G4V782_SCHMA Loading...

mitogen-activated protein kinase kinase

AlphaFold DB , UniProt , Accession G4V782, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 328 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.1	Very low	36.1	Very low	234 Å²	234	143.9 Å²	143.9	100%	1.153	83%	0.829	S	S	*	*				0	129.6	0	-66.4	-145.9	171	0	0	107.7
2	P	40.4	Very low	35.2	Very low	132 Å²	132	145.5 Å²	145.5	86%	0.857	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-74.9	138.6	-174.3	22.7	-16.5	0	0	0	110.5	S4	P2-S4 PolarHBondContact O-N 3.25Å
3	V	43.1	Very low	34.7	Very low	140 Å²	140	143.1 Å²	143.1	85%	0.848	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-66.7	117.2	-177.6	-175.6	0	0	0	0	108.4	N5	V3-N5 PolarHBondContact O-N 2.94Å
4	S	40.8	Very low	34.3	Very low	96 Å²	96	141.3 Å²	141.3	67%	0.671	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-65.9	124.8	177.1	54.4	0	0	0	0	110.1	P2 V6	P2-S4 PolarHBondContact O-N 3.25Å; S4-V6 PolarHBondContact O-N 3.27Å
5	N	40.2	Very low	34	Very low	161 Å²	161	147.5 Å²	147.5	86%	0.861	82%	0.815	S	S	*	*			trans	-53.4	108.8	169.1	-78.9	-21.5	0	0	0	109.5	V3 E7	V3-N5 PolarHBondContact O-N 2.94Å; N5-E7 PolarHBondContact O-N 2.75Å
6	V	37.8	Very low	33.8	Very low	123 Å²	123	146 Å²	146	75%	0.745	81%	0.805	S	S	*	*			trans	-78.1	104	168.6	179.7	0	0	0	0	106.4	S4 V8	S4-V6 PolarHBondContact O-N 3.27Å; V6-V8 PolarHBondContact O-N 3.48Å; V6-V8 VanDerWaalsContact O-N 3.14Å
7	E	35.3	Very low	33.7	Very low	180 Å²	180	144.2 Å²	144.2	84%	0.841	80%	0.802	S	S	*	*			trans	-58.4	112.9	168.9	-78	177.8	150.7	0	0	108.7	N5 P9	N5-E7 PolarHBondContact O-N 2.75Å; E7-P9 WeakPolarHBondContact O-CD 3.23Å
8	V	32.7	Very low	34	Very low	129 Å²	129	142.2 Å²	142.2	78%	0.782	79%	0.794	S	S	*	*			trans	-76.6	117.8	171.5	-175.1	0	0	0	0	106.9	V6 S10	V6-V8 PolarHBondContact O-N 3.48Å; V6-V8 VanDerWaalsContact O-N 3.14Å; V8-S10 PolarHBondContact O-N 2.83Å
9	P	30	Very low	34.2	Very low	109 Å²	109	143 Å²	143	71%	0.708	80%	0.795	S	S	*	*			trans	-60.3	131.6	-178.4	-19.2	30.6	0	0	0	110	E7 L11	E7-P9 WeakPolarHBondContact O-CD 3.23Å; P9-L11 PolarHBondContact O-N 2.9Å
10	S	31.5	Very low	34.8	Very low	109 Å²	109	139.9 Å²	139.9	76%	0.762	77%	0.773	S	S	*	*			trans	-63	109.1	172.8	50.1	0	0	0	0	109.1	V8 Q12	V8-S10 PolarHBondContact O-N 2.83Å; S10-Q12 VanDerWaalsContact C-N 3.31Å; S10-Q12 PolarHBondContact O-N 3.09Å
11	L	26.8	Very low	35.7	Very low	170 Å²	170	133.5 Å²	133.5	89%	0.89	74%	0.738	S	S	*	*			trans	-62.6	92.7	170.9	-84.3	145.2	0	0	0	108.4	P9	P9-L11 PolarHBondContact O-N 2.9Å
12	Q	24.9	Very low	36.9	Very low	163 Å²	163	124.4 Å²	124.4	76%	0.762	69%	0.694	S	S	*	*			trans	-66.1	128.5	163.5	-73.8	-168.2	-16.7	0	0	107.8	S10 V14	S10-Q12 VanDerWaalsContact C-N 3.31Å; S10-Q12 PolarHBondContact O-N 3.09Å; Q12-V14 PolarHBondContact O-N 2.81Å
13	P	28.1	Very low	38.4	Very low	114 Å²	114	121.2 Å²	121.2	74%	0.74	69%	0.685	S	S	*	*			trans	-65.8	112.4	176.1	18.7	-18.9	0	0	0	107.8	R15	P13-R15 VanDerWaalsContact C-N 3.34Å; P13-R15 PolarHBondContact O-N 3.08Å
14	V	30.1	Very low	40.3	Very low	118 Å²	118	115.8 Å²	115.8	72%	0.715	65%	0.651	S	S	*	*			trans	-59	101.6	169.9	-178.5	0	0	0	0	106.2	Q12 D16	Q12-V14 PolarHBondContact O-N 2.81Å; V14-D16 HydrophobicContact CG1-CB 4.33Å; V14-D16 PolarHBondContact O-N 3.36Å
15	R	29.6	Very low	42.6	Very low	234 Å²	234	117.1 Å²	117.1	88%	0.883	64%	0.644	S	S	*	*			trans	-74	66.3	167.2	-73.9	-178	174.9	-177.3	-1.5	107.4	P13	P13-R15 VanDerWaalsContact C-N 3.34Å; P13-R15 PolarHBondContact O-N 3.08Å
16	D	29.8	Very low	45	Very low	124 Å²	124	114.8 Å²	114.8	66%	0.663	63%	0.628	S	S	*	*			trans	-61.4	127.8	162.6	-86.2	-30.3	0	0	0	106.3	V14 V18	V14-D16 HydrophobicContact CG1-CB 4.33Å; V14-D16 PolarHBondContact O-N 3.36Å; D16-V18 PolarHBondContact O-N 3.48Å
17	P	32.9	Very low	47.7	Very low	115 Å²	115	113.3 Å²	113.3	75%	0.747	61%	0.614	S	S	*	*			trans	-56.1	112.4	177	23.3	-30.7	0	0	0	105.8	L19	P17-L19 VanDerWaalsContact C-N 3.31Å; P17-L19 PolarHBondContact O-N 2.76Å
18	V	39.5	Very low	50.4	Low	108 Å²	108	105.8 Å²	105.8	66%	0.655	58%	0.582	S	S	*	*			trans	-33.2	96.5	-172.5	-179.9	0	0	0	0	108.5	D16 F20	D16-V18 PolarHBondContact O-N 3.48Å; V18-F20 VanDerWaalsContact C-N 3.27Å; V18-F20 PolarHBondContact O-N 2.7Å
19	L	37	Very low	53.2	Low	158 Å²	158	108 Å²	108	83%	0.827	58%	0.581	S	S	*	*			trans	-62.5	104.7	176.9	-164.9	90.1	0	0	0	102.6	P17 P21	P17-L19 VanDerWaalsContact C-N 3.31Å; P17-L19 PolarHBondContact O-N 2.76Å; L19-P21 VanDerWaalsContact O-N 3.08Å
20	F	46.4	Very low	56.1	Low	81 Å²	81	103.1 Å²	103.1	36%	0.355	55%	0.549	S	S	.	.			trans	-48.9	126.2	-169.8	-81.5	-93.5	0	0	0	107.7	V18 L22 G23 L24 E26 F110	V18-F20 VanDerWaalsContact C-N 3.27Å; V18-F20 PolarHBondContact O-N 2.7Å; F20-L22 PolarHBondContact O-N 3.13Å; F20-L22 VanDerWaalsContact O-N 3.1Å; F20-G23 PolarHBondContact O-N 2.82Å; F20-L24 WeakPolarHBondContact CB-O 3.42Å; F20-L24 WeakPolarHBondContact CD1-O 3.37Å; F20-L24 WeakPolarHBondContact CG-O 3.36Å; F20-E26 HydrophobicContact CE1-CG 4.36Å; F20-F110 HydrophobicContact CD1-CB 4.04Å; F20-F110 AromaticContact CD1-CD1 3.39Å; F20-F110 HydrophobicContact CD1-CD1 3.39Å; F20-F110 HydrophobicContact CD1-CE1 4.17Å; F20-F110 HydrophobicContact CD1-CG 4.03Å; F20-F110 AromaticContact CE1-CD1 3.83Å; F20-F110 HydrophobicContact CE1-CD1 3.83Å
21	P	54.5	Low	58.8	Low	5 Å²	5	102.5 Å²	102.5	3%	0.032	54%	0.537	C	S	.	.	G	3₁₀ helix	trans	-49.1	129.2	178.1	-27.8	37.4	0	0	0	108	L19 G23 L24 V77 F110	L19-P21 VanDerWaalsContact O-N 3.08Å; P21-G23 PolarHBondContact O-N 3.42Å; P21-L24 PolarHBondContact O-N 3.32Å; P21-V77 HydrophobicContact CB-CG1 4.07Å; P21-V77 HydrophobicContact CG-CG1 4.14Å; P21-F110 HydrophobicContact CB-CD2 4.28Å; P21-F110 HydrophobicContact CB-CE2 4.03Å; P21-F110 VanDerWaalsContact CD-CZ 3.4Å; P21-F110 HydrophobicContact CG-CD2 4.03Å; P21-F110 HydrophobicContact CG-CE1 4.29Å; P21-F110 HydrophobicContact CG-CE2 3.41Å; P21-F110 VanDerWaalsContact CG-CE2 3.41Å; P21-F110 HydrophobicContact CG-CZ 3.52Å
22	L	62.9	Low	61.7	Low	44 Å²	44	95.6 Å²	95.6	23%	0.23	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	73.3	3.4	173.3	-43	168.1	0	0	0	116	F20 L24 R84 I87 S88 V115	F20-L22 PolarHBondContact O-N 3.13Å; F20-L22 VanDerWaalsContact O-N 3.1Å; L22-L24 HydrophobicContact CB-CD1 4.18Å; L22-L24 HydrophobicContact CB-CG 4.01Å; L22-L24 HydrophobicContact CD1-CD1 3.94Å; L22-L24 PolarHBondContact O-N 3.1Å; L22-R84 HydrophobicContact CD2-CB 3.54Å; L22-R84 HydrophobicContact CD2-CG 4.05Å; L22-R84 WeakPolarHBondContact CD2-O 3.48Å; L22-I87 HydrophobicContact CD1-CB 3.72Å; L22-I87 HydrophobicContact CD1-CG2 3.46Å; L22-I87 VanDerWaalsContact CD1-CG2 3.46Å; L22-S88 WeakPolarHBondContact CB-OG 3.35Å; L22-S88 WeakPolarHBondContact CD2-OG 3.32Å; L22-V115 HydrophobicContact CD1-CG2 3.76Å
23	G	72	Confident	64.5	Low	64 Å²	64	91 Å²	91	66%	0.66	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	74.4	9.9	-173.8	0	0	0	0	0	114.1	F20 P21	F20-G23 PolarHBondContact O-N 2.82Å; P21-G23 PolarHBondContact O-N 3.42Å
24	L	83.7	Confident	67.1	Low	26 Å²	26	91.4 Å²	91.4	14%	0.136	50%	0.502	C	S	.	.			trans	-72.7	154.9	174.4	-63.2	176.5	0	0	0	110.7	F20 P21 L22 L91 F110 V115	F20-L24 WeakPolarHBondContact CB-O 3.42Å; F20-L24 WeakPolarHBondContact CD1-O 3.37Å; F20-L24 WeakPolarHBondContact CG-O 3.36Å; P21-L24 PolarHBondContact O-N 3.32Å; L22-L24 HydrophobicContact CB-CD1 4.18Å; L22-L24 HydrophobicContact CB-CG 4.01Å; L22-L24 HydrophobicContact CD1-CD1 3.94Å; L22-L24 PolarHBondContact O-N 3.1Å; L24-L91 HydrophobicContact CD1-CD1 3.65Å; L24-L91 HydrophobicContact CD2-CD1 3.97Å; L24-L91 HydrophobicContact CG-CD1 4.35Å; L24-F110 HydrophobicContact CB-CB 3.81Å; L24-V115 HydrophobicContact CD1-CB 4.45Å; L24-V115 HydrophobicContact CD1-CG1 3.7Å; L24-V115 HydrophobicContact CD1-CG2 3.97Å
25	K	88.7	Confident	69.9	Low	124 Å²	124	92.1 Å²	92.1	54%	0.539	50%	0.498	S	S	.	.			trans	-124.4	173.4	176.6	-65.2	178.3	-179.3	-179.8	0	109.3	E27 L109 F110	K25-E27 WeakPolarHBondContact CB-O 3.38Å; K25-E27 PolarHBondContact O-N 2.76Å; K25-L109 CarbonylContact O-C 3.56Å; K25-L109 WeakPolarHBondContact O-CA 3.35Å; K25-F110 PolarHBondContact O-N 3.47Å
26	E	91.7	Very high	72.8	Confident	112 Å²	112	87.8 Å²	87.8	52%	0.523	49%	0.492	S	S	.	.	S	Bend	trans	-66.3	-8.2	168.9	-69.2	178.5	-168.1	0	0	112.6	F20 H40 A41 F110	F20-E26 HydrophobicContact CE1-CG 4.36Å; E26-H40 CarbonylContact O-C 3.48Å; E26-H40 WeakPolarHBondContact O-CA 3.37Å; E26-A41 PolarHBondContact O-N 2.62Å; E26-F110 WeakPolarHBondContact CA-O 3.34Å; E26-F110 VanDerWaalsContact CG-O 3.26Å; E26-F110 WeakPolarHBondContact CG-O 3.22Å; E26-F110 PolarHBondContact N-O 3.38Å
27	E	93.6	Very high	75.8	Confident	93 Å²	93	82.9 Å²	82.9	44%	0.435	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.7	176.5	70.7	-173.2	-155.7	0	0	111.8	K25 T38 I39 H40	K25-E27 WeakPolarHBondContact CB-O 3.38Å; K25-E27 PolarHBondContact O-N 2.76Å; E27-T38 HydrophobicContact CB-CG2 4.34Å; E27-I39 CarbonylContact C-O 3.55Å; E27-I39 WeakPolarHBondContact CA-O 3.2Å; E27-H40 WeakPolarHBondContact CB-ND1 3.36Å; E27-H40 IonicContact OE2-CE1 3.41Å; E27-H40 PolarHBondContact OE2-CE1 2.93Å; E27-H40 IonicContact OE2-ND1 3.76Å; E27-H40 PolarHBondContact OE2-ND1 3.29Å
28	A	92.9	Very high	78.8	Confident	21 Å²	21	80.3 Å²	80.3	17%	0.174	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	152.8	173.4	0	0	0	0	0	110.4	T38 I39 C107 L109	A28-T38 WeakPolarHBondContact O-CA 3.2Å; A28-I39 HydrophobicContact CB-CG2 4.5Å; A28-I39 PolarHBondContact N-O 2.86Å; A28-I39 WeakPolarHBondContact O-CG2 3.49Å; A28-I39 PolarHBondContact O-N 3.35Å; A28-C107 HydrophobicContact CB-CB 3.78Å; A28-L109 HydrophobicContact CB-CD2 3.58Å
29	K	90.9	Very high	81.4	Confident	176 Å²	176	75.2 Å²	75.2	77%	0.765	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	138.4	167.8	-66.5	-173.6	178.1	-173.1	0	109.1	I37	K29-I37 WeakPolarHBondContact CA-O 2.97Å
