG2 4.17Å; V247-N253 CarbonylContact O-C 3.58Å; V247-N253 VanDerWaalsContact O-CA 3.29Å; V247-N253 WeakPolarHBondContact O-CA 3.5Å; V247-M254 HydrophobicContact CB-CB 4.22Å; V247-M254 PolarHBondContact N-O 3.11Å; V247-M254 PolarHBondContact O-N 3.4Å
248	K	43.6	Very low	43	Very low	77 Å²	77	86.3 Å²	86.3	34%	0.335	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.9	179.4	-64.3	178.8	-174.4	165.3	0	110.2	L236 T237 E239 N253	L236-K248 CarbonylContact C-O 3.47Å; L236-K248 VanDerWaalsContact CA-O 3.23Å; L236-K248 WeakPolarHBondContact CA-O 3.48Å; T237-K248 PolarHBondContact N-O 3.24Å; T237-K248 PolarHBondContact O-N 2.83Å; E239-K248 IonicContact OE1-NZ 3.3Å; E239-K248 PolarHBondContact OE1-NZ 2.8Å; E239-K248 WeakPolarHBondContact OE2-CE 3.31Å; E239-K248 IonicContact OE2-NZ 3.31Å; E239-K248 PolarHBondContact OE2-NZ 2.87Å; K248-N253 WeakPolarHBondContact CA-OD1 3.47Å; K248-N253 WeakPolarHBondContact CB-OD1 3.5Å
249	G	43.8	Very low	43.3	Very low	15 Å²	15	89.4 Å²	89.4	16%	0.155	46%	0.461	C	S	.	.			trans	-125.3	172.8	173.4	0	0	0	0	0	111.8	N235 S251 Q252 N253	N235-G249 WeakPolarHBondContact O-CA 3.49Å; G249-S251 PolarHBondContact O-N 2.98Å; G249-S251 VanDerWaalsContact O-N 3.14Å; G249-Q252 WeakPolarHBondContact CA-O 3.43Å; G249-Q252 PolarHBondContact N-O 2.77Å; G249-N253 PolarHBondContact N-OD1 3.39Å
250	N	47.2	Very low	43.5	Very low	127 Å²	127	96.2 Å²	96.2	68%	0.679	49%	0.49	S	S	*	.	S	Bend	trans	-55.9	-31.8	179.5	-70.8	-15.9	0	0	0	113.6
251	S	42	Very low	43.6	Very low	109 Å²	109	94 Å²	94	76%	0.762	48%	0.48	S	S	*	.	S	Bend	trans	-125.8	-14.2	-175.4	54.5	0	0	0	0	114.7	G249	G249-S251 PolarHBondContact O-N 2.98Å; G249-S251 VanDerWaalsContact O-N 3.14Å
252	Q	40.9	Very low	43.6	Very low	152 Å²	152	93.8 Å²	93.8	71%	0.71	48%	0.481	S	S	*	.			trans	-144.5	137.8	-176	-70.2	-173.7	-2.8	0	0	110.9	G249	G249-Q252 WeakPolarHBondContact CA-O 3.43Å; G249-Q252 PolarHBondContact N-O 2.77Å
253	N	41.7	Very low	43.3	Very low	122 Å²	122	90.4 Å²	90.4	65%	0.652	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	135.9	172.4	-60.6	-32.3	0	0	0	108.5	V247 K248 G249	V247-N253 CarbonylContact O-C 3.58Å; V247-N253 VanDerWaalsContact O-CA 3.29Å; V247-N253 WeakPolarHBondContact O-CA 3.5Å; K248-N253 WeakPolarHBondContact CA-OD1 3.47Å; K248-N253 WeakPolarHBondContact CB-OD1 3.5Å; G249-N253 PolarHBondContact N-OD1 3.39Å
254	M	40.3	Very low	43.2	Very low	99 Å²	99	88.5 Å²	88.5	49%	0.488	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.6	176.5	-165.5	-178	-53.8	0	0	109.1	Y246 V247	Y246-M254 CarbonylContact C-O 3.58Å; Y246-M254 VanDerWaalsContact CA-O 3.3Å; Y246-M254 WeakPolarHBondContact CA-O 3.48Å; V247-M254 HydrophobicContact CB-CB 4.22Å; V247-M254 PolarHBondContact N-O 3.11Å; V247-M254 PolarHBondContact O-N 3.4Å
