A0A3Q0KHH5_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KHH5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 304 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	34.2	Very low	28.5	Very low	234 Å²	234	159.5 Å²	159.5	100%	1.153	83%	0.83	S	S	*	*				0	144.2	0	-111.6	-175.3	172.4	0	0	109.2
2	K	33.5	Very low	28.3	Very low	194 Å²	194	160.6 Å²	160.6	84%	0.843	84%	0.836	S	S	*	*			trans	76.3	101.4	175.5	-58.4	179.5	178.7	179.1	0	113.1
3	H	23.4	Very low	28.3	Very low	187 Å²	187	161.5 Å²	161.5	87%	0.866	83%	0.833	S	S	*	*				52.4	123.8	53	-88.3	-59.6	0	0	0	115.6
4	S	25.7	Very low	28.3	Very low	104 Å²	104	156.7 Å²	156.7	73%	0.727	83%	0.829	S	S	*	*			trans	77.6	112.6	147.6	58.5	0	0	0	0	120.8
5	R	27.7	Very low	28.1	Very low	238 Å²	238	150.8 Å²	150.8	90%	0.898	82%	0.821	S	S	*	*				175.9	112.8	111.2	-93.4	168.7	173.9	-178.6	-2.1	108.7
6	S	26.3	Very low	28	Very low	115 Å²	115	144.7 Å²	144.7	80%	0.804	80%	0.804	S	S	*	*				52.7	108.4	100.7	-169.3	0	0	0	0	114.4
7	S	34.3	Very low	28.1	Very low	112 Å²	112	148.1 Å²	148.1	78%	0.783	81%	0.808	S	S	*	*			trans	-148.7	117.1	144.6	-175.9	0	0	0	0	108.6	N9	S7-N9 PolarHBondContact O-N 2.86Å
8	N	25.1	Very low	28	Very low	139 Å²	139	152.7 Å²	152.7	74%	0.743	81%	0.814	S	S	*	*			trans	-51.5	131.3	157.8	-76.7	-28.3	0	0	0	109.3
9	N	30.4	Very low	27.9	Very low	147 Å²	147	155 Å²	155	79%	0.786	81%	0.81	S	S	*	*			trans	-161.1	98.2	139	-94	-21.3	0	0	0	107.3	S7 S11	S7-N9 PolarHBondContact O-N 2.86Å; N9-S11 PolarHBondContact O-N 3.49Å
10	H	24.7	Very low	27.7	Very low	199 Å²	199	156 Å²	156	92%	0.921	81%	0.812	S	S	*	*			trans	-59.8	83	155.3	-88.6	-79.4	0	0	0	108.1
11	S	28.5	Very low	27.6	Very low	86 Å²	86	154.5 Å²	154.5	60%	0.601	81%	0.805	S	S	*	*			trans	-105.9	108.5	159.2	59.9	0	0	0	0	107.4	N9 H13	N9-S11 PolarHBondContact O-N 3.49Å; S11-H13 PolarHBondContact O-N 3.37Å
12	L	26	Very low	27.2	Very low	172 Å²	172	146.4 Å²	146.4	90%	0.901	77%	0.771	S	S	*	*			trans	-53.8	81.2	165.8	-73.3	145.2	0	0	0	110.1
13	H	28	Very low	27.1	Very low	172 Å²	172	142.5 Å²	142.5	80%	0.796	78%	0.775	S	S	*	*			trans	-113.9	62.2	156.2	-86.6	-68	0	0	0	107.8	S11 G15	S11-H13 PolarHBondContact O-N 3.37Å; H13-G15 PolarHBondContact O-N 3.34Å
14	A	27.7	Very low	27.5	Very low	95 Å²	95	141.3 Å²	141.3	79%	0.785	77%	0.774	S	S	*	*			trans	-69.1	70.1	149.5	0	0	0	0	0	106.9	G16	A14-G16 PolarHBondContact O-N 2.78Å
15	G	26.5	Very low	27.6	Very low	68 Å²	68	141.9 Å²	141.9	70%	0.701	77%	0.765	S	S	*	*			trans	-64.8	79	162.4	0	0	0	0	0	106.1	H13 K17	H13-G15 PolarHBondContact O-N 3.34Å; G15-K17 PolarHBondContact O-N 2.96Å
16	G	26.5	Very low	27.6	Very low	53 Å²	53	135.1 Å²	135.1	55%	0.546	75%	0.754	S	S	.	*			trans	-50.6	117.1	-179.2	0	0	0	0	0	107.6	A14 Y18	A14-G16 PolarHBondContact O-N 2.78Å; G16-Y18 PolarHBondContact O-N 2.86Å
17	K	29.2	Very low	28	Very low	202 Å²	202	135.1 Å²	135.1	88%	0.878	75%	0.752	S	S	*	*			trans	-36.5	110.4	162.6	-67.7	172.2	175.6	177.7	0	107.2	G15 R19	G15-K17 PolarHBondContact O-N 2.96Å; K17-R19 PolarHBondContact O-N 2.76Å
18	Y	26.6	Very low	28	Very low	232 Å²	232	135.1 Å²	135.1	91%	0.91	75%	0.751	S	S	*	*			trans	-56.7	107.9	175.5	-70.2	-85.9	0	0	0	107	G16 M20	G16-Y18 PolarHBondContact O-N 2.86Å; Y18-M20 PolarHBondContact O-N 2.94Å
19	R	24.9	Very low	28.2	Very low	196 Å²	196	135.4 Å²	135.4	74%	0.74	75%	0.751	S	S	*	*			trans	-66.1	116	165.6	-172	178.3	-178.2	-173.1	-2.5	104.6	K17 L21	K17-R19 PolarHBondContact O-N 2.76Å; R19-L21 PolarHBondContact O-N 3.05Å
20	M	24.8	Very low	28.3	Very low	175 Å²	175	131.8 Å²	131.8	86%	0.862	74%	0.738	S	S	*	*			trans	-53.2	106.6	164.6	-168.8	168.4	82.1	0	0	106.1	Y18 S22	Y18-M20 PolarHBondContact O-N 2.94Å; M20-S22 VanDerWaalsContact C-N 3.31Å; M20-S22 PolarHBondContact O-N 2.66Å
21	L	25.1	Very low	28.9	Very low	125 Å²	125	127.9 Å²	127.9	65%	0.654	73%	0.728	S	S	*	*			trans	-64.6	101.7	171.8	-76.3	165.1	0	0	0	105.2	R19 A23	R19-L21 PolarHBondContact O-N 3.05Å; L21-A23 PolarHBondContact O-N 2.85Å
22	S	25.4	Very low	29.1	Very low	64 Å²	64	131.4 Å²	131.4	45%	0.448	73%	0.729	S	S	.	*			trans	-48.4	139.5	166	43	0	0	0	0	108.1	M20 L24 E25	M20-S22 VanDerWaalsContact C-N 3.31Å; M20-S22 PolarHBondContact O-N 2.66Å; S22-L24 PolarHBondContact O-N 3.47Å; S22-E25 PolarHBondContact O-N 3.17Å
23	A	31.7	Very low	29.8	Very low	111 Å²	111	126.4 Å²	126.4	92%	0.917	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	17.3	-174.6	0	0	0	0	0	116.2	L21	L21-A23 PolarHBondContact O-N 2.85Å
24	L	32.6	Very low	30.4	Very low	162 Å²	162	121.3 Å²	121.3	85%	0.848	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	-1.2	176	-96.3	97.8	0	0	0	115.1	S22	S22-L24 PolarHBondContact O-N 3.47Å
25	E	27.2	Very low	31.3	Very low	117 Å²	117	120 Å²	120	55%	0.547	68%	0.677	S	S	.	*			trans	-128.2	76.3	-176.9	-68.4	-177	175.3	0	0	112.6	S22	S22-E25 PolarHBondContact O-N 3.17Å
26	S	29.2	Very low	32.2	Very low	96 Å²	96	120.5 Å²	120.5	67%	0.671	66%	0.663	S	S	*	*			trans	-135	100.8	148	56.2	0	0	0	0	107.5	S28	S26-S28 PolarHBondContact O-N 3.05Å
27	P	33	Very low	32.9	Very low	115 Å²	115	122 Å²	122	75%	0.747	66%	0.659	S	S	*	*			trans	-59.7	114.3	177.5	-11.6	23.1	0	0	0	108.1	I29	P27-I29 VanDerWaalsContact C-N 3.34Å; P27-I29 PolarHBondContact O-N 3.42Å
28	S	34.3	Very low	34	Very low	111 Å²	111	117.7 Å²	117.7	78%	0.776	64%	0.643	S	S	*	*			trans	36.7	57.7	150.5	66.7	0	0	0	0	115.1	S26 S30	S26-S28 PolarHBondContact O-N 3.05Å; S28-S30 PolarHBondContact O-N 3.35Å
29	I	30	Very low	35.3	Very low	145 Å²	145	114 Å²	114	74%	0.744	63%	0.628	S	S	*	*			trans	-74	91.9	159.5	-56.9	173.7	0	0	0	103.8	P27 V31	P27-I29 VanDerWaalsContact C-N 3.34Å; P27-I29 PolarHBondContact O-N 3.42Å; I29-V31 PolarHBondContact O-N 2.85Å
30	S	31.8	Very low	36.4	Very low	72 Å²	72	107.4 Å²	107.4	50%	0.503	61%	0.614	S	S	.	*			trans	-50.1	114.5	176.7	168	0	0	0	0	108	S28 Y32	S28-S30 PolarHBondContact O-N 3.35Å; S30-Y32 CarbonylContact C-O 3.58Å; S30-Y32 WeakPolarHBondContact CB-O 3.23Å; S30-Y32 CarbonylContact O-C 2.87Å; S30-Y32 VanDerWaalsContact O-C 3.3Å; S30-Y32 PolarHBondContact O-N 3.39Å; S30-Y32 VanDerWaalsContact O-N 3.08Å; S30-Y32 PolarHBondContact OG-O 2.9Å
31	V	37.6	Very low	37.3	Very low	117 Å²	117	105.8 Å²	105.8	71%	0.709	60%	0.599	S	S	*	*	S	Bend	trans	-58.6	-22.1	-178.5	-173.1	0	0	0	0	111.6	I29	I29-V31 PolarHBondContact O-N 2.85Å
32	Y	33.1	Very low	38.8	Very low	159 Å²	159	102.5 Å²	102.5	62%	0.624	59%	0.59	S	S	*	*	S	Bend	trans	-90.7	125.6	163.6	-105.3	-121.2	0	0	0	108.5	S30 V34 L37	S30-Y32 CarbonylContact C-O 3.58Å; S30-Y32 WeakPolarHBondContact CB-O 3.23Å; S30-Y32 CarbonylContact O-C 2.87Å; S30-Y32 VanDerWaalsContact O-C 3.3Å; S30-Y32 PolarHBondContact O-N 3.39Å; S30-Y32 VanDerWaalsContact O-N 3.08Å; S30-Y32 PolarHBondContact OG-O 2.9Å; Y32-V34 PolarHBondContact O-N 2.97Å; Y32-L37 HydrophobicContact CD1-CD1 3.12Å; Y32-L37 HydrophobicContact CE1-CD1 3.18Å; Y32-L37 HydrophobicContact CG-CD1 4.18Å
33	P	40.1	Very low	40.1	Very low	68 Å²	68	103.9 Å²	103.9	44%	0.442	59%	0.589	S	S	.	*			trans	-71.9	70.9	161.1	34.4	-33.5	0	0	0	106.7	A35 D36 L37	P33-A35 PolarHBondContact O-N 3.21Å; P33-A35 VanDerWaalsContact O-N 3.13Å; P33-D36 HydrophobicContact CB-CB 3.84Å; P33-D36 VanDerWaalsContact CB-OD2 3.28Å; P33-D36 WeakPolarHBondContact CB-OD2 3.4Å; P33-D36 HydrophobicContact CG-CB 4.19Å; P33-D36 CarbonylContact O-C 3.53Å; P33-D36 WeakPolarHBondContact O-CA 3.28Å; P33-D36 PolarHBondContact O-N 3.07Å; P33-L37 PolarHBondContact O-N 2.87Å
34	V	41.2	Very low	40.8	Very low	65 Å²	65	104.8 Å²	104.8	39%	0.394	57%	0.573	S	S	.	*	H	α-helix	trans	-52.1	-36.6	176.2	174.5	0	0	0	0	108.4	Y32 L37 M38	Y32-V34 PolarHBondContact O-N 2.97Å; V34-L37 PolarHBondContact O-N 3.28Å; V34-M38 HydrophobicContact CG1-CE 4.2Å; V34-M38 HydrophobicContact CG1-CG 3.83Å; V34-M38 WeakPolarHBondContact O-CA 3.28Å; V34-M38 WeakPolarHBondContact O-CB 3.47Å; V34-M38 WeakPolarHBondContact O-CG 3.4Å; V34-M38 PolarHBondContact O-N 3.04Å
35	A	47.3	Very low	41.4	Very low	67 Å²	67	99.9 Å²	99.9	55%	0.554	55%	0.547	S	S	*	.	H	α-helix	trans	-58.6	-45.6	172	0	0	0	0	0	113	P33 R39	P33-A35 PolarHBondContact O-N 3.21Å; P33-A35 VanDerWaalsContact O-N 3.13Å; A35-R39 WeakPolarHBondContact O-CB 3.5Å; A35-R39 PolarHBondContact O-N 3.33Å
36	D	44.1	Very low	42.7	Very low	78 Å²	78	99.3 Å²	99.3	42%	0.417	54%	0.544	S	S	.	.	H	α-helix	trans	-75	-32.5	179.7	-61.6	-36.9	0	0	0	112.3	P33 R39 A40	P33-D36 HydrophobicContact CB-CB 3.84Å; P33-D36 VanDerWaalsContact CB-OD2 3.28Å; P33-D36 WeakPolarHBondContact CB-OD2 3.4Å; P33-D36 HydrophobicContact CG-CB 4.19Å; P33-D36 CarbonylContact O-C 3.53Å; P33-D36 WeakPolarHBondContact O-CA 3.28Å; P33-D36 PolarHBondContact O-N 3.07Å; D36-R39 PolarHBondContact O-N 2.66Å; D36-R39 IonicContact OD1-CZ 3.25Å; D36-R39 VanDerWaalsContact OD1-CZ 3.25Å; D36-R39 IonicContact OD1-NH1 2.76Å; D36-R39 PolarHBondContact OD1-NH1 3.09Å; D36-R39 IonicContact OD1-NH2 3.21Å; D36-R39 PolarHBondContact OD1-NH2 2.91Å; D36-A40 VanDerWaalsContact O-CB 3.28Å; D36-A40 WeakPolarHBondContact O-CB 3.46Å; D36-A40 PolarHBondContact O-N 3.37Å
37	L	42.1	Very low	43.5	Very low	85 Å²	85	99.3 Å²	99.3	45%	0.445	53%	0.533	S	S	.	.	H	α-helix	trans	-73.3	-39.7	173.8	-77.7	165.3	0	0	0	112.5	Y32 P33 V34 R39 A40 R41	Y32-L37 HydrophobicContact CD1-CD1 3.12Å; Y32-L37 HydrophobicContact CE1-CD1 3.18Å; Y32-L37 HydrophobicContact CG-CD1 4.18Å; P33-L37 PolarHBondContact O-N 2.87Å; V34-L37 PolarHBondContact O-N 3.28Å; L37-R39 VanDerWaalsContact C-N 3.3Å; L37-A40 PolarHBondContact O-N 3.07Å; L37-R41 VanDerWaalsContact O-CB 3.23Å; L37-R41 WeakPolarHBondContact O-CB 3.42Å; L37-R41 PolarHBondContact O-N 3.37Å
38	M	52.1	Low	44	Very low	112 Å²	112	100.2 Å²	100.2	55%	0.552	52%	0.522	S	S	*	.	H	α-helix	trans	-67.2	-35.3	171.5	-69.8	-63	172.2	0	0	110.4	V34 A42	V34-M38 HydrophobicContact CG1-CE 4.2Å; V34-M38 HydrophobicContact CG1-CG 3.83Å; V34-M38 WeakPolarHBondContact O-CA 3.28Å; V34-M38 WeakPolarHBondContact O-CB 3.47Å; V34-M38 WeakPolarHBondContact O-CG 3.4Å; V34-M38 PolarHBondContact O-N 3.04Å; M38-A42 WeakPolarHBondContact O-CB 3.19Å; M38-A42 PolarHBondContact O-N 3.01Å
39	R	54.4	Low	44.6	Very low	155 Å²	155	98.5 Å²	98.5	59%	0.585	50%	0.504	S	S	*	.	H	α-helix	trans	-65.7	-46.7	171.3	-167.7	-173.7	-55.5	133.9	11.6	111.2	A35 D36 L37 R41 A42 E43	A35-R39 WeakPolarHBondContact O-CB 3.5Å; A35-R39 PolarHBondContact O-N 3.33Å; D36-R39 PolarHBondContact O-N 2.66Å; D36-R39 IonicContact OD1-CZ 3.25Å; D36-R39 VanDerWaalsContact OD1-CZ 3.25Å; D36-R39 IonicContact OD1-NH1 2.76Å; D36-R39 PolarHBondContact OD1-NH1 3.09Å; D36-R39 IonicContact OD1-NH2 3.21Å; D36-R39 PolarHBondContact OD1-NH2 2.91Å; L37-R39 VanDerWaalsContact C-N 3.3Å; R39-R41 VanDerWaalsContact C-N 3.34Å; R39-R41 PolarHBondContact O-N 3.5Å; R39-A42 PolarHBondContact O-N 2.91Å; R39-E43 WeakPolarHBondContact O-CB 3.4Å; R39-E43 PolarHBondContact O-N 3.47Å
40	A	46.9	Very low	45.5	Very low	56 Å²	56	94.6 Å²	94.6	46%	0.463	49%	0.487	S	S	.	.	H	α-helix	trans	-64	-38.5	177.2	0	0	0	0	0	112	D36 L37 F44	D36-A40 VanDerWaalsContact O-CB 3.28Å; D36-A40 WeakPolarHBondContact O-CB 3.46Å; D36-A40 PolarHBondContact O-N 3.37Å; L37-A40 PolarHBondContact O-N 3.07Å; A40-F44 VanDerWaalsContact O-CB 3.3Å; A40-F44 WeakPolarHBondContact O-CB 3.5Å; A40-F44 PolarHBondContact O-N 3.45Å
41	R	44.8	Very low	46.1	Very low	141 Å²	141	94.2 Å²	94.2	53%	0.532	48%	0.484	S	S	.	.	H	α-helix	trans	-66.3	-45.9	172.9	-179	179.5	179.9	-88.4	-1.2	111.4	L37 R39 E43 F44 I45	L37-R41 VanDerWaalsContact O-CB 3.23Å; L37-R41 WeakPolarHBondContact O-CB 3.42Å; L37-R41 PolarHBondContact O-N 3.37Å; R39-R41 VanDerWaalsContact C-N 3.34Å; R39-R41 PolarHBondContact O-N 3.5Å; R41-E43 VanDerWaalsContact C-N 3.32Å; R41-F44 PolarHBondContact O-N 3.1Å; R41-I45 HydrophobicContact CG-CD1 3.86Å; R41-I45 HydrophobicContact CG-CG1 4.49Å; R41-I45 WeakPolarHBondContact O-CB 3.05Å; R41-I45 VanDerWaalsContact O-CG1 3.24Å; R41-I45 WeakPolarHBondContact O-CG1 3.35Å; R41-I45 PolarHBondContact O-N 3.36Å
42	A	55.9	Low	46.3	Very low	56 Å²	56	89.8 Å²	89.8	46%	0.463	46%	0.456	S	S	.	.	H	α-helix	trans	-63.5	-40.6	177.2	0	0	0	0	0	111.1	M38 R39 I45 H46	M38-A42 WeakPolarHBondContact O-CB 3.19Å; M38-A42 PolarHBondContact O-N 3.01Å; R39-A42 PolarHBondContact O-N 2.91Å; A42-I45 PolarHBondContact O-N 2.76Å; A42-H46 WeakPolarHBondContact O-CB 3.15Å; A42-H46 PolarHBondContact O-N 3.24Å
43	E	52.2	Low	47	Very low	93 Å²	93	85.4 Å²	85.4	44%	0.435	45%	0.448	S	S	.	.	H	α-helix	trans	-64.3	-46.6	174.6	-172.4	61.5	-150.2	0	0	110.7	R39 R41 I45 H46 Q47	R39-E43 WeakPolarHBondContact O-CB 3.4Å; R39-E43 PolarHBondContact O-N 3.47Å; R41-E43 VanDerWaalsContact C-N 3.32Å; E43-I45 PolarHBondContact O-N 2.77Å; E43-H46 PolarHBondContact O-N 3.44Å; E43-Q47 HydrophobicContact CG-CG 4.25Å; E43-Q47 VanDerWaalsContact O-CB 3.29Å; E43-Q47 WeakPolarHBondContact O-CB 3.21Å; E43-Q47 WeakPolarHBondContact O-CG 3.45Å; E43-Q47 PolarHBondContact O-N 3.2Å; E43-Q47 WeakPolarHBondContact OE1-CG 3.3Å; E43-Q47 PolarHBondContact OE1-NE2 2.79Å
44	F	46.7	Very low	47.4	Very low	131 Å²	131	86.5 Å²	86.5	58%	0.575	46%	0.458	S	S	*	.	H	α-helix	trans	-59.2	-47.4	174.3	174	-94.5	0	0	0	111.6	A40 R41 H46 Q47 W48	A40-F44 VanDerWaalsContact O-CB 3.3Å; A40-F44 WeakPolarHBondContact O-CB 3.5Å; A40-F44 PolarHBondContact O-N 3.45Å; R41-F44 PolarHBondContact O-N 3.1Å; F44-H46 VanDerWaalsContact C-N 3.31Å; F44-H46 PolarHBondContact O-N 3.12Å; F44-Q47 PolarHBondContact O-N 3.28Å; F44-W48 HydrophobicContact CZ-CE3 4.09Å; F44-W48 WeakPolarHBondContact O-CA 3.28Å; F44-W48 WeakPolarHBondContact O-CB 3.44Å; F44-W48 PolarHBondContact O-N 3.12Å
45	I	45.9	Very low	47.5	Very low	59 Å²	59	88.8 Å²	88.8	30%	0.303	46%	0.464	S	S	.	.	H	α-helix	trans	-63.8	-39.5	177.6	-70.1	169.3	0	0	0	110.5	R41 A42 E43 N49	R41-I45 HydrophobicContact CG-CD1 3.86Å; R41-I45 HydrophobicContact CG-CG1 4.49Å; R41-I45 WeakPolarHBondContact O-CB 3.05Å; R41-I45 VanDerWaalsContact O-CG1 3.24Å; R41-I45 WeakPolarHBondContact O-CG1 3.35Å; R41-I45 PolarHBondContact O-N 3.36Å; A42-I45 PolarHBondContact O-N 2.76Å; E43-I45 PolarHBondContact O-N 2.77Å; I45-N49 WeakPolarHBondContact CG2-ND2 3.36Å; I45-N49 WeakPolarHBondContact O-CB 3.32Å; I45-N49 PolarHBondContact O-N 2.81Å; I45-N49 PolarHBondContact O-ND2 2.76Å
46	H	54	Low	47.3	Very low	105 Å²	105	90 Å²	90	49%	0.486	47%	0.468	S	S	.	.	H	α-helix	trans	-65.2	-53.4	177.3	-179.2	69.1	0	0	0	110.9	A42 E43 F44 W48 N49 V50	A42-H46 WeakPolarHBondContact O-CB 3.15Å; A42-H46 PolarHBondContact O-N 3.24Å; E43-H46 PolarHBondContact O-N 3.44Å; F44-H46 VanDerWaalsContact C-N 3.31Å; F44-H46 PolarHBondContact O-N 3.12Å; H46-W48 VanDerWaalsContact C-N 3.32Å; H46-W48 PolarHBondContact O-N 3.02Å; H46-N49 CarbonylContact O-C 3.3Å; H46-N49 PolarHBondContact O-N 2.92Å; H46-N49 VanDerWaalsContact O-N 3.14Å; H46-V50 WeakPolarHBondContact O-CB 3.44Å; H46-V50 VanDerWaalsContact O-CG2 3.24Å; H46-V50 WeakPolarHBondContact O-CG2 3.3Å; H46-V50 PolarHBondContact O-N 2.82Å
47	Q	46.1	Very low	47.1	Very low	96 Å²	96	90.2 Å²	90.2	45%	0.449	47%	0.472	S	S	.	.	H	α-helix	trans	-59.9	-41.3	176.6	-69	-67.9	-14.3	0	0	111.8	E43 F44 S51	E43-Q47 HydrophobicContact CG-CG 4.25Å; E43-Q47 VanDerWaalsContact O-CB 3.29Å; E43-Q47 WeakPolarHBondContact O-CB 3.21Å; E43-Q47 WeakPolarHBondContact O-CG 3.45Å; E43-Q47 PolarHBondContact O-N 3.2Å; E43-Q47 WeakPolarHBondContact OE1-CG 3.3Å; E43-Q47 PolarHBondContact OE1-NE2 2.79Å; F44-Q47 PolarHBondContact O-N 3.28Å; Q47-S51 WeakPolarHBondContact O-CB 3.17Å; Q47-S51 PolarHBondContact O-N 2.77Å; Q47-S51 PolarHBondContact O-OG 2.86Å