30	M	90.3	Very high	84.2	Confident	7 Å²	7	70.1 Å²	70.1	3%	0.034	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	153.2	174	67.3	-173.1	-167.8	0	0	111	I37 I39 F70 Y106 C107 V118	M30-I37 HydrophobicContact CE-CD1 3.5Å; M30-I37 VanDerWaalsContact CE-CD1 3.5Å; M30-I37 HydrophobicContact CE-CG1 4.05Å; M30-I37 HydrophobicContact CG-CD1 4.33Å; M30-I37 HydrophobicContact CG-CG1 3.83Å; M30-I37 PolarHBondContact N-O 3.44Å; M30-I37 PolarHBondContact O-N 3.47Å; M30-I39 HydrophobicContact CE-CB 4.07Å; M30-I39 HydrophobicContact CE-CD1 3.6Å; M30-I39 HydrophobicContact CE-CG1 4.46Å; M30-I39 HydrophobicContact CE-CG2 4.14Å; M30-I39 HydrophobicContact CG-CG2 4.34Å; M30-I39 HydrophobicContact SD-CB 4.38Å; M30-I39 HydrophobicContact SD-CD1 4.4Å; M30-I39 HydrophobicContact SD-CG2 3.79Å; M30-F70 HydrophobicContact CE-CE1 3.86Å; M30-F70 HydrophobicContact CE-CE2 3.83Å; M30-F70 HydrophobicContact CE-CZ 3.29Å; M30-Y106 VanDerWaalsContact SD-CB 3.51Å; M30-Y106 HydrophobicContact SD-CG 4.18Å; M30-C107 HydrophobicContact CB-CB 4.37Å; M30-V118 HydrophobicContact SD-CG1 4.4Å
31	L	88	Confident	86.5	Confident	96 Å²	96	66.7 Å²	66.7	50%	0.503	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.1	173.9	-175.1	69.6	0	0	0	109.1	G33	L31-G33 WeakPolarHBondContact CG-O 3.42Å
32	L	87.4	Confident	88.5	Confident	25 Å²	25	74.3 Å²	74.3	13%	0.131	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	100.6	174	-175	64	0	0	0	109.2	S34 E35 I37 H68 F70 Y106	L32-S34 PolarHBondContact O-N 3.27Å; L32-S34 VanDerWaalsContact O-N 3.09Å; L32-E35 PolarHBondContact N-O 3.46Å; L32-E35 PolarHBondContact O-N 2.96Å; L32-E35 VanDerWaalsContact O-N 3.12Å; L32-I37 HydrophobicContact CB-CD1 3.8Å; L32-I37 HydrophobicContact CB-CG1 4.16Å; L32-I37 HydrophobicContact CD2-CD1 3.75Å; L32-I37 HydrophobicContact CG-CD1 4.41Å; L32-H68 HydrophobicContact CD2-CB 3.85Å; L32-F70 HydrophobicContact CD1-CE1 3.97Å; L32-F70 HydrophobicContact CD1-CZ 4Å; L32-F70 HydrophobicContact CD2-CZ 4.22Å; L32-Y106 HydrophobicContact CD1-CE1 4.3Å
33	G	83.9	Confident	90.1	Very high	65 Å²	65	73.9 Å²	73.9	67%	0.67	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	-107.1	-170.2	0	0	0	0	0	110.5	L31	L31-G33 WeakPolarHBondContact CG-O 3.42Å
34	S	83.4	Confident	91.3	Very high	124 Å²	124	71.4 Å²	71.4	87%	0.867	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	4.1	177	-53.6	0	0	0	0	113	L32	L32-S34 PolarHBondContact O-N 3.27Å; L32-S34 VanDerWaalsContact O-N 3.09Å
35	E	88.2	Confident	92	Very high	133 Å²	133	78.3 Å²	78.3	62%	0.621	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.6	-174.8	-64.2	-172	166.4	0	0	111.4	L32 I37	L32-E35 PolarHBondContact N-O 3.46Å; L32-E35 PolarHBondContact O-N 2.96Å; L32-E35 VanDerWaalsContact O-N 3.12Å; E35-I37 HydrophobicContact CB-CG2 4.35Å; E35-I37 PolarHBondContact O-N 3.47Å
36	D	91.4	Very high	92.3	Very high	143 Å²	143	77.9 Å²	77.9	77%	0.765	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	115.7	169	-76.9	-35.4	0	0	0	109.5
37	I	93.1	Very high	92.5	Very high	20 Å²	20	76.9 Å²	76.9	10%	0.103	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.5	177.5	64.1	171.4	0	0	0	110.8	K29 M30 L32 E35 T66	K29-I37 WeakPolarHBondContact CA-O 2.97Å; M30-I37 HydrophobicContact CE-CD1 3.5Å; M30-I37 VanDerWaalsContact CE-CD1 3.5Å; M30-I37 HydrophobicContact CE-CG1 4.05Å; M30-I37 HydrophobicContact CG-CD1 4.33Å; M30-I37 HydrophobicContact CG-CG1 3.83Å; M30-I37 PolarHBondContact N-O 3.44Å; M30-I37 PolarHBondContact O-N 3.47Å; L32-I37 HydrophobicContact CB-CD1 3.8Å; L32-I37 HydrophobicContact CB-CG1 4.16Å; L32-I37 HydrophobicContact CD2-CD1 3.75Å; L32-I37 HydrophobicContact CG-CD1 4.41Å; E35-I37 HydrophobicContact CB-CG2 4.35Å; E35-I37 PolarHBondContact O-N 3.47Å; I37-T66 HydrophobicContact CD1-CG2 4.11Å
38	T	94.6	Very high	92.5	Very high	62 Å²	62	74.2 Å²	74.2	38%	0.38	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.8	166.8	-56.7	0	0	0	0	107.4	E27 A28	E27-T38 HydrophobicContact CB-CG2 4.34Å; A28-T38 WeakPolarHBondContact O-CA 3.2Å
39	I	94.7	Very high	92.5	Very high	0 Å²	0	77.8 Å²	77.8	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.9	176.4	-172.9	156.1	0	0	0	109.2	E27 A28 M30 L44 H63 F70 L109 V118	E27-I39 CarbonylContact C-O 3.55Å; E27-I39 WeakPolarHBondContact CA-O 3.2Å; A28-I39 HydrophobicContact CB-CG2 4.5Å; A28-I39 PolarHBondContact N-O 2.86Å; A28-I39 WeakPolarHBondContact O-CG2 3.49Å; A28-I39 PolarHBondContact O-N 3.35Å; M30-I39 HydrophobicContact CE-CB 4.07Å; M30-I39 HydrophobicContact CE-CD1 3.6Å; M30-I39 HydrophobicContact CE-CG1 4.46Å; M30-I39 HydrophobicContact CE-CG2 4.14Å; M30-I39 HydrophobicContact CG-CG2 4.34Å; M30-I39 HydrophobicContact SD-CB 4.38Å; M30-I39 HydrophobicContact SD-CD1 4.4Å; M30-I39 HydrophobicContact SD-CG2 3.79Å; I39-L44 HydrophobicContact CD1-CD1 4.19Å; I39-L44 HydrophobicContact CD1-CD2 3.78Å; I39-L44 HydrophobicContact CD1-CG 3.98Å; I39-L44 HydrophobicContact CG1-CG 4.36Å; I39-H63 HydrophobicContact CD1-CB 4.18Å; I39-F70 HydrophobicContact CD1-CD2 4.48Å; I39-F70 HydrophobicContact CD1-CE2 4.17Å; I39-L109 HydrophobicContact CG2-CD1 4.34Å; I39-L109 HydrophobicContact CG2-CD2 4.4Å; I39-V118 HydrophobicContact CD1-CG1 4.5Å
40	H	96.6	Very high	92.4	Very high	52 Å²	52	71.7 Å²	71.7	24%	0.241	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143.3	170.7	-55.9	-100.1	0	0	0	109.9	E26 E27 K42 D43	E26-H40 CarbonylContact O-C 3.48Å; E26-H40 WeakPolarHBondContact O-CA 3.37Å; E27-H40 WeakPolarHBondContact CB-ND1 3.36Å; E27-H40 IonicContact OE2-CE1 3.41Å; E27-H40 PolarHBondContact OE2-CE1 2.93Å; E27-H40 IonicContact OE2-ND1 3.76Å; E27-H40 PolarHBondContact OE2-ND1 3.29Å; H40-K42 HydrophobicContact CB-CG 3.92Å; H40-K42 PolarHBondContact O-N 2.77Å; H40-D43 WeakPolarHBondContact CB-OD2 3.48Å; H40-D43 IonicContact CD2-OD2 2.93Å; H40-D43 PolarHBondContact CD2-OD2 3.36Å; H40-D43 IonicContact CG-OD2 3.87Å; H40-D43 WeakPolarHBondContact O-CB 3.2Å; H40-D43 PolarHBondContact O-N 2.84Å
41	A	94.4	Very high	92.1	Very high	9 Å²	9	72.6 Å²	72.6	7%	0.074	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-57.6	-35.4	178.8	0	0	0	0	0	112.4	E26 D43 L44 L109 C111 L116	E26-A41 PolarHBondContact O-N 2.62Å; A41-D43 PolarHBondContact O-N 3.5Å; A41-L44 PolarHBondContact O-N 3.1Å; A41-L109 HydrophobicContact CB-CB 4.48Å; A41-L109 HydrophobicContact CB-CD1 4.18Å; A41-C111 HydrophobicContact CB-CB 3.59Å; A41-L116 HydrophobicContact CB-CD2 4.4Å
42	K	95.7	Very high	91.7	Very high	165 Å²	165	72.6 Å²	72.6	72%	0.717	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-64.9	-22.1	176.1	69	-178.3	-178.6	-177.2	0	114.3	H40	H40-K42 HydrophobicContact CB-CG 3.92Å; H40-K42 PolarHBondContact O-N 2.77Å
43	D	97	Very high	90.7	Very high	35 Å²	35	73.7 Å²	73.7	19%	0.187	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-90.2	-6.4	-178.2	-65.3	-31.1	0	0	0	111.9	H40 A41 H63 T64 P65	H40-D43 WeakPolarHBondContact CB-OD2 3.48Å; H40-D43 IonicContact CD2-OD2 2.93Å; H40-D43 PolarHBondContact CD2-OD2 3.36Å; H40-D43 IonicContact CG-OD2 3.87Å; H40-D43 WeakPolarHBondContact O-CB 3.2Å; H40-D43 PolarHBondContact O-N 2.84Å; A41-D43 PolarHBondContact O-N 3.5Å; D43-H63 WeakPolarHBondContact O-CA 3.43Å; D43-T64 PolarHBondContact O-N 3.22Å; D43-T64 PolarHBondContact O-OG1 3.43Å; D43-P65 HydrophobicContact CB-CG 4.21Å
44	L	97.4	Very high	89.6	Confident	12 Å²	12	77 Å²	77	6%	0.063	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	112.3	172.1	-74.3	169	0	0	0	110.2	I39 A41 M61 H63 F70 V72 L109 V118	I39-L44 HydrophobicContact CD1-CD1 4.19Å; I39-L44 HydrophobicContact CD1-CD2 3.78Å; I39-L44 HydrophobicContact CD1-CG 3.98Å; I39-L44 HydrophobicContact CG1-CG 4.36Å; A41-L44 PolarHBondContact O-N 3.1Å; L44-M61 HydrophobicContact CB-CB 4.47Å; L44-M61 HydrophobicContact CB-CE 4.46Å; L44-M61 HydrophobicContact CB-SD 4.09Å; L44-M61 HydrophobicContact CD2-CB 4.21Å; L44-H63 HydrophobicContact CD2-CB 4.23Å; L44-F70 HydrophobicContact CD2-CD2 4.17Å; L44-V72 HydrophobicContact CD1-CG2 4.23Å; L44-V72 HydrophobicContact CD2-CG2 4.3Å; L44-L109 HydrophobicContact CD1-CD1 3.87Å; L44-V118 HydrophobicContact CD1-CG2 4Å
45	R	97.2	Very high	88.6	Confident	170 Å²	170	72.1 Å²	72.1	64%	0.642	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.3	177.4	-70.5	-174.5	62.8	160.1	-3	111.5	I47 M61 I62 T64	R45-I47 PolarHBondContact O-N 2.68Å; R45-M61 CarbonylContact O-C 3.54Å; R45-M61 WeakPolarHBondContact O-CA 3.48Å; R45-M61 WeakPolarHBondContact O-CB 3.26Å; R45-I62 HydrophobicContact CB-CG2 3.98Å; R45-I62 PolarHBondContact N-O 3.28Å; R45-I62 PolarHBondContact O-N 3.08Å; R45-T64 HydrophobicContact CB-CG2 4.37Å; R45-T64 HydrophobicContact CG-CG2 3.78Å
46	K	96.3	Very high	88.1	Confident	116 Å²	116	67.2 Å²	67.2	50%	0.504	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	130.6	175.9	-176.1	-178.6	-177.1	159.1	0	111.7	E59 M61	K46-E59 VanDerWaalsContact CD-OE2 3.27Å; K46-E59 WeakPolarHBondContact CD-OE2 3.29Å; K46-E59 VanDerWaalsContact CE-OE1 3.3Å; K46-E59 WeakPolarHBondContact CE-OE1 3.21Å; K46-E59 WeakPolarHBondContact CG-OE2 3.21Å; K46-E59 IonicContact NZ-OE1 3.18Å; K46-E59 PolarHBondContact NZ-OE1 2.94Å; K46-E59 IonicContact NZ-OE2 2.94Å; K46-M61 HydrophobicContact CB-CE 3.92Å
47	I	96	Very high	88	Confident	90 Å²	90	64.7 Å²	64.7	46%	0.462	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-52.9	168	-65.3	165.8	0	0	0	109.9	R45 K60 I62 V69	R45-I47 PolarHBondContact O-N 2.68Å; I47-K60 WeakPolarHBondContact CA-O 3.38Å; I47-K60 HydrophobicContact CB-CB 4.48Å; I47-K60 HydrophobicContact CB-CG 4.27Å; I47-K60 WeakPolarHBondContact CB-O 3.46Å; I47-K60 HydrophobicContact CD1-CG 4.36Å; I47-K60 HydrophobicContact CG2-CD 4.44Å; I47-K60 PolarHBondContact N-O 3.31Å; I47-I62 HydrophobicContact CD1-CB 3.68Å; I47-I62 HydrophobicContact CD1-CG2 4.03Å; I47-I62 HydrophobicContact CG1-CB 4.27Å; I47-I62 HydrophobicContact CG1-CG2 4.07Å; I47-V69 HydrophobicContact CD1-CG1 3.94Å; I47-V69 HydrophobicContact CD1-CG2 4.14Å