255	K	43.9	Very low	43.2	Very low	115 Å²	115	93.8 Å²	93.8	50%	0.5	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.8	171	179.5	-173.6	177	170	0	108.2	A244 I245 Y246	A244-K255 HydrophobicContact CB-CD 4.42Å; A244-K255 VanDerWaalsContact CB-CE 3.46Å; A244-K255 HydrophobicContact CB-CG 4.11Å; I245-K255 CarbonylContact O-C 3.58Å; I245-K255 WeakPolarHBondContact O-CA 3.43Å; Y246-K255 HydrophobicContact CD1-CB 3.97Å; Y246-K255 HydrophobicContact CD1-CD 4.35Å; Y246-K255 HydrophobicContact CD1-CG 3.94Å; Y246-K255 HydrophobicContact CE1-CB 4Å; Y246-K255 HydrophobicContact CE1-CD 3.54Å; Y246-K255 HydrophobicContact CE1-CG 3.61Å; Y246-K255 VanDerWaalsContact OH-CE 3.25Å; Y246-K255 WeakPolarHBondContact OH-CE 3.48Å; Y246-K255 PolarHBondContact OH-NZ 2.9Å; Y246-K255 VanDerWaalsContact OH-NZ 3.17Å
256	I	42.3	Very low	43	Very low	80 Å²	80	96.7 Å²	96.7	41%	0.41	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	106.3	173.2	-55.2	172.3	0	0	0	106.3	A244 I245	A244-I256 CarbonylContact C-O 3.49Å; A244-I256 WeakPolarHBondContact CA-O 3.37Å; I245-I256 HydrophobicContact CB-CB 4.36Å; I245-I256 PolarHBondContact N-O 2.95Å; I245-I256 PolarHBondContact O-N 2.93Å
257	S	41.4	Very low	43.1	Very low	71 Å²	71	98.7 Å²	98.7	50%	0.497	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	135.4	172.6	-60.5	0	0	0	0	109.8	K243	K243-S257 CarbonylContact O-C 3.51Å
258	L	41.9	Very low	43	Very low	45 Å²	45	105.5 Å²	105.5	24%	0.236	55%	0.55	C	S	.	*			trans	-96.6	93.2	172.9	-56.5	176.5	0	0	0	107	K243 I245 F260	K243-L258 PolarHBondContact O-N 2.91Å; I245-L258 HydrophobicContact CD1-CD1 4.48Å; I245-L258 HydrophobicContact CD1-CD2 4.35Å; I245-L258 HydrophobicContact CG1-CD1 4.36Å; L258-F260 HydrophobicContact CB-CD2 4.21Å; L258-F260 HydrophobicContact CB-CE2 3.52Å; L258-F260 HydrophobicContact CB-CZ 3.78Å; L258-F260 HydrophobicContact CD1-CE2 4.23Å; L258-F260 HydrophobicContact CD1-CZ 4.05Å; L258-F260 WeakPolarHBondContact O-CD2 3.38Å; L258-F260 PolarHBondContact O-N 3.22Å
259	D	44.1	Very low	43	Very low	161 Å²	161	107.8 Å²	107.8	86%	0.861	57%	0.568	S	S	*	*			trans	-70	113.5	170	-76	-25.1	0	0	0	108.2
260	F	45.7	Very low	42.9	Very low	198 Å²	198	116.3 Å²	116.3	87%	0.868	61%	0.606	S	S	*	*			trans	-114.8	0	166.8	-52.1	-81.7	0	0	0	108.3	K243 L258	K243-F260 HydrophobicContact CD-CD2 4.26Å; K243-F260 HydrophobicContact CG-CD2 4.2Å; K243-F260 HydrophobicContact CG-CE2 4.35Å; L258-F260 HydrophobicContact CB-CD2 4.21Å; L258-F260 HydrophobicContact CB-CE2 3.52Å; L258-F260 HydrophobicContact CB-CZ 3.78Å; L258-F260 HydrophobicContact CD1-CE2 4.23Å; L258-F260 HydrophobicContact CD1-CZ 4.05Å; L258-F260 WeakPolarHBondContact O-CD2 3.38Å; L258-F260 PolarHBondContact O-N 3.22Å

Retrieved 260 of 260 residues in 191.6 ms (Link to these results)

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