48	W	43.9	Very low	46.9	Very low	133 Å²	133	87 Å²	87	50%	0.504	46%	0.458	S	S	.	.	H	α-helix	trans	-59.9	-52.5	172.1	-179.7	-92.6	0	0	0	110.1	F44 H46 V50 S51 M52	F44-W48 HydrophobicContact CZ-CE3 4.09Å; F44-W48 WeakPolarHBondContact O-CA 3.28Å; F44-W48 WeakPolarHBondContact O-CB 3.44Å; F44-W48 PolarHBondContact O-N 3.12Å; H46-W48 VanDerWaalsContact C-N 3.32Å; H46-W48 PolarHBondContact O-N 3.02Å; W48-V50 PolarHBondContact O-N 2.92Å; W48-S51 PolarHBondContact O-N 3.44Å; W48-M52 HydrophobicContact CD2-CG 4.23Å; W48-M52 HydrophobicContact CG-CG 4.18Å; W48-M52 HydrophobicContact CZ2-CE 4.04Å; W48-M52 HydrophobicContact CZ2-SD 4.03Å; W48-M52 VanDerWaalsContact O-CB 3.24Å; W48-M52 WeakPolarHBondContact O-CB 3.49Å; W48-M52 WeakPolarHBondContact O-CG 3.45Å; W48-M52 PolarHBondContact O-N 2.69Å
49	N	45.6	Very low	46.5	Very low	76 Å²	76	87.2 Å²	87.2	41%	0.406	46%	0.456	S	S	.	.	H	α-helix	trans	-65.3	-35.8	-179.9	-74	-23	0	0	0	113.3	I45 H46 M52 S53	I45-N49 WeakPolarHBondContact CG2-ND2 3.36Å; I45-N49 WeakPolarHBondContact O-CB 3.32Å; I45-N49 PolarHBondContact O-N 2.81Å; I45-N49 PolarHBondContact O-ND2 2.76Å; H46-N49 CarbonylContact O-C 3.3Å; H46-N49 PolarHBondContact O-N 2.92Å; H46-N49 VanDerWaalsContact O-N 3.14Å; N49-M52 CarbonylContact O-C 3.6Å; N49-M52 PolarHBondContact O-N 3.21Å; N49-S53 WeakPolarHBondContact O-CA 3.27Å; N49-S53 WeakPolarHBondContact O-CB 3.23Å; N49-S53 PolarHBondContact O-N 3.13Å; N49-S53 PolarHBondContact O-OG 2.98Å
50	V	50.5	Low	45.9	Very low	63 Å²	63	82.7 Å²	82.7	38%	0.382	45%	0.448	S	S	.	.	H	α-helix	trans	-67.8	-43.1	174.7	169.4	0	0	0	0	110.7	H46 W48 M52 S53 S54	H46-V50 WeakPolarHBondContact O-CB 3.44Å; H46-V50 VanDerWaalsContact O-CG2 3.24Å; H46-V50 WeakPolarHBondContact O-CG2 3.3Å; H46-V50 PolarHBondContact O-N 2.82Å; W48-V50 PolarHBondContact O-N 2.92Å; V50-M52 VanDerWaalsContact C-N 3.33Å; V50-S53 PolarHBondContact O-N 2.92Å; V50-S53 PolarHBondContact O-OG 2.83Å; V50-S54 WeakPolarHBondContact O-CB 3.47Å; V50-S54 PolarHBondContact O-N 3.4Å; V50-S54 PolarHBondContact O-OG 3.08Å
51	S	43.4	Very low	45.5	Very low	63 Å²	63	84.2 Å²	84.2	44%	0.441	45%	0.447	S	S	.	.	H	α-helix	trans	-64.9	-40.1	173.8	-59	0	0	0	0	110.9	Q47 W48 S54 H55	Q47-S51 WeakPolarHBondContact O-CB 3.17Å; Q47-S51 PolarHBondContact O-N 2.77Å; Q47-S51 PolarHBondContact O-OG 2.86Å; W48-S51 PolarHBondContact O-N 3.44Å; S51-S54 PolarHBondContact O-OG 3.03Å; S51-S54 VanDerWaalsContact O-OG 3.09Å; S51-H55 VanDerWaalsContact O-CB 3.25Å; S51-H55 WeakPolarHBondContact O-CB 3.43Å; S51-H55 PolarHBondContact O-N 3.38Å; S51-H55 VanDerWaalsContact O-N 3.13Å
52	M	42.6	Very low	45.4	Very low	24 Å²	24	81.6 Å²	81.6	12%	0.118	44%	0.44	C	S	.	.	H	α-helix	trans	-75.7	-27.9	179.4	-63.4	-74	-79.9	0	0	112.5	W48 N49 V50 A58 K59 K62	W48-M52 HydrophobicContact CD2-CG 4.23Å; W48-M52 HydrophobicContact CG-CG 4.18Å; W48-M52 HydrophobicContact CZ2-CE 4.04Å; W48-M52 HydrophobicContact CZ2-SD 4.03Å; W48-M52 VanDerWaalsContact O-CB 3.24Å; W48-M52 WeakPolarHBondContact O-CB 3.49Å; W48-M52 WeakPolarHBondContact O-CG 3.45Å; W48-M52 PolarHBondContact O-N 2.69Å; N49-M52 CarbonylContact O-C 3.6Å; N49-M52 PolarHBondContact O-N 3.21Å; V50-M52 VanDerWaalsContact C-N 3.33Å; M52-A58 HydrophobicContact CE-CB 4.23Å; M52-A58 WeakPolarHBondContact CE-O 3.38Å; M52-A58 HydrophobicContact SD-CB 3.34Å; M52-A58 WeakPolarHBondContact SD-CB 3.14Å; M52-K59 WeakPolarHBondContact O-CE 3.45Å; M52-K59 WeakPolarHBondContact O-CG 3.29Å; M52-K62 HydrophobicContact CE-CB 3.62Å; M52-K62 HydrophobicContact CE-CD 4.15Å; M52-K62 HydrophobicContact CE-CG 4.3Å
53	S	47.7	Very low	44.8	Very low	68 Å²	68	82.3 Å²	82.3	48%	0.476	44%	0.441	S	S	.	.	H	α-helix	trans	-77.5	-31.2	179.1	69.2	0	0	0	0	112.3	N49 V50 K59	N49-S53 WeakPolarHBondContact O-CA 3.27Å; N49-S53 WeakPolarHBondContact O-CB 3.23Å; N49-S53 PolarHBondContact O-N 3.13Å; N49-S53 PolarHBondContact O-OG 2.98Å; V50-S53 PolarHBondContact O-N 2.92Å; V50-S53 PolarHBondContact O-OG 2.83Å; S53-K59 VanDerWaalsContact CA-CE 3.49Å; S53-K59 WeakPolarHBondContact O-CE 3.43Å; S53-K59 PolarHBondContact O-NZ 2.67Å
54	S	49.1	Very low	44	Very low	91 Å²	91	80.6 Å²	80.6	64%	0.636	44%	0.435	S	S	*	.	H	α-helix	trans	-83.8	-31.6	177.8	53.6	0	0	0	0	113.1	V50 S51	V50-S54 WeakPolarHBondContact O-CB 3.47Å; V50-S54 PolarHBondContact O-N 3.4Å; V50-S54 PolarHBondContact O-OG 3.08Å; S51-S54 PolarHBondContact O-OG 3.03Å; S51-S54 VanDerWaalsContact O-OG 3.09Å
55	H	42	Very low	43.5	Very low	112 Å²	112	79.4 Å²	79.4	52%	0.519	43%	0.431	S	S	.	.			trans	-96.8	104.7	-174.4	-132.1	-78.6	0	0	0	111.8	S51 V57 A58 K59	S51-H55 VanDerWaalsContact O-CB 3.25Å; S51-H55 WeakPolarHBondContact O-CB 3.43Å; S51-H55 PolarHBondContact O-N 3.38Å; S51-H55 VanDerWaalsContact O-N 3.13Å; H55-V57 PolarHBondContact O-N 3.4Å; H55-A58 HydrophobicContact CB-CB 3.86Å; H55-A58 PolarHBondContact O-N 3.01Å; H55-K59 PolarHBondContact O-N 2.95Å
56	S	44.4	Very low	43.1	Very low	93 Å²	93	85 Å²	85	65%	0.65	45%	0.45	S	S	*	.	H	α-helix	trans	-53	-39.7	178.9	55.7	0	0	0	0	113	A58 K59 S60	S56-A58 VanDerWaalsContact C-N 3.33Å; S56-A58 PolarHBondContact O-N 2.96Å; S56-K59 PolarHBondContact O-N 3.29Å; S56-S60 PolarHBondContact O-N 2.94Å
57	V	38.5	Very low	42.2	Very low	83 Å²	83	86.2 Å²	86.2	50%	0.503	45%	0.454	S	S	.	.	H	α-helix	trans	-62	-40.7	175.8	178.8	0	0	0	0	111.4	H55 S60 I61	H55-V57 PolarHBondContact O-N 3.4Å; V57-S60 WeakPolarHBondContact O-CB 3.27Å; V57-S60 PolarHBondContact O-N 3.43Å; V57-I61 HydrophobicContact CG1-CD1 3.8Å; V57-I61 HydrophobicContact CG1-CG1 4.39Å; V57-I61 WeakPolarHBondContact O-CG1 3.33Å; V57-I61 PolarHBondContact O-N 2.93Å
58	A	37.9	Very low	41.5	Very low	17 Å²	17	88.8 Å²	88.8	14%	0.14	46%	0.46	C	S	.	.	H	α-helix	trans	-76.2	-31.1	-177.4	0	0	0	0	0	111.9	M52 H55 S56 I61 K62	M52-A58 HydrophobicContact CE-CB 4.23Å; M52-A58 WeakPolarHBondContact CE-O 3.38Å; M52-A58 HydrophobicContact SD-CB 3.34Å; M52-A58 WeakPolarHBondContact SD-CB 3.14Å; H55-A58 HydrophobicContact CB-CB 3.86Å; H55-A58 PolarHBondContact O-N 3.01Å; S56-A58 VanDerWaalsContact C-N 3.33Å; S56-A58 PolarHBondContact O-N 2.96Å; A58-I61 PolarHBondContact O-N 3.22Å; A58-K62 WeakPolarHBondContact O-CB 3.48Å; A58-K62 PolarHBondContact O-N 3.23Å
59	K	44.8	Very low	40.8	Very low	116 Å²	116	86 Å²	86	50%	0.504	46%	0.459	S	S	.	.	H	α-helix	trans	-60.5	-45.8	164.7	-67.4	-171.7	178	164.4	0	112	M52 S53 H55 S56 K62 S63	M52-K59 WeakPolarHBondContact O-CE 3.45Å; M52-K59 WeakPolarHBondContact O-CG 3.29Å; S53-K59 VanDerWaalsContact CA-CE 3.49Å; S53-K59 WeakPolarHBondContact O-CE 3.43Å; S53-K59 PolarHBondContact O-NZ 2.67Å; H55-K59 PolarHBondContact O-N 2.95Å; S56-K59 PolarHBondContact O-N 3.29Å; K59-K62 PolarHBondContact O-N 2.69Å; K59-S63 WeakPolarHBondContact O-CB 3.3Å; K59-S63 PolarHBondContact O-N 3.28Å
60	S	41.2	Very low	39.9	Very low	60 Å²	60	84.2 Å²	84.2	42%	0.42	45%	0.452	S	S	.	.	H	α-helix	trans	-59.4	-52.2	175.7	-161.4	0	0	0	0	109.6	S56 V57 K62 S63 D64	S56-S60 PolarHBondContact O-N 2.94Å; V57-S60 WeakPolarHBondContact O-CB 3.27Å; V57-S60 PolarHBondContact O-N 3.43Å; S60-K62 VanDerWaalsContact C-N 3.29Å; S60-K62 PolarHBondContact O-N 3.02Å; S60-S63 CarbonylContact O-C 3.58Å; S60-S63 WeakPolarHBondContact O-CB 3.38Å; S60-S63 PolarHBondContact O-N 3.12Å; S60-D64 VanDerWaalsContact C-OD2 3.26Å; S60-D64 WeakPolarHBondContact O-CB 3.31Å; S60-D64 PolarHBondContact O-N 3.46Å; S60-D64 PolarHBondContact OG-OD2 2.78Å
61	I	39.4	Very low	38.8	Very low	88 Å²	88	84.9 Å²	84.9	45%	0.451	45%	0.453	S	S	.	.	H	α-helix	trans	-55.7	-40.8	179	-68	163.9	0	0	0	111.9	V57 A58 H65	V57-I61 HydrophobicContact CG1-CD1 3.8Å; V57-I61 HydrophobicContact CG1-CG1 4.39Å; V57-I61 WeakPolarHBondContact O-CG1 3.33Å; V57-I61 PolarHBondContact O-N 2.93Å; A58-I61 PolarHBondContact O-N 3.22Å; I61-H65 VanDerWaalsContact O-CB 3.27Å; I61-H65 WeakPolarHBondContact O-CB 3.47Å; I61-H65 PolarHBondContact O-N 3.43Å
62	K	42	Very low	38.1	Very low	87 Å²	87	85.9 Å²	85.9	38%	0.378	46%	0.457	S	S	.	.	H	α-helix	trans	-67.5	-45.7	175.5	-175.4	-179.5	177.6	-175.2	0	112.2	M52 A58 K59 S60 D64 H65 Y66	M52-K62 HydrophobicContact CE-CB 3.62Å; M52-K62 HydrophobicContact CE-CD 4.15Å; M52-K62 HydrophobicContact CE-CG 4.3Å; A58-K62 WeakPolarHBondContact O-CB 3.48Å; A58-K62 PolarHBondContact O-N 3.23Å; K59-K62 PolarHBondContact O-N 2.69Å; S60-K62 VanDerWaalsContact C-N 3.29Å; S60-K62 PolarHBondContact O-N 3.02Å; K62-D64 VanDerWaalsContact C-N 3.3Å; K62-H65 PolarHBondContact O-N 3.3Å; K62-Y66 PolarHBondContact O-N 2.9Å; K62-Y66 VanDerWaalsContact O-N 3.13Å
63	S	42.8	Very low	37.2	Very low	70 Å²	70	87.6 Å²	87.6	49%	0.49	47%	0.468	S	S	.	.	H	α-helix	trans	-61	-43.8	176.1	-170	0	0	0	0	110.5	K59 S60 Y66 K67	K59-S63 WeakPolarHBondContact O-CB 3.3Å; K59-S63 PolarHBondContact O-N 3.28Å; S60-S63 CarbonylContact O-C 3.58Å; S60-S63 WeakPolarHBondContact O-CB 3.38Å; S60-S63 PolarHBondContact O-N 3.12Å; S63-Y66 CarbonylContact O-C 3.6Å; S63-Y66 WeakPolarHBondContact O-CB 3.33Å; S63-Y66 PolarHBondContact O-N 2.62Å; S63-K67 WeakPolarHBondContact O-CB 3.5Å; S63-K67 PolarHBondContact O-N 2.9Å
64	D	36	Very low	36.2	Very low	58 Å²	58	89.5 Å²	89.5	31%	0.31	47%	0.471	S	S	.	.	H	α-helix	trans	-70.1	-33.8	178.7	-64.1	-32.2	0	0	0	111.3	S60 K62 Y66 K67 Y68	S60-D64 VanDerWaalsContact C-OD2 3.26Å; S60-D64 WeakPolarHBondContact O-CB 3.31Å; S60-D64 PolarHBondContact O-N 3.46Å; S60-D64 PolarHBondContact OG-OD2 2.78Å; K62-D64 VanDerWaalsContact C-N 3.3Å; D64-Y66 VanDerWaalsContact C-N 3.29Å; D64-Y66 PolarHBondContact O-N 2.8Å; D64-K67 PolarHBondContact O-N 3.16Å; D64-Y68 HydrophobicContact CB-CD2 4.08Å; D64-Y68 CarbonylContact O-C 3.46Å; D64-Y68 VanDerWaalsContact O-CA 3.26Å; D64-Y68 WeakPolarHBondContact O-CA 3.4Å; D64-Y68 WeakPolarHBondContact O-CB 3.5Å; D64-Y68 PolarHBondContact O-N 3.09Å
65	H	36.7	Very low	35.1	Very low	106 Å²	106	95.3 Å²	95.3	49%	0.491	48%	0.479	S	S	.	.	H	α-helix	trans	-64	-35.5	171.2	-124.6	73.6	0	0	0	112.1	I61 K62 P69	I61-H65 VanDerWaalsContact O-CB 3.27Å; I61-H65 WeakPolarHBondContact O-CB 3.47Å; I61-H65 PolarHBondContact O-N 3.43Å; K62-H65 PolarHBondContact O-N 3.3Å; H65-P69 VanDerWaalsContact O-CA 3.23Å; H65-P69 WeakPolarHBondContact O-CA 3.5Å
66	Y	37.7	Very low	34.8	Very low	176 Å²	176	97.9 Å²	97.9	69%	0.69	50%	0.497	S	S	*	.	H	α-helix	trans	-77.7	-33.5	174.6	-97.5	-86.3	0	0	0	112.3	K62 S63 D64	K62-Y66 PolarHBondContact O-N 2.9Å; K62-Y66 VanDerWaalsContact O-N 3.13Å; S63-Y66 CarbonylContact O-C 3.6Å; S63-Y66 WeakPolarHBondContact O-CB 3.33Å; S63-Y66 PolarHBondContact O-N 2.62Å; D64-Y66 VanDerWaalsContact C-N 3.29Å; D64-Y66 PolarHBondContact O-N 2.8Å
67	K	33.6	Very low	34.3	Very low	131 Å²	131	102.6 Å²	102.6	57%	0.57	51%	0.506	S	S	*	.	H	α-helix	trans	-87.6	-29	-174.8	-158.2	174.7	-174.3	-174.9	0	113.1	S63 D64	S63-K67 WeakPolarHBondContact O-CB 3.5Å; S63-K67 PolarHBondContact O-N 2.9Å; D64-K67 PolarHBondContact O-N 3.16Å
68	Y	31.4	Very low	34	Very low	149 Å²	149	102.8 Å²	102.8	58%	0.584	50%	0.504	S	S	*	.	S	Bend	trans	-137.5	65.7	-177.8	-48.6	-72.1	0	0	0	108.9	D64	D64-Y68 HydrophobicContact CB-CD2 4.08Å; D64-Y68 CarbonylContact O-C 3.46Å; D64-Y68 VanDerWaalsContact O-CA 3.26Å; D64-Y68 WeakPolarHBondContact O-CA 3.4Å; D64-Y68 WeakPolarHBondContact O-CB 3.5Å; D64-Y68 PolarHBondContact O-N 3.09Å
69	P	28.7	Very low	33.7	Very low	74 Å²	74	107.3 Å²	107.3	48%	0.481	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-57.5	134.6	-176	23	-32.9	0	0	0	110.4	H65 N71	H65-P69 VanDerWaalsContact O-CA 3.23Å; H65-P69 WeakPolarHBondContact O-CA 3.5Å; P69-N71 PolarHBondContact O-N 3.31Å
70	P	28	Very low	33.1	Very low	40 Å²	40	106 Å²	106	26%	0.26	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-55.7	124.6	-178.6	21.1	-31.9	0	0	0	110.3	V72 Y80	P70-V72 WeakPolarHBondContact O-CG2 3.29Å; P70-V72 PolarHBondContact O-N 3.02Å; P70-Y80 HydrophobicContact CB-CE2 4.09Å; P70-Y80 WeakPolarHBondContact CB-OH 3.38Å
71	N	27.9	Very low	33.1	Very low	76 Å²	76	104.9 Å²	104.9	41%	0.406	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-55.9	126.9	174.6	-76.4	-3.6	0	0	0	105.7	P69 Y80 P81 F82	P69-N71 PolarHBondContact O-N 3.31Å; N71-Y80 WeakPolarHBondContact O-CE2 3.48Å; N71-P81 HydrophobicContact CB-CB 3.94Å; N71-P81 HydrophobicContact CB-CG 3.45Å; N71-P81 VanDerWaalsContact CB-CG 3.45Å; N71-P81 WeakPolarHBondContact O-CD 3.14Å; N71-P81 WeakPolarHBondContact O-CG 3.24Å; N71-F82 HydrophobicContact CB-CB 4.46Å; N71-F82 HydrophobicContact CB-CD1 3.64Å; N71-F82 HydrophobicContact CB-CD2 3.32Å; N71-F82 HydrophobicContact CB-CE1 3.68Å; N71-F82 HydrophobicContact CB-CE2 3.37Å; N71-F82 HydrophobicContact CB-CG 3.47Å; N71-F82 VanDerWaalsContact CB-CG 3.47Å; N71-F82 HydrophobicContact CB-CZ 3.5Å; N71-F82 VanDerWaalsContact CG-CD1 3.41Å; N71-F82 WeakPolarHBondContact ND2-CD1 3.23Å; N71-F82 WeakPolarHBondContact ND2-CE1 3.09Å; N71-F82 WeakPolarHBondContact ND2-CZ 3.29Å; N71-F82 WeakPolarHBondContact OD1-CE1 3.12Å; N71-F82 WeakPolarHBondContact OD1-CE2 3.48Å; N71-F82 WeakPolarHBondContact OD1-CZ 3.37Å
72	V	27.9	Very low	32.9	Very low	85 Å²	85	103.5 Å²	103.5	52%	0.515	50%	0.497	S	S	.	.			trans	-125.2	125.9	172.7	178.9	0	0	0	0	106.8	P70 M74 P81	P70-V72 WeakPolarHBondContact O-CG2 3.29Å; P70-V72 PolarHBondContact O-N 3.02Å; V72-M74 HydrophobicContact CG1-CG 3.78Å; V72-P81 VanDerWaalsContact C-CD 3.46Å; V72-P81 VanDerWaalsContact CA-CD 3.4Å; V72-P81 VanDerWaalsContact N-CG 3.28Å
73	T	23	Very low	32.8	Very low	59 Å²	59	103 Å²	103	36%	0.362	50%	0.496	S	S	.	.			trans	-112.3	130.7	166.1	15.5	0	0	0	0	103	L78 E79 P81	T73-L78 VanDerWaalsContact CB-CD1 3.44Å; T73-L78 HydrophobicContact CG2-CD1 3.74Å; T73-L78 WeakPolarHBondContact O-CB 3.14Å; T73-E79 PolarHBondContact OG1-O 2.97Å; T73-E79 VanDerWaalsContact OG1-O 3.08Å; T73-P81 HydrophobicContact CG2-CB 4.32Å; T73-P81 HydrophobicContact CG2-CG 4.4Å; T73-P81 WeakPolarHBondContact OG1-CB 3.25Å; T73-P81 WeakPolarHBondContact OG1-CD 3.24Å; T73-P81 WeakPolarHBondContact OG1-CG 3.19Å
74	M	27	Very low	32.9	Very low	109 Å²	109	105.8 Å²	105.8	54%	0.537	51%	0.505	S	S	.	.			trans	-118.6	137.8	178.3	-53.7	-170.9	-64.1	0	0	110.5	V72 L78 K243	V72-M74 HydrophobicContact CG1-CG 3.78Å; M74-L78 WeakPolarHBondContact O-CD1 3.04Å; M74-K243 PolarHBondContact SD-NZ 3.2Å; M74-K243 VanDerWaalsContact SD-NZ 3.39Å
75	R	25.8	Very low	33	Very low	212 Å²	212	107 Å²	107	80%	0.8	51%	0.512	S	S	*	.	S	Bend	trans	157.7	147.4	156.6	-90.9	158.9	-170.8	-149.1	3.3	106.4	F77 L78	R75-F77 CarbonylContact O-C 3.16Å; R75-F77 WeakPolarHBondContact O-CA 2.96Å; R75-F77 PolarHBondContact O-N 2.96Å; R75-L78 HydrophobicContact CB-CD1 3.98Å; R75-L78 HydrophobicContact CB-CG 4.16Å; R75-L78 WeakPolarHBondContact O-CG 3.24Å; R75-L78 PolarHBondContact O-N 3.23Å
76	N	36.7	Very low	33	Very low	166 Å²	166	103.1 Å²	103.1	89%	0.888	50%	0.498	S	S	*	.	S	Bend	trans	-11.9	85.6	162.2	-62.7	-15	0	0	0	116.5