48	A	94	Very high	87.9	Confident	38 Å²	38	65.4 Å²	65.4	31%	0.314	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	160.3	-172.8	0	0	0	0	0	112.4	E59 K60	A48-E59 CarbonylContact O-C 3.52Å; A48-E59 WeakPolarHBondContact O-CA 3.42Å; A48-K60 HydrophobicContact CB-CB 4.21Å; A48-K60 PolarHBondContact N-O 3.34Å; A48-K60 PolarHBondContact O-N 3.39Å
49	H	92.3	Very high	87.9	Confident	96 Å²	96	62.8 Å²	62.8	44%	0.444	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	131.9	169	-176.4	67.6	0	0	0	109.9	G51 S52	H49-G51 PolarHBondContact CE1-O 2.72Å; H49-G51 PolarHBondContact NE2-O 3.36Å; H49-S52 PolarHBondContact CE1-OG 2.92Å; H49-S52 PolarHBondContact NE2-OG 3.24Å
50	L	89.1	Confident	88	Confident	48 Å²	48	65.1 Å²	65.1	25%	0.251	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-36.3	-180	-66.5	175.9	0	0	0	112.5	V58 K60 A71 L121 K128	L50-V58 HydrophobicContact CB-CB 4.26Å; L50-V58 HydrophobicContact CB-CG1 4.14Å; L50-V58 WeakPolarHBondContact CB-O 3.21Å; L50-V58 HydrophobicContact CD1-CG1 4.07Å; L50-V58 PolarHBondContact N-O 3.48Å; L50-K60 HydrophobicContact CD1-CB 3.96Å; L50-K60 HydrophobicContact CD2-CB 4.05Å; L50-K60 HydrophobicContact CG-CB 3.95Å; L50-A71 HydrophobicContact CD1-CB 3.99Å; L50-L121 HydrophobicContact CD1-CD1 3.69Å; L50-K128 PolarHBondContact O-NZ 3.32Å
51	G	83.4	Confident	88.1	Confident	26 Å²	26	63.4 Å²	63.4	27%	0.268	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	163.4	178.6	0	0	0	0	0	112.7	H49 R57 V58	H49-G51 PolarHBondContact CE1-O 2.72Å; H49-G51 PolarHBondContact NE2-O 3.36Å; G51-R57 WeakPolarHBondContact O-CA 3.44Å; G51-V58 PolarHBondContact N-O 3.12Å; G51-V58 PolarHBondContact O-N 3.31Å
52	S	79.8	Confident	88.2	Confident	95 Å²	95	65.1 Å²	65.1	66%	0.664	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.9	174.1	-62.9	0	0	0	0	108.8	H49	H49-S52 PolarHBondContact CE1-OG 2.92Å; H49-S52 PolarHBondContact NE2-OG 3.24Å
53	G	65.2	Low	88.3	Confident	48 Å²	48	57.4 Å²	57.4	50%	0.495	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-179.4	168.4	0	0	0	0	0	110.3	Y55 G56	G53-Y55 VanDerWaalsContact C-N 3.26Å; G53-Y55 PolarHBondContact O-N 3.34Å; G53-G56 CarbonylContact C-O 3.52Å; G53-G56 PolarHBondContact N-O 2.95Å; G53-G56 PolarHBondContact O-N 2.98Å
54	Y	61.2	Low	88.3	Confident	135 Å²	135	58.7 Å²	58.7	53%	0.529	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-30.5	-179.5	-169.6	-91.9	0	0	0	113.1	I197	Y54-I197 HydrophobicContact CE1-CB 3.81Å; Y54-I197 HydrophobicContact CE1-CD1 4.09Å; Y54-I197 HydrophobicContact CE1-CG2 3.44Å; Y54-I197 VanDerWaalsContact CE1-CG2 3.44Å; Y54-I197 VanDerWaalsContact OH-CG2 3.22Å; Y54-I197 WeakPolarHBondContact OH-CG2 3.39Å
55	Y	63.2	Low	88.2	Confident	21 Å²	21	62.2 Å²	62.2	8%	0.082	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-10.3	-174.8	-63.6	-86.3	0	0	0	113.8	G53 S76 N80 L193 E194 I197	G53-Y55 VanDerWaalsContact C-N 3.26Å; G53-Y55 PolarHBondContact O-N 3.34Å; Y55-S76 PolarHBondContact O-N 3.32Å; Y55-N80 WeakPolarHBondContact CE1-ND2 3.39Å; Y55-L193 HydrophobicContact CD1-CD1 3.53Å; Y55-L193 HydrophobicContact CD1-CD2 3.75Å; Y55-L193 HydrophobicContact CD1-CG 3.38Å; Y55-L193 HydrophobicContact CD2-CD2 4.48Å; Y55-L193 HydrophobicContact CD2-CG 4.14Å; Y55-L193 HydrophobicContact CE1-CB 4.47Å; Y55-L193 HydrophobicContact CE1-CD1 3.32Å; Y55-L193 HydrophobicContact CE1-CD2 4.26Å; Y55-L193 HydrophobicContact CE1-CG 3.37Å; Y55-L193 WeakPolarHBondContact CE1-O 3.41Å; Y55-L193 HydrophobicContact CE2-CG 4.26Å; Y55-L193 HydrophobicContact CG-CD1 4.41Å; Y55-L193 HydrophobicContact CG-CD2 3.89Å; Y55-L193 HydrophobicContact CG-CG 3.79Å; Y55-L193 VanDerWaalsContact OH-C 3.22Å; Y55-L193 PolarHBondContact OH-O 3.34Å; Y55-E194 HydrophobicContact CD2-CG 3.84Å; Y55-E194 HydrophobicContact CE2-CB 3.99Å; Y55-E194 HydrophobicContact CE2-CG 3.47Å; Y55-E194 VanDerWaalsContact CE2-CG 3.47Å; Y55-E194 WeakPolarHBondContact OH-CA 3.5Å; Y55-E194 PolarHBondContact OH-O 2.89Å; Y55-I197 HydrophobicContact CE1-CD1 3.91Å; Y55-I197 WeakPolarHBondContact OH-CB 3.46Å
56	G	77.5	Confident	88.1	Confident	30 Å²	30	56.7 Å²	56.7	31%	0.309	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	153.1	-146.1	179.9	0	0	0	0	0	112.4	G53 H74	G53-G56 CarbonylContact C-O 3.52Å; G53-G56 PolarHBondContact N-O 2.95Å; G53-G56 PolarHBondContact O-N 2.98Å; G56-H74 VanDerWaalsContact CA-O 3.28Å; G56-H74 WeakPolarHBondContact CA-O 3.32Å
57	R	88.4	Confident	88.1	Confident	90 Å²	90	55.1 Å²	55.1	34%	0.34	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.2	-165.3	62.6	-172.7	-172	-75.1	-5.6	111.3	G51 E59 K73 H74 D114	G51-R57 WeakPolarHBondContact O-CA 3.44Å; R57-E59 VanDerWaalsContact CD-OE1 3.28Å; R57-E59 WeakPolarHBondContact CD-OE1 3.26Å; R57-E59 HydrophobicContact CG-CG 4.24Å; R57-E59 IonicContact CZ-OE1 2.8Å; R57-E59 IonicContact NE-OE1 3.45Å; R57-E59 PolarHBondContact NE-OE1 3.33Å; R57-K73 WeakPolarHBondContact O-CA 3.42Å; R57-H74 HydrophobicContact CG-CB 4.01Å; R57-H74 PolarHBondContact N-O 3.32Å; R57-H74 PolarHBondContact O-N 3.04Å; R57-D114 IonicContact NH1-OD2 2.9Å
58	V	91.8	Very high	88.1	Confident	36 Å²	36	54.2 Å²	54.2	22%	0.218	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.8	170.9	-169.6	0	0	0	0	108.2	L50 G51 A71 V72 K73	L50-V58 HydrophobicContact CB-CB 4.26Å; L50-V58 HydrophobicContact CB-CG1 4.14Å; L50-V58 WeakPolarHBondContact CB-O 3.21Å; L50-V58 HydrophobicContact CD1-CG1 4.07Å; L50-V58 PolarHBondContact N-O 3.48Å; G51-V58 PolarHBondContact N-O 3.12Å; G51-V58 PolarHBondContact O-N 3.31Å; V58-A71 HydrophobicContact CG1-CB 4.21Å; V58-V72 CarbonylContact C-O 3.57Å; V58-V72 WeakPolarHBondContact CA-O 3.39Å; V58-K73 HydrophobicContact CG2-CB 4.19Å; V58-K73 HydrophobicContact CG2-CG 4.22Å
59	E	95.2	Very high	88.2	Confident	7 Å²	7	54.2 Å²	54.2	3%	0.033	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142	-179.4	-61.3	-169.9	160.2	0	0	110.6	K46 A48 R57 M61 V72 H74	K46-E59 VanDerWaalsContact CD-OE2 3.27Å; K46-E59 WeakPolarHBondContact CD-OE2 3.29Å; K46-E59 VanDerWaalsContact CE-OE1 3.3Å; K46-E59 WeakPolarHBondContact CE-OE1 3.21Å; K46-E59 WeakPolarHBondContact CG-OE2 3.21Å; K46-E59 IonicContact NZ-OE1 3.18Å; K46-E59 PolarHBondContact NZ-OE1 2.94Å; K46-E59 IonicContact NZ-OE2 2.94Å; A48-E59 CarbonylContact O-C 3.52Å; A48-E59 WeakPolarHBondContact O-CA 3.42Å; R57-E59 VanDerWaalsContact CD-OE1 3.28Å; R57-E59 WeakPolarHBondContact CD-OE1 3.26Å; R57-E59 HydrophobicContact CG-CG 4.24Å; R57-E59 IonicContact CZ-OE1 2.8Å; R57-E59 IonicContact NE-OE1 3.45Å; R57-E59 PolarHBondContact NE-OE1 3.33Å; E59-M61 HydrophobicContact CB-CG 4.02Å; E59-V72 PolarHBondContact N-O 2.97Å; E59-V72 PolarHBondContact O-N 3.24Å; E59-H74 IonicContact OE2-NE2 2.73Å
60	K	96.2	Very high	88.4	Confident	49 Å²	49	49.7 Å²	49.7	21%	0.213	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	117.9	166.4	-175.9	172.1	-179.8	165.9	0	106.6	I47 A48 L50 V69 F70 L121	I47-K60 WeakPolarHBondContact CA-O 3.38Å; I47-K60 HydrophobicContact CB-CB 4.48Å; I47-K60 HydrophobicContact CB-CG 4.27Å; I47-K60 WeakPolarHBondContact CB-O 3.46Å; I47-K60 HydrophobicContact CD1-CG 4.36Å; I47-K60 HydrophobicContact CG2-CD 4.44Å; I47-K60 PolarHBondContact N-O 3.31Å; A48-K60 HydrophobicContact CB-CB 4.21Å; A48-K60 PolarHBondContact N-O 3.34Å; A48-K60 PolarHBondContact O-N 3.39Å; L50-K60 HydrophobicContact CD1-CB 3.96Å; L50-K60 HydrophobicContact CD2-CB 4.05Å; L50-K60 HydrophobicContact CG-CB 3.95Å; K60-V69 HydrophobicContact CD-CG1 4.2Å; K60-V69 HydrophobicContact CG-CG1 3.5Å; K60-F70 WeakPolarHBondContact CA-O 3.35Å; K60-L121 HydrophobicContact CD-CD1 4.4Å; K60-L121 HydrophobicContact CD-CD2 4.02Å; K60-L121 HydrophobicContact CG-CD1 4.17Å; K60-L121 HydrophobicContact CG-CD2 4.18Å
61	M	97.9	Very high	88.7	Confident	15 Å²	15	47.8 Å²	47.8	7%	0.074	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.8	-178	-54.9	-168.2	103.1	0	0	111.1	L44 R45 K46 E59 V69 F70 V72	L44-M61 HydrophobicContact CB-CB 4.47Å; L44-M61 HydrophobicContact CB-CE 4.46Å; L44-M61 HydrophobicContact CB-SD 4.09Å; L44-M61 HydrophobicContact CD2-CB 4.21Å; R45-M61 CarbonylContact O-C 3.54Å; R45-M61 WeakPolarHBondContact O-CA 3.48Å; R45-M61 WeakPolarHBondContact O-CB 3.26Å; K46-M61 HydrophobicContact CB-CE 3.92Å; E59-M61 HydrophobicContact CB-CG 4.02Å; M61-V69 CarbonylContact O-C 3.56Å; M61-V69 WeakPolarHBondContact O-CA 3.34Å; M61-V69 WeakPolarHBondContact O-CG1 3.37Å; M61-F70 PolarHBondContact N-O 3.43Å; M61-F70 PolarHBondContact O-N 3.21Å; M61-V72 HydrophobicContact CB-CG2 3.86Å; M61-V72 HydrophobicContact CG-CB 3.99Å; M61-V72 HydrophobicContact CG-CG2 3.79Å; M61-V72 HydrophobicContact SD-CB 3.62Å; M61-V72 HydrophobicContact SD-CG1 3.9Å; M61-V72 HydrophobicContact SD-CG2 3.64Å
62	I	97.5	Very high	89.3	Confident	46 Å²	46	46.5 Å²	46.5	24%	0.236	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.9	172.9	-172.7	166.9	0	0	0	109.9	R45 I47 T64 H68 V69	R45-I62 HydrophobicContact CB-CG2 3.98Å; R45-I62 PolarHBondContact N-O 3.28Å; R45-I62 PolarHBondContact O-N 3.08Å; I47-I62 HydrophobicContact CD1-CB 3.68Å; I47-I62 HydrophobicContact CD1-CG2 4.03Å; I47-I62 HydrophobicContact CG1-CB 4.27Å; I47-I62 HydrophobicContact CG1-CG2 4.07Å; I62-T64 PolarHBondContact O-N 3.48Å; I62-H68 WeakPolarHBondContact CA-O 3.4Å; I62-V69 HydrophobicContact CB-CG2 4.36Å; I62-V69 HydrophobicContact CG1-CG2 4.3Å
63	H	97.2	Very high	89.8	Confident	3 Å²	3	43.1 Å²	43.1	1%	0.014	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	105.3	169.4	178.1	-129.4	0	0	0	109.2	I39 D43 L44 P65 T66 S67 H68 F70	I39-H63 HydrophobicContact CD1-CB 4.18Å; D43-H63 WeakPolarHBondContact O-CA 3.43Å; L44-H63 HydrophobicContact CD2-CB 4.23Å; H63-P65 VanDerWaalsContact C-CD 3.45Å; H63-P65 VanDerWaalsContact CD2-CD 3.49Å; H63-P65 WeakPolarHBondContact CD2-CD 3.2Å; H63-P65 WeakPolarHBondContact NE2-CD 3.38Å; H63-T66 WeakPolarHBondContact ND1-CG2 3.29Å; H63-T66 PolarHBondContact ND1-OG1 3.46Å; H63-T66 PolarHBondContact O-N 3.21Å; H63-T66 PolarHBondContact O-OG1 2.88Å; H63-S67 WeakPolarHBondContact O-CA 3.37Å; H63-S67 PolarHBondContact O-N 3.16Å; H63-H68 PolarHBondContact N-O 3.28Å; H63-F70 HydrophobicContact CB-CD2 4.08Å; H63-F70 HydrophobicContact CB-CE2 3.67Å
64	T	97.2	Very high	90.9	Very high	61 Å²	61	41.4 Å²	41.4	37%	0.374	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-39.4	-167.5	49	0	0	0	0	115.8	D43 R45 I62 T66	D43-T64 PolarHBondContact O-N 3.22Å; D43-T64 PolarHBondContact O-OG1 3.43Å; R45-T64 HydrophobicContact CB-CG2 4.37Å; R45-T64 HydrophobicContact CG-CG2 3.78Å; I62-T64 PolarHBondContact O-N 3.48Å; T64-T66 PolarHBondContact O-N 3.43Å
65	P	96.3	Very high	91.9	Very high	86 Å²	86	35.1 Å²	35.1	56%	0.558	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-38.1	179.5	-22	35.4	0	0	0	113.1	D43 H63	D43-P65 HydrophobicContact CB-CG 4.21Å; H63-P65 VanDerWaalsContact C-CD 3.45Å; H63-P65 VanDerWaalsContact CD2-CD 3.49Å; H63-P65 WeakPolarHBondContact CD2-CD 3.2Å; H63-P65 WeakPolarHBondContact NE2-CD 3.38Å
66	T	94.9	Very high	92.6	Very high	54 Å²	54	35.6 Å²	35.6	33%	0.331	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-13.1	-176.4	61.2	0	0	0	0	113.8	I37 H63 T64 H68	I37-T66 HydrophobicContact CD1-CG2 4.11Å; H63-T66 WeakPolarHBondContact ND1-CG2 3.29Å; H63-T66 PolarHBondContact ND1-OG1 3.46Å; H63-T66 PolarHBondContact O-N 3.21Å; H63-T66 PolarHBondContact O-OG1 2.88Å; T64-T66 PolarHBondContact O-N 3.43Å; T66-H68 PolarHBondContact O-N 3.27Å; T66-H68 WeakPolarHBondContact OG1-CB 3.37Å; T66-H68 PolarHBondContact OG1-N 3.28Å
67	S	95.3	Very high	92.1	Very high	83 Å²	83	34.4 Å²	34.4	58%	0.58	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	9.9	-166.9	-56.3	0	0	0	0	115.4	H63	H63-S67 WeakPolarHBondContact O-CA 3.37Å; H63-S67 PolarHBondContact O-N 3.16Å
68	H	95.9	Very high	90.9	Very high	72 Å²	72	37.5 Å²	37.5	33%	0.333	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	143.9	176.2	-162.3	89.5	0	0	0	111.2	L32 I62 H63 T66 F70	L32-H68 HydrophobicContact CD2-CB 3.85Å; I62-H68 WeakPolarHBondContact CA-O 3.4Å; H63-H68 PolarHBondContact N-O 3.28Å; T66-H68 PolarHBondContact O-N 3.27Å; T66-H68 WeakPolarHBondContact OG1-CB 3.37Å; T66-H68 PolarHBondContact OG1-N 3.28Å; H68-F70 HydrophobicContact CB-CE2 4Å; H68-F70 HydrophobicContact CB-CZ 4.06Å; H68-F70 AromaticContact CD2-CD1 3.81Å; H68-F70 AromaticContact CD2-CE1 3.31Å; H68-F70 WeakPolarHBondContact CD2-CE1 3.5Å; H68-F70 AromaticContact CD2-CE2 3.69Å; H68-F70 AromaticContact CD2-CZ 3.24Å; H68-F70 WeakPolarHBondContact CD2-CZ 3.31Å; H68-F70 AromaticContact CG-CZ 3.86Å; H68-F70 AromaticContact NE2-CE1 3.85Å
69	V	96.4	Very high	89.2	Confident	38 Å²	38	42.4 Å²	42.4	23%	0.23	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.1	-177.9	-171.8	0	0	0	0	110.4	I47 K60 M61 I62 L121	I47-V69 HydrophobicContact CD1-CG1 3.94Å; I47-V69 HydrophobicContact CD1-CG2 4.14Å; K60-V69 HydrophobicContact CD-CG1 4.2Å; K60-V69 HydrophobicContact CG-CG1 3.5Å; M61-V69 CarbonylContact O-C 3.56Å; M61-V69 WeakPolarHBondContact O-CA 3.34Å; M61-V69 WeakPolarHBondContact O-CG1 3.37Å; I62-V69 HydrophobicContact CB-CG2 4.36Å; I62-V69 HydrophobicContact CG1-CG2 4.3Å; V69-L121 HydrophobicContact CB-CD2 4.47Å; V69-L121 HydrophobicContact CG1-CD2 3.91Å
70	F	96.8	Very high	87.4	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	158.6	-178.2	-61.9	-75.6	0	0	0	111.3	M30 L32 I39 L44 K60 M61 H63 H68 V72 Y106 V118	M30-F70 HydrophobicContact CE-CE1 3.86Å; M30-F70 HydrophobicContact CE-CE2 3.83Å; M30-F70 HydrophobicContact CE-CZ 3.29Å; L32-F70 HydrophobicContact CD1-CE1 3.97Å; L32-F70 HydrophobicContact CD1-CZ 4Å; L32-F70 HydrophobicContact CD2-CZ 4.22Å; I39-F70 HydrophobicContact CD1-CD2 4.48Å; I39-F70 HydrophobicContact CD1-CE2 4.17Å; L44-F70 HydrophobicContact CD2-CD2 4.17Å; K60-F70 WeakPolarHBondContact CA-O 3.35Å; M61-F70 PolarHBondContact N-O 3.43Å; M61-F70 PolarHBondContact O-N 3.21Å; H63-F70 HydrophobicContact CB-CD2 4.08Å; H63-F70 HydrophobicContact CB-CE2 3.67Å; H68-F70 HydrophobicContact CB-CE2 4Å; H68-F70 HydrophobicContact CB-CZ 4.06Å; H68-F70 AromaticContact CD2-CD1 3.81Å; H68-F70 AromaticContact CD2-CE1 3.31Å; H68-F70 WeakPolarHBondContact CD2-CE1 3.5Å; H68-F70 AromaticContact CD2-CE2 3.69Å; H68-F70 AromaticContact CD2-CZ 3.24Å; H68-F70 WeakPolarHBondContact CD2-CZ 3.31Å; H68-F70 AromaticContact CG-CZ 3.86Å; H68-F70 AromaticContact NE2-CE1 3.85Å; F70-V72 HydrophobicContact CB-CG2 4.24Å; F70-Y106 AromaticContact CD1-CD2 3.79Å; F70-Y106 HydrophobicContact CD1-CD2 3.79Å; F70-Y106 AromaticContact CD1-CE2 3.7Å; F70-Y106 HydrophobicContact CD1-CE2 3.7Å; F70-Y106 AromaticContact CE1-CD2 3.71Å; F70-Y106 HydrophobicContact CE1-CD2 3.71Å; F70-Y106 AromaticContact CE1-CE2 3.58Å; F70-Y106 HydrophobicContact CE1-CE2 3.58Å; F70-Y106 HydrophobicContact CE1-CG 4.45Å; F70-V118 HydrophobicContact CB-CG1 3.84Å; F70-V118 HydrophobicContact CD1-CG1 3.68Å; F70-V118 HydrophobicContact CD2-CG1 4.12Å; F70-V118 HydrophobicContact CE1-CG1 4.25Å; F70-V118 HydrophobicContact CG-CG1 3.6Å
71	A	95.7	Very high	85.5	Confident	8 Å²	8	48.3 Å²	48.3	7%	0.066	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.8	156.5	0	0	0	0	0	108.4	L50 V58 M119 L121	L50-A71 HydrophobicContact CD1-CB 3.99Å; V58-A71 HydrophobicContact CG1-CB 4.21Å; A71-M119 HydrophobicContact CB-CE 4.44Å; A71-M119 PolarHBondContact N-O 2.68Å; A71-M119 PolarHBondContact O-N 3.02Å; A71-L121 HydrophobicContact CB-CD1 4.21Å
72	V	94.7	Very high	83.6	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.8	-179.7	-177.1	0	0	0	0	109.3	L44 V58 E59 M61 F70 L116 I117	L44-V72 HydrophobicContact CD1-CG2 4.23Å; L44-V72 HydrophobicContact CD2-CG2 4.3Å; V58-V72 CarbonylContact C-O 3.57Å; V58-V72 WeakPolarHBondContact CA-O 3.39Å; E59-V72 PolarHBondContact N-O 2.97Å; E59-V72 PolarHBondContact O-N 3.24Å; M61-V72 HydrophobicContact CB-CG2 3.86Å; M61-V72 HydrophobicContact CG-CB 3.99Å; M61-V72 HydrophobicContact CG-CG2 3.79Å; M61-V72 HydrophobicContact SD-CB 3.62Å; M61-V72 HydrophobicContact SD-CG1 3.9Å; M61-V72 HydrophobicContact SD-CG2 3.64Å; F70-V72 HydrophobicContact CB-CG2 4.24Å; V72-L116 HydrophobicContact CG1-CB 3.91Å; V72-L116 HydrophobicContact CG1-CD2 4.24Å; V72-L116 HydrophobicContact CG1-CG 4Å; V72-I117 WeakPolarHBondContact CA-O 3.14Å
73	K	90.2	Very high	82.1	Confident	23 Å²	23	52.6 Å²	52.6	10%	0.1	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	114.5	175.9	179	-179.9	177.8	-172.3	0	109	R57 V58 I75 E90 L116 I117 M119 D186 S190	R57-K73 WeakPolarHBondContact O-CA 3.42Å; V58-K73 HydrophobicContact CG2-CB 4.19Å; V58-K73 HydrophobicContact CG2-CG 4.22Å; K73-I75 HydrophobicContact CG-CG1 4.22Å; K73-E90 IonicContact NZ-OE1 3.92Å; K73-E90 PolarHBondContact NZ-OE1 3.36Å; K73-L116 WeakPolarHBondContact O-CA 3.49Å; K73-I117 HydrophobicContact CB-CB 4.27Å; K73-I117 PolarHBondContact N-O 2.85Å; K73-I117 PolarHBondContact O-N 2.97Å; K73-M119 HydrophobicContact CB-CE 3.65Å; K73-D186 IonicContact NZ-OD1 3.71Å; K73-D186 PolarHBondContact NZ-OD1 3Å; K73-S190 PolarHBondContact NZ-OG 2.89Å; K73-S190 VanDerWaalsContact NZ-OG 3.09Å
74	H	89.3	Confident	80.7	Confident	12 Å²	12	55.6 Å²	55.6	6%	0.056	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.8	175	-64.6	-102	0	0	0	109.5	G56 R57 E59 V115	G56-H74 VanDerWaalsContact CA-O 3.28Å; G56-H74 WeakPolarHBondContact CA-O 3.32Å; R57-H74 HydrophobicContact CG-CB 4.01Å; R57-H74 PolarHBondContact N-O 3.32Å; R57-H74 PolarHBondContact O-N 3.04Å; E59-H74 IonicContact OE2-NE2 2.73Å; H74-V115 CarbonylContact C-O 3.56Å; H74-V115 WeakPolarHBondContact CA-O 3.49Å
75	I	82.4	Confident	79.4	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	116.9	176.5	-57.1	175	0	0	0	108	K73 V77 I87 D114 V115 I117	K73-I75 HydrophobicContact CG-CG1 4.22Å; I75-V77 PolarHBondContact O-N 2.95Å; I75-I87 HydrophobicContact CD1-CG1 4.47Å; I75-I87 HydrophobicContact CG2-CD1 3.73Å; I75-I87 HydrophobicContact CG2-CG1 4.36Å; I75-D114 WeakPolarHBondContact O-CA 3.45Å; I75-V115 HydrophobicContact CB-CB 4.38Å; I75-V115 PolarHBondContact N-O 3.46Å; I75-V115 PolarHBondContact O-N 3.49Å; I75-I117 HydrophobicContact CD1-CD1 3.69Å; I75-I117 HydrophobicContact CD1-CG1 4.31Å
76	S	77.3	Confident	78.2	Confident	31 Å²	31	54.9 Å²	54.9	22%	0.217	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	115.2	-178.8	-165.9	0	0	0	0	111.6	Y55 H78 L79 D114	Y55-S76 PolarHBondContact O-N 3.32Å; S76-H78 VanDerWaalsContact C-N 3.34Å; S76-H78 PolarHBondContact O-N 3.37Å; S76-L79 PolarHBondContact O-N 3.04Å; S76-D114 VanDerWaalsContact CA-OD1 3.23Å; S76-D114 WeakPolarHBondContact CA-OD1 3.41Å; S76-D114 WeakPolarHBondContact CB-OD1 3.45Å; S76-D114 PolarHBondContact OG-OD1 3.15Å
77	V	68	Low	77.2	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.024	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-71.6	-32.6	-176.2	-178.5	0	0	0	0	111.6	P21 I75 L79 N80 R84 F110 G113 V115	P21-V77 HydrophobicContact CB-CG1 4.07Å; P21-V77 HydrophobicContact CG-CG1 4.14Å; I75-V77 PolarHBondContact O-N 2.95Å; V77-L79 PolarHBondContact O-N 3.13Å; V77-N80 CarbonylContact O-C 3.56Å; V77-N80 PolarHBondContact O-N 3.37Å; V77-R84 HydrophobicContact CG1-CG 4.17Å; V77-R84 VanDerWaalsContact CG1-NE 3.32Å; V77-F110 HydrophobicContact CB-CE2 4.4Å; V77-F110 HydrophobicContact CG2-CD2 4.38Å; V77-F110 HydrophobicContact CG2-CE2 3.85Å; V77-G113 WeakPolarHBondContact CB-O 3.37Å; V77-G113 PolarHBondContact N-O 3.42Å; V77-V115 HydrophobicContact CG2-CB 4.42Å; V77-V115 HydrophobicContact CG2-CG2 3.5Å; V77-V115 VanDerWaalsContact CG2-CG2 3.5Å
78	H	62.5	Low	76.3	Confident	156 Å²	156	50.7 Å²	50.7	72%	0.722	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-62.4	-29.2	-179	-71.6	-66.9	0	0	0	112.8	S76 N80	S76-H78 VanDerWaalsContact C-N 3.34Å; S76-H78 PolarHBondContact O-N 3.37Å; H78-N80 PolarHBondContact O-N 2.93Å
79	L	56.7	Low	75.3	Confident	138 Å²	138	54 Å²	54	72%	0.723	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-74.3	-13.6	177.1	-64.2	177.4	0	0	0	112.7	S76 V77	S76-L79 PolarHBondContact O-N 3.04Å; V77-L79 PolarHBondContact O-N 3.13Å