77	F	33.8	Very low	33	Very low	192 Å²	192	100.3 Å²	100.3	84%	0.842	50%	0.504	S	S	*	.	S	Bend	cis	-115.5	122.5	-21.7	-52	-98.2	0	0	0	104.8	R75	R75-F77 CarbonylContact O-C 3.16Å; R75-F77 WeakPolarHBondContact O-CA 2.96Å; R75-F77 PolarHBondContact O-N 2.96Å
78	L	31.7	Very low	33.2	Very low	87 Å²	87	102.3 Å²	102.3	46%	0.455	52%	0.515	S	S	.	.			trans	-99	118.1	-172.2	-83.2	-178.1	0	0	0	109.7	T73 M74 R75	T73-L78 VanDerWaalsContact CB-CD1 3.44Å; T73-L78 HydrophobicContact CG2-CD1 3.74Å; T73-L78 WeakPolarHBondContact O-CB 3.14Å; M74-L78 WeakPolarHBondContact O-CD1 3.04Å; R75-L78 HydrophobicContact CB-CD1 3.98Å; R75-L78 HydrophobicContact CB-CG 4.16Å; R75-L78 WeakPolarHBondContact O-CG 3.24Å; R75-L78 PolarHBondContact O-N 3.23Å
79	E	31.3	Very low	33.5	Very low	113 Å²	113	99.7 Å²	99.7	53%	0.528	51%	0.514	S	S	.	.			trans	-52.2	144	167	-166.6	160.7	-151.5	0	0	109.7	T73 P81 H83	T73-E79 PolarHBondContact OG1-O 2.97Å; T73-E79 VanDerWaalsContact OG1-O 3.08Å; E79-P81 WeakPolarHBondContact O-CD 3.4Å; E79-H83 HydrophobicContact CG-CB 4.28Å; E79-H83 IonicContact OE1-CD2 3.34Å; E79-H83 PolarHBondContact OE1-CD2 2.74Å; E79-H83 IonicContact OE1-CG 3.95Å; E79-H83 IonicContact OE1-NE2 3.8Å; E79-H83 IonicContact OE2-CD2 3.98Å; E79-H83 IonicContact OE2-NE2 3.7Å
80	Y	33.1	Very low	33.8	Very low	87 Å²	87	99 Å²	99	34%	0.341	50%	0.504	S	S	.	.			trans	-55.9	110.3	175.5	-179.2	-107.6	0	0	0	108.8	P70 N71 F82 H83	P70-Y80 HydrophobicContact CB-CE2 4.09Å; P70-Y80 WeakPolarHBondContact CB-OH 3.38Å; N71-Y80 WeakPolarHBondContact O-CE2 3.48Å; Y80-F82 HydrophobicContact CD1-CB 4.12Å; Y80-F82 HydrophobicContact CE1-CB 3.68Å; Y80-F82 PolarHBondContact O-N 3.43Å; Y80-H83 VanDerWaalsContact O-CB 3.29Å; Y80-H83 WeakPolarHBondContact O-CB 3.33Å; Y80-H83 PolarHBondContact O-N 3.31Å
81	P	39.9	Very low	34	Very low	37 Å²	37	101.5 Å²	101.5	24%	0.24	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	12.9	-169	24.3	-34.4	0	0	0	115.9	N71 V72 T73 E79	N71-P81 HydrophobicContact CB-CB 3.94Å; N71-P81 HydrophobicContact CB-CG 3.45Å; N71-P81 VanDerWaalsContact CB-CG 3.45Å; N71-P81 WeakPolarHBondContact O-CD 3.14Å; N71-P81 WeakPolarHBondContact O-CG 3.24Å; V72-P81 VanDerWaalsContact C-CD 3.46Å; V72-P81 VanDerWaalsContact CA-CD 3.4Å; V72-P81 VanDerWaalsContact N-CG 3.28Å; T73-P81 HydrophobicContact CG2-CB 4.32Å; T73-P81 HydrophobicContact CG2-CG 4.4Å; T73-P81 WeakPolarHBondContact OG1-CB 3.25Å; T73-P81 WeakPolarHBondContact OG1-CD 3.24Å; T73-P81 WeakPolarHBondContact OG1-CG 3.19Å; E79-P81 WeakPolarHBondContact O-CD 3.4Å
82	F	37	Very low	34.4	Very low	59 Å²	59	105.4 Å²	105.4	26%	0.259	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	12.8	162.9	-76.8	-43.9	0	0	0	112.4	N71 Y80 D84 N85 A86	N71-F82 HydrophobicContact CB-CB 4.46Å; N71-F82 HydrophobicContact CB-CD1 3.64Å; N71-F82 HydrophobicContact CB-CD2 3.32Å; N71-F82 HydrophobicContact CB-CE1 3.68Å; N71-F82 HydrophobicContact CB-CE2 3.37Å; N71-F82 HydrophobicContact CB-CG 3.47Å; N71-F82 VanDerWaalsContact CB-CG 3.47Å; N71-F82 HydrophobicContact CB-CZ 3.5Å; N71-F82 VanDerWaalsContact CG-CD1 3.41Å; N71-F82 WeakPolarHBondContact ND2-CD1 3.23Å; N71-F82 WeakPolarHBondContact ND2-CE1 3.09Å; N71-F82 WeakPolarHBondContact ND2-CZ 3.29Å; N71-F82 WeakPolarHBondContact OD1-CE1 3.12Å; N71-F82 WeakPolarHBondContact OD1-CE2 3.48Å; N71-F82 WeakPolarHBondContact OD1-CZ 3.37Å; Y80-F82 HydrophobicContact CD1-CB 4.12Å; Y80-F82 HydrophobicContact CE1-CB 3.68Å; Y80-F82 PolarHBondContact O-N 3.43Å; F82-D84 VanDerWaalsContact C-N 3.28Å; F82-D84 PolarHBondContact O-N 3.34Å; F82-N85 PolarHBondContact O-N 3.34Å; F82-A86 PolarHBondContact O-N 3.21Å; F82-A86 VanDerWaalsContact O-N 3.14Å
83	H	40.2	Very low	34.4	Very low	78 Å²	78	105.5 Å²	105.5	36%	0.361	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-40.8	-177.5	80.7	-60.1	0	0	0	112.6	E79 Y80 N85 A86	E79-H83 HydrophobicContact CG-CB 4.28Å; E79-H83 IonicContact OE1-CD2 3.34Å; E79-H83 PolarHBondContact OE1-CD2 2.74Å; E79-H83 IonicContact OE1-CG 3.95Å; E79-H83 IonicContact OE1-NE2 3.8Å; E79-H83 IonicContact OE2-CD2 3.98Å; E79-H83 IonicContact OE2-NE2 3.7Å; Y80-H83 VanDerWaalsContact O-CB 3.29Å; Y80-H83 WeakPolarHBondContact O-CB 3.33Å; Y80-H83 PolarHBondContact O-N 3.31Å; H83-N85 PolarHBondContact O-N 3.05Å; H83-A86 WeakPolarHBondContact O-CB 3.37Å; H83-A86 PolarHBondContact O-N 3.3Å
84	D	44.7	Very low	34.5	Very low	127 Å²	127	113.2 Å²	113.2	68%	0.679	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-32.6	-178.4	-67.3	-44.2	0	0	0	114.1	F82	F82-D84 VanDerWaalsContact C-N 3.28Å; F82-D84 PolarHBondContact O-N 3.34Å
85	N	36.8	Very low	34.6	Very low	85 Å²	85	113.4 Å²	113.4	46%	0.455	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.2	2.2	-178.1	-64.9	-17.7	0	0	0	112.8	F82 H83 S87 E88 V89	F82-N85 PolarHBondContact O-N 3.34Å; H83-N85 PolarHBondContact O-N 3.05Å; N85-S87 PolarHBondContact O-N 3.12Å; N85-S87 VanDerWaalsContact O-N 3.14Å; N85-E88 PolarHBondContact O-N 3.3Å; N85-V89 HydrophobicContact CB-CG2 4.18Å; N85-V89 WeakPolarHBondContact O-CG2 3.48Å; N85-V89 PolarHBondContact O-N 3.36Å
86	A	37.5	Very low	34.6	Very low	24 Å²	24	109.7 Å²	109.7	20%	0.198	56%	0.562	C	S	.	*	H	α-helix	trans	-59.4	-31.4	-173.2	0	0	0	0	0	112.9	F82 H83 F90	F82-A86 PolarHBondContact O-N 3.21Å; F82-A86 VanDerWaalsContact O-N 3.14Å; H83-A86 WeakPolarHBondContact O-CB 3.37Å; H83-A86 PolarHBondContact O-N 3.3Å; A86-F90 HydrophobicContact CB-CD2 4.03Å; A86-F90 HydrophobicContact CB-CE2 4.46Å; A86-F90 WeakPolarHBondContact O-CB 3Å; A86-F90 WeakPolarHBondContact O-CD2 3.22Å; A86-F90 PolarHBondContact O-N 3.45Å
87	S	36.4	Very low	34	Very low	117 Å²	117	110.9 Å²	110.9	82%	0.818	56%	0.559	S	S	*	*	H	α-helix	trans	-73.9	-29.8	178.1	-60.3	0	0	0	0	113.5	N85	N85-S87 PolarHBondContact O-N 3.12Å; N85-S87 VanDerWaalsContact O-N 3.14Å
88	E	39.6	Very low	33.7	Very low	173 Å²	173	109.2 Å²	109.2	81%	0.808	56%	0.559	S	S	*	*	H	α-helix	trans	-85.3	-27.6	177.6	-67.7	-171.9	171	0	0	112	N85	N85-E88 PolarHBondContact O-N 3.3Å
89	V	36.8	Very low	33.3	Very low	93 Å²	93	112.2 Å²	112.2	56%	0.564	57%	0.574	S	S	*	*	H	α-helix	trans	-99.2	-26.5	-173.2	-177.4	0	0	0	0	113.2	N85 P91	N85-V89 HydrophobicContact CB-CG2 4.18Å; N85-V89 WeakPolarHBondContact O-CG2 3.48Å; N85-V89 PolarHBondContact O-N 3.36Å; V89-P91 VanDerWaalsContact O-CD 3.29Å; V89-P91 WeakPolarHBondContact O-CD 3.43Å
90	F	35.6	Very low	32.9	Very low	61 Å²	61	113.6 Å²	113.6	27%	0.268	59%	0.585	S	S	.	*			trans	-120.4	75.3	-178	-53.7	-72.5	0	0	0	112.3	A86 F92 L93	A86-F90 HydrophobicContact CB-CD2 4.03Å; A86-F90 HydrophobicContact CB-CE2 4.46Å; A86-F90 WeakPolarHBondContact O-CB 3Å; A86-F90 WeakPolarHBondContact O-CD2 3.22Å; A86-F90 PolarHBondContact O-N 3.45Å; F90-F92 HydrophobicContact CB-CE1 4.46Å; F90-F92 HydrophobicContact CD1-CE1 4.33Å; F90-F92 PolarHBondContact O-N 3.45Å; F90-L93 HydrophobicContact CB-CB 4.36Å; F90-L93 HydrophobicContact CB-CD1 3.8Å; F90-L93 HydrophobicContact CB-CG 4.03Å; F90-L93 HydrophobicContact CD2-CD1 4.35Å; F90-L93 HydrophobicContact CG-CD1 4.18Å; F90-L93 PolarHBondContact O-N 2.91Å
91	P	32.3	Very low	32.6	Very low	91 Å²	91	116.2 Å²	116.2	59%	0.591	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-62.4	-13.2	-175.7	20.8	-30.6	0	0	0	114.9	V89	V89-P91 VanDerWaalsContact O-CD 3.29Å; V89-P91 WeakPolarHBondContact O-CD 3.43Å
92	F	35.6	Very low	31.8	Very low	159 Å²	159	120.4 Å²	120.4	70%	0.697	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-87.4	-7.7	175.8	68	-92.3	0	0	0	114.3	F90 R94	F90-F92 HydrophobicContact CB-CE1 4.46Å; F90-F92 HydrophobicContact CD1-CE1 4.33Å; F90-F92 PolarHBondContact O-N 3.45Å; F92-R94 PolarHBondContact O-N 3.09Å
93	L	28	Very low	31.2	Very low	87 Å²	87	125.5 Å²	125.5	46%	0.455	66%	0.66	S	S	.	*	G	3₁₀ helix	trans	-84.5	12.4	174.3	-69.9	179.1	0	0	0	113.4	F90 T95	F90-L93 HydrophobicContact CB-CB 4.36Å; F90-L93 HydrophobicContact CB-CD1 3.8Å; F90-L93 HydrophobicContact CB-CG 4.03Å; F90-L93 HydrophobicContact CD2-CD1 4.35Å; F90-L93 HydrophobicContact CG-CD1 4.18Å; F90-L93 PolarHBondContact O-N 2.91Å; L93-T95 VanDerWaalsContact C-N 3.29Å; L93-T95 PolarHBondContact O-N 2.8Å
94	R	24.7	Very low	30.5	Very low	220 Å²	220	128.9 Å²	128.9	83%	0.83	69%	0.686	S	S	*	*			trans	-59.5	91.6	169	-75.6	-173.6	-177.7	178.9	2.6	110.2	F92	F92-R94 PolarHBondContact O-N 3.09Å
95	T	29.8	Very low	29.4	Very low	113 Å²	113	131.7 Å²	131.7	69%	0.693	69%	0.692	S	S	*	*			trans	-88.3	115.5	144.2	40.7	0	0	0	0	106.3	L93 K97	L93-T95 VanDerWaalsContact C-N 3.29Å; L93-T95 PolarHBondContact O-N 2.8Å; T95-K97 PolarHBondContact O-N 3.29Å
96	T	24.8	Very low	29	Very low	134 Å²	134	133.6 Å²	133.6	82%	0.822	71%	0.711	S	S	*	*			trans	-51.4	108.3	177.1	35.8	0	0	0	0	110.7
97	K	25.5	Very low	28.3	Very low	192 Å²	192	141.5 Å²	141.5	84%	0.835	74%	0.744	S	S	*	*			trans	-176.3	127.8	136.6	-101	161.8	-175.2	-175.8	0	112.8	T95	T95-K97 PolarHBondContact O-N 3.29Å
98	N	26.2	Very low	27.9	Very low	156 Å²	156	142.3 Å²	142.3	83%	0.834	74%	0.744	S	S	*	*			trans	85	92.8	153.4	-63.5	-8.5	0	0	0	119.9
99	I	23.8	Very low	27.2	Very low	151 Å²	151	140.7 Å²	140.7	77%	0.774	75%	0.746	S	S	*	*			trans	-54.5	145.5	157.1	-60.4	159.7	0	0	0	112.2
100	N	23.3	Very low	26.6	Very low	142 Å²	142	145.2 Å²	145.2	76%	0.759	76%	0.761	S	S	*	*			trans	82	102.9	161.5	-65.3	-18.8	0	0	0	119.1
101	T	25.3	Very low	26.1	Very low	141 Å²	141	151.2 Å²	151.2	87%	0.865	79%	0.79	S	S	*	*				-166.8	111.8	108.8	14.1	0	0	0	0	113.5
102	T	23.7	Very low	25.7	Very low	125 Å²	125	152.5 Å²	152.5	77%	0.767	80%	0.801	S	S	*	*			trans	26.6	107.1	139.2	-26.4	0	0	0	0	122.7
103	Q	25.1	Very low	25.1	Very low	166 Å²	166	152.6 Å²	152.6	78%	0.776	81%	0.808	S	S	*	*			trans	15.5	128.5	133.2	-59.5	-176	-5	0	0	120.9
104	V	25.4	Very low	24.9	Very low	150 Å²	150	158.4 Å²	158.4	91%	0.909	83%	0.829	S	S	*	*			trans	-144.5	133.5	133.6	-177.9	0	0	0	0	110.2
105	K	22.2	Very low	25	Very low	186 Å²	186	159 Å²	159	81%	0.809	83%	0.831	S	S	*	*			trans	-80.2	142.7	-178.9	-67	168.3	174.3	174	0	111.7
106	S	26.5	Very low	24.7	Very low	124 Å²	124	162.3 Å²	162.3	87%	0.867	84%	0.839	S	S	*	*			trans	-146.9	130.6	156.8	-129	0	0	0	0	112
107	Q	24	Very low	24.9	Very low	190 Å²	190	163.7 Å²	163.7	89%	0.888	83%	0.834	S	S	*	*			trans	-91.4	123.7	-179.2	-72.4	170.8	-27.8	0	0	109.3
108	V	27.7	Very low	25	Very low	135 Å²	135	161.2 Å²	161.2	82%	0.818	83%	0.828	S	S	*	*			trans	-132.5	127.5	163.9	-177.8	0	0	0	0	108.8	E110	V108-E110 PolarHBondContact O-N 2.85Å
109	V	24.2	Very low	25	Very low	139 Å²	139	160.7 Å²	160.7	84%	0.842	82%	0.821	S	S	*	*			trans	-77.3	110.3	-174.3	175.9	0	0	0	0	109.4
110	E	25.4	Very low	25.4	Very low	188 Å²	188	158.3 Å²	158.3	88%	0.879	81%	0.809	S	S	*	*			trans	-77.5	119.6	175.9	-87.4	-177.2	149.1	0	0	111.6	V108 S112	V108-E110 PolarHBondContact O-N 2.85Å; E110-S112 PolarHBondContact O-N 3.03Å
111	Q	24.3	Very low	25.9	Very low	187 Å²	187	160.1 Å²	160.1	87%	0.874	81%	0.812	S	S	*	*			trans	-75.2	120.8	168.8	-80	179	-13.8	0	0	110.6	L113	Q111-L113 PolarHBondContact O-N 3.43Å
112	S	23.4	Very low	26.6	Very low	117 Å²	117	156.6 Å²	156.6	82%	0.818	79%	0.791	S	S	*	*			trans	-69.6	99.3	-175.1	46.9	0	0	0	0	113.7	E110 K114	E110-S112 PolarHBondContact O-N 3.03Å; S112-K114 PolarHBondContact O-N 3.19Å
113	L	24.4	Very low	27.4	Very low	161 Å²	161	158 Å²	158	84%	0.843	79%	0.793	S	S	*	*			trans	-77.3	113.4	161.1	-88.8	151.6	0	0	0	109.3	Q111 R115	Q111-L113 PolarHBondContact O-N 3.43Å; L113-R115 PolarHBondContact O-N 3.41Å
114	K	24	Very low	28	Very low	210 Å²	210	157.4 Å²	157.4	91%	0.913	80%	0.795	S	S	*	*			trans	-61.6	90.3	175.2	-74.5	-177.4	177	178.7	0	110.4	S112 Q116	S112-K114 PolarHBondContact O-N 3.19Å; K114-Q116 PolarHBondContact O-N 2.76Å
115	R	25.6	Very low	28.9	Very low	232 Å²	232	153.2 Å²	153.2	88%	0.875	77%	0.767	S	S	*	*			trans	-67.9	118.1	171.5	-93.3	179.3	168.5	174.5	-2.4	110	L113 K117	L113-R115 PolarHBondContact O-N 3.41Å; R115-K117 PolarHBondContact O-N 3.5Å
116	Q	24.6	Very low	30	Very low	182 Å²	182	146.8 Å²	146.8	85%	0.85	75%	0.746	S	S	*	*			trans	-68.5	117.2	163	-90.8	-178.7	-8.9	0	0	108.9	K114 I118	K114-Q116 PolarHBondContact O-N 2.76Å; Q116-I118 PolarHBondContact O-N 2.76Å
117	K	27.5	Very low	30.9	Very low	164 Å²	164	146 Å²	146	71%	0.713	73%	0.732	S	S	*	*			trans	-75.2	104.6	174.6	-165.4	-170.1	-170.7	-165.1	0	107.9	R115 E119	R115-K117 PolarHBondContact O-N 3.5Å; K117-E119 HydrophobicContact CD-CG 4.13Å; K117-E119 WeakPolarHBondContact CE-OE1 3.4Å; K117-E119 HydrophobicContact CG-CG 4.18Å; K117-E119 IonicContact NZ-OE1 2.61Å; K117-E119 PolarHBondContact NZ-OE1 3.41Å; K117-E119 PolarHBondContact O-N 3.14Å
118	I	28	Very low	32	Very low	139 Å²	139	145.1 Å²	145.1	71%	0.713	73%	0.725	S	S	*	*			trans	-91	95.9	169.7	-54.1	177	0	0	0	106.2	Q116 I120	Q116-I118 PolarHBondContact O-N 2.76Å; I118-I120 HydrophobicContact CG2-CD1 4.35Å; I118-I120 HydrophobicContact CG2-CG1 3.84Å; I118-I120 PolarHBondContact O-N 3.24Å
119	E	27.4	Very low	32.7	Very low	145 Å²	145	143.1 Å²	143.1	68%	0.678	71%	0.707	S	S	*	*			trans	-74.1	108.7	168.7	-76.1	177.3	164.3	0	0	108	K117	K117-E119 HydrophobicContact CD-CG 4.13Å; K117-E119 WeakPolarHBondContact CE-OE1 3.4Å; K117-E119 HydrophobicContact CG-CG 4.18Å; K117-E119 IonicContact NZ-OE1 2.61Å; K117-E119 PolarHBondContact NZ-OE1 3.41Å; K117-E119 PolarHBondContact O-N 3.14Å
120	I	31.2	Very low	33.6	Very low	102 Å²	102	141.5 Å²	141.5	52%	0.523	69%	0.689	S	S	.	*			trans	-99.2	108.7	170.9	-55.8	178.5	0	0	0	106.5	I118 V122 I125	I118-I120 HydrophobicContact CG2-CD1 4.35Å; I118-I120 HydrophobicContact CG2-CG1 3.84Å; I118-I120 PolarHBondContact O-N 3.24Å; I120-V122 PolarHBondContact O-N 2.75Å; I120-I125 HydrophobicContact CG2-CD1 4.35Å; I120-I125 HydrophobicContact CG2-CG1 4.17Å
121	E	33.6	Very low	34.4	Very low	179 Å²	179	140.1 Å²	140.1	84%	0.836	68%	0.675	S	S	*	*			trans	-68	111.2	170	-76.7	-172.8	156.3	0	0	109.1	D123	E121-D123 PolarHBondContact O-N 3.46Å
122	V	40.7	Very low	35.2	Very low	68 Å²	68	139.7 Å²	139.7	41%	0.412	67%	0.666	S	S	.	*	G	3₁₀ helix	trans	-69.5	-16.7	-166.6	-178.5	0	0	0	0	113.1	I120 N124	I120-V122 PolarHBondContact O-N 2.75Å; V122-N124 PolarHBondContact O-N 3.47Å
123	D	40	Very low	35.9	Very low	153 Å²	153	137.2 Å²	137.2	82%	0.818	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-76.7	-8.1	-171.4	-67.3	-19.2	0	0	0	113.8	E121	E121-D123 PolarHBondContact O-N 3.46Å
124	N	38.1	Very low	36.5	Very low	154 Å²	154	131.5 Å²	131.5	82%	0.824	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-143.2	49.6	177.3	-75.9	-45.3	0	0	0	113.5	V122 S126	V122-N124 PolarHBondContact O-N 3.47Å; N124-S126 PolarHBondContact O-N 2.75Å
125	I	44	Very low	37	Very low	63 Å²	63	127.8 Å²	127.8	32%	0.323	61%	0.606	S	S	.	*			trans	-62.8	122.7	170.1	-89.8	176.1	0	0	0	109.4	I120 E129 F130	I120-I125 HydrophobicContact CG2-CD1 4.35Å; I120-I125 HydrophobicContact CG2-CG1 4.17Å; I125-E129 HydrophobicContact CG2-CB 4Å; I125-F130 HydrophobicContact CG2-CB 3.64Å
126	S	44.6	Very low	37.3	Very low	51 Å²	51	122.1 Å²	122.1	36%	0.357	59%	0.593	S	S	.	*			trans	-65.6	152.2	173	67.4	0	0	0	0	110.5	N124 K128 E129 F130	N124-S126 PolarHBondContact O-N 2.75Å; S126-K128 PolarHBondContact O-N 3.41Å; S126-E129 VanDerWaalsContact CB-OE2 3.3Å; S126-E129 WeakPolarHBondContact CB-OE2 3.31Å; S126-E129 PolarHBondContact N-OE2 2.77Å; S126-E129 WeakPolarHBondContact O-CA 3.43Å; S126-E129 PolarHBondContact O-N 3.28Å; S126-E129 VanDerWaalsContact OG-CD 3.29Å; S126-E129 WeakPolarHBondContact OG-CG 3.47Å; S126-E129 PolarHBondContact OG-N 3.46Å; S126-E129 PolarHBondContact OG-OE2 2.85Å; S126-F130 PolarHBondContact O-N 3.46Å
127	D	46.7	Very low	37.5	Very low	107 Å²	107	120.2 Å²	120.2	57%	0.572	59%	0.588	S	S	*	*	H	α-helix	trans	-51	-29.8	174.4	-124.7	39.8	0	0	0	112.7	R131	D127-R131 WeakPolarHBondContact O-CB 3.29Å; D127-R131 WeakPolarHBondContact O-CG 3.32Å; D127-R131 PolarHBondContact O-N 2.74Å; D127-R131 PolarHBondContact O-NE 2.95Å; D127-R131 IonicContact OD2-CZ 3.76Å; D127-R131 IonicContact OD2-NE 3.88Å; D127-R131 IonicContact OD2-NH2 2.8Å; D127-R131 PolarHBondContact OD2-NH2 2.83Å
128	K	46.8	Very low	37.6	Very low	172 Å²	172	117 Å²	117	75%	0.748	58%	0.582	S	S	*	*	H	α-helix	trans	-72.9	-42.8	176	-174	-179	179.2	-177	0	112.2	S126 R132	S126-K128 PolarHBondContact O-N 3.41Å; K128-R132 WeakPolarHBondContact O-CB 3.28Å; K128-R132 PolarHBondContact O-N 3.13Å
129	E	42	Very low	37.5	Very low	92 Å²	92	116.3 Å²	116.3	43%	0.43	58%	0.579	S	S	.	*	H	α-helix	trans	-70.4	-38.9	175.4	-75.6	155	148.8	0	0	111.4	I125 S126 R132 V133	I125-E129 HydrophobicContact CG2-CB 4Å; S126-E129 VanDerWaalsContact CB-OE2 3.3Å; S126-E129 WeakPolarHBondContact CB-OE2 3.31Å; S126-E129 PolarHBondContact N-OE2 2.77Å; S126-E129 WeakPolarHBondContact O-CA 3.43Å; S126-E129 PolarHBondContact O-N 3.28Å; S126-E129 VanDerWaalsContact OG-CD 3.29Å; S126-E129 WeakPolarHBondContact OG-CG 3.47Å; S126-E129 PolarHBondContact OG-N 3.46Å; S126-E129 PolarHBondContact OG-OE2 2.85Å; E129-R132 PolarHBondContact O-N 2.76Å; E129-V133 WeakPolarHBondContact O-CG2 3.34Å; E129-V133 PolarHBondContact O-N 2.73Å
130	F	42.8	Very low	37.5	Very low	105 Å²	105	117.9 Å²	117.9	46%	0.461	58%	0.584	S	S	.	*	H	α-helix	trans	-60.1	-48.4	172.8	-174.9	-105.2	0	0	0	110.9	I125 S126 R132 V133 C134	I125-F130 HydrophobicContact CG2-CB 3.64Å; S126-F130 PolarHBondContact O-N 3.46Å; F130-R132 VanDerWaalsContact C-N 3.3Å; F130-R132 PolarHBondContact O-N 3.38Å; F130-V133 PolarHBondContact O-N 2.79Å; F130-C134 VanDerWaalsContact CE1-SG 3.51Å; F130-C134 WeakPolarHBondContact O-CB 3.25Å; F130-C134 PolarHBondContact O-N 2.81Å; F130-C134 PolarHBondContact O-SG 3.14Å
131	R	43.8	Very low	37.5	Very low	160 Å²	160	116.2 Å²	116.2	60%	0.604	59%	0.586	S	S	*	*	H	α-helix	trans	-59.5	-39.7	174.8	-76.6	173.9	-141.7	-126.5	2.6	112.3	D127 C134 M135	D127-R131 WeakPolarHBondContact O-CB 3.29Å; D127-R131 WeakPolarHBondContact O-CG 3.32Å; D127-R131 PolarHBondContact O-N 2.74Å; D127-R131 PolarHBondContact O-NE 2.95Å; D127-R131 IonicContact OD2-CZ 3.76Å; D127-R131 IonicContact OD2-NE 3.88Å; D127-R131 IonicContact OD2-NH2 2.8Å; D127-R131 PolarHBondContact OD2-NH2 2.83Å; R131-C134 CarbonylContact O-C 3.59Å; R131-C134 PolarHBondContact O-N 2.91Å; R131-M135 WeakPolarHBondContact O-CG 3.5Å; R131-M135 PolarHBondContact O-N 2.84Å
132	R	41.1	Very low	37.1	Very low	177 Å²	177	112.8 Å²	112.8	67%	0.668	58%	0.581	S	S	*	*	H	α-helix	trans	-65.7	-43.4	177	-175.3	-179.1	172.5	-177	-1.9	112.1	K128 E129 F130 M135 L136	K128-R132 WeakPolarHBondContact O-CB 3.28Å; K128-R132 PolarHBondContact O-N 3.13Å; E129-R132 PolarHBondContact O-N 2.76Å; F130-R132 VanDerWaalsContact C-N 3.3Å; F130-R132 PolarHBondContact O-N 3.38Å; R132-M135 PolarHBondContact O-N 3.37Å; R132-L136 WeakPolarHBondContact O-CG 2.85Å; R132-L136 PolarHBondContact O-N 3.4Å
133	V	38.1	Very low	36.6	Very low	66 Å²	66	116 Å²	116	40%	0.4	60%	0.595	S	S	.	*	H	α-helix	trans	-64.3	-42.2	174.1	172.9	0	0	0	0	110.4	E129 F130 M135 L136 L137	E129-V133 WeakPolarHBondContact O-CG2 3.34Å; E129-V133 PolarHBondContact O-N 2.73Å; F130-V133 PolarHBondContact O-N 2.79Å; V133-M135 VanDerWaalsContact C-N 3.33Å; V133-M135 PolarHBondContact O-N 3.24Å; V133-L136 PolarHBondContact O-N 2.85Å; V133-L137 HydrophobicContact CG1-CD1 4.09Å; V133-L137 VanDerWaalsContact O-CG 3.3Å; V133-L137 WeakPolarHBondContact O-CG 3.49Å; V133-L137 PolarHBondContact O-N 2.81Å
134	C	36.1	Very low	36.1	Very low	41 Å²	41	116.4 Å²	116.4	28%	0.277	59%	0.59	S	S	.	*	H	α-helix	trans	-60.8	-40.5	172.2	-71.8	0	0	0	0	111.9	F130 R131 L136 L137 T138	F130-C134 VanDerWaalsContact CE1-SG 3.51Å; F130-C134 WeakPolarHBondContact O-CB 3.25Å; F130-C134 PolarHBondContact O-N 2.81Å; F130-C134 PolarHBondContact O-SG 3.14Å; R131-C134 CarbonylContact O-C 3.59Å; R131-C134 PolarHBondContact O-N 2.91Å; C134-L136 VanDerWaalsContact C-N 3.34Å; C134-L136 PolarHBondContact O-N 3.47Å; C134-L137 CarbonylContact O-C 3.44Å; C134-L137 PolarHBondContact O-N 3.34Å; C134-L137 VanDerWaalsContact O-N 3.13Å; C134-T138 WeakPolarHBondContact O-CB 3.34Å; C134-T138 WeakPolarHBondContact O-CG2 3.47Å; C134-T138 PolarHBondContact O-N 3.42Å; C134-T138 PolarHBondContact O-OG1 3.03Å
135	M	34	Very low	35.7	Very low	131 Å²	131	117.8 Å²	117.8	65%	0.645	59%	0.592	S	S	*	*	H	α-helix	trans	-61.2	-41.4	174.9	-70	-140.2	-48	0	0	111.9	R131 R132 V133 L137 T138 D139	R131-M135 WeakPolarHBondContact O-CG 3.5Å; R131-M135 PolarHBondContact O-N 2.84Å; R132-M135 PolarHBondContact O-N 3.37Å; V133-M135 VanDerWaalsContact C-N 3.33Å; V133-M135 PolarHBondContact O-N 3.24Å; M135-L137 VanDerWaalsContact C-N 3.28Å; M135-L137 PolarHBondContact O-N 2.86Å; M135-T138 WeakPolarHBondContact CA-OG1 3.27Å; M135-T138 CarbonylContact O-C 3.59Å; M135-T138 PolarHBondContact O-N 2.81Å; M135-T138 PolarHBondContact O-OG1 2.9Å; M135-D139 PolarHBondContact O-N 2.95Å
136	L	31.5	Very low	35.2	Very low	114 Å²	114	122 Å²	122	60%	0.597	62%	0.615	S	S	*	*	H	α-helix	trans	-66.8	-28.5	175	-68.3	166.5	0	0	0	112.7	R132 V133 C134	R132-L136 WeakPolarHBondContact O-CG 2.85Å; R132-L136 PolarHBondContact O-N 3.4Å; V133-L136 PolarHBondContact O-N 2.85Å; C134-L136 VanDerWaalsContact C-N 3.34Å; C134-L136 PolarHBondContact O-N 3.47Å
137	L	30.6	Very low	34.6	Very low	142 Å²	142	123.6 Å²	123.6	74%	0.743	63%	0.626	S	S	*	*	H	α-helix	trans	-81.5	-26	173.4	-66.8	169.3	0	0	0	112.5	V133 C134 M135	V133-L137 HydrophobicContact CG1-CD1 4.09Å; V133-L137 VanDerWaalsContact O-CG 3.3Å; V133-L137 WeakPolarHBondContact O-CG 3.49Å; V133-L137 PolarHBondContact O-N 2.81Å; C134-L137 CarbonylContact O-C 3.44Å; C134-L137 PolarHBondContact O-N 3.34Å; C134-L137 VanDerWaalsContact O-N 3.13Å; M135-L137 VanDerWaalsContact C-N 3.28Å; M135-L137 PolarHBondContact O-N 2.86Å
138	T	28.9	Very low	34.1	Very low	96 Å²	96	125 Å²	125	59%	0.589	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	25.5	174.3	63.5	0	0	0	0	112.1	C134 M135 K140	C134-T138 WeakPolarHBondContact O-CB 3.34Å; C134-T138 WeakPolarHBondContact O-CG2 3.47Å; C134-T138 PolarHBondContact O-N 3.42Å; C134-T138 PolarHBondContact O-OG1 3.03Å; M135-T138 WeakPolarHBondContact CA-OG1 3.27Å; M135-T138 CarbonylContact O-C 3.59Å; M135-T138 PolarHBondContact O-N 2.81Å; M135-T138 PolarHBondContact O-OG1 2.9Å; T138-K140 PolarHBondContact O-N 2.76Å
139	D	26.6	Very low	33.4	Very low	124 Å²	124	125.6 Å²	125.6	66%	0.663	64%	0.638	S	S	*	*			trans	-59	85.9	159.8	-94.8	-14.1	0	0	0	105.2	M135 A141	M135-D139 PolarHBondContact O-N 2.95Å; D139-A141 PolarHBondContact O-N 2.75Å; D139-A141 VanDerWaalsContact O-N 3.17Å
140	K	26.8	Very low	33	Very low	179 Å²	179	128.6 Å²	128.6	78%	0.778	66%	0.656	S	S	*	*			trans	-43.3	126.9	156.8	-75.6	-180	174.1	-179	0	103	T138 S142	T138-K140 PolarHBondContact O-N 2.76Å; K140-S142 PolarHBondContact O-N 3.18Å; K140-S142 PolarHBondContact O-OG 3.41Å
141	A	30	Very low	32.7	Very low	67 Å²	67	125.9 Å²	125.9	55%	0.554	65%	0.653	S	S	*	*			trans	-64.5	72	168.1	0	0	0	0	0	108.2	D139 L143	D139-A141 PolarHBondContact O-N 2.75Å; D139-A141 VanDerWaalsContact O-N 3.17Å; A141-L143 HydrophobicContact CB-CD1 4.46Å; A141-L143 HydrophobicContact CB-CG 4.44Å; A141-L143 PolarHBondContact O-N 3.37Å
142	S	26	Very low	32.6	Very low	107 Å²	107	121.9 Å²	121.9	75%	0.748	64%	0.643	S	S	*	*			trans	-69.5	74.9	156.7	43.2	0	0	0	0	105.2	K140 F144	K140-S142 PolarHBondContact O-N 3.18Å; K140-S142 PolarHBondContact O-OG 3.41Å; S142-F144 PolarHBondContact O-N 3.34Å
143	L	30	Very low	32.6	Very low	135 Å²	135	121.3 Å²	121.3	71%	0.707	65%	0.648	S	S	*	*			trans	-66.1	100.3	169.7	-81.5	157.5	0	0	0	106.9	A141	A141-L143 HydrophobicContact CB-CD1 4.46Å; A141-L143 HydrophobicContact CB-CG 4.44Å; A141-L143 PolarHBondContact O-N 3.37Å
144	F	29.2	Very low	32.8	Very low	161 Å²	161	123.5 Å²	123.5	71%	0.706	65%	0.65	S	S	*	*			trans	45.3	85.8	145.8	-58.5	-87.3	0	0	0	116.3	S142 D146	S142-F144 PolarHBondContact O-N 3.34Å; F144-D146 PolarHBondContact O-N 3.04Å
145	E	31.1	Very low	33.2	Very low	184 Å²	184	123.9 Å²	123.9	86%	0.86	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-12.8	161.4	-79.5	-173.9	147.8	0	0	112.8
146	D	32.6	Very low	33.7	Very low	151 Å²	151	121.5 Å²	121.5	81%	0.807	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	7.7	-169.9	-69	-26.8	0	0	0	116.1	F144 I148	F144-D146 PolarHBondContact O-N 3.04Å; D146-I148 VanDerWaalsContact C-N 3.28Å; D146-I148 PolarHBondContact O-N 3.31Å
147	S	32.5	Very low	34.5	Very low	84 Å²	84	120.3 Å²	120.3	59%	0.587	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-85.6	20.1	-178.6	62.6	0	0	0	0	115.5	Q149	S147-Q149 PolarHBondContact O-N 3.48Å
148	I	34.8	Very low	35.6	Very low	137 Å²	137	116.6 Å²	116.6	70%	0.703	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-72.3	-9.1	175.2	-64.2	178.3	0	0	0	112.7	D146 L150	D146-I148 VanDerWaalsContact C-N 3.28Å; D146-I148 PolarHBondContact O-N 3.31Å; I148-L150 PolarHBondContact O-N 2.98Å
149	Q	33.6	Very low	37.3	Very low	185 Å²	185	116 Å²	116	86%	0.864	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-94	18.7	-177.7	-71.1	-170.3	-1	0	0	116.3	S147	S147-Q149 PolarHBondContact O-N 3.48Å
150	L	33	Very low	39.3	Very low	154 Å²	154	111.8 Å²	111.8	81%	0.806	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-108.6	20.2	178.4	-91.9	153.3	0	0	0	114.9	I148 N152	I148-L150 PolarHBondContact O-N 2.98Å; L150-N152 PolarHBondContact O-N 3.4Å; L150-N152 VanDerWaalsContact O-N 3.13Å
151	A	36.4	Very low	41.4	Very low	48 Å²	48	105.8 Å²	105.8	40%	0.397	58%	0.58	S	S	.	*			trans	-64.3	113	159.4	0	0	0	0	0	107.5	I157	A151-I157 HydrophobicContact CB-CD1 4.06Å
152	N	41	Very low	43.6	Very low	76 Å²	76	103 Å²	103	41%	0.406	56%	0.555	S	S	.	*			trans	-65	156.8	178.2	85.9	30.1	0	0	0	109	L150 Y154 Q155	L150-N152 PolarHBondContact O-N 3.4Å; L150-N152 VanDerWaalsContact O-N 3.13Å; N152-Y154 PolarHBondContact O-N 2.78Å; N152-Y154 VanDerWaalsContact OD1-CA 3.3Å; N152-Y154 WeakPolarHBondContact OD1-CA 3.2Å; N152-Y154 WeakPolarHBondContact OD1-CB 3.4Å; N152-Y154 WeakPolarHBondContact OD1-CD2 3.17Å; N152-Y154 PolarHBondContact OD1-N 3.45Å; N152-Q155 PolarHBondContact O-N 3.43Å; N152-Q155 PolarHBondContact OD1-N 2.76Å
153	Q	42.5	Very low	45.6	Very low	165 Å²	165	100.2 Å²	100.2	77%	0.771	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-8.8	-177.3	66.3	-172.5	-2.6	0	0	116.1
154	Y	42.4	Very low	47.3	Very low	113 Å²	113	94 Å²	94	44%	0.443	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	1.9	179.9	-50.6	-77.7	0	0	0	113.6	N152 T198	N152-Y154 PolarHBondContact O-N 2.78Å; N152-Y154 VanDerWaalsContact OD1-CA 3.3Å; N152-Y154 WeakPolarHBondContact OD1-CA 3.2Å; N152-Y154 WeakPolarHBondContact OD1-CB 3.4Å; N152-Y154 WeakPolarHBondContact OD1-CD2 3.17Å; N152-Y154 PolarHBondContact OD1-N 3.45Å; Y154-T198 PolarHBondContact O-N 2.96Å
155	Q	44.1	Very low	49	Very low	49 Å²	49	89.5 Å²	89.5	23%	0.229	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.7	-179.5	-70.6	176	-32.9	0	0	110.7	N152 Y197	N152-Q155 PolarHBondContact O-N 3.43Å; N152-Q155 PolarHBondContact OD1-N 2.76Å; Q155-Y197 HydrophobicContact CG-CE1 4.24Å
156	C	43.5	Very low	50.1	Low	81 Å²	81	86.3 Å²	86.3	55%	0.547	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.4	169.5	-157.9	0	0	0	0	109	Y196	C156-Y196 PolarHBondContact N-O 2.93Å; C156-Y196 PolarHBondContact O-N 2.68Å
157	I	49.3	Very low	52.1	Low	89 Å²	89	81.4 Å²	81.4	46%	0.456	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	117.8	-179.5	-59.2	170.8	0	0	0	108.2	A151	A151-I157 HydrophobicContact CB-CD1 4.06Å
158	S	53.6	Low	54.5	Low	63 Å²	63	85.4 Å²	85.4	44%	0.441	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-89	172.1	168.4	-170.5	0	0	0	0	111.1	C160	S158-C160 PolarHBondContact O-N 3.09Å
159	A	63.5	Low	56.6	Low	83 Å²	83	81.9 Å²	81.9	69%	0.686	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-51.5	131.6	-179.1	0	0	0	0	0	111.8
160	C	69.8	Low	58.9	Low	36 Å²	36	78.3 Å²	78.3	24%	0.243	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-63.4	155.8	179.1	-49.3	0	0	0	0	111.8	S158 K172 K191 Y192 S193	S158-C160 PolarHBondContact O-N 3.09Å; C160-K172 VanDerWaalsContact O-O 3.1Å; C160-K191 HydrophobicContact CB-CD 4.41Å; C160-K191 HydrophobicContact CB-CG 4.18Å; C160-K191 WeakPolarHBondContact SG-CE 3.24Å; C160-Y192 CarbonylContact C-O 3.48Å; C160-Y192 WeakPolarHBondContact CA-O 3.47Å; C160-Y192 WeakPolarHBondContact CB-O 3.35Å; C160-S193 PolarHBondContact SG-OG 2.84Å
161	Y	71.7	Confident	61.1	Low	54 Å²	54	71 Å²	71	21%	0.212	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	165.2	171.2	61.4	-93	0	0	0	110.6	I163 I170 G171 Y192 P194 S206	Y161-I163 HydrophobicContact CD2-CD1 4.27Å; Y161-I163 HydrophobicContact CD2-CG1 3.9Å; Y161-I163 HydrophobicContact CE2-CD1 3.62Å; Y161-I163 HydrophobicContact CE2-CG1 3.77Å; Y161-I170 HydrophobicContact CD2-CG2 4.11Å; Y161-G171 CarbonylContact C-O 3.52Å; Y161-G171 WeakPolarHBondContact CA-O 3.5Å; Y161-G171 WeakPolarHBondContact CB-O 3.48Å; Y161-Y192 VanDerWaalsContact CE2-CB 3.47Å; Y161-Y192 HydrophobicContact CE2-CD2 4.07Å; Y161-Y192 AromaticContact CE2-CG 3.95Å; Y161-Y192 HydrophobicContact CE2-CG 3.95Å; Y161-Y192 PolarHBondContact N-O 3.3Å; Y161-Y192 PolarHBondContact O-N 3.35Å; Y161-P194 HydrophobicContact CD1-CG 4.44Å; Y161-P194 HydrophobicContact CE1-CB 4.22Å; Y161-P194 HydrophobicContact CE1-CG 4.21Å; Y161-S206 WeakPolarHBondContact OH-CB 3.46Å; Y161-S206 PolarHBondContact OH-OG 2.93Å
162	F	74.4	Confident	63.2	Low	7 Å²	7	77.1 Å²	77.1	3%	0.031	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.4	-175.4	-67.5	-102.4	0	0	0	110	I170 G171 T173 E174 A177 C189 S190 K191 V213	F162-I170 CarbonylContact O-C 3.37Å; F162-I170 VanDerWaalsContact O-CA 3.28Å; F162-I170 WeakPolarHBondContact O-CA 3.15Å; F162-G171 PolarHBondContact N-O 3.18Å; F162-G171 PolarHBondContact O-N 2.93Å; F162-T173 WeakPolarHBondContact CD2-O 3.2Å; F162-T173 VanDerWaalsContact CE2-C 3.43Å; F162-E174 HydrophobicContact CE1-CB 4.21Å; F162-E174 HydrophobicContact CE1-CG 4.48Å; F162-E174 HydrophobicContact CE2-CB 4.15Å; F162-E174 VanDerWaalsContact CE2-N 3.26Å; F162-E174 HydrophobicContact CZ-CB 3.64Å; F162-E174 HydrophobicContact CZ-CG 4.34Å; F162-A177 HydrophobicContact CB-CB 3.84Å; F162-A177 HydrophobicContact CD1-CB 3.88Å; F162-A177 HydrophobicContact CG-CB 3.91Å; F162-C189 HydrophobicContact CB-CB 4.48Å; F162-S190 CarbonylContact C-O 3.55Å; F162-S190 VanDerWaalsContact CA-O 3.24Å; F162-S190 WeakPolarHBondContact CA-O 3.48Å; F162-K191 HydrophobicContact CD1-CB 3.86Å; F162-K191 HydrophobicContact CD1-CG 4.27Å; F162-K191 HydrophobicContact CE1-CB 3.59Å; F162-K191 HydrophobicContact CE1-CD 4.04Å; F162-K191 HydrophobicContact CE1-CG 3.79Å; F162-K191 HydrophobicContact CE2-CD 4.42Å; F162-K191 HydrophobicContact CE2-CG 4.17Å; F162-K191 HydrophobicContact CZ-CB 4.08Å; F162-K191 HydrophobicContact CZ-CD 3.72Å; F162-K191 HydrophobicContact CZ-CG 3.72Å; F162-V213 HydrophobicContact CE1-CG2 4.28Å