80	N	57.4	Low	74.2	Confident	21 Å²	21	52.7 Å²	52.7	11%	0.112	26%	0.259	C	S	.	.			trans	-161.1	63.6	-165	-148	-19.8	0	0	0	115.8	Y55 V77 H78 L82 S83 I197	Y55-N80 WeakPolarHBondContact CE1-ND2 3.39Å; V77-N80 CarbonylContact O-C 3.56Å; V77-N80 PolarHBondContact O-N 3.37Å; H78-N80 PolarHBondContact O-N 2.93Å; N80-L82 PolarHBondContact O-N 3.47Å; N80-L82 VanDerWaalsContact O-N 3.16Å; N80-S83 VanDerWaalsContact CG-CB 3.44Å; N80-S83 PolarHBondContact ND2-OG 3.31Å; N80-S83 WeakPolarHBondContact O-CB 3.39Å; N80-S83 PolarHBondContact O-N 2.96Å; N80-S83 WeakPolarHBondContact OD1-CB 3.38Å; N80-S83 PolarHBondContact OD1-OG 3.43Å; N80-I197 WeakPolarHBondContact ND2-CD1 3.1Å
81	Y	55.7	Low	73.4	Confident	160 Å²	160	53.3 Å²	53.3	63%	0.627	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-53.1	-36.7	176.2	-178.4	-88.3	0	0	0	113	S83 R84	Y81-S83 PolarHBondContact O-N 3.15Å; Y81-R84 VanDerWaalsContact CD2-CZ 3.4Å; Y81-R84 VanDerWaalsContact CE2-NH1 3.31Å; Y81-R84 WeakPolarHBondContact O-CB 3.49Å; Y81-R84 WeakPolarHBondContact O-CG 3.41Å; Y81-R84 PolarHBondContact O-N 3.3Å
82	L	57.4	Low	72.7	Confident	149 Å²	149	55.2 Å²	55.2	78%	0.78	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-63.7	-21.6	179.4	-63.2	178.4	0	0	0	113.2	N80 P85	N80-L82 PolarHBondContact O-N 3.47Å; N80-L82 VanDerWaalsContact O-N 3.16Å; L82-P85 WeakPolarHBondContact O-CD 3.22Å
83	S	65.7	Low	72	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.014	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-90.1	-2.4	-178.2	-69.1	0	0	0	0	114.2	N80 Y81 L86 I87 L193	N80-S83 VanDerWaalsContact CG-CB 3.44Å; N80-S83 PolarHBondContact ND2-OG 3.31Å; N80-S83 WeakPolarHBondContact O-CB 3.39Å; N80-S83 PolarHBondContact O-N 2.96Å; N80-S83 WeakPolarHBondContact OD1-CB 3.38Å; N80-S83 PolarHBondContact OD1-OG 3.43Å; Y81-S83 PolarHBondContact O-N 3.15Å; S83-L86 WeakPolarHBondContact O-CA 3.38Å; S83-L86 WeakPolarHBondContact O-CB 3.47Å; S83-L86 PolarHBondContact O-N 3.24Å; S83-I87 WeakPolarHBondContact O-CG1 3.36Å; S83-I87 PolarHBondContact O-N 3.47Å; S83-L193 WeakPolarHBondContact OG-CD1 3.41Å
84	R	69.6	Low	71.6	Confident	65 Å²	65	55.2 Å²	55.2	25%	0.245	28%	0.28	C	S	.	.	H	α-helix	trans	-52.1	-52.7	176.7	-77.4	178.1	-177.7	-162.2	2.7	112.2	L22 V77 Y81 L86 I87 S88	L22-R84 HydrophobicContact CD2-CB 3.54Å; L22-R84 HydrophobicContact CD2-CG 4.05Å; L22-R84 WeakPolarHBondContact CD2-O 3.48Å; V77-R84 HydrophobicContact CG1-CG 4.17Å; V77-R84 VanDerWaalsContact CG1-NE 3.32Å; Y81-R84 VanDerWaalsContact CD2-CZ 3.4Å; Y81-R84 VanDerWaalsContact CE2-NH1 3.31Å; Y81-R84 WeakPolarHBondContact O-CB 3.49Å; Y81-R84 WeakPolarHBondContact O-CG 3.41Å; Y81-R84 PolarHBondContact O-N 3.3Å; R84-L86 PolarHBondContact O-N 3.41Å; R84-L86 VanDerWaalsContact O-N 3.16Å; R84-I87 PolarHBondContact O-N 3.24Å; R84-I87 VanDerWaalsContact O-N 3.1Å; R84-S88 PolarHBondContact O-N 2.65Å
85	P	69.1	Low	71.4	Confident	93 Å²	93	57.9 Å²	57.9	60%	0.604	30%	0.297	S	S	*	.	H	α-helix	trans	-57.5	-33.6	177.6	-24.2	35.3	0	0	0	113.6	L82 R89	L82-P85 WeakPolarHBondContact O-CD 3.22Å; P85-R89 WeakPolarHBondContact O-CB 3.4Å; P85-R89 PolarHBondContact O-N 3.09Å; P85-R89 VanDerWaalsContact O-N 3.1Å
86	L	70.7	Confident	71.4	Confident	39 Å²	39	66.7 Å²	66.7	20%	0.204	33%	0.33	C	S	.	.	H	α-helix	trans	-66.9	-51.3	175.3	-60.3	177.9	0	0	0	110.2	S83 R84 S88 R89 E90 I189 D192 L193	S83-L86 WeakPolarHBondContact O-CA 3.38Å; S83-L86 WeakPolarHBondContact O-CB 3.47Å; S83-L86 PolarHBondContact O-N 3.24Å; R84-L86 PolarHBondContact O-N 3.41Å; R84-L86 VanDerWaalsContact O-N 3.16Å; L86-S88 VanDerWaalsContact C-N 3.34Å; L86-S88 PolarHBondContact O-N 3.3Å; L86-R89 CarbonylContact O-C 3.45Å; L86-R89 WeakPolarHBondContact O-CA 3.44Å; L86-R89 PolarHBondContact O-N 2.96Å; L86-E90 PolarHBondContact O-N 3.23Å; L86-I189 VanDerWaalsContact C-CG2 3.48Å; L86-I189 HydrophobicContact CB-CG2 3.61Å; L86-I189 HydrophobicContact CD2-CG2 4.11Å; L86-I189 HydrophobicContact CG-CG2 4.43Å; L86-I189 WeakPolarHBondContact O-CG2 3.11Å; L86-D192 HydrophobicContact CD1-CB 4.39Å; L86-D192 HydrophobicContact CD2-CB 4.44Å; L86-L193 HydrophobicContact CD1-CB 4.34Å
87	I	75.4	Confident	71.9	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-59.5	-43.3	179	-58.5	163.4	0	0	0	111.6	L22 I75 S83 R84 R89 E90 L91 V115 L193	L22-I87 HydrophobicContact CD1-CB 3.72Å; L22-I87 HydrophobicContact CD1-CG2 3.46Å; L22-I87 VanDerWaalsContact CD1-CG2 3.46Å; I75-I87 HydrophobicContact CD1-CG1 4.47Å; I75-I87 HydrophobicContact CG2-CD1 3.73Å; I75-I87 HydrophobicContact CG2-CG1 4.36Å; S83-I87 WeakPolarHBondContact O-CG1 3.36Å; S83-I87 PolarHBondContact O-N 3.47Å; R84-I87 PolarHBondContact O-N 3.24Å; R84-I87 VanDerWaalsContact O-N 3.1Å; I87-R89 VanDerWaalsContact C-N 3.28Å; I87-R89 PolarHBondContact O-N 3.29Å; I87-E90 PolarHBondContact O-N 3.18Å; I87-L91 HydrophobicContact CG2-CD1 4.18Å; I87-L91 PolarHBondContact O-N 2.78Å; I87-V115 HydrophobicContact CG2-CB 4.32Å; I87-V115 HydrophobicContact CG2-CG1 3.81Å; I87-V115 HydrophobicContact CG2-CG2 4.3Å; I87-L193 HydrophobicContact CG1-CD2 4.39Å
88	S	75.7	Confident	72.9	Confident	47 Å²	47	72.1 Å²	72.1	33%	0.329	36%	0.357	S	S	.	.	H	α-helix	trans	-56.7	-42.8	173.8	-92.5	0	0	0	0	111.9	L22 R84 L86 A92	L22-S88 WeakPolarHBondContact CB-OG 3.35Å; L22-S88 WeakPolarHBondContact CD2-OG 3.32Å; R84-S88 PolarHBondContact O-N 2.65Å; L86-S88 VanDerWaalsContact C-N 3.34Å; L86-S88 PolarHBondContact O-N 3.3Å; S88-A92 VanDerWaalsContact O-CB 3.31Å; S88-A92 WeakPolarHBondContact O-CB 3.36Å; S88-A92 PolarHBondContact O-N 3.05Å
89	R	74.4	Confident	74.4	Confident	141 Å²	141	66.9 Å²	66.9	53%	0.532	33%	0.333	S	S	.	.	H	α-helix	trans	-71.6	-39	179.7	-165.1	-169.8	172.8	175.9	-0.7	111.4	P85 L86 I87 A92 V93 I189	P85-R89 WeakPolarHBondContact O-CB 3.4Å; P85-R89 PolarHBondContact O-N 3.09Å; P85-R89 VanDerWaalsContact O-N 3.1Å; L86-R89 CarbonylContact O-C 3.45Å; L86-R89 WeakPolarHBondContact O-CA 3.44Å; L86-R89 PolarHBondContact O-N 2.96Å; I87-R89 VanDerWaalsContact C-N 3.28Å; I87-R89 PolarHBondContact O-N 3.29Å; R89-A92 PolarHBondContact O-N 3.49Å; R89-V93 WeakPolarHBondContact O-CG2 3.42Å; R89-V93 PolarHBondContact O-N 3.05Å; R89-I189 VanDerWaalsContact C-CD1 3.4Å; R89-I189 HydrophobicContact CB-CD1 3.78Å; R89-I189 HydrophobicContact CB-CG2 4.5Å; R89-I189 HydrophobicContact CG-CD1 3.47Å; R89-I189 VanDerWaalsContact CG-CD1 3.47Å; R89-I189 HydrophobicContact CG-CG1 4.36Å; R89-I189 WeakPolarHBondContact O-CD1 3.34Å
90	E	74.4	Confident	76.3	Confident	12 Å²	12	64.5 Å²	64.5	6%	0.056	32%	0.315	C	S	.	.	H	α-helix	trans	-57.8	-50.6	176.3	-177.6	-178.6	162.1	0	0	109.5	K73 L86 I87 A92 V93 G94 I117 I189 S190	K73-E90 IonicContact NZ-OE1 3.92Å; K73-E90 PolarHBondContact NZ-OE1 3.36Å; L86-E90 PolarHBondContact O-N 3.23Å; I87-E90 PolarHBondContact O-N 3.18Å; E90-A92 PolarHBondContact O-N 2.83Å; E90-V93 PolarHBondContact O-N 3.5Å; E90-G94 PolarHBondContact O-N 3.21Å; E90-I117 HydrophobicContact CG-CD1 4.48Å; E90-I189 HydrophobicContact CB-CB 4.06Å; E90-I189 HydrophobicContact CB-CD1 4.43Å; E90-I189 HydrophobicContact CB-CG2 3.97Å; E90-S190 PolarHBondContact OE1-OG 2.9Å; E90-S190 PolarHBondContact OE2-OG 3.25Å
91	L	80.1	Confident	78.2	Confident	12 Å²	12	63.5 Å²	63.5	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-43.5	176	-77.2	168.9	0	0	0	112.5	L24 I87 V93 T95 V115 I117	L24-L91 HydrophobicContact CD1-CD1 3.65Å; L24-L91 HydrophobicContact CD2-CD1 3.97Å; L24-L91 HydrophobicContact CG-CD1 4.35Å; I87-L91 HydrophobicContact CG2-CD1 4.18Å; I87-L91 PolarHBondContact O-N 2.78Å; L91-V93 PolarHBondContact O-N 2.92Å; L91-T95 WeakPolarHBondContact O-CB 3.3Å; L91-T95 VanDerWaalsContact O-CG2 3.29Å; L91-T95 WeakPolarHBondContact O-CG2 3.48Å; L91-T95 PolarHBondContact O-N 3.47Å; L91-T95 PolarHBondContact O-OG1 3.43Å; L91-V115 HydrophobicContact CD1-CG1 4.23Å; L91-I117 HydrophobicContact CD2-CB 4.34Å; L91-I117 HydrophobicContact CD2-CD1 4.17Å; L91-I117 HydrophobicContact CD2-CG1 3.92Å; L91-I117 HydrophobicContact CD2-CG2 3.86Å; L91-I117 HydrophobicContact CG-CD1 4.31Å; L91-I117 HydrophobicContact CG-CG1 4.41Å
92	A	80.8	Confident	80.1	Confident	49 Å²	49	56 Å²	56	41%	0.405	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-38.4	179.1	0	0	0	0	0	112.8	S88 R89 E90 R96	S88-A92 VanDerWaalsContact O-CB 3.31Å; S88-A92 WeakPolarHBondContact O-CB 3.36Å; S88-A92 PolarHBondContact O-N 3.05Å; R89-A92 PolarHBondContact O-N 3.49Å; E90-A92 PolarHBondContact O-N 2.83Å; A92-R96 WeakPolarHBondContact O-CD 3.45Å; A92-R96 WeakPolarHBondContact O-CG 3.43Å
93	V	78.5	Confident	81.8	Confident	21 Å²	21	49.2 Å²	49.2	13%	0.127	24%	0.244	C	C	.	.	H	α-helix	trans	-73.6	-49.6	176	172.1	0	0	0	0	110.1	R89 E90 L91 T95 R96 C97 V164 F187 I189	R89-V93 WeakPolarHBondContact O-CG2 3.42Å; R89-V93 PolarHBondContact O-N 3.05Å; E90-V93 PolarHBondContact O-N 3.5Å; L91-V93 PolarHBondContact O-N 2.92Å; V93-T95 PolarHBondContact O-N 3.34Å; V93-R96 PolarHBondContact O-N 3.29Å; V93-R96 VanDerWaalsContact O-N 3.11Å; V93-C97 PolarHBondContact O-N 3.35Å; V93-C97 VanDerWaalsContact O-N 3.16Å; V93-C97 PolarHBondContact O-SG 3.01Å; V93-V164 HydrophobicContact CG1-CG2 3.87Å; V93-V164 HydrophobicContact CG2-CG2 4.33Å; V93-F187 HydrophobicContact CB-CE2 4.11Å; V93-F187 HydrophobicContact CG1-CD2 3.98Å; V93-F187 HydrophobicContact CG1-CE2 3.61Å; V93-I189 HydrophobicContact CB-CD1 4.43Å; V93-I189 HydrophobicContact CG2-CD1 4.01Å
94	G	83	Confident	83.1	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-42.7	-174.4	0	0	0	0	0	113.5	E90 R96 C97	E90-G94 PolarHBondContact O-N 3.21Å; G94-R96 PolarHBondContact O-N 3.48Å; G94-C97 PolarHBondContact O-N 3.02Å; G94-C97 VanDerWaalsContact O-N 3.14Å
95	T	84.5	Confident	84.1	Confident	68 Å²	68	48.2 Å²	48.2	42%	0.417	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.4	177.6	55.5	0	0	0	0	113.8	L91 V93 C105	L91-T95 WeakPolarHBondContact O-CB 3.3Å; L91-T95 VanDerWaalsContact O-CG2 3.29Å; L91-T95 WeakPolarHBondContact O-CG2 3.48Å; L91-T95 PolarHBondContact O-N 3.47Å; L91-T95 PolarHBondContact O-OG1 3.43Å; V93-T95 PolarHBondContact O-N 3.34Å; T95-C105 WeakPolarHBondContact CA-O 3.47Å