163	I	69.6	Low	65	Low	50 Å²	50	76.7 Å²	76.7	26%	0.256	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137	177.5	-58	179.7	0	0	0	109.4	Y161 Y169 I170 C189 S190 Y192	Y161-I163 HydrophobicContact CD2-CD1 4.27Å; Y161-I163 HydrophobicContact CD2-CG1 3.9Å; Y161-I163 HydrophobicContact CE2-CD1 3.62Å; Y161-I163 HydrophobicContact CE2-CG1 3.77Å; I163-Y169 WeakPolarHBondContact CA-O 3.42Å; I163-I170 HydrophobicContact CG1-CG1 4.26Å; I163-I170 HydrophobicContact CG1-CG2 4.46Å; I163-C189 CarbonylContact O-C 3.55Å; I163-C189 WeakPolarHBondContact O-CA 2.97Å; I163-S190 PolarHBondContact N-O 2.9Å; I163-S190 PolarHBondContact O-N 3.04Å; I163-Y192 HydrophobicContact CB-CD2 4.28Å; I163-Y192 HydrophobicContact CB-CE2 4Å; I163-Y192 HydrophobicContact CD1-CD2 3.98Å; I163-Y192 HydrophobicContact CD1-CE2 3.98Å; I163-Y192 HydrophobicContact CG1-CD2 3.96Å; I163-Y192 HydrophobicContact CG1-CE2 4.09Å
164	C	65.1	Low	66.6	Low	5 Å²	5	73.2 Å²	73.2	3%	0.034	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	136.8	169.8	-175.3	0	0	0	0	111.7	Y166 C167 Y169 H180 H186	C164-Y166 PolarHBondContact O-N 3.46Å; C164-Y166 PolarHBondContact SG-N 3.4Å; C164-C167 VanDerWaalsContact O-O 3.09Å; C164-Y169 HydrophobicContact CB-CD1 4.23Å; C164-Y169 PolarHBondContact N-O 2.75Å; C164-H180 WeakPolarHBondContact CB-NE2 3.34Å; C164-H180 PolarHBondContact SG-NE2 3.43Å; C164-H186 PolarHBondContact SG-ND1 3.2Å
165	D	64.3	Low	68.5	Low	66 Å²	66	72.3 Å²	72.3	35%	0.353	39%	0.386	S	S	.	.	S	Bend	trans	-77.6	-7.1	178.5	-58.8	-23	0	0	0	113.1	T188 S190 R212	D165-T188 PolarHBondContact N-O 2.99Å; D165-T188 WeakPolarHBondContact OD2-CB 3.03Å; D165-T188 PolarHBondContact OD2-OG1 2.64Å; D165-S190 PolarHBondContact OD1-OG 2.7Å; D165-R212 IonicContact OD2-CZ 3.83Å; D165-R212 IonicContact OD2-NE 3.92Å; D165-R212 IonicContact OD2-NH2 3.09Å; D165-R212 PolarHBondContact OD2-NH2 3.33Å; D165-R212 VanDerWaalsContact OD2-NH2 3.09Å
166	Y	54.3	Low	70.2	Confident	116 Å²	116	72.4 Å²	72.4	46%	0.455	39%	0.388	S	S	.	.	S	Bend	trans	-119.4	-12	-171.6	-60.4	-89.1	0	0	0	114.2	C164 H186 L187 T188	C164-Y166 PolarHBondContact O-N 3.46Å; C164-Y166 PolarHBondContact SG-N 3.4Å; Y166-H186 HydrophobicContact CD2-CB 3.95Å; Y166-H186 HydrophobicContact CG-CB 4.36Å; Y166-L187 HydrophobicContact CE2-CB 3.81Å; Y166-L187 HydrophobicContact CE2-CG 4.5Å; Y166-T188 WeakPolarHBondContact CE2-OG1 2.97Å
167	C	74.3	Confident	71.7	Confident	48 Å²	48	68.7 Å²	68.7	32%	0.324	36%	0.363	S	S	.	.	S	Bend	trans	-155.7	173.9	176.2	70.4	0	0	0	0	111.3	C164 Y169 H180 H186	C164-C167 VanDerWaalsContact O-O 3.09Å; C167-Y169 PolarHBondContact O-N 3.05Å; C167-H180 PolarHBondContact SG-CE1 3.49Å; C167-H186 VanDerWaalsContact SG-CE1 3.52Å
168	D	82.8	Confident	73	Confident	168 Å²	168	68 Å²	68	90%	0.898	36%	0.358	S	S	*	.	S	Bend	trans	-74.3	20.5	-176.3	-55	-39.3	0	0	0	114.6
169	Y	79.1	Confident	74.2	Confident	64 Å²	64	68.2 Å²	68.2	25%	0.251	35%	0.353	S	S	.	.			trans	-72.7	133.9	-179.4	173	-93.2	0	0	0	112.1	I163 C164 C167 G171 D176 H180	I163-Y169 WeakPolarHBondContact CA-O 3.42Å; C164-Y169 HydrophobicContact CB-CD1 4.23Å; C164-Y169 PolarHBondContact N-O 2.75Å; C167-Y169 PolarHBondContact O-N 3.05Å; Y169-G171 WeakPolarHBondContact OH-CA 3.28Å; Y169-D176 VanDerWaalsContact OH-C 3.26Å; Y169-D176 WeakPolarHBondContact OH-CB 3.02Å; Y169-D176 PolarHBondContact OH-O 3.14Å; Y169-D176 VanDerWaalsContact OH-O 3.09Å; Y169-H180 VanDerWaalsContact CB-CE1 3.5Å; Y169-H180 WeakPolarHBondContact CB-CE1 3.06Å; Y169-H180 HydrophobicContact CD1-CB 3.88Å; Y169-H180 AromaticContact CD1-CD2 3.81Å; Y169-H180 AromaticContact CD1-CG 3.43Å; Y169-H180 VanDerWaalsContact CD1-CG 3.43Å; Y169-H180 AromaticContact CD1-ND1 3.59Å; Y169-H180 HydrophobicContact CD2-CB 4.38Å; Y169-H180 AromaticContact CD2-ND1 3.54Å; Y169-H180 HydrophobicContact CE1-CB 3.54Å; Y169-H180 AromaticContact CE1-CG 3.67Å; Y169-H180 HydrophobicContact CE2-CB 4.08Å; Y169-H180 HydrophobicContact CG-CB 4.28Å; Y169-H180 AromaticContact CG-CE1 3.64Å; Y169-H180 AromaticContact CG-CG 3.64Å; Y169-H180 AromaticContact CG-ND1 3.26Å; Y169-H180 VanDerWaalsContact CG-ND1 3.26Å
170	I	82.6	Confident	74.9	Confident	109 Å²	109	64.7 Å²	64.7	56%	0.559	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	120.5	173.3	-50.6	-178.9	0	0	0	109.9	Y161 F162 I163	Y161-I170 HydrophobicContact CD2-CG2 4.11Å; F162-I170 CarbonylContact O-C 3.37Å; F162-I170 VanDerWaalsContact O-CA 3.28Å; F162-I170 WeakPolarHBondContact O-CA 3.15Å; I163-I170 HydrophobicContact CG1-CG1 4.26Å; I163-I170 HydrophobicContact CG1-CG2 4.46Å
171	G	78.4	Confident	74.9	Confident	2 Å²	2	64 Å²	64	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	154.5	175.3	0	0	0	0	0	112.4	Y161 F162 Y169	Y161-G171 CarbonylContact C-O 3.52Å; Y161-G171 WeakPolarHBondContact CA-O 3.5Å; Y161-G171 WeakPolarHBondContact CB-O 3.48Å; F162-G171 PolarHBondContact N-O 3.18Å; F162-G171 PolarHBondContact O-N 2.93Å; Y169-G171 WeakPolarHBondContact OH-CA 3.28Å
172	K	81.5	Confident	75.2	Confident	176 Å²	176	68 Å²	68	77%	0.765	34%	0.337	S	S	*	.	S	Bend	trans	-96.2	-24.9	179.1	-65.7	-178.8	-178.5	179.1	0	112.2	C160 D176	C160-K172 VanDerWaalsContact O-O 3.1Å; K172-D176 PolarHBondContact N-OD2 3.24Å; K172-D176 VanDerWaalsContact N-OD2 3.1Å
173	T	78.1	Confident	75.6	Confident	66 Å²	66	75 Å²	75	41%	0.405	37%	0.37	S	S	.	.	S	Bend	trans	-123.8	160.6	-179.1	73.4	0	0	0	0	111.4	F162 N175 D176 A177	F162-T173 WeakPolarHBondContact CD2-O 3.2Å; F162-T173 VanDerWaalsContact CE2-C 3.43Å; T173-N175 PolarHBondContact O-N 3.46Å; T173-N175 PolarHBondContact OG1-N 2.83Å; T173-D176 PolarHBondContact N-OD2 2.8Å; T173-D176 PolarHBondContact O-N 2.95Å; T173-D176 PolarHBondContact OG1-N 3.01Å; T173-D176 PolarHBondContact OG1-OD1 3.38Å; T173-D176 VanDerWaalsContact OG1-OD1 3.11Å; T173-D176 PolarHBondContact OG1-OD2 3.2Å; T173-A177 PolarHBondContact O-N 3.39Å
174	E	77.4	Confident	75.7	Confident	92 Å²	92	75.3 Å²	75.3	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-34.3	173.3	178.8	164.6	-179.4	0	0	111.8	F162 A177 Q178 V213	F162-E174 HydrophobicContact CE1-CB 4.21Å; F162-E174 HydrophobicContact CE1-CG 4.48Å; F162-E174 HydrophobicContact CE2-CB 4.15Å; F162-E174 VanDerWaalsContact CE2-N 3.26Å; F162-E174 HydrophobicContact CZ-CB 3.64Å; F162-E174 HydrophobicContact CZ-CG 4.34Å; E174-A177 WeakPolarHBondContact O-CB 3.04Å; E174-A177 PolarHBondContact O-N 3.36Å; E174-Q178 WeakPolarHBondContact O-CG 3.34Å; E174-Q178 PolarHBondContact O-N 3.25Å; E174-V213 HydrophobicContact CG-CB 4.48Å; E174-V213 HydrophobicContact CG-CG1 4Å; E174-V213 HydrophobicContact CG-CG2 3.87Å; E174-V213 VanDerWaalsContact OE1-CG1 3.24Å; E174-V213 WeakPolarHBondContact OE1-CG1 3.46Å; E174-V213 WeakPolarHBondContact OE1-CG2 3.37Å
175	N	80.9	Confident	76	Confident	94 Å²	94	82 Å²	82	50%	0.503	41%	0.41	S	S	.	.	H	α-helix	trans	-64.6	-39.8	176.5	-173.3	69.6	0	0	0	111.7	T173 A177 Q178 I179	T173-N175 PolarHBondContact O-N 3.46Å; T173-N175 PolarHBondContact OG1-N 2.83Å; N175-A177 VanDerWaalsContact C-N 3.31Å; N175-A177 PolarHBondContact O-N 3.26Å; N175-Q178 PolarHBondContact O-N 3.28Å; N175-I179 WeakPolarHBondContact ND2-CD1 3.5Å; N175-I179 WeakPolarHBondContact O-CG1 3.46Å; N175-I179 PolarHBondContact O-N 2.88Å
176	D	80	Confident	76.1	Confident	52 Å²	52	81.5 Å²	81.5	28%	0.278	41%	0.405	S	S	.	.	H	α-helix	trans	-61.8	-42.8	176.1	-51.1	-31.8	0	0	0	110.8	Y169 K172 T173 I179 H180	Y169-D176 VanDerWaalsContact OH-C 3.26Å; Y169-D176 WeakPolarHBondContact OH-CB 3.02Å; Y169-D176 PolarHBondContact OH-O 3.14Å; Y169-D176 VanDerWaalsContact OH-O 3.09Å; K172-D176 PolarHBondContact N-OD2 3.24Å; K172-D176 VanDerWaalsContact N-OD2 3.1Å; T173-D176 PolarHBondContact N-OD2 2.8Å; T173-D176 PolarHBondContact O-N 2.95Å; T173-D176 PolarHBondContact OG1-N 3.01Å; T173-D176 PolarHBondContact OG1-OD1 3.38Å; T173-D176 VanDerWaalsContact OG1-OD1 3.11Å; T173-D176 PolarHBondContact OG1-OD2 3.2Å; D176-I179 PolarHBondContact O-N 3.08Å; D176-H180 WeakPolarHBondContact O-CB 3.41Å; D176-H180 PolarHBondContact O-N 2.72Å
177	A	75.9	Confident	75.9	Confident	2 Å²	2	81.7 Å²	81.7	2%	0.017	41%	0.413	C	S	.	.	H	α-helix	trans	-62.4	-43	176.3	0	0	0	0	0	112.4	F162 T173 E174 N175 H180 L181 C189	F162-A177 HydrophobicContact CB-CB 3.84Å; F162-A177 HydrophobicContact CD1-CB 3.88Å; F162-A177 HydrophobicContact CG-CB 3.91Å; T173-A177 PolarHBondContact O-N 3.39Å; E174-A177 WeakPolarHBondContact O-CB 3.04Å; E174-A177 PolarHBondContact O-N 3.36Å; N175-A177 VanDerWaalsContact C-N 3.31Å; N175-A177 PolarHBondContact O-N 3.26Å; A177-H180 WeakPolarHBondContact O-CB 3.17Å; A177-H180 PolarHBondContact O-N 2.85Å; A177-L181 VanDerWaalsContact O-CG 3.27Å; A177-L181 WeakPolarHBondContact O-CG 3.2Å; A177-L181 PolarHBondContact O-N 3.4Å; A177-C189 HydrophobicContact CB-CB 3.73Å
178	Q	75.4	Confident	74.7	Confident	75 Å²	75	79.5 Å²	79.5	35%	0.35	40%	0.398	S	S	.	.	H	α-helix	trans	-64	-44.6	176.5	-71.1	-179.6	4.1	0	0	112.2	E174 N175 H180 L181 Q182 V213	E174-Q178 WeakPolarHBondContact O-CG 3.34Å; E174-Q178 PolarHBondContact O-N 3.25Å; N175-Q178 PolarHBondContact O-N 3.28Å; Q178-H180 VanDerWaalsContact C-N 3.31Å; Q178-H180 PolarHBondContact O-N 2.85Å; Q178-L181 PolarHBondContact O-N 3Å; Q178-Q182 WeakPolarHBondContact O-CG 3.17Å; Q178-Q182 PolarHBondContact O-N 3.3Å; Q178-V213 HydrophobicContact CG-CG1 3.75Å; Q178-V213 VanDerWaalsContact NE2-CG1 3.27Å
179	I	79.3	Confident	73.2	Confident	68 Å²	68	71.6 Å²	71.6	35%	0.349	36%	0.356	S	S	.	.	H	α-helix	trans	-59.9	-44.1	176	-68.9	169.2	0	0	0	110.2	N175 D176 L181 Q182 Q183	N175-I179 WeakPolarHBondContact ND2-CD1 3.5Å; N175-I179 WeakPolarHBondContact O-CG1 3.46Å; N175-I179 PolarHBondContact O-N 2.88Å; D176-I179 PolarHBondContact O-N 3.08Å; I179-L181 PolarHBondContact O-N 3.29Å; I179-Q182 PolarHBondContact O-N 3.45Å; I179-Q183 HydrophobicContact CG2-CG 4.32Å; I179-Q183 WeakPolarHBondContact O-CB 3.22Å; I179-Q183 WeakPolarHBondContact O-CG 3.47Å; I179-Q183 PolarHBondContact O-N 2.79Å
180	H	78.1	Confident	72.3	Confident	8 Å²	8	69.1 Å²	69.1	4%	0.037	35%	0.348	C	S	.	.	H	α-helix	trans	-58.2	-47.9	176.8	167.9	78	0	0	0	112.6	C164 C167 Y169 D176 A177 Q178 Q182 Q183 T184 H186 C189	C164-H180 WeakPolarHBondContact CB-NE2 3.34Å; C164-H180 PolarHBondContact SG-NE2 3.43Å; C167-H180 PolarHBondContact SG-CE1 3.49Å; Y169-H180 VanDerWaalsContact CB-CE1 3.5Å; Y169-H180 WeakPolarHBondContact CB-CE1 3.06Å; Y169-H180 HydrophobicContact CD1-CB 3.88Å; Y169-H180 AromaticContact CD1-CD2 3.81Å; Y169-H180 AromaticContact CD1-CG 3.43Å; Y169-H180 VanDerWaalsContact CD1-CG 3.43Å; Y169-H180 AromaticContact CD1-ND1 3.59Å; Y169-H180 HydrophobicContact CD2-CB 4.38Å; Y169-H180 AromaticContact CD2-ND1 3.54Å; Y169-H180 HydrophobicContact CE1-CB 3.54Å; Y169-H180 AromaticContact CE1-CG 3.67Å; Y169-H180 HydrophobicContact CE2-CB 4.08Å; Y169-H180 HydrophobicContact CG-CB 4.28Å; Y169-H180 AromaticContact CG-CE1 3.64Å; Y169-H180 AromaticContact CG-CG 3.64Å; Y169-H180 AromaticContact CG-ND1 3.26Å; Y169-H180 VanDerWaalsContact CG-ND1 3.26Å; D176-H180 WeakPolarHBondContact O-CB 3.41Å; D176-H180 PolarHBondContact O-N 2.72Å; A177-H180 WeakPolarHBondContact O-CB 3.17Å; A177-H180 PolarHBondContact O-N 2.85Å; Q178-H180 VanDerWaalsContact C-N 3.31Å; Q178-H180 PolarHBondContact O-N 2.85Å; H180-Q182 VanDerWaalsContact C-N 3.31Å; H180-Q182 PolarHBondContact O-N 3.04Å; H180-Q183 PolarHBondContact O-N 2.89Å; H180-T184 VanDerWaalsContact CE1-CG2 3.5Å; H180-T184 WeakPolarHBondContact CE1-CG2 3.36Å; H180-T184 PolarHBondContact NE2-OG1 3.11Å; H180-T184 PolarHBondContact O-N 3.28Å; H180-T184 PolarHBondContact O-OG1 2.83Å; H180-H186 AromaticContact CE1-ND1 3.75Å; H180-H186 AromaticContact NE2-ND1 3.36Å; H180-H186 PolarHBondContact NE2-ND1 3.1Å; H180-C189 PolarHBondContact CD2-SG 2.78Å
181	L	70	Confident	71.3	Confident	22 Å²	22	66.4 Å²	66.4	12%	0.115	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-37.8	179.9	-65.5	175.2	0	0	0	111.8	A177 Q178 I179 N185 H186 T188	A177-L181 VanDerWaalsContact O-CG 3.27Å; A177-L181 WeakPolarHBondContact O-CG 3.2Å; A177-L181 PolarHBondContact O-N 3.4Å; Q178-L181 PolarHBondContact O-N 3Å; I179-L181 PolarHBondContact O-N 3.29Å; L181-N185 WeakPolarHBondContact O-CA 2.8Å; L181-N185 PolarHBondContact O-N 3.18Å; L181-H186 HydrophobicContact CD2-CB 3.98Å; L181-H186 VanDerWaalsContact CD2-O 3.3Å; L181-H186 WeakPolarHBondContact CD2-O 3.08Å; L181-T188 VanDerWaalsContact CD2-C 3.5Å; L181-T188 VanDerWaalsContact CD2-N 3.3Å
182	Q	78.8	Confident	70.3	Confident	137 Å²	137	69.1 Å²	69.1	64%	0.64	34%	0.342	S	S	*	.	H	α-helix	trans	-66.1	-39	174.9	-71.2	174.9	-0.2	0	0	112.6	Q178 I179 H180	Q178-Q182 WeakPolarHBondContact O-CG 3.17Å; Q178-Q182 PolarHBondContact O-N 3.3Å; I179-Q182 PolarHBondContact O-N 3.45Å; H180-Q182 VanDerWaalsContact C-N 3.31Å; H180-Q182 PolarHBondContact O-N 3.04Å
183	Q	82.4	Confident	69.2	Low	155 Å²	155	60.8 Å²	60.8	72%	0.724	31%	0.307	S	S	*	.	H	α-helix	trans	-77.1	-35.5	-177.6	-73.7	177.7	-14.6	0	0	113.5	I179 H180	I179-Q183 HydrophobicContact CG2-CG 4.32Å; I179-Q183 WeakPolarHBondContact O-CB 3.22Å; I179-Q183 WeakPolarHBondContact O-CG 3.47Å; I179-Q183 PolarHBondContact O-N 2.79Å; H180-Q183 PolarHBondContact O-N 2.89Å
184	T	71.9	Confident	68.1	Low	56 Å²	56	58.3 Å²	58.3	34%	0.344	29%	0.292	S	S	.	.	H	α-helix	trans	-98.3	-12.6	-174.6	57.8	0	0	0	0	113.6	H180 H186	H180-T184 VanDerWaalsContact CE1-CG2 3.5Å; H180-T184 WeakPolarHBondContact CE1-CG2 3.36Å; H180-T184 PolarHBondContact NE2-OG1 3.11Å; H180-T184 PolarHBondContact O-N 3.28Å; H180-T184 PolarHBondContact O-OG1 2.83Å; T184-H186 PolarHBondContact O-N 3.21Å; T184-H186 VanDerWaalsContact O-N 3.12Å; T184-H186 WeakPolarHBondContact OG1-CB 3.14Å; T184-H186 VanDerWaalsContact OG1-CG 3.24Å; T184-H186 PolarHBondContact OG1-N 2.78Å; T184-H186 PolarHBondContact OG1-ND1 2.77Å
185	N	71.3	Confident	66.9	Low	147 Å²	147	54.4 Å²	54.4	79%	0.786	27%	0.274	S	S	*	.			trans	57.3	16.6	-168.7	-113.9	3.2	0	0	0	113.3	L181	L181-N185 WeakPolarHBondContact O-CA 2.8Å; L181-N185 PolarHBondContact O-N 3.18Å
186	H	66	Low	65.5	Low	55 Å²	55	54.6 Å²	54.6	26%	0.255	27%	0.268	S	S	.	.			trans	-65.5	155.1	169.5	-67.3	165.6	0	0	0	110.1	C164 Y166 C167 H180 L181 T184	C164-H186 PolarHBondContact SG-ND1 3.2Å; Y166-H186 HydrophobicContact CD2-CB 3.95Å; Y166-H186 HydrophobicContact CG-CB 4.36Å; C167-H186 VanDerWaalsContact SG-CE1 3.52Å; H180-H186 AromaticContact CE1-ND1 3.75Å; H180-H186 AromaticContact NE2-ND1 3.36Å; H180-H186 PolarHBondContact NE2-ND1 3.1Å; L181-H186 HydrophobicContact CD2-CB 3.98Å; L181-H186 VanDerWaalsContact CD2-O 3.3Å; L181-H186 WeakPolarHBondContact CD2-O 3.08Å; T184-H186 PolarHBondContact O-N 3.21Å; T184-H186 VanDerWaalsContact O-N 3.12Å; T184-H186 WeakPolarHBondContact OG1-CB 3.14Å; T184-H186 VanDerWaalsContact OG1-CG 3.24Å; T184-H186 PolarHBondContact OG1-N 2.78Å; T184-H186 PolarHBondContact OG1-ND1 2.77Å
187	L	49.8	Very low	64.2	Low	119 Å²	119	57.6 Å²	57.6	62%	0.623	28%	0.277	S	S	*	.	S	Bend	trans	-83.7	-33.6	-171.6	-61.5	176.2	0	0	0	112.3	Y166	Y166-L187 HydrophobicContact CE2-CB 3.81Å; Y166-L187 HydrophobicContact CE2-CG 4.5Å