96	R	83	Confident	85.2	Confident	190 Å²	190	46.1 Å²	46.1	72%	0.717	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-12.9	174.6	-68.7	174.9	62.9	-157.2	-3.4	113	A92 V93 G94 N98	A92-R96 WeakPolarHBondContact O-CD 3.45Å; A92-R96 WeakPolarHBondContact O-CG 3.43Å; V93-R96 PolarHBondContact O-N 3.29Å; V93-R96 VanDerWaalsContact O-N 3.11Å; G94-R96 PolarHBondContact O-N 3.48Å; R96-N98 PolarHBondContact O-N 3.4Å
97	C	87.3	Confident	86.2	Confident	8 Å²	8	44.6 Å²	44.6	5%	0.054	22%	0.219	C	C	.	.			trans	-77	123.7	-179.9	-71.2	0	0	0	0	110.3	V93 G94 V102 Y158	V93-C97 PolarHBondContact O-N 3.35Å; V93-C97 VanDerWaalsContact O-N 3.16Å; V93-C97 PolarHBondContact O-SG 3.01Å; G94-C97 PolarHBondContact O-N 3.02Å; G94-C97 VanDerWaalsContact O-N 3.14Å; C97-V102 HydrophobicContact CB-CG1 4.07Å; C97-Y158 HydrophobicContact CB-CE1 4.08Å
98	N	89	Confident	86.9	Confident	140 Å²	140	44.9 Å²	44.9	75%	0.749	22%	0.223	S	C	*	.			trans	-135.3	87.9	173	-176.1	13.6	0	0	0	108.8	R96 Y158	R96-N98 PolarHBondContact O-N 3.4Å; N98-Y158 PolarHBondContact N-OH 2.9Å; N98-Y158 VanDerWaalsContact N-OH 3.11Å
99	H	94.9	Very high	87.7	Confident	46 Å²	46	42.7 Å²	42.7	21%	0.213	21%	0.207	C	C	.	.			trans	-142.8	143.4	-179.5	-172.6	-97.6	0	0	0	110.6	S101 V102 Y158	H99-S101 PolarHBondContact ND1-N 2.89Å; H99-S101 VanDerWaalsContact ND1-N 3.14Å; H99-S101 PolarHBondContact O-N 2.74Å; H99-V102 HydrophobicContact CB-CB 4.22Å; H99-V102 HydrophobicContact CB-CG2 4.09Å; H99-V102 PolarHBondContact O-N 3.42Å; H99-V102 VanDerWaalsContact O-N 3.13Å; H99-Y158 HydrophobicContact CB-CD1 3.7Å; H99-Y158 HydrophobicContact CB-CD2 3.95Å; H99-Y158 HydrophobicContact CB-CE1 3.84Å; H99-Y158 HydrophobicContact CB-CE2 4.07Å; H99-Y158 HydrophobicContact CB-CG 3.75Å; H99-Y158 AromaticContact CD2-CD2 3.8Å; H99-Y158 AromaticContact CD2-CG 3.94Å; H99-Y158 AromaticContact CG-CD2 3.99Å; H99-Y158 AromaticContact CG-CG 3.76Å
100	R	95.5	Very high	88.4	Confident	89 Å²	89	36.9 Å²	36.9	34%	0.336	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.3	-176.1	66	175.4	-65.8	-80.8	-6.1	114	Y147 E154 K183	R100-Y147 PolarHBondContact NH2-OH 3.23Å; R100-E154 IonicContact CZ-OE2 2.64Å; R100-E154 IonicContact NH1-OE2 3.53Å; R100-E154 PolarHBondContact NH1-OE2 2.97Å; R100-K183 WeakPolarHBondContact O-CE 3.45Å
101	S	97.1	Very high	89.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	10.9	-176.6	-44.6	0	0	0	0	113.5	H99 S151 E154 A155 K183 V184	H99-S101 PolarHBondContact ND1-N 2.89Å; H99-S101 VanDerWaalsContact ND1-N 3.14Å; H99-S101 PolarHBondContact O-N 2.74Å; S101-S151 WeakPolarHBondContact CB-O 3.39Å; S101-S151 PolarHBondContact OG-O 2.9Å; S101-E154 PolarHBondContact OG-OE2 3.47Å; S101-A155 WeakPolarHBondContact O-CB 3.26Å; S101-K183 CarbonylContact O-C 3.58Å; S101-K183 VanDerWaalsContact O-CA 3.27Å; S101-K183 WeakPolarHBondContact O-CA 3.38Å; S101-V184 PolarHBondContact O-N 3.29Å
102	V	95.4	Very high	89.2	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.012	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-117.7	134.9	173.5	177.6	0	0	0	0	108.7	C97 H99 T104 A155 Y158 F187	C97-V102 HydrophobicContact CB-CG1 4.07Å; H99-V102 HydrophobicContact CB-CB 4.22Å; H99-V102 HydrophobicContact CB-CG2 4.09Å; H99-V102 PolarHBondContact O-N 3.42Å; H99-V102 VanDerWaalsContact O-N 3.13Å; V102-T104 PolarHBondContact O-N 2.95Å; V102-A155 HydrophobicContact CG2-CB 3.89Å; V102-Y158 HydrophobicContact CG2-CD1 3.97Å; V102-F187 HydrophobicContact CG1-CD1 4.43Å; V102-F187 HydrophobicContact CG1-CE1 4.09Å
103	V	94.3	Very high	89.2	Confident	6 Å²	6	43.9 Å²	43.9	4%	0.036	21%	0.214	C	C	.	.			trans	-64.5	125.5	176.8	172.8	0	0	0	0	109.9	C105 M119 E120 M122 L175 K183 V184 C185	V103-C105 PolarHBondContact O-N 3.44Å; V103-M119 HydrophobicContact CG1-CB 4.19Å; V103-E120 WeakPolarHBondContact CA-OE1 3.48Å; V103-E120 HydrophobicContact CG1-CG 3.84Å; V103-M122 HydrophobicContact CG2-CG 4.22Å; V103-L175 HydrophobicContact CG2-CD1 4.12Å; V103-K183 HydrophobicContact CG2-CB 3.61Å; V103-K183 HydrophobicContact CG2-CD 4.43Å; V103-V184 PolarHBondContact N-O 2.82Å; V103-C185 HydrophobicContact CB-CB 4.04Å; V103-C185 HydrophobicContact CG2-CB 3.82Å
104	T	92.5	Very high	89.5	Confident	35 Å²	35	44.3 Å²	44.3	22%	0.215	22%	0.216	C	C	.	.			trans	-69.1	119.9	178.2	-51.8	0	0	0	0	109.4	V102 Y106 M119 E120	V102-T104 PolarHBondContact O-N 2.95Å; T104-Y106 HydrophobicContact CG2-CD1 3.96Å; T104-Y106 HydrophobicContact CG2-CE1 3.74Å; T104-Y106 HydrophobicContact CG2-CG 4.45Å; T104-M119 VanDerWaalsContact O-CA 3.25Å; T104-M119 WeakPolarHBondContact O-CA 3.42Å; T104-E120 WeakPolarHBondContact CB-OE1 3.23Å; T104-E120 PolarHBondContact N-OE1 3.16Å; T104-E120 PolarHBondContact O-N 2.99Å; T104-E120 PolarHBondContact OG1-OE1 3.13Å
105	C	91.5	Very high	89.7	Confident	12 Å²	12	44.3 Å²	44.3	8%	0.081	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	113.5	166.9	169.4	0	0	0	0	108.1	T95 V103 I117 M119	T95-C105 WeakPolarHBondContact CA-O 3.47Å; V103-C105 PolarHBondContact O-N 3.44Å; C105-I117 VanDerWaalsContact SG-CG2 3.53Å; C105-M119 HydrophobicContact CB-CG 4.46Å
106	Y	92.2	Very high	90	Very high	49 Å²	49	41.5 Å²	41.5	19%	0.192	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-48.4	-176.3	-64.4	-73.5	0	0	0	112.4	M30 L32 F70 T104 V118 E120	M30-Y106 VanDerWaalsContact SD-CB 3.51Å; M30-Y106 HydrophobicContact SD-CG 4.18Å; L32-Y106 HydrophobicContact CD1-CE1 4.3Å; F70-Y106 AromaticContact CD1-CD2 3.79Å; F70-Y106 HydrophobicContact CD1-CD2 3.79Å; F70-Y106 AromaticContact CD1-CE2 3.7Å; F70-Y106 HydrophobicContact CD1-CE2 3.7Å; F70-Y106 AromaticContact CE1-CD2 3.71Å; F70-Y106 HydrophobicContact CE1-CD2 3.71Å; F70-Y106 AromaticContact CE1-CE2 3.58Å; F70-Y106 HydrophobicContact CE1-CE2 3.58Å; F70-Y106 HydrophobicContact CE1-CG 4.45Å; T104-Y106 HydrophobicContact CG2-CD1 3.96Å; T104-Y106 HydrophobicContact CG2-CE1 3.74Å; T104-Y106 HydrophobicContact CG2-CG 4.45Å; Y106-V118 HydrophobicContact CD2-CG1 4.38Å; Y106-V118 PolarHBondContact N-O 3.47Å; Y106-E120 HydrophobicContact CE2-CB 3.96Å; Y106-E120 VanDerWaalsContact CE2-N 3.31Å
107	C	91.2	Very high	90.4	Very high	7 Å²	7	32.6 Å²	32.6	5%	0.047	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	169.7	-179.4	64.2	0	0	0	0	112.5	A28 M30 V118	A28-C107 HydrophobicContact CB-CB 3.78Å; M30-C107 HydrophobicContact CB-CB 4.37Å; C107-V118 PolarHBondContact O-N 3.39Å
108	G	90.4	Very high	90.7	Very high	8 Å²	8	32.2 Å²	32.2	8%	0.082	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.3	165.8	0	0	0	0	0	110.7	L116	G108-L116 CarbonylContact C-O 3.57Å; G108-L116 WeakPolarHBondContact CA-O 3.32Å
109	L	92.3	Very high	90.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	155.6	173.3	-58.5	167.8	0	0	0	109	K25 A28 I39 A41 L44 V115 L116 V118	K25-L109 CarbonylContact O-C 3.56Å; K25-L109 WeakPolarHBondContact O-CA 3.35Å; A28-L109 HydrophobicContact CB-CD2 3.58Å; I39-L109 HydrophobicContact CG2-CD1 4.34Å; I39-L109 HydrophobicContact CG2-CD2 4.4Å; A41-L109 HydrophobicContact CB-CB 4.48Å; A41-L109 HydrophobicContact CB-CD1 4.18Å; L44-L109 HydrophobicContact CD1-CD1 3.87Å; L109-V115 CarbonylContact O-C 3.48Å; L109-V115 WeakPolarHBondContact O-CA 3.3Å; L109-L116 HydrophobicContact CB-CB 4.15Å; L109-L116 PolarHBondContact N-O 3.44Å; L109-L116 PolarHBondContact O-N 3.4Å; L109-V118 HydrophobicContact CD1-CG2 4.03Å
110	F	88.4	Confident	90.9	Very high	19 Å²	19	25.2 Å²	25.2	8%	0.083	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.7	169.4	-176	-96.1	0	0	0	109.2	F20 P21 L24 K25 E26 V77 D114 V115	F20-F110 HydrophobicContact CD1-CB 4.04Å; F20-F110 AromaticContact CD1-CD1 3.39Å; F20-F110 HydrophobicContact CD1-CD1 3.39Å; F20-F110 HydrophobicContact CD1-CE1 4.17Å; F20-F110 HydrophobicContact CD1-CG 4.03Å; F20-F110 AromaticContact CE1-CD1 3.83Å; F20-F110 HydrophobicContact CE1-CD1 3.83Å; P21-F110 HydrophobicContact CB-CD2 4.28Å; P21-F110 HydrophobicContact CB-CE2 4.03Å; P21-F110 VanDerWaalsContact CD-CZ 3.4Å; P21-F110 HydrophobicContact CG-CD2 4.03Å; P21-F110 HydrophobicContact CG-CE1 4.29Å; P21-F110 HydrophobicContact CG-CE2 3.41Å; P21-F110 VanDerWaalsContact CG-CE2 3.41Å; P21-F110 HydrophobicContact CG-CZ 3.52Å; L24-F110 HydrophobicContact CB-CB 3.81Å; K25-F110 PolarHBondContact O-N 3.47Å; E26-F110 WeakPolarHBondContact CA-O 3.34Å; E26-F110 VanDerWaalsContact CG-O 3.26Å; E26-F110 WeakPolarHBondContact CG-O 3.22Å; E26-F110 PolarHBondContact N-O 3.38Å; V77-F110 HydrophobicContact CB-CE2 4.4Å; V77-F110 HydrophobicContact CG2-CD2 4.38Å; V77-F110 HydrophobicContact CG2-CE2 3.85Å; F110-D114 WeakPolarHBondContact CA-O 3.22Å; F110-D114 WeakPolarHBondContact CD2-O 3.49Å; F110-V115 HydrophobicContact CD2-CG2 4.09Å
111	C	88.3	Confident	90.9	Very high	26 Å²	26	22.7 Å²	22.7	18%	0.176	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	131.5	-177.3	-170	0	0	0	0	109.3	A41 G113 D114 L116	A41-C111 HydrophobicContact CB-CB 3.59Å; C111-G113 PolarHBondContact O-N 3.18Å; C111-D114 PolarHBondContact N-O 3.03Å; C111-D114 PolarHBondContact O-N 3.02Å; C111-L116 HydrophobicContact CB-CD1 4.17Å; C111-L116 HydrophobicContact CB-CD2 4.44Å
112	E	83.9	Confident	90.8	Very high	188 Å²	188	23.2 Å²	23.2	88%	0.879	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	30.8	173.8	-62	-179.6	173.6	0	0	115.3	D114	E112-D114 VanDerWaalsContact C-N 3.32Å
113	G	79.8	Confident	90.8	Very high	7 Å²	7	24.8 Å²	24.8	7%	0.072	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-5.2	-179.5	0	0	0	0	0	115	V77 C111	V77-G113 WeakPolarHBondContact CB-O 3.37Å; V77-G113 PolarHBondContact N-O 3.42Å; C111-G113 PolarHBondContact O-N 3.18Å