188	T	49.1	Very low	62.9	Low	3 Å²	3	61.7 Å²	61.7	2%	0.018	30%	0.302	C	S	.	.			trans	-153.1	144.1	-166	53.4	0	0	0	0	115.9	D165 Y166 L181 R212	D165-T188 PolarHBondContact N-O 2.99Å; D165-T188 WeakPolarHBondContact OD2-CB 3.03Å; D165-T188 PolarHBondContact OD2-OG1 2.64Å; Y166-T188 WeakPolarHBondContact CE2-OG1 2.97Å; L181-T188 VanDerWaalsContact CD2-C 3.5Å; L181-T188 VanDerWaalsContact CD2-N 3.3Å; T188-R212 HydrophobicContact CG2-CB 4.32Å; T188-R212 VanDerWaalsContact CG2-CD 3.49Å; T188-R212 HydrophobicContact CG2-CG 3.74Å; T188-R212 PolarHBondContact OG1-NH2 2.62Å
189	C	52.3	Low	61.8	Low	2 Å²	2	64.1 Å²	64.1	1%	0.014	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.1	163.1	-70.1	0	0	0	0	109.8	F162 I163 A177 H180	F162-C189 HydrophobicContact CB-CB 4.48Å; I163-C189 CarbonylContact O-C 3.55Å; I163-C189 WeakPolarHBondContact O-CA 2.97Å; A177-C189 HydrophobicContact CB-CB 3.73Å; H180-C189 PolarHBondContact CD2-SG 2.78Å
190	S	59	Low	60.1	Low	12 Å²	12	66.2 Å²	66.2	8%	0.084	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.8	-176.6	-68.1	0	0	0	0	110.8	F162 I163 D165 Y192	F162-S190 CarbonylContact C-O 3.55Å; F162-S190 VanDerWaalsContact CA-O 3.24Å; F162-S190 WeakPolarHBondContact CA-O 3.48Å; I163-S190 PolarHBondContact N-O 2.9Å; I163-S190 PolarHBondContact O-N 3.04Å; D165-S190 PolarHBondContact OD1-OG 2.7Å; S190-Y192 WeakPolarHBondContact O-CD2 3.19Å
191	K	61.7	Low	58.3	Low	52 Å²	52	72 Å²	72	23%	0.226	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	124.4	-179.3	-174.4	-177.4	179.1	-179.6	0	111.3	C160 F162 Q209	C160-K191 HydrophobicContact CB-CD 4.41Å; C160-K191 HydrophobicContact CB-CG 4.18Å; C160-K191 WeakPolarHBondContact SG-CE 3.24Å; F162-K191 HydrophobicContact CD1-CB 3.86Å; F162-K191 HydrophobicContact CD1-CG 4.27Å; F162-K191 HydrophobicContact CE1-CB 3.59Å; F162-K191 HydrophobicContact CE1-CD 4.04Å; F162-K191 HydrophobicContact CE1-CG 3.79Å; F162-K191 HydrophobicContact CE2-CD 4.42Å; F162-K191 HydrophobicContact CE2-CG 4.17Å; F162-K191 HydrophobicContact CZ-CB 4.08Å; F162-K191 HydrophobicContact CZ-CD 3.72Å; F162-K191 HydrophobicContact CZ-CG 3.72Å; K191-Q209 PolarHBondContact O-N 3.13Å
192	Y	56.8	Low	57	Low	58 Å²	58	77.7 Å²	77.7	23%	0.227	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	143.1	177.3	-66.5	-90.3	0	0	0	111	C160 Y161 I163 S190 E207 L208	C160-Y192 CarbonylContact C-O 3.48Å; C160-Y192 WeakPolarHBondContact CA-O 3.47Å; C160-Y192 WeakPolarHBondContact CB-O 3.35Å; Y161-Y192 VanDerWaalsContact CE2-CB 3.47Å; Y161-Y192 HydrophobicContact CE2-CD2 4.07Å; Y161-Y192 AromaticContact CE2-CG 3.95Å; Y161-Y192 HydrophobicContact CE2-CG 3.95Å; Y161-Y192 PolarHBondContact N-O 3.3Å; Y161-Y192 PolarHBondContact O-N 3.35Å; I163-Y192 HydrophobicContact CB-CD2 4.28Å; I163-Y192 HydrophobicContact CB-CE2 4Å; I163-Y192 HydrophobicContact CD1-CD2 3.98Å; I163-Y192 HydrophobicContact CD1-CE2 3.98Å; I163-Y192 HydrophobicContact CG1-CD2 3.96Å; I163-Y192 HydrophobicContact CG1-CE2 4.09Å; S190-Y192 WeakPolarHBondContact O-CD2 3.19Å; Y192-E207 WeakPolarHBondContact CA-O 3.46Å; Y192-L208 HydrophobicContact CE1-CB 4.25Å; Y192-L208 HydrophobicContact CE1-CD1 4.26Å; Y192-L208 HydrophobicContact CE2-CD1 4.48Å
193	S	59.6	Low	55.2	Low	2 Å²	2	76.4 Å²	76.4	1%	0.014	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.3	161.3	-75.7	0	0	0	0	108.9	C160 C195 S206 E207 Q209	C160-S193 PolarHBondContact SG-OG 2.84Å; S193-C195 PolarHBondContact O-N 2.75Å; S193-S206 WeakPolarHBondContact O-CA 3.44Å; S193-E207 PolarHBondContact N-O 3.46Å; S193-E207 PolarHBondContact O-N 2.77Å; S193-Q209 WeakPolarHBondContact OG-CG 3.38Å
194	P	55.5	Low	53.3	Low	14 Å²	14	77.8 Å²	77.8	9%	0.091	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	129.8	167.8	29.9	-31.7	0	0	0	109.1	Y161 Y196	Y161-P194 HydrophobicContact CD1-CG 4.44Å; Y161-P194 HydrophobicContact CE1-CB 4.22Å; Y161-P194 HydrophobicContact CE1-CG 4.21Å; P194-Y196 HydrophobicContact CB-CE2 3.88Å; P194-Y196 HydrophobicContact CG-CE2 4.14Å
195	C	51	Low	52.2	Low	9 Å²	9	77.6 Å²	77.6	6%	0.061	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.9	176.4	-66	0	0	0	0	108.7	S193 S205	S193-C195 PolarHBondContact O-N 2.75Å; C195-S205 PolarHBondContact N-O 3.2Å
196	Y	52.1	Low	51.1	Low	98 Å²	98	73.1 Å²	73.1	38%	0.384	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.3	174.9	-57	-86.3	0	0	0	109.6	C156 P194 D203	C156-Y196 PolarHBondContact N-O 2.93Å; C156-Y196 PolarHBondContact O-N 2.68Å; P194-Y196 HydrophobicContact CB-CE2 3.88Å; P194-Y196 HydrophobicContact CG-CE2 4.14Å; Y196-D203 WeakPolarHBondContact CD1-OD1 3.24Å; Y196-D203 VanDerWaalsContact CE1-OD1 3.26Å; Y196-D203 WeakPolarHBondContact CE1-OD1 3.33Å
197	Y	51.3	Low	50.4	Low	115 Å²	115	75.6 Å²	75.6	45%	0.451	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.6	171.2	-65.8	-79.1	0	0	0	108.7	Q155 N199	Q155-Y197 HydrophobicContact CG-CE1 4.24Å; Y197-N199 PolarHBondContact O-N 3.28Å
198	T	50.3	Low	50	Low	89 Å²	89	74.6 Å²	74.6	55%	0.546	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.6	-176.6	54.1	0	0	0	0	114.3	Y154	Y154-T198 PolarHBondContact O-N 2.96Å
199	N	51.2	Low	49.8	Very low	125 Å²	125	78.3 Å²	78.3	67%	0.668	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-17	-168.5	-70.9	2.5	0	0	0	114.6	Y197	Y197-N199 PolarHBondContact O-N 3.28Å
200	D	44.6	Very low	49.4	Very low	113 Å²	113	84.2 Å²	84.2	60%	0.604	44%	0.436	S	S	*	.			trans	-131.7	112.3	177.4	-69.8	-51.1	0	0	0	106.6	N202	D200-N202 PolarHBondContact O-N 3.43Å
201	C	40.3	Very low	48.5	Very low	129 Å²	129	89 Å²	89	87%	0.872	47%	0.467	S	S	*	.			trans	-67.1	37.8	171.5	-55.9	0	0	0	0	112.1
202	N	43.1	Very low	47.2	Very low	142 Å²	142	92.7 Å²	92.7	76%	0.759	48%	0.479	S	S	*	.			trans	-101.5	84.9	168.2	-77.6	-17.3	0	0	0	106.9	D200	D200-N202 PolarHBondContact O-N 3.43Å
203	D	39.7	Very low	46.2	Very low	110 Å²	110	91.4 Å²	91.4	59%	0.588	48%	0.478	S	S	*	.			trans	-48.2	154.4	164.5	-69.6	-36.6	0	0	0	110.5	Y196	Y196-D203 WeakPolarHBondContact CD1-OD1 3.24Å; Y196-D203 VanDerWaalsContact CE1-OD1 3.26Å; Y196-D203 WeakPolarHBondContact CE1-OD1 3.33Å
204	M	42.6	Very low	44.9	Very low	184 Å²	184	96.8 Å²	96.8	91%	0.906	51%	0.505	S	S	*	.			trans	116	44.8	160.1	-52.7	-116.3	-84.7	0	0	117.3
205	S	49.4	Very low	43.6	Very low	51 Å²	51	101.5 Å²	101.5	36%	0.357	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.1	154.3	76.3	0	0	0	0	111.4	C195	C195-S205 PolarHBondContact N-O 3.2Å
206	S	48.8	Very low	42.5	Very low	54 Å²	54	108.1 Å²	108.1	38%	0.378	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115	127.2	176.5	-57.8	0	0	0	0	109.1	Y161 S193	Y161-S206 WeakPolarHBondContact OH-CB 3.46Å; Y161-S206 PolarHBondContact OH-OG 2.93Å; S193-S206 WeakPolarHBondContact O-CA 3.44Å
207	E	49.5	Very low	41.3	Very low	106 Å²	106	108.6 Å²	108.6	50%	0.495	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.4	136	-175.9	-171.2	177.9	-169.7	0	0	110.7	Y192 S193 Q209	Y192-E207 WeakPolarHBondContact CA-O 3.46Å; S193-E207 PolarHBondContact N-O 3.46Å; S193-E207 PolarHBondContact O-N 2.77Å; E207-Q209 PolarHBondContact O-N 3.13Å; E207-Q209 PolarHBondContact OE2-NE2 3.44Å
208	L	43	Very low	40.2	Very low	99 Å²	99	108.8 Å²	108.8	52%	0.518	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.9	109	174.8	179.7	69	0	0	0	109.5	Y192	Y192-L208 HydrophobicContact CE1-CB 4.25Å; Y192-L208 HydrophobicContact CE1-CD1 4.26Å; Y192-L208 HydrophobicContact CE2-CD1 4.48Å
209	Q	43.8	Very low	39.2	Very low	80 Å²	80	111.9 Å²	111.9	37%	0.374	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.5	-40.4	-168.9	-72.6	-78.6	-41.4	0	0	114.2	K191 S193 E207	K191-Q209 PolarHBondContact O-N 3.13Å; S193-Q209 WeakPolarHBondContact OG-CG 3.38Å; E207-Q209 PolarHBondContact O-N 3.13Å; E207-Q209 PolarHBondContact OE2-NE2 3.44Å
210	K	45.3	Very low	38	Very low	127 Å²	127	116.2 Å²	116.2	55%	0.552	63%	0.629	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-143	133	-178	-71	-168.9	178	-171.6	0	111.1	R212	K210-R212 PolarHBondContact O-N 2.9Å
211	P	38.1	Very low	37.2	Very low	113 Å²	113	115.5 Å²	115.5	73%	0.734	63%	0.629	S	S	*	*			trans	-73.5	126.1	172.1	26.8	-29.9	0	0	0	111.8
212	R	35.5	Very low	36.8	Very low	128 Å²	128	120.8 Å²	120.8	48%	0.483	63%	0.632	S	S	.	*			trans	41.4	111.6	156.5	-62.1	169.6	171.5	-145.7	-7	118.2	D165 T188 K210 I214	D165-R212 IonicContact OD2-CZ 3.83Å; D165-R212 IonicContact OD2-NE 3.92Å; D165-R212 IonicContact OD2-NH2 3.09Å; D165-R212 PolarHBondContact OD2-NH2 3.33Å; D165-R212 VanDerWaalsContact OD2-NH2 3.09Å; T188-R212 HydrophobicContact CG2-CB 4.32Å; T188-R212 VanDerWaalsContact CG2-CD 3.49Å; T188-R212 HydrophobicContact CG2-CG 3.74Å; T188-R212 PolarHBondContact OG1-NH2 2.62Å; K210-R212 PolarHBondContact O-N 2.9Å; R212-I214 HydrophobicContact CB-CD1 4.08Å; R212-I214 HydrophobicContact CB-CG1 4.1Å
213	V	36.4	Very low	36.6	Very low	32 Å²	32	116.9 Å²	116.9	19%	0.194	63%	0.626	C	S	.	*			trans	-81.1	119.6	164.2	178.2	0	0	0	0	108.5	F162 E174 Q178	F162-V213 HydrophobicContact CE1-CG2 4.28Å; E174-V213 HydrophobicContact CG-CB 4.48Å; E174-V213 HydrophobicContact CG-CG1 4Å; E174-V213 HydrophobicContact CG-CG2 3.87Å; E174-V213 VanDerWaalsContact OE1-CG1 3.24Å; E174-V213 WeakPolarHBondContact OE1-CG1 3.46Å; E174-V213 WeakPolarHBondContact OE1-CG2 3.37Å; Q178-V213 HydrophobicContact CG-CG1 3.75Å; Q178-V213 VanDerWaalsContact NE2-CG1 3.27Å
214	I	32.4	Very low	36.8	Very low	114 Å²	114	116.7 Å²	116.7	59%	0.585	62%	0.617	S	S	*	*			trans	-133.1	127.4	-176	-56.3	177	0	0	0	109.5	R212	R212-I214 HydrophobicContact CB-CD1 4.08Å; R212-I214 HydrophobicContact CB-CG1 4.1Å
215	S	27.4	Very low	36.9	Very low	113 Å²	113	113.5 Å²	113.5	79%	0.79	59%	0.594	S	S	*	*			trans	-68.1	130.8	175.9	73.6	0	0	0	0	111
216	N	28.2	Very low	36.9	Very low	148 Å²	148	115.6 Å²	115.6	79%	0.791	61%	0.605	S	S	*	*			trans	-127.6	134.7	-168.2	179.4	18.3	0	0	0	110.1
217	S	27.1	Very low	36.8	Very low	108 Å²	108	115 Å²	115	76%	0.755	61%	0.607	S	S	*	*			trans	-141	130.4	166.5	60.4	0	0	0	0	112
218	S	28	Very low	36.9	Very low	119 Å²	119	112.6 Å²	112.6	83%	0.832	60%	0.598	S	S	*	*			trans	94	139.4	162.6	79	0	0	0	0	120.7
219	D	28	Very low	37.3	Very low	154 Å²	154	111.2 Å²	111.2	82%	0.824	59%	0.594	S	S	*	*			trans	-101.8	139.6	-157.6	-87.4	-51.9	0	0	0	114.3
220	R	26	Very low	37.9	Very low	216 Å²	216	107.8 Å²	107.8	82%	0.815	58%	0.578	S	S	*	*			trans	74.8	92.5	163.5	-57.2	-178.5	-167.9	-165.6	4	118.2
221	T	29.3	Very low	38.3	Very low	99 Å²	99	102.6 Å²	102.6	61%	0.607	56%	0.557	S	S	*	*			trans	-113	131.3	159.4	13.1	0	0	0	0	110.6	R225	T221-R225 PolarHBondContact O-NE 3.2Å; T221-R225 PolarHBondContact O-NH2 3.26Å
222	Y	30.3	Very low	39.2	Very low	240 Å²	240	97.7 Å²	97.7	94%	0.941	53%	0.525	S	S	*	.	S	Bend	trans	-85.2	134.9	162.2	-70.3	-85.3	0	0	0	108.6
223	G	40.2	Very low	40.5	Very low	60 Å²	60	91.6 Å²	91.6	62%	0.619	50%	0.502	S	S	*	.	S	Bend	trans	117.6	174	-166.9	0	0	0	0	0	110.9
224	W	44.4	Very low	41.9	Very low	106 Å²	106	92.6 Å²	92.6	40%	0.402	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-68.1	132.9	171.8	-49.4	118.5	0	0	0	109.6	D228 V230 L241 V266 V269	W224-D228 WeakPolarHBondContact CA-OD2 2.99Å; W224-D228 HydrophobicContact CE3-CB 4.46Å; W224-V230 HydrophobicContact CB-CG1 4.3Å; W224-V230 HydrophobicContact CD2-CG1 3.38Å; W224-V230 HydrophobicContact CE3-CG1 3.48Å; W224-V230 VanDerWaalsContact CE3-CG1 3.48Å; W224-V230 HydrophobicContact CG-CG1 3.77Å; W224-V230 HydrophobicContact CH2-CG1 4.27Å; W224-V230 HydrophobicContact CZ2-CG1 4.2Å; W224-V230 HydrophobicContact CZ3-CG1 3.93Å; W224-L241 HydrophobicContact CZ2-CD2 4.38Å; W224-V266 HydrophobicContact CB-CB 4.44Å; W224-V266 HydrophobicContact CB-CG1 4.38Å; W224-V266 HydrophobicContact CB-CG2 3.66Å; W224-V266 HydrophobicContact CG-CG2 4.24Å; W224-V269 WeakPolarHBondContact O-CG2 3.49Å
225	R	44.6	Very low	43.7	Very low	116 Å²	116	91.1 Å²	91.1	44%	0.438	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-92.6	154.4	173.9	-60.3	-179.7	-179.1	-173	1.4	109.8	T221 G227 D228 V266	T221-R225 PolarHBondContact O-NE 3.2Å; T221-R225 PolarHBondContact O-NH2 3.26Å; R225-G227 PolarHBondContact O-N 3.2Å; R225-D228 PolarHBondContact N-OD2 3.32Å; R225-D228 VanDerWaalsContact O-CB 3.31Å; R225-D228 WeakPolarHBondContact O-CB 3.4Å; R225-D228 PolarHBondContact O-N 3.17Å; R225-V266 VanDerWaalsContact O-CB 3.29Å; R225-V266 WeakPolarHBondContact O-CB 3.41Å
226	V	47.9	Very low	45.7	Very low	95 Å²	95	88.4 Å²	88.4	58%	0.576	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	125.8	166.9	177.5	0	0	0	0	108.6	V266 L267 V269	V226-V266 CarbonylContact C-O 3.57Å; V226-V266 VanDerWaalsContact CA-O 3.25Å; V226-V266 WeakPolarHBondContact CA-O 3.48Å; V226-L267 VanDerWaalsContact CG1-O 3.31Å; V226-L267 WeakPolarHBondContact CG1-O 3.2Å; V226-V269 HydrophobicContact CG2-CG2 3.9Å
227	G	48.3	Very low	47.2	Very low	41 Å²	41	83 Å²	83	42%	0.423	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.5	-17.3	-174.5	0	0	0	0	0	115	R225 T229 V266	R225-G227 PolarHBondContact O-N 3.2Å; G227-T229 PolarHBondContact O-N 2.91Å; G227-V266 PolarHBondContact N-O 3.45Å
228	D	49.9	Very low	48.5	Very low	56 Å²	56	81.5 Å²	81.5	30%	0.299	44%	0.443	S	S	.	.			trans	-62.8	132.5	178.5	-77.4	-6.4	0	0	0	110.5	W224 R225 K265 V266	W224-D228 WeakPolarHBondContact CA-OD2 2.99Å; W224-D228 HydrophobicContact CE3-CB 4.46Å; R225-D228 PolarHBondContact N-OD2 3.32Å; R225-D228 VanDerWaalsContact O-CB 3.31Å; R225-D228 WeakPolarHBondContact O-CB 3.4Å; R225-D228 PolarHBondContact O-N 3.17Å; D228-K265 CarbonylContact O-C 3.5Å; D228-K265 WeakPolarHBondContact O-CA 3.2Å; D228-V266 PolarHBondContact O-N 2.63Å
229	T	51.8	Low	49.7	Very low	71 Å²	71	78.5 Å²	78.5	44%	0.436	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	122.2	169	-56	0	0	0	0	108.9	G227 Y263 G264	G227-T229 PolarHBondContact O-N 2.91Å; T229-Y263 HydrophobicContact CG2-CD1 3.92Å; T229-Y263 HydrophobicContact CG2-CG 4.41Å; T229-G264 CarbonylContact C-O 3.51Å; T229-G264 WeakPolarHBondContact CA-O 3.42Å
230	V	56.2	Low	50.8	Low	8 Å²	8	72.8 Å²	72.8	5%	0.048	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	152.8	-179.2	-67.3	0	0	0	0	110.7	W224 P239 Y263 G264 V266	W224-V230 HydrophobicContact CB-CG1 4.3Å; W224-V230 HydrophobicContact CD2-CG1 3.38Å; W224-V230 HydrophobicContact CE3-CG1 3.48Å; W224-V230 VanDerWaalsContact CE3-CG1 3.48Å; W224-V230 HydrophobicContact CG-CG1 3.77Å; W224-V230 HydrophobicContact CH2-CG1 4.27Å; W224-V230 HydrophobicContact CZ2-CG1 4.2Å; W224-V230 HydrophobicContact CZ3-CG1 3.93Å; V230-P239 HydrophobicContact CB-CB 4.3Å; V230-P239 HydrophobicContact CG2-CB 4.16Å; V230-Y263 CarbonylContact O-C 3.5Å; V230-Y263 VanDerWaalsContact O-CA 3.28Å; V230-Y263 WeakPolarHBondContact O-CA 3.26Å; V230-G264 PolarHBondContact N-O 3.5Å; V230-G264 PolarHBondContact O-N 3.36Å; V230-V266 HydrophobicContact CB-CG2 4.4Å; V230-V266 HydrophobicContact CG1-CG2 3.56Å; V230-V266 HydrophobicContact CG2-CG2 3.91Å
231	V	55.1	Low	51.9	Low	18 Å²	18	69.2 Å²	69.2	11%	0.109	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.9	165.3	-178.7	0	0	0	0	107.7	P239 F240 K243 C246 F261 T262 Y263	V231-P239 CarbonylContact O-C 3.51Å; V231-P239 VanDerWaalsContact O-CA 3.27Å; V231-P239 WeakPolarHBondContact O-CA 3.47Å; V231-F240 PolarHBondContact O-N 3.37Å; V231-K243 HydrophobicContact CG1-CG 4.15Å; V231-K243 HydrophobicContact CG2-CG 4.05Å; V231-C246 HydrophobicContact CG1-CB 3.67Å; V231-F261 HydrophobicContact CG1-CB 4.02Å; V231-F261 HydrophobicContact CG1-CD2 4.05Å; V231-F261 HydrophobicContact CG1-CG 4.31Å; V231-T262 CarbonylContact C-O 3.53Å; V231-T262 WeakPolarHBondContact CA-O 3.34Å; V231-Y263 HydrophobicContact CG2-CD1 4.15Å; V231-Y263 HydrophobicContact CG2-CE1 3.83Å
232	C	55.2	Low	52.8	Low	9 Å²	9	67.5 Å²	67.5	6%	0.061	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	160.5	177.8	61.3	0	0	0	0	112.6	L238 P239 C246 T262	C232-L238 CarbonylContact C-O 3.49Å; C232-L238 WeakPolarHBondContact CA-O 3.21Å; C232-L238 WeakPolarHBondContact CB-O 2.9Å; C232-P239 HydrophobicContact CB-CB 4.45Å; C232-C246 PolarHBondContact O-SG 2.86Å; C232-T262 PolarHBondContact N-O 3.27Å; C232-T262 WeakPolarHBondContact O-CG2 3.27Å; C232-T262 PolarHBondContact O-N 2.87Å; C232-T262 VanDerWaalsContact O-O 3.14Å; C232-T262 VanDerWaalsContact SG-CG2 3.51Å
233	C	64.1	Low	53.8	Low	0 Å²	0	59 Å²	59	0%	0	34%	0.34	C	S	.	.			trans	-71.7	131.5	178.8	177.4	0	0	0	0	110	T235 C236 S237 L238 F240 C246 H250 H254	C233-T235 VanDerWaalsContact C-N 3.25Å; C233-T235 PolarHBondContact O-N 2.98Å; C233-C236 WeakPolarHBondContact CB-SG 3.23Å; C233-S237 WeakPolarHBondContact O-CA 3.41Å; C233-S237 PolarHBondContact O-N 3.05Å; C233-L238 PolarHBondContact N-O 2.87Å; C233-F240 HydrophobicContact CB-CE2 4.28Å; C233-C246 WeakPolarHBondContact CA-SG 3.35Å; C233-C246 PolarHBondContact N-SG 3.21Å; C233-H250 VanDerWaalsContact SG-CD2 3.6Å; C233-H254 PolarHBondContact SG-CD2 2.63Å; C233-H254 PolarHBondContact SG-NE2 2.97Å
234	P	65.4	Low	54.3	Low	54 Å²	54	62.5 Å²	62.5	35%	0.351	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.6	-178.6	26.4	-34.1	0	0	0	113.8	L260 T262	P234-L260 HydrophobicContact CG-CB 3.6Å; P234-L260 HydrophobicContact CG-CD1 4.35Å; P234-T262 HydrophobicContact CB-CG2 4.14Å
235	T	70.5	Confident	54.6	Low	82 Å²	82	62 Å²	62	50%	0.503	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-43.7	-179.3	-52.4	0	0	0	0	112.9	C233 H250 H254	C233-T235 VanDerWaalsContact C-N 3.25Å; C233-T235 PolarHBondContact O-N 2.98Å; T235-H250 PolarHBondContact OG1-CD2 2.98Å; T235-H250 PolarHBondContact OG1-NE2 3.02Å; T235-H254 HydrophobicContact CG2-CB 4.21Å; T235-H254 WeakPolarHBondContact CG2-ND1 3.43Å
236	C	68.9	Low	55.2	Low	56 Å²	56	56.4 Å²	56.4	38%	0.378	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-1.3	-176	68.3	0	0	0	0	113.9	C233 L238 H249	C233-C236 WeakPolarHBondContact CB-SG 3.23Å; C236-L238 PolarHBondContact O-N 3.5Å; C236-L238 WeakPolarHBondContact SG-CB 3.3Å; C236-H249 PolarHBondContact SG-NE2 3.03Å
237	S	59	Low	55.5	Low	34 Å²	34	52.5 Å²	52.5	24%	0.238	30%	0.303	C	S	.	.			trans	58	16.5	-179.7	-51.7	0	0	0	0	114.8	C233 P239	C233-S237 WeakPolarHBondContact O-CA 3.41Å; C233-S237 PolarHBondContact O-N 3.05Å; S237-P239 WeakPolarHBondContact O-CD 3.44Å
238	L	55.7	Low	56	Low	78 Å²	78	57 Å²	57	41%	0.408	31%	0.308	S	S	.	.			trans	-67.2	122.3	177.4	-177.4	66	0	0	0	109.9	C232 C233 C236 F240	C232-L238 CarbonylContact C-O 3.49Å; C232-L238 WeakPolarHBondContact CA-O 3.21Å; C232-L238 WeakPolarHBondContact CB-O 2.9Å; C233-L238 PolarHBondContact N-O 2.87Å; C236-L238 PolarHBondContact O-N 3.5Å; C236-L238 WeakPolarHBondContact SG-CB 3.3Å; L238-F240 HydrophobicContact CB-CE2 3.93Å; L238-F240 HydrophobicContact CB-CZ 4.44Å; L238-F240 HydrophobicContact CD2-CE1 4.35Å; L238-F240 HydrophobicContact CD2-CE2 3.81Å; L238-F240 HydrophobicContact CD2-CZ 3.45Å; L238-F240 VanDerWaalsContact CD2-CZ 3.45Å; L238-F240 HydrophobicContact CG-CE2 3.78Å; L238-F240 HydrophobicContact CG-CZ 3.9Å; L238-F240 WeakPolarHBondContact O-CD2 2.73Å; L238-F240 VanDerWaalsContact O-CE2 3.3Å; L238-F240 WeakPolarHBondContact O-CE2 3.39Å
239	P	52.1	Low	56.9	Low	56 Å²	56	56 Å²	56	36%	0.364	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	145.3	177.2	29.5	-35.8	0	0	0	112.4	V230 V231 C232 S237	V230-P239 HydrophobicContact CB-CB 4.3Å; V230-P239 HydrophobicContact CG2-CB 4.16Å; V231-P239 CarbonylContact O-C 3.51Å; V231-P239 VanDerWaalsContact O-CA 3.27Å; V231-P239 WeakPolarHBondContact O-CA 3.47Å; C232-P239 HydrophobicContact CB-CB 4.45Å; S237-P239 WeakPolarHBondContact O-CD 3.44Å
240	F	52.7	Low	57.3	Low	33 Å²	33	52.8 Å²	52.8	15%	0.145	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	159.2	178.5	-71.5	-87.9	0	0	0	110.9	V231 C233 L238 D242 M245 C246 H249	V231-F240 PolarHBondContact O-N 3.37Å; C233-F240 HydrophobicContact CB-CE2 4.28Å; L238-F240 HydrophobicContact CB-CE2 3.93Å; L238-F240 HydrophobicContact CB-CZ 4.44Å; L238-F240 HydrophobicContact CD2-CE1 4.35Å; L238-F240 HydrophobicContact CD2-CE2 3.81Å; L238-F240 HydrophobicContact CD2-CZ 3.45Å; L238-F240 VanDerWaalsContact CD2-CZ 3.45Å; L238-F240 HydrophobicContact CG-CE2 3.78Å; L238-F240 HydrophobicContact CG-CZ 3.9Å; L238-F240 WeakPolarHBondContact O-CD2 2.73Å; L238-F240 VanDerWaalsContact O-CE2 3.3Å; L238-F240 WeakPolarHBondContact O-CE2 3.39Å; F240-D242 VanDerWaalsContact C-N 3.28Å; F240-D242 PolarHBondContact O-N 2.98Å; F240-M245 HydrophobicContact CB-CB 4.31Å; F240-M245 HydrophobicContact CD1-CB 3.86Å; F240-M245 HydrophobicContact CG-CB 4.38Å; F240-C246 HydrophobicContact CB-CB 3.93Å; F240-C246 HydrophobicContact CD2-CB 3.74Å; F240-C246 HydrophobicContact CG-CB 3.96Å; F240-H249 HydrophobicContact CE1-CB 3.87Å; F240-H249 HydrophobicContact CE2-CB 3.88Å; F240-H249 AromaticContact CE2-CD2 3.68Å; F240-H249 AromaticContact CE2-CG 3.7Å; F240-H249 HydrophobicContact CZ-CB 3.32Å; F240-H249 AromaticContact CZ-CD2 3.68Å; F240-H249 AromaticContact CZ-CG 3.22Å; F240-H249 AromaticContact CZ-ND1 3.6Å
241	L	47.5	Very low	57.5	Low	141 Å²	141	53.1 Å²	53.1	74%	0.738	28%	0.284	S	S	*	.	S	Bend	trans	-66.4	-32.4	178.2	-64.5	172.9	0	0	0	112.1	W224 M245	W224-L241 HydrophobicContact CZ2-CD2 4.38Å; L241-M245 HydrophobicContact CB-SD 4.48Å
242	D	49.1	Very low	58	Low	64 Å²	64	57 Å²	57	34%	0.342	30%	0.303	S	S	.	.	S	Bend	trans	-149.9	171.7	-179.8	68.6	60.9	0	0	0	112.9	F240 I244 M245 C246	F240-D242 VanDerWaalsContact C-N 3.28Å; F240-D242 PolarHBondContact O-N 2.98Å; D242-I244 WeakPolarHBondContact OD1-CA 3.25Å; D242-I244 WeakPolarHBondContact OD1-CB 3.44Å; D242-I244 PolarHBondContact OD1-N 3.25Å; D242-M245 PolarHBondContact OD1-N 3.26Å; D242-C246 WeakPolarHBondContact O-CB 3.08Å; D242-C246 PolarHBondContact O-N 3.37Å
243	K	52.3	Low	58.7	Low	62 Å²	62	62.8 Å²	62.8	27%	0.27	33%	0.329	S	S	.	.	H	α-helix	trans	-66.9	-32.7	-178.7	-62.2	174.5	176.3	179.5	0	113.8	M74 V231 A247 F261 Y263	M74-K243 PolarHBondContact SD-NZ 3.2Å; M74-K243 VanDerWaalsContact SD-NZ 3.39Å; V231-K243 HydrophobicContact CG1-CG 4.15Å; V231-K243 HydrophobicContact CG2-CG 4.05Å; K243-A247 WeakPolarHBondContact O-CB 2.9Å; K243-A247 PolarHBondContact O-N 2.73Å; K243-F261 HydrophobicContact CB-CD1 4.04Å; K243-F261 HydrophobicContact CB-CD2 4.39Å; K243-F261 HydrophobicContact CB-CE1 4.11Å; K243-F261 HydrophobicContact CB-CE2 4.46Å; K243-F261 HydrophobicContact CB-CG 4.2Å; K243-F261 HydrophobicContact CB-CZ 4.34Å; K243-F261 HydrophobicContact CD-CD2 4.34Å; K243-F261 HydrophobicContact CD-CE1 4.02Å; K243-F261 HydrophobicContact CD-CE2 3.67Å; K243-F261 HydrophobicContact CD-CZ 3.5Å; K243-F261 VanDerWaalsContact CD-CZ 3.5Å; K243-F261 HydrophobicContact CG-CD1 4.33Å; K243-F261 HydrophobicContact CG-CD2 3.88Å; K243-F261 HydrophobicContact CG-CE1 4.19Å; K243-F261 HydrophobicContact CG-CE2 3.73Å; K243-F261 HydrophobicContact CG-CG 4.2Å; K243-F261 HydrophobicContact CG-CZ 3.9Å; K243-Y263 VanDerWaalsContact CE-CZ 3.48Å; K243-Y263 WeakPolarHBondContact CE-OH 3.37Å; K243-Y263 PolarHBondContact NZ-OH 3.21Å
244	I	49.1	Very low	58.9	Low	133 Å²	133	64.4 Å²	64.4	68%	0.682	34%	0.337	S	S	*	.	H	α-helix	trans	-69.4	-49.5	-177	-60.3	174.4	0	0	0	108.8	D242 C246 A247 Y248	D242-I244 WeakPolarHBondContact OD1-CA 3.25Å; D242-I244 WeakPolarHBondContact OD1-CB 3.44Å; D242-I244 PolarHBondContact OD1-N 3.25Å; I244-C246 VanDerWaalsContact C-N 3.3Å; I244-C246 PolarHBondContact O-N 2.8Å; I244-A247 PolarHBondContact O-N 2.8Å; I244-Y248 WeakPolarHBondContact O-CB 3.26Å; I244-Y248 PolarHBondContact O-N 3.43Å
245	M	51	Low	58.5	Low	94 Å²	94	67.1 Å²	67.1	46%	0.463	36%	0.364	S	S	.	.	H	α-helix	trans	-59.9	-42.5	176.4	-67.1	-169.3	75	0	0	111.7	F240 L241 D242 H249	F240-M245 HydrophobicContact CB-CB 4.31Å; F240-M245 HydrophobicContact CD1-CB 3.86Å; F240-M245 HydrophobicContact CG-CB 4.38Å; L241-M245 HydrophobicContact CB-SD 4.48Å; D242-M245 PolarHBondContact OD1-N 3.26Å; M245-H249 WeakPolarHBondContact O-CB 3.17Å; M245-H249 PolarHBondContact O-N 3.22Å
246	C	57.5	Low	58	Low	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-62.9	-49	178.1	-173.7	0	0	0	0	112.6	V231 C232 C233 F240 D242 I244 Y248 H249 H250 F261	V231-C246 HydrophobicContact CG1-CB 3.67Å; C232-C246 PolarHBondContact O-SG 2.86Å; C233-C246 WeakPolarHBondContact CA-SG 3.35Å; C233-C246 PolarHBondContact N-SG 3.21Å; F240-C246 HydrophobicContact CB-CB 3.93Å; F240-C246 HydrophobicContact CD2-CB 3.74Å; F240-C246 HydrophobicContact CG-CB 3.96Å; D242-C246 WeakPolarHBondContact O-CB 3.08Å; D242-C246 PolarHBondContact O-N 3.37Å; I244-C246 VanDerWaalsContact C-N 3.3Å; I244-C246 PolarHBondContact O-N 2.8Å; C246-Y248 VanDerWaalsContact C-N 3.34Å; C246-Y248 PolarHBondContact O-N 3.03Å; C246-H249 WeakPolarHBondContact O-CB 3.39Å; C246-H249 PolarHBondContact O-N 2.97Å; C246-H250 PolarHBondContact O-N 3.24Å; C246-F261 HydrophobicContact CB-CB 3.8Å; C246-F261 WeakPolarHBondContact SG-CB 3.2Å
247	A	55.2	Low	57.5	Low	12 Å²	12	72.9 Å²	72.9	10%	0.099	38%	0.381	C	S	.	.	H	α-helix	trans	-64.3	-40.2	-179.4	0	0	0	0	0	111.9	K243 I244 H250 C251 F259 L260	K243-A247 WeakPolarHBondContact O-CB 2.9Å; K243-A247 PolarHBondContact O-N 2.73Å; I244-A247 PolarHBondContact O-N 2.8Å; A247-H250 PolarHBondContact O-N 2.78Å; A247-C251 PolarHBondContact O-N 3.48Å; A247-F259 HydrophobicContact CB-CB 4Å; A247-F259 HydrophobicContact CB-CD1 4.33Å; A247-F259 WeakPolarHBondContact O-CD1 3.3Å; A247-L260 WeakPolarHBondContact CA-O 3.49Å
248	Y	57.6	Low	57.4	Low	137 Å²	137	75.5 Å²	75.5	54%	0.537	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-44.5	175.1	-167.1	-102.1	0	0	0	111.8	I244 C246 H250 C251 L252 F259	I244-Y248 WeakPolarHBondContact O-CB 3.26Å; I244-Y248 PolarHBondContact O-N 3.43Å; C246-Y248 VanDerWaalsContact C-N 3.34Å; C246-Y248 PolarHBondContact O-N 3.03Å; Y248-H250 VanDerWaalsContact C-N 3.32Å; Y248-H250 PolarHBondContact O-N 2.82Å; Y248-C251 PolarHBondContact O-N 3.39Å; Y248-L252 HydrophobicContact CD1-CD1 3.71Å; Y248-L252 HydrophobicContact CD1-CG 4.32Å; Y248-L252 HydrophobicContact CE1-CD1 3.15Å; Y248-L252 HydrophobicContact CE1-CG 4.05Å; Y248-L252 HydrophobicContact CE2-CD1 4.42Å; Y248-L252 WeakPolarHBondContact O-CG 3.18Å; Y248-L252 PolarHBondContact O-N 3.45Å; Y248-F259 HydrophobicContact CD2-CE1 4.1Å
249	H	68.8	Low	57.6	Low	35 Å²	35	76.3 Å²	76.3	16%	0.162	39%	0.389	C	S	.	.	H	α-helix	trans	-56.5	-47.2	172.2	166.4	84.8	0	0	0	111.3	C236 F240 M245 C246 C251 L252 Q253 H254	C236-H249 PolarHBondContact SG-NE2 3.03Å; F240-H249 HydrophobicContact CE1-CB 3.87Å; F240-H249 HydrophobicContact CE2-CB 3.88Å; F240-H249 AromaticContact CE2-CD2 3.68Å; F240-H249 AromaticContact CE2-CG 3.7Å; F240-H249 HydrophobicContact CZ-CB 3.32Å; F240-H249 AromaticContact CZ-CD2 3.68Å; F240-H249 AromaticContact CZ-CG 3.22Å; F240-H249 AromaticContact CZ-ND1 3.6Å; M245-H249 WeakPolarHBondContact O-CB 3.17Å; M245-H249 PolarHBondContact O-N 3.22Å; C246-H249 WeakPolarHBondContact O-CB 3.39Å; C246-H249 PolarHBondContact O-N 2.97Å; H249-C251 PolarHBondContact O-N 3.45Å; H249-L252 PolarHBondContact O-N 3.11Å; H249-Q253 VanDerWaalsContact O-CB 3.28Å; H249-Q253 WeakPolarHBondContact O-CB 3.38Å; H249-Q253 WeakPolarHBondContact O-CG 3.17Å; H249-Q253 PolarHBondContact O-N 3.35Å; H249-H254 AromaticContact CD2-NE2 3.94Å; H249-H254 AromaticContact NE2-NE2 3.36Å; H249-H254 PolarHBondContact NE2-NE2 3.22Å
250	H	60	Low	57.6	Low	3 Å²	3	76.7 Å²	76.7	1%	0.014	39%	0.388	C	S	.	.	H	α-helix	trans	-62.9	-43.6	-177.5	179.7	-77.8	0	0	0	112.1	C233 T235 C246 A247 Y248 H254 Q258 L260	C233-H250 VanDerWaalsContact SG-CD2 3.6Å; T235-H250 PolarHBondContact OG1-CD2 2.98Å; T235-H250 PolarHBondContact OG1-NE2 3.02Å; C246-H250 PolarHBondContact O-N 3.24Å; A247-H250 PolarHBondContact O-N 2.78Å; Y248-H250 VanDerWaalsContact C-N 3.32Å; Y248-H250 PolarHBondContact O-N 2.82Å; H250-H254 AromaticContact CD2-CD2 3.64Å; H250-H254 AromaticContact CG-CD2 3.95Å; H250-H254 WeakPolarHBondContact O-CB 3.5Å; H250-H254 PolarHBondContact O-N 3.19Å; H250-H254 VanDerWaalsContact O-N 3.1Å; H250-Q258 PolarHBondContact ND1-O 2.98Å; H250-L260 VanDerWaalsContact CB-O 3.23Å; H250-L260 WeakPolarHBondContact CB-O 3.34Å; H250-L260 VanDerWaalsContact CE1-CD1 3.45Å; H250-L260 WeakPolarHBondContact CE1-CD1 3.1Å
251	C	61.9	Low	58	Low	14 Å²	14	78.1 Å²	78.1	10%	0.095	39%	0.394	C	S	.	.	H	α-helix	trans	-61.5	-44.4	178.6	-177.7	0	0	0	0	112.1	A247 Y248 H249 Q258 F259	A247-C251 PolarHBondContact O-N 3.48Å; Y248-C251 PolarHBondContact O-N 3.39Å; H249-C251 PolarHBondContact O-N 3.45Å; C251-Q258 VanDerWaalsContact CA-O 3.27Å; C251-Q258 WeakPolarHBondContact CA-O 3.36Å; C251-Q258 PolarHBondContact N-O 2.61Å; C251-F259 HydrophobicContact CB-CD1 3.65Å; C251-F259 HydrophobicContact CB-CD2 4.31Å; C251-F259 HydrophobicContact CB-CE1 3.58Å; C251-F259 HydrophobicContact CB-CE2 4.26Å; C251-F259 HydrophobicContact CB-CG 4.03Å; C251-F259 HydrophobicContact CB-CZ 3.91Å; C251-F259 WeakPolarHBondContact SG-CZ 3.45Å
252	L	64.6	Low	58.4	Low	99 Å²	99	73.7 Å²	73.7	52%	0.518	37%	0.373	S	S	.	.	H	α-helix	trans	-78.6	-35.4	-176.6	-70.1	-173	0	0	0	114.5	Y248 H249	Y248-L252 HydrophobicContact CD1-CD1 3.71Å; Y248-L252 HydrophobicContact CD1-CG 4.32Å; Y248-L252 HydrophobicContact CE1-CD1 3.15Å; Y248-L252 HydrophobicContact CE1-CG 4.05Å; Y248-L252 HydrophobicContact CE2-CD1 4.42Å; Y248-L252 WeakPolarHBondContact O-CG 3.18Å; Y248-L252 PolarHBondContact O-N 3.45Å; H249-L252 PolarHBondContact O-N 3.11Å
253	Q	69.4	Low	59	Low	131 Å²	131	76.5 Å²	76.5	61%	0.612	38%	0.38	S	S	*	.	H	α-helix	trans	-98.6	-17.8	-169.3	-60.2	-59.6	-54.6	0	0	113.2	H249	H249-Q253 VanDerWaalsContact O-CB 3.28Å; H249-Q253 WeakPolarHBondContact O-CB 3.38Å; H249-Q253 WeakPolarHBondContact O-CG 3.17Å; H249-Q253 PolarHBondContact O-N 3.35Å
254	H	68.9	Low	58.9	Low	35 Å²	35	74.5 Å²	74.5	16%	0.162	38%	0.377	C	S	.	.	S	Bend	trans	-117.1	142	-178	-54.4	-54.5	0	0	0	111.2	C233 T235 H249 H250 K256 N257	C233-H254 PolarHBondContact SG-CD2 2.63Å; C233-H254 PolarHBondContact SG-NE2 2.97Å; T235-H254 HydrophobicContact CG2-CB 4.21Å; T235-H254 WeakPolarHBondContact CG2-ND1 3.43Å; H249-H254 AromaticContact CD2-NE2 3.94Å; H249-H254 AromaticContact NE2-NE2 3.36Å; H249-H254 PolarHBondContact NE2-NE2 3.22Å; H250-H254 AromaticContact CD2-CD2 3.64Å; H250-H254 AromaticContact CG-CD2 3.95Å; H250-H254 WeakPolarHBondContact O-CB 3.5Å; H250-H254 PolarHBondContact O-N 3.19Å; H250-H254 VanDerWaalsContact O-N 3.1Å; H254-K256 PolarHBondContact O-N 3.22Å; H254-N257 PolarHBondContact O-N 2.89Å