114	D	85.1	Confident	90.8	Very high	30 Å²	30	24.9 Å²	24.9	16%	0.16	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144.3	176.4	-71.9	-12	0	0	0	110.9	R57 I75 S76 F110 C111 E112 L116	R57-D114 IonicContact NH1-OD2 2.9Å; I75-D114 WeakPolarHBondContact O-CA 3.45Å; S76-D114 VanDerWaalsContact CA-OD1 3.23Å; S76-D114 WeakPolarHBondContact CA-OD1 3.41Å; S76-D114 WeakPolarHBondContact CB-OD1 3.45Å; S76-D114 PolarHBondContact OG-OD1 3.15Å; F110-D114 WeakPolarHBondContact CA-O 3.22Å; F110-D114 WeakPolarHBondContact CD2-O 3.49Å; C111-D114 PolarHBondContact N-O 3.03Å; C111-D114 PolarHBondContact O-N 3.02Å; E112-D114 VanDerWaalsContact C-N 3.32Å; D114-L116 HydrophobicContact CB-CD1 3.84Å
115	V	87.2	Confident	90.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127.6	162.6	173.1	0	0	0	0	108.1	L22 L24 H74 I75 V77 I87 L91 L109 F110 I117	L22-V115 HydrophobicContact CD1-CG2 3.76Å; L24-V115 HydrophobicContact CD1-CB 4.45Å; L24-V115 HydrophobicContact CD1-CG1 3.7Å; L24-V115 HydrophobicContact CD1-CG2 3.97Å; H74-V115 CarbonylContact C-O 3.56Å; H74-V115 WeakPolarHBondContact CA-O 3.49Å; I75-V115 HydrophobicContact CB-CB 4.38Å; I75-V115 PolarHBondContact N-O 3.46Å; I75-V115 PolarHBondContact O-N 3.49Å; V77-V115 HydrophobicContact CG2-CB 4.42Å; V77-V115 HydrophobicContact CG2-CG2 3.5Å; V77-V115 VanDerWaalsContact CG2-CG2 3.5Å; I87-V115 HydrophobicContact CG2-CB 4.32Å; I87-V115 HydrophobicContact CG2-CG1 3.81Å; I87-V115 HydrophobicContact CG2-CG2 4.3Å; L91-V115 HydrophobicContact CD1-CG1 4.23Å; L109-V115 CarbonylContact O-C 3.48Å; L109-V115 WeakPolarHBondContact O-CA 3.3Å; F110-V115 HydrophobicContact CD2-CG2 4.09Å; V115-I117 HydrophobicContact CG1-CG1 4.17Å
116	L	91.2	Very high	91.2	Very high	10 Å²	10	23 Å²	23	5%	0.052	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.8	176.9	-77.7	62.4	0	0	0	107.9	A41 V72 K73 G108 L109 C111 D114	A41-L116 HydrophobicContact CB-CD2 4.4Å; V72-L116 HydrophobicContact CG1-CB 3.91Å; V72-L116 HydrophobicContact CG1-CD2 4.24Å; V72-L116 HydrophobicContact CG1-CG 4Å; K73-L116 WeakPolarHBondContact O-CA 3.49Å; G108-L116 CarbonylContact C-O 3.57Å; G108-L116 WeakPolarHBondContact CA-O 3.32Å; L109-L116 HydrophobicContact CB-CB 4.15Å; L109-L116 PolarHBondContact N-O 3.44Å; L109-L116 PolarHBondContact O-N 3.4Å; C111-L116 HydrophobicContact CB-CD1 4.17Å; C111-L116 HydrophobicContact CB-CD2 4.44Å; D114-L116 HydrophobicContact CB-CD1 3.84Å
117	I	90.7	Very high	91.3	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.4	173.5	-50.9	-173.5	0	0	0	108	V72 K73 I75 E90 L91 C105 V115 M119	V72-I117 WeakPolarHBondContact CA-O 3.14Å; K73-I117 HydrophobicContact CB-CB 4.27Å; K73-I117 PolarHBondContact N-O 2.85Å; K73-I117 PolarHBondContact O-N 2.97Å; I75-I117 HydrophobicContact CD1-CD1 3.69Å; I75-I117 HydrophobicContact CD1-CG1 4.31Å; E90-I117 HydrophobicContact CG-CD1 4.48Å; L91-I117 HydrophobicContact CD2-CB 4.34Å; L91-I117 HydrophobicContact CD2-CD1 4.17Å; L91-I117 HydrophobicContact CD2-CG1 3.92Å; L91-I117 HydrophobicContact CD2-CG2 3.86Å; L91-I117 HydrophobicContact CG-CD1 4.31Å; L91-I117 HydrophobicContact CG-CG1 4.41Å; C105-I117 VanDerWaalsContact SG-CG2 3.53Å; V115-I117 HydrophobicContact CG1-CG1 4.17Å; I117-M119 HydrophobicContact CG2-CG 3.88Å; I117-M119 HydrophobicContact CG2-SD 4.19Å
118	V	93.5	Very high	91.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	120.2	-178.5	-175	0	0	0	0	108.9	M30 I39 L44 F70 Y106 C107 L109	M30-V118 HydrophobicContact SD-CG1 4.4Å; I39-V118 HydrophobicContact CD1-CG1 4.5Å; L44-V118 HydrophobicContact CD1-CG2 4Å; F70-V118 HydrophobicContact CB-CG1 3.84Å; F70-V118 HydrophobicContact CD1-CG1 3.68Å; F70-V118 HydrophobicContact CD2-CG1 4.12Å; F70-V118 HydrophobicContact CE1-CG1 4.25Å; F70-V118 HydrophobicContact CG-CG1 3.6Å; Y106-V118 HydrophobicContact CD2-CG1 4.38Å; Y106-V118 PolarHBondContact N-O 3.47Å; C107-V118 PolarHBondContact O-N 3.39Å; L109-V118 HydrophobicContact CD1-CG2 4.03Å
119	M	94.1	Very high	91.8	Very high	24 Å²	24	25.9 Å²	25.9	12%	0.118	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	161.4	-173	-55.6	175.8	-65.8	0	0	111.1	A71 K73 V103 T104 C105 I117	A71-M119 HydrophobicContact CB-CE 4.44Å; A71-M119 PolarHBondContact N-O 2.68Å; A71-M119 PolarHBondContact O-N 3.02Å; K73-M119 HydrophobicContact CB-CE 3.65Å; V103-M119 HydrophobicContact CG1-CB 4.19Å; T104-M119 VanDerWaalsContact O-CA 3.25Å; T104-M119 WeakPolarHBondContact O-CA 3.42Å; C105-M119 HydrophobicContact CB-CG 4.46Å; I117-M119 HydrophobicContact CG2-CG 3.88Å; I117-M119 HydrophobicContact CG2-SD 4.19Å
120	E	94.3	Very high	92	Very high	15 Å²	15	26.2 Å²	26.2	7%	0.07	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	143.8	169.5	69.9	-179.5	128.6	0	0	111	V103 T104 Y106 M122 K183	V103-E120 WeakPolarHBondContact CA-OE1 3.48Å; V103-E120 HydrophobicContact CG1-CG 3.84Å; T104-E120 WeakPolarHBondContact CB-OE1 3.23Å; T104-E120 PolarHBondContact N-OE1 3.16Å; T104-E120 PolarHBondContact O-N 2.99Å; T104-E120 PolarHBondContact OG1-OE1 3.13Å; Y106-E120 HydrophobicContact CE2-CB 3.96Å; Y106-E120 VanDerWaalsContact CE2-N 3.31Å; E120-M122 HydrophobicContact CG-SD 4.35Å; E120-K183 VanDerWaalsContact OE1-CD 3.29Å; E120-K183 WeakPolarHBondContact OE1-CD 3.13Å; E120-K183 IonicContact OE1-NZ 2.65Å; E120-K183 PolarHBondContact OE1-NZ 2.97Å; E120-K183 IonicContact OE2-NZ 3.92Å; E120-K183 PolarHBondContact OE2-NZ 3.14Å
121	L	95.5	Very high	92.4	Very high	35 Å²	35	31 Å²	31	18%	0.183	15%	0.153	C	C	.	.			trans	-81	130.6	177	-178.9	68.9	0	0	0	109.9	L50 K60 V69 A71	L50-L121 HydrophobicContact CD1-CD1 3.69Å; K60-L121 HydrophobicContact CD-CD1 4.4Å; K60-L121 HydrophobicContact CD-CD2 4.02Å; K60-L121 HydrophobicContact CG-CD1 4.17Å; K60-L121 HydrophobicContact CG-CD2 4.18Å; V69-L121 HydrophobicContact CB-CD2 4.47Å; V69-L121 HydrophobicContact CG1-CD2 3.91Å; A71-L121 HydrophobicContact CB-CD1 4.21Å
122	M	95.6	Very high	92.7	Very high	12 Å²	12	32 Å²	32	6%	0.059	15%	0.154	C	C	.	.			trans	-114	147.1	166.7	-53.8	-63.3	-65.8	0	0	108.5	V103 E120 L175 D177 K183	V103-M122 HydrophobicContact CG2-CG 4.22Å; E120-M122 HydrophobicContact CG-SD 4.35Å; M122-L175 HydrophobicContact CB-CB 3.61Å; M122-L175 HydrophobicContact CB-CD1 3.93Å; M122-L175 HydrophobicContact CB-CG 4.39Å; M122-L175 HydrophobicContact CE-CB 4.31Å; M122-L175 HydrophobicContact CG-CB 3.64Å; M122-L175 HydrophobicContact CG-CD1 3.8Å; M122-L175 HydrophobicContact CG-CG 4.39Å; M122-D177 HydrophobicContact CE-CB 3.94Å; M122-D177 HydrophobicContact SD-CB 4.41Å; M122-K183 HydrophobicContact CE-CB 4.04Å; M122-K183 HydrophobicContact CE-CD 4.12Å; M122-K183 HydrophobicContact CE-CG 3.91Å; M122-K183 HydrophobicContact SD-CD 3.97Å; M122-K183 HydrophobicContact SD-CG 4.39Å
123	D	94	Very high	93.4	Very high	35 Å²	35	23 Å²	23	19%	0.187	11%	0.112	C	C	.	.	S	Bend	trans	-80.7	-33.5	-170.7	-63.9	-58.2	0	0	0	112.9	A176 D177 C178 L322 E326	D123-A176 PolarHBondContact N-O 3.05Å; D123-D177 WeakPolarHBondContact OD2-CA 3.41Å; D123-D177 WeakPolarHBondContact OD2-CB 3.35Å; D123-C178 PolarHBondContact OD2-N 3.07Å; D123-L322 HydrophobicContact CB-CD2 4.27Å; D123-E326 HydrophobicContact CB-CB 4.36Å
124	T	94.2	Very high	94.2	Very high	7 Å²	7	25 Å²	25	4%	0.043	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	164.8	179.7	-154.2	0	0	0	0	112.7	L129 L175 A176 L318 L322	T124-L129 HydrophobicContact CG2-CB 4.22Å; T124-L175 CarbonylContact O-C 3.39Å; T124-L175 WeakPolarHBondContact O-CA 3.37Å; T124-A176 HydrophobicContact CG2-CB 4.18Å; T124-A176 PolarHBondContact N-O 2.92Å; T124-A176 PolarHBondContact O-N 3.31Å; T124-L318 HydrophobicContact CG2-CD1 4.15Å; T124-L322 HydrophobicContact CG2-CD2 4.29Å
125	S	95.4	Very high	94.7	Very high	9 Å²	9	30.3 Å²	30.3	6%	0.063	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	152.1	168.3	55.3	0	0	0	0	109.8	D127 K128 L129 M174	S125-D127 VanDerWaalsContact CB-OD1 3.23Å; S125-D127 WeakPolarHBondContact CB-OD1 3.13Å; S125-D127 PolarHBondContact O-N 2.92Å; S125-D127 PolarHBondContact OG-OD1 2.91Å; S125-K128 WeakPolarHBondContact O-CB 3.44Å; S125-K128 PolarHBondContact O-N 3.27Å; S125-K128 VanDerWaalsContact O-N 3.07Å; S125-K128 WeakPolarHBondContact OG-CD 3.37Å; S125-K128 WeakPolarHBondContact OG-CG 3.48Å; S125-L129 PolarHBondContact O-N 3.07Å; S125-M174 CarbonylContact C-O 3.23Å; S125-M174 WeakPolarHBondContact CA-O 3.16Å
126	L	97.5	Very high	95.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.1	-25.8	-176.6	-67	-172.6	0	0	0	112.8	L129 L130 I148 P171 M174 A176 L237 F314	L126-L129 HydrophobicContact CD2-CD2 3.98Å; L126-L130 WeakPolarHBondContact O-CB 3.42Å; L126-L130 PolarHBondContact O-N 3.32Å; L126-I148 HydrophobicContact CD1-CG2 3.38Å; L126-I148 HydrophobicContact CD2-CD1 4.34Å; L126-P171 HydrophobicContact CB-CB 4.09Å; L126-P171 WeakPolarHBondContact CB-O 3.31Å; L126-P171 PolarHBondContact N-O 3.16Å; L126-P171 VanDerWaalsContact N-O 3.12Å; L126-M174 HydrophobicContact CB-CB 4.17Å; L126-M174 HydrophobicContact CD1-CB 3.47Å; L126-M174 VanDerWaalsContact CD1-CB 3.47Å; L126-M174 HydrophobicContact CD1-CG 4.29Å; L126-M174 HydrophobicContact CD1-SD 3.9Å; L126-M174 HydrophobicContact CG-CB 3.73Å; L126-M174 WeakPolarHBondContact CG-O 3.03Å; L126-M174 PolarHBondContact N-O 3.46Å; L126-A176 HydrophobicContact CD2-CB 4.44Å; L126-L237 HydrophobicContact CB-CD2 4.16Å; L126-L237 HydrophobicContact CD1-CD1 4.09Å; L126-F314 HydrophobicContact CD2-CZ 4.2Å
127	D	95.2	Very high	95.3	Very high	31 Å²	31	40.1 Å²	40.1	17%	0.166	21%	0.205	C	C	.	.	H	α-helix	trans	-67.3	-36.1	172.2	80.3	-63.5	0	0	0	112.5	S125 K131 P171 S172	S125-D127 VanDerWaalsContact CB-OD1 3.23Å; S125-D127 WeakPolarHBondContact CB-OD1 3.13Å; S125-D127 PolarHBondContact O-N 2.92Å; S125-D127 PolarHBondContact OG-OD1 2.91Å; D127-K131 WeakPolarHBondContact O-CG 3.34Å; D127-K131 PolarHBondContact O-N 3.42Å; D127-K131 IonicContact OD2-NZ 3.18Å; D127-K131 PolarHBondContact OD2-NZ 2.93Å; D127-P171 HydrophobicContact CB-CB 4.03Å; D127-P171 PolarHBondContact N-O 3.38Å; D127-S172 WeakPolarHBondContact OD1-CA 3.38Å