255	A	57.4	Low	59	Low	110 Å²	110	74.7 Å²	74.7	91%	0.909	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	4.4	-166.1	0	0	0	0	0	116.5
256	K	59.1	Low	58.8	Low	152 Å²	152	71.2 Å²	71.2	66%	0.661	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-5.8	-175.6	-66.1	-171.9	178.3	-177	0	114.3	H254 Q258	H254-K256 PolarHBondContact O-N 3.22Å; K256-Q258 HydrophobicContact CB-CB 4.45Å; K256-Q258 HydrophobicContact CB-CG 4.32Å; K256-Q258 WeakPolarHBondContact O-CG 3.22Å; K256-Q258 PolarHBondContact O-N 2.86Å
257	N	58.8	Low	58.1	Low	107 Å²	107	76 Å²	76	57%	0.572	38%	0.382	S	S	*	.			trans	48.7	25.7	-177.2	-67.6	-25.1	0	0	0	113.8	H254	H254-N257 PolarHBondContact O-N 2.89Å
258	Q	56.6	Low	57.6	Low	89 Å²	89	81.6 Å²	81.6	42%	0.416	41%	0.409	S	S	.	.			trans	-99.2	141	-179.4	-76.4	171.7	-18.6	0	0	108.9	H250 C251 K256 L260	H250-Q258 PolarHBondContact ND1-O 2.98Å; C251-Q258 VanDerWaalsContact CA-O 3.27Å; C251-Q258 WeakPolarHBondContact CA-O 3.36Å; C251-Q258 PolarHBondContact N-O 2.61Å; K256-Q258 HydrophobicContact CB-CB 4.45Å; K256-Q258 HydrophobicContact CB-CG 4.32Å; K256-Q258 WeakPolarHBondContact O-CG 3.22Å; K256-Q258 PolarHBondContact O-N 2.86Å; Q258-L260 HydrophobicContact CB-CD1 4.19Å; Q258-L260 HydrophobicContact CB-CD2 4.17Å; Q258-L260 HydrophobicContact CB-CG 3.81Å; Q258-L260 PolarHBondContact O-N 3.33Å
259	F	60.8	Low	56.8	Low	95 Å²	95	78.5 Å²	78.5	42%	0.417	40%	0.404	S	S	.	.			trans	-87.3	84.2	175.2	-71.5	-83	0	0	0	109.4	A247 Y248 C251	A247-F259 HydrophobicContact CB-CB 4Å; A247-F259 HydrophobicContact CB-CD1 4.33Å; A247-F259 WeakPolarHBondContact O-CD1 3.3Å; Y248-F259 HydrophobicContact CD2-CE1 4.1Å; C251-F259 HydrophobicContact CB-CD1 3.65Å; C251-F259 HydrophobicContact CB-CD2 4.31Å; C251-F259 HydrophobicContact CB-CE1 3.58Å; C251-F259 HydrophobicContact CB-CE2 4.26Å; C251-F259 HydrophobicContact CB-CG 4.03Å; C251-F259 HydrophobicContact CB-CZ 3.91Å; C251-F259 WeakPolarHBondContact SG-CZ 3.45Å
260	L	52.3	Low	55.2	Low	64 Å²	64	83.5 Å²	83.5	34%	0.335	43%	0.425	S	S	.	.			trans	-113	145	-176.8	-52.6	-177.3	0	0	0	112.6	P234 A247 H250 Q258	P234-L260 HydrophobicContact CG-CB 3.6Å; P234-L260 HydrophobicContact CG-CD1 4.35Å; A247-L260 WeakPolarHBondContact CA-O 3.49Å; H250-L260 VanDerWaalsContact CB-O 3.23Å; H250-L260 WeakPolarHBondContact CB-O 3.34Å; H250-L260 VanDerWaalsContact CE1-CD1 3.45Å; H250-L260 WeakPolarHBondContact CE1-CD1 3.1Å; Q258-L260 HydrophobicContact CB-CD1 4.19Å; Q258-L260 HydrophobicContact CB-CD2 4.17Å; Q258-L260 HydrophobicContact CB-CG 3.81Å; Q258-L260 PolarHBondContact O-N 3.33Å
261	F	61.3	Low	53.9	Low	63 Å²	63	89.1 Å²	89.1	28%	0.276	46%	0.459	S	S	.	.			trans	-139	160.9	166.7	70.4	-88.3	0	0	0	109.2	V231 K243 C246 Y263	V231-F261 HydrophobicContact CG1-CB 4.02Å; V231-F261 HydrophobicContact CG1-CD2 4.05Å; V231-F261 HydrophobicContact CG1-CG 4.31Å; K243-F261 HydrophobicContact CB-CD1 4.04Å; K243-F261 HydrophobicContact CB-CD2 4.39Å; K243-F261 HydrophobicContact CB-CE1 4.11Å; K243-F261 HydrophobicContact CB-CE2 4.46Å; K243-F261 HydrophobicContact CB-CG 4.2Å; K243-F261 HydrophobicContact CB-CZ 4.34Å; K243-F261 HydrophobicContact CD-CD2 4.34Å; K243-F261 HydrophobicContact CD-CE1 4.02Å; K243-F261 HydrophobicContact CD-CE2 3.67Å; K243-F261 HydrophobicContact CD-CZ 3.5Å; K243-F261 VanDerWaalsContact CD-CZ 3.5Å; K243-F261 HydrophobicContact CG-CD1 4.33Å; K243-F261 HydrophobicContact CG-CD2 3.88Å; K243-F261 HydrophobicContact CG-CE1 4.19Å; K243-F261 HydrophobicContact CG-CE2 3.73Å; K243-F261 HydrophobicContact CG-CG 4.2Å; K243-F261 HydrophobicContact CG-CZ 3.9Å; C246-F261 HydrophobicContact CB-CB 3.8Å; C246-F261 WeakPolarHBondContact SG-CB 3.2Å; F261-Y263 HydrophobicContact CE2-CD2 4.46Å; F261-Y263 AromaticContact CE2-CE2 3.98Å; F261-Y263 HydrophobicContact CE2-CE2 3.98Å
262	T	55.9	Low	52.2	Low	48 Å²	48	95.6 Å²	95.6	29%	0.294	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	169.4	168.9	-169	0	0	0	0	110	V231 C232 P234	V231-T262 CarbonylContact C-O 3.53Å; V231-T262 WeakPolarHBondContact CA-O 3.34Å; C232-T262 PolarHBondContact N-O 3.27Å; C232-T262 WeakPolarHBondContact O-CG2 3.27Å; C232-T262 PolarHBondContact O-N 2.87Å; C232-T262 VanDerWaalsContact O-O 3.14Å; C232-T262 VanDerWaalsContact SG-CG2 3.51Å; P234-T262 HydrophobicContact CB-CG2 4.14Å
263	Y	61	Low	50.3	Low	124 Å²	124	100 Å²	100	49%	0.486	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.8	168.3	-69.8	-81.5	0	0	0	109.1	T229 V230 V231 K243 F261	T229-Y263 HydrophobicContact CG2-CD1 3.92Å; T229-Y263 HydrophobicContact CG2-CG 4.41Å; V230-Y263 CarbonylContact O-C 3.5Å; V230-Y263 VanDerWaalsContact O-CA 3.28Å; V230-Y263 WeakPolarHBondContact O-CA 3.26Å; V231-Y263 HydrophobicContact CG2-CD1 4.15Å; V231-Y263 HydrophobicContact CG2-CE1 3.83Å; K243-Y263 VanDerWaalsContact CE-CZ 3.48Å; K243-Y263 WeakPolarHBondContact CE-OH 3.37Å; K243-Y263 PolarHBondContact NZ-OH 3.21Å; F261-Y263 HydrophobicContact CE2-CD2 4.46Å; F261-Y263 AromaticContact CE2-CE2 3.98Å; F261-Y263 HydrophobicContact CE2-CE2 3.98Å
264	G	50.3	Low	48.3	Very low	20 Å²	20	99.4 Å²	99.4	21%	0.206	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	163.9	171.8	0	0	0	0	0	110.6	T229 V230	T229-G264 CarbonylContact C-O 3.51Å; T229-G264 WeakPolarHBondContact CA-O 3.42Å; V230-G264 PolarHBondContact N-O 3.5Å; V230-G264 PolarHBondContact O-N 3.36Å
265	K	50.9	Low	46.2	Very low	137 Å²	137	106.3 Å²	106.3	60%	0.596	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.8	161.1	-75.8	-170.3	175.9	-176.6	0	109.1	D228 L267	D228-K265 CarbonylContact O-C 3.5Å; D228-K265 WeakPolarHBondContact O-CA 3.2Å; K265-L267 PolarHBondContact O-N 2.99Å; K265-L267 VanDerWaalsContact O-N 3.16Å
266	V	46.8	Very low	44.8	Very low	21 Å²	21	109.6 Å²	109.6	13%	0.127	54%	0.536	C	S	.	.			trans	-68.5	113.9	172.6	175.1	0	0	0	0	108.5	W224 R225 V226 G227 D228 V230 V269	W224-V266 HydrophobicContact CB-CB 4.44Å; W224-V266 HydrophobicContact CB-CG1 4.38Å; W224-V266 HydrophobicContact CB-CG2 3.66Å; W224-V266 HydrophobicContact CG-CG2 4.24Å; R225-V266 VanDerWaalsContact O-CB 3.29Å; R225-V266 WeakPolarHBondContact O-CB 3.41Å; V226-V266 CarbonylContact C-O 3.57Å; V226-V266 VanDerWaalsContact CA-O 3.25Å; V226-V266 WeakPolarHBondContact CA-O 3.48Å; G227-V266 PolarHBondContact N-O 3.45Å; D228-V266 PolarHBondContact O-N 2.63Å; V230-V266 HydrophobicContact CB-CG2 4.4Å; V230-V266 HydrophobicContact CG1-CG2 3.56Å; V230-V266 HydrophobicContact CG2-CG2 3.91Å; V266-V269 HydrophobicContact CG1-CG2 3.74Å
267	L	43.6	Very low	43.4	Very low	101 Å²	101	107 Å²	107	53%	0.529	53%	0.534	S	S	.	.			trans	-89.9	-31.4	-179.1	-59.9	178.1	0	0	0	112.2	V226 K265	V226-L267 VanDerWaalsContact CG1-O 3.31Å; V226-L267 WeakPolarHBondContact CG1-O 3.2Å; K265-L267 PolarHBondContact O-N 2.99Å; K265-L267 VanDerWaalsContact O-N 3.16Å
268	I	43.4	Very low	41.7	Very low	129 Å²	129	108.8 Å²	108.8	66%	0.662	54%	0.543	S	S	*	.			trans	-144.1	131.4	-177.5	-56	175.4	0	0	0	107.9	K270	I268-K270 HydrophobicContact CG2-CG 4.43Å
269	V	40.7	Very low	40.4	Very low	72 Å²	72	111.1 Å²	111.1	44%	0.436	56%	0.557	S	S	.	*			trans	-100	107	167.7	-176.4	0	0	0	0	107.3	W224 V226 V266 V271	W224-V269 WeakPolarHBondContact O-CG2 3.49Å; V226-V269 HydrophobicContact CG2-CG2 3.9Å; V266-V269 HydrophobicContact CG1-CG2 3.74Å; V269-V271 PolarHBondContact O-N 3.45Å
270	K	35.4	Very low	38.7	Very low	139 Å²	139	116 Å²	116	60%	0.604	58%	0.579	S	S	*	*			trans	-78.2	113.1	166.5	-72.2	-173.3	-176.9	176.8	0	107.3	I268 L272 Q299 T300	I268-K270 HydrophobicContact CG2-CG 4.43Å; K270-L272 PolarHBondContact O-N 3.25Å; K270-L272 VanDerWaalsContact O-N 3.09Å; K270-Q299 PolarHBondContact NZ-O 3.5Å; K270-T300 PolarHBondContact NZ-O 3.2Å
271	V	32.5	Very low	37.4	Very low	121 Å²	121	119.3 Å²	119.3	73%	0.733	60%	0.596	S	S	*	*			trans	-60.6	114.9	166.2	-179.5	0	0	0	0	106.6	V269 K273	V269-V271 PolarHBondContact O-N 3.45Å; V271-K273 VanDerWaalsContact C-N 3.31Å; V271-K273 PolarHBondContact O-N 3.32Å
272	L	27.1	Very low	35.8	Very low	151 Å²	151	127.1 Å²	127.1	79%	0.791	62%	0.623	S	S	*	*			trans	-61.6	97.7	167.2	-94.6	153.7	0	0	0	107.4	K270 I274	K270-L272 PolarHBondContact O-N 3.25Å; K270-L272 VanDerWaalsContact O-N 3.09Å; L272-I274 VanDerWaalsContact C-N 3.29Å; L272-I274 PolarHBondContact O-N 3.49Å; L272-I274 VanDerWaalsContact O-N 3.07Å
273	K	25.3	Very low	34.7	Very low	192 Å²	192	132.2 Å²	132.2	84%	0.835	65%	0.647	S	S	*	*			trans	-71.5	94	158.9	-81.4	-172.7	176.8	-178.7	0	106.2	V271 Q275	V271-K273 VanDerWaalsContact C-N 3.31Å; V271-K273 PolarHBondContact O-N 3.32Å; K273-Q275 VanDerWaalsContact C-N 3.32Å; K273-Q275 PolarHBondContact O-N 3.13Å
274	I	26.4	Very low	33	Very low	118 Å²	118	133.4 Å²	133.4	61%	0.605	66%	0.66	S	S	*	*			trans	-64.2	102.6	163.7	-59.8	174	0	0	0	104.8	L272 E276	L272-I274 VanDerWaalsContact C-N 3.29Å; L272-I274 PolarHBondContact O-N 3.49Å; L272-I274 VanDerWaalsContact O-N 3.07Å; I274-E276 PolarHBondContact O-N 3.48Å
275	Q	23.9	Very low	31.7	Very low	179 Å²	179	135.4 Å²	135.4	84%	0.836	68%	0.681	S	S	*	*			trans	-57.5	134.3	162	-75.4	-173.2	-17.2	0	0	106.5	K273	K273-Q275 VanDerWaalsContact C-N 3.32Å; K273-Q275 PolarHBondContact O-N 3.13Å
276	E	27.9	Very low	30.9	Very low	180 Å²	180	137.4 Å²	137.4	84%	0.841	70%	0.697	S	S	*	*			trans	-35.4	138.1	-172.7	-72.7	176.7	146.7	0	0	113	I274 L278	I274-E276 PolarHBondContact O-N 3.48Å; E276-L278 PolarHBondContact O-N 2.79Å
277	P	30.3	Very low	30.3	Very low	96 Å²	96	143.7 Å²	143.7	62%	0.623	73%	0.729	S	S	*	*			trans	-56.6	129.3	-174.4	23.6	-31.6	0	0	0	109	I279	P277-I279 HydrophobicContact CG-CG1 4.42Å; P277-I279 PolarHBondContact O-N 3Å
278	L	23.6	Very low	29.3	Very low	145 Å²	145	147 Å²	147	76%	0.759	74%	0.742	S	S	*	*			trans	-55.8	83.2	164	-80	161.1	0	0	0	108.4	E276 K280 L281	E276-L278 PolarHBondContact O-N 2.79Å; L278-K280 PolarHBondContact O-N 3.4Å; L278-L281 PolarHBondContact O-N 2.84Å
279	I	30.1	Very low	28.6	Very low	139 Å²	139	149.2 Å²	149.2	71%	0.713	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-61.5	-4.6	169.6	-73.6	170.4	0	0	0	110.4	P277	P277-I279 HydrophobicContact CG-CG1 4.42Å; P277-I279 PolarHBondContact O-N 3Å
280	K	24.1	Very low	27.9	Very low	198 Å²	198	151.9 Å²	151.9	86%	0.861	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-83.2	0.1	175.6	-80.3	-170.5	174.5	-178.5	0	116.8	L278	L278-K280 PolarHBondContact O-N 3.4Å
281	L	24.2	Very low	27.3	Very low	133 Å²	133	149 Å²	149	70%	0.696	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-104.7	20.8	172.4	-90.1	158.7	0	0	0	114.4	L278 I283	L278-L281 PolarHBondContact O-N 2.84Å; L281-I283 VanDerWaalsContact C-N 3.29Å; L281-I283 PolarHBondContact O-N 3.24Å
282	R	29.1	Very low	27	Very low	227 Å²	227	150.5 Å²	150.5	86%	0.857	77%	0.774	S	S	*	*	S	Bend	trans	-79.2	3.7	175.4	-124.2	-176.7	-173.9	-175.5	2	115.6
283	I	32.5	Very low	26.9	Very low	155 Å²	155	151 Å²	151	80%	0.795	77%	0.772	S	S	*	*	S	Bend	trans	-127.3	-14.4	-170.7	-65	-175.2	0	0	0	116.3	L281	L281-I283 VanDerWaalsContact C-N 3.29Å; L281-I283 PolarHBondContact O-N 3.24Å
284	I	25.2	Very low	26.9	Very low	149 Å²	149	149.9 Å²	149.9	76%	0.764	77%	0.77	S	S	*	*	S	Bend	trans	-141.4	116.1	179.2	-50.7	178.6	0	0	0	110.9
285	G	23.8	Very low	26.8	Very low	62 Å²	62	151.4 Å²	151.4	64%	0.639	78%	0.778	S	S	*	*			trans	118.7	44.6	155.2	0	0	0	0	0	117	L287	G285-L287 PolarHBondContact O-N 3.33Å
286	L	33.3	Very low	26.8	Very low	179 Å²	179	147.9 Å²	147.9	94%	0.937	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	28.1	162.9	-136.7	131.8	0	0	0	113.2
287	L	33.3	Very low	26.5	Very low	152 Å²	152	148 Å²	148	80%	0.796	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.2	4.5	-168.6	-99.2	156.1	0	0	0	116.8	G285	G285-L287 PolarHBondContact O-N 3.33Å
288	H	23.6	Very low	26.3	Very low	171 Å²	171	151.7 Å²	151.7	79%	0.792	78%	0.78	S	S	*	*			trans	-134.4	45.2	172.9	-82	-63.4	0	0	0	113.7	V290	H288-V290 PolarHBondContact O-N 3.29Å
289	L	28	Very low	26.2	Very low	175 Å²	175	152.9 Å²	152.9	92%	0.916	78%	0.781	S	S	*	*			trans	-85.9	10.6	170.8	-118	147.2	0	0	0	113.4
290	V	26.4	Very low	25.9	Very low	129 Å²	129	151 Å²	151	78%	0.782	78%	0.777	S	S	*	*	S	Bend	trans	-107.8	120.5	164.1	-177.1	0	0	0	0	107	H288	H288-V290 PolarHBondContact O-N 3.29Å
291	A	22.7	Very low	26	Very low	78 Å²	78	147.1 Å²	147.1	65%	0.645	76%	0.764	S	S	*	*	S	Bend	trans	90.5	94.6	178	0	0	0	0	0	117
292	I	26	Very low	25.9	Very low	152 Å²	152	151.3 Å²	151.3	78%	0.779	77%	0.77	S	S	*	*				59.7	132.7	118.6	-60.3	164	0	0	0	117.9
293	H	25.9	Very low	25.7	Very low	162 Å²	162	144.3 Å²	144.3	75%	0.75	75%	0.749	S	S	*	*			trans	69.9	96.5	164.3	-100.3	-99.9	0	0	0	115.9
294	H	24.5	Very low	25.6	Very low	169 Å²	169	146 Å²	146	78%	0.782	77%	0.766	S	S	*	*				173	140.6	117.8	-98.1	-79.2	0	0	0	110.3
295	L	23.8	Very low	25.6	Very low	149 Å²	149	145.8 Å²	145.8	78%	0.78	77%	0.766	S	S	*	*			trans	83.2	71.9	161	-60.3	151.1	0	0	0	117.8
296	C	24.4	Very low	25.7	Very low	106 Å²	106	150.2 Å²	150.2	72%	0.716	77%	0.773	S	S	*	*				-135.4	108.1	121.5	-97.6	0	0	0	0	107.2	F298	C296-F298 HydrophobicContact CB-CE2 4.22Å; C296-F298 VanDerWaalsContact O-CD2 3.23Å; C296-F298 WeakPolarHBondContact O-CD2 3.3Å; C296-F298 PolarHBondContact O-N 2.84Å
297	Q	22.3	Very low	25.3	Very low	183 Å²	183	148.6 Å²	148.6	86%	0.855	76%	0.764	S	S	*	*			trans	-64.7	104.3	173.7	-77.6	-179.1	-30.2	0	0	108.8	Q299	Q297-Q299 PolarHBondContact O-N 3.39Å
298	F	25	Very low	24.8	Very low	173 Å²	173	148.4 Å²	148.4	76%	0.759	76%	0.762	S	S	*	*			trans	-81	101.9	171.1	-73.7	-87	0	0	0	109.3	C296 T300	C296-F298 HydrophobicContact CB-CE2 4.22Å; C296-F298 VanDerWaalsContact O-CD2 3.23Å; C296-F298 WeakPolarHBondContact O-CD2 3.3Å; C296-F298 PolarHBondContact O-N 2.84Å; F298-T300 PolarHBondContact O-N 3.5Å
299	Q	22.7	Very low	24.9	Very low	169 Å²	169	147 Å²	147	79%	0.79	76%	0.76	S	S	*	*			trans	-87.4	97.8	160.2	-82.7	-173	-16	0	0	109.5	K270 Q297	K270-Q299 PolarHBondContact NZ-O 3.5Å; Q297-Q299 PolarHBondContact O-N 3.39Å
300	T	22.4	Very low	24.7	Very low	101 Å²	101	145.1 Å²	145.1	62%	0.62	75%	0.75	S	S	*	*			trans	39.6	103.5	158.8	-38.2	0	0	0	0	116.4	K270 F298 R302	K270-T300 PolarHBondContact NZ-O 3.2Å; F298-T300 PolarHBondContact O-N 3.5Å; T300-R302 HydrophobicContact CG2-CG 4.05Å
301	I	25.9	Very low	24.5	Very low	116 Å²	116	146.3 Å²	146.3	60%	0.595	75%	0.747	S	S	*	*			trans	-91.8	112.2	155.9	-66.2	173.5	0	0	0	105.5	I303	I301-I303 HydrophobicContact CG2-CD1 3.46Å; I301-I303 VanDerWaalsContact CG2-CD1 3.46Å; I301-I303 HydrophobicContact CG2-CG1 3.59Å
302	R	22.5	Very low	24.7	Very low	220 Å²	220	151.5 Å²	151.5	83%	0.83	76%	0.755	S	S	*	*			trans	-93.8	109.6	164.2	-84.2	-172.4	174.1	178.5	-1.8	107.2	T300	T300-R302 HydrophobicContact CG2-CG 4.05Å
303	I	26.3	Very low	24.6	Very low	81 Å²	81	151.5 Å²	151.5	42%	0.415	75%	0.753	S	S	.	*			trans	-105.6	123.8	166.3	-71.4	160.6	0	0	0	104.8	I301	I301-I303 HydrophobicContact CG2-CD1 3.46Å; I301-I303 VanDerWaalsContact CG2-CD1 3.46Å; I301-I303 HydrophobicContact CG2-CG1 3.59Å
304	V	29.3	Very low	24.4	Very low	189 Å²	189	150.5 Å²	150.5	100%	1.145	75%	0.753	S	S	*	*			trans	-111	0	167.9	-177.2	0	0	0	0	106.7

Retrieved 304 of 304 residues in 149 ms (Link to these results)

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