128	K	94.9	Very high	95.5	Very high	91 Å²	91	47 Å²	47	40%	0.396	23%	0.231	S	C	.	.	H	α-helix	trans	-70.8	-45.9	174.3	-70.1	175.6	-174.6	175.1	0	110.3	L50 S125 K131 K132	L50-K128 PolarHBondContact O-NZ 3.32Å; S125-K128 WeakPolarHBondContact O-CB 3.44Å; S125-K128 PolarHBondContact O-N 3.27Å; S125-K128 VanDerWaalsContact O-N 3.07Å; S125-K128 WeakPolarHBondContact OG-CD 3.37Å; S125-K128 WeakPolarHBondContact OG-CG 3.48Å; K128-K131 PolarHBondContact O-N 2.87Å; K128-K132 PolarHBondContact O-N 3.37Å; K128-K132 VanDerWaalsContact O-N 3.07Å
129	L	96.6	Very high	95.6	Very high	1 Å²	1	51 Å²	51	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-46	176.6	-178.6	59.8	0	0	0	111.5	T124 S125 L126 K131 K132 V133 F140 F314 L318 Y321	T124-L129 HydrophobicContact CG2-CB 4.22Å; S125-L129 PolarHBondContact O-N 3.07Å; L126-L129 HydrophobicContact CD2-CD2 3.98Å; L129-K131 VanDerWaalsContact C-N 3.33Å; L129-K131 PolarHBondContact O-N 3.4Å; L129-K132 PolarHBondContact O-N 3.4Å; L129-K132 VanDerWaalsContact O-N 3.09Å; L129-V133 HydrophobicContact CD1-CG2 4.03Å; L129-V133 HydrophobicContact CG-CG2 4.18Å; L129-V133 VanDerWaalsContact O-CG2 3.27Å; L129-V133 WeakPolarHBondContact O-CG2 3.35Å; L129-V133 PolarHBondContact O-N 3.13Å; L129-F140 HydrophobicContact CD2-CE1 3.88Å; L129-F140 HydrophobicContact CD2-CZ 4.16Å; L129-F140 HydrophobicContact CG-CE1 4.19Å; L129-F140 HydrophobicContact CG-CZ 3.99Å; L129-F314 HydrophobicContact CD2-CE2 3.75Å; L129-F314 HydrophobicContact CD2-CZ 3.83Å; L129-L318 HydrophobicContact CD1-CD1 3.72Å; L129-L318 HydrophobicContact CD2-CD1 3.74Å; L129-L318 HydrophobicContact CG-CD1 4.34Å; L129-Y321 HydrophobicContact CD1-CD2 4.13Å; L129-Y321 HydrophobicContact CD1-CG 3.97Å
130	L	97.1	Very high	95.7	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-49.9	-53	174.1	178.2	101.8	0	0	0	111.1	L126 K132 V133 Y134 F140 E236 L237	L126-L130 WeakPolarHBondContact O-CB 3.42Å; L126-L130 PolarHBondContact O-N 3.32Å; L130-K132 VanDerWaalsContact C-N 3.35Å; L130-K132 PolarHBondContact O-N 3.33Å; L130-V133 PolarHBondContact O-N 3.39Å; L130-Y134 HydrophobicContact CD1-CD2 4.08Å; L130-Y134 HydrophobicContact CD1-CE2 3.82Å; L130-Y134 HydrophobicContact CG-CD2 4.09Å; L130-Y134 HydrophobicContact CG-CE2 4.35Å; L130-Y134 WeakPolarHBondContact O-CD2 3.32Å; L130-Y134 PolarHBondContact O-N 3.17Å; L130-F140 HydrophobicContact CB-CE2 4.45Å; L130-F140 HydrophobicContact CD1-CE2 4.15Å; L130-E236 HydrophobicContact CD1-CG 4.31Å; L130-E236 WeakPolarHBondContact CD1-O 3.31Å; L130-E236 HydrophobicContact CD2-CG 3.97Å; L130-L237 HydrophobicContact CB-CD2 4.46Å; L130-L237 VanDerWaalsContact CD1-CA 3.48Å; L130-L237 HydrophobicContact CD1-CD2 3.86Å
131	K	96	Very high	95.8	Very high	120 Å²	120	52 Å²	52	52%	0.522	26%	0.263	S	S	.	.	H	α-helix	trans	-57.9	-46.1	177.9	-70.5	165.2	-174.3	159.3	0	111.5	D127 K128 L129 V133 N135	D127-K131 WeakPolarHBondContact O-CG 3.34Å; D127-K131 PolarHBondContact O-N 3.42Å; D127-K131 IonicContact OD2-NZ 3.18Å; D127-K131 PolarHBondContact OD2-NZ 2.93Å; K128-K131 PolarHBondContact O-N 2.87Å; L129-K131 VanDerWaalsContact C-N 3.33Å; L129-K131 PolarHBondContact O-N 3.4Å; K131-V133 PolarHBondContact O-N 2.8Å; K131-N135 WeakPolarHBondContact O-CB 3.34Å; K131-N135 PolarHBondContact O-N 3Å; K131-N135 PolarHBondContact O-ND2 2.92Å
132	K	95.7	Very high	95.8	Very high	46 Å²	46	53.2 Å²	53.2	20%	0.2	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-43.8	178.1	-68.7	-174.4	177.2	-172	0	111.8	K128 L129 L130 R136 Y321 D323 E326	K128-K132 PolarHBondContact O-N 3.37Å; K128-K132 VanDerWaalsContact O-N 3.07Å; L129-K132 PolarHBondContact O-N 3.4Å; L129-K132 VanDerWaalsContact O-N 3.09Å; L130-K132 VanDerWaalsContact C-N 3.35Å; L130-K132 PolarHBondContact O-N 3.33Å; K132-R136 WeakPolarHBondContact O-CG 3.45Å; K132-R136 PolarHBondContact O-N 2.74Å; K132-Y321 HydrophobicContact CB-CD1 4.13Å; K132-Y321 WeakPolarHBondContact CD-O 3.47Å; K132-Y321 PolarHBondContact NZ-O 2.81Å; K132-D323 IonicContact NZ-OD1 2.66Å; K132-D323 PolarHBondContact NZ-OD1 3.23Å; K132-D323 IonicContact NZ-OD2 3.71Å; K132-D323 PolarHBondContact NZ-OD2 3.08Å; K132-E326 IonicContact NZ-OE1 2.69Å; K132-E326 IonicContact NZ-OE2 3.67Å; K132-E326 PolarHBondContact NZ-OE2 3.19Å
133	V	97.4	Very high	95.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.8	-54.3	-179.3	171.6	0	0	0	0	111.4	L129 L130 K131 R136 R138 F140 F317 Y321	L129-V133 HydrophobicContact CD1-CG2 4.03Å; L129-V133 HydrophobicContact CG-CG2 4.18Å; L129-V133 VanDerWaalsContact O-CG2 3.27Å; L129-V133 WeakPolarHBondContact O-CG2 3.35Å; L129-V133 PolarHBondContact O-N 3.13Å; L130-V133 PolarHBondContact O-N 3.39Å; K131-V133 PolarHBondContact O-N 2.8Å; V133-R136 PolarHBondContact O-N 2.74Å; V133-R138 HydrophobicContact CG1-CB 4.07Å; V133-R138 PolarHBondContact O-N 2.99Å; V133-R138 VanDerWaalsContact O-N 3.16Å; V133-F140 HydrophobicContact CB-CE2 4.12Å; V133-F140 HydrophobicContact CB-CZ 4.47Å; V133-F140 HydrophobicContact CG1-CD2 4.17Å; V133-F140 HydrophobicContact CG1-CE2 4.1Å; V133-F140 HydrophobicContact CG2-CE2 4.14Å; V133-F140 HydrophobicContact CG2-CZ 4Å; V133-F317 HydrophobicContact CG1-CZ 4.08Å; V133-F317 HydrophobicContact CG2-CE1 3.91Å; V133-F317 HydrophobicContact CG2-CZ 3.57Å; V133-Y321 HydrophobicContact CB-CE1 4.21Å; V133-Y321 HydrophobicContact CG2-CD1 3.99Å; V133-Y321 HydrophobicContact CG2-CD2 4.09Å; V133-Y321 HydrophobicContact CG2-CE1 3.77Å; V133-Y321 HydrophobicContact CG2-CE2 3.9Å; V133-Y321 HydrophobicContact CG2-CG 4.15Å
134	Y	96.8	Very high	96	Very high	49 Å²	49	54.8 Å²	54.8	19%	0.192	28%	0.281	C	S	.	.	H	α-helix	trans	-74.8	-30.3	-175.1	-77.1	-89.9	0	0	0	113.2	L130 R136 G137 T139 F140 L237 A238 T239 G240	L130-Y134 HydrophobicContact CD1-CD2 4.08Å; L130-Y134 HydrophobicContact CD1-CE2 3.82Å; L130-Y134 HydrophobicContact CG-CD2 4.09Å; L130-Y134 HydrophobicContact CG-CE2 4.35Å; L130-Y134 WeakPolarHBondContact O-CD2 3.32Å; L130-Y134 PolarHBondContact O-N 3.17Å; Y134-R136 PolarHBondContact O-N 3.27Å; Y134-G137 PolarHBondContact O-N 2.84Å; Y134-T139 HydrophobicContact CE1-CG2 3.86Å; Y134-F140 AromaticContact CE2-CD2 3.95Å; Y134-F140 HydrophobicContact CE2-CD2 3.95Å; Y134-F140 HydrophobicContact CE2-CE2 4Å; Y134-L237 WeakPolarHBondContact CE2-O 3.19Å; Y134-L237 PolarHBondContact OH-O 3.33Å; Y134-A238 PolarHBondContact OH-O 3.1Å; Y134-T239 VanDerWaalsContact CE1-C 3.48Å; Y134-T239 WeakPolarHBondContact CE1-O 3.2Å; Y134-T239 PolarHBondContact OH-N 3.4Å; Y134-G240 VanDerWaalsContact CD2-CA 3.43Å; Y134-G240 PolarHBondContact OH-N 2.94Å
135	N	96.1	Very high	96.2	Very high	141 Å²	141	54.7 Å²	54.7	75%	0.754	28%	0.28	S	S	*	.	H	α-helix	trans	-64.4	-23.5	172.6	-73.4	-12.9	0	0	0	112.7	K131 G137	K131-N135 WeakPolarHBondContact O-CB 3.34Å; K131-N135 PolarHBondContact O-N 3Å; K131-N135 PolarHBondContact O-ND2 2.92Å; N135-G137 VanDerWaalsContact C-N 3.29Å
136	R	95.6	Very high	96.3	Very high	145 Å²	145	54.5 Å²	54.5	55%	0.547	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	8.8	172.6	-66	-175.9	-174.8	176.9	3	113.1	K132 V133 Y134 R138 D320	K132-R136 WeakPolarHBondContact O-CG 3.45Å; K132-R136 PolarHBondContact O-N 2.74Å; V133-R136 PolarHBondContact O-N 2.74Å; Y134-R136 PolarHBondContact O-N 3.27Å; R136-R138 VanDerWaalsContact C-N 3.26Å; R136-R138 HydrophobicContact CB-CG 4.34Å; R136-R138 PolarHBondContact O-N 3.39Å; R136-D320 PolarHBondContact NH1-O 3.31Å
137	G	94.8	Very high	96.4	Very high	72 Å²	72	54.5 Å²	54.5	74%	0.742	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	24.3	-178.8	0	0	0	0	0	113.7	Y134 N135	Y134-G137 PolarHBondContact O-N 2.84Å; N135-G137 VanDerWaalsContact C-N 3.29Å
138	R	95.7	Very high	96.6	Very high	148 Å²	148	53 Å²	53	56%	0.558	27%	0.271	S	S	*	.			trans	-107.6	166.8	178.5	-57.5	-69.2	-76.7	-122.6	-7.4	110.2	V133 R136	V133-R138 HydrophobicContact CG1-CB 4.07Å; V133-R138 PolarHBondContact O-N 2.99Å; V133-R138 VanDerWaalsContact O-N 3.16Å; R136-R138 VanDerWaalsContact C-N 3.26Å; R136-R138 HydrophobicContact CB-CG 4.34Å; R136-R138 PolarHBondContact O-N 3.39Å
139	T	95.2	Very high	96.8	Very high	82 Å²	82	48.8 Å²	48.8	50%	0.503	25%	0.253	S	S	.	.			trans	-126.1	164.5	172.4	61.9	0	0	0	0	109.5	Y134 P141	Y134-T139 HydrophobicContact CE1-CG2 3.86Å; T139-P141 WeakPolarHBondContact O-CD 3.4Å
140	F	96.6	Very high	96.9	Very high	12 Å²	12	49.4 Å²	49.4	5%	0.053	26%	0.256	C	S	.	.			trans	-69.1	127.2	169.7	-71.4	-99.5	0	0	0	109.4	L129 L130 V133 Y134 V144 L145 I148 L237 F317	L129-F140 HydrophobicContact CD2-CE1 3.88Å; L129-F140 HydrophobicContact CD2-CZ 4.16Å; L129-F140 HydrophobicContact CG-CE1 4.19Å; L129-F140 HydrophobicContact CG-CZ 3.99Å; L130-F140 HydrophobicContact CB-CE2 4.45Å; L130-F140 HydrophobicContact CD1-CE2 4.15Å; V133-F140 HydrophobicContact CB-CE2 4.12Å; V133-F140 HydrophobicContact CB-CZ 4.47Å; V133-F140 HydrophobicContact CG1-CD2 4.17Å; V133-F140 HydrophobicContact CG1-CE2 4.1Å; V133-F140 HydrophobicContact CG2-CE2 4.14Å; V133-F140 HydrophobicContact CG2-CZ 4Å; Y134-F140 AromaticContact CE2-CD2 3.95Å; Y134-F140 HydrophobicContact CE2-CD2 3.95Å; Y134-F140 HydrophobicContact CE2-CE2 4Å; F140-V144 HydrophobicContact CD1-CG1 4.11Å; F140-L145 HydrophobicContact CB-CB 4.37Å; F140-I148 HydrophobicContact CD1-CD1 3.97Å; F140-I148 HydrophobicContact CE1-CD1 3.98Å; F140-L237 VanDerWaalsContact CD2-O 3.31Å; F140-L237 WeakPolarHBondContact CD2-O 3.21Å; F140-L237 HydrophobicContact CE2-CD2 4.22Å; F140-L237 HydrophobicContact CZ-CD2 4.12Å; F140-F317 AromaticContact CD1-CE1 3.69Å; F140-F317 HydrophobicContact CD1-CE1 3.69Å; F140-F317 AromaticContact CD1-CZ 3.95Å; F140-F317 HydrophobicContact CD1-CZ 3.95Å; F140-F317 AromaticContact CE1-CE1 3.7Å; F140-F317 HydrophobicContact CE1-CE1 3.7Å; F140-F317 HydrophobicContact CE1-CZ 4.22Å; F140-F317 HydrophobicContact CG-CE1 4.49Å; F140-F317 HydrophobicContact CG-CZ 4.32Å; F140-F317 HydrophobicContact CZ-CE1 4.5Å
141	P	96	Very high	97	Very high	49 Å²	49	49 Å²	49	32%	0.318	25%	0.254	S	S	.	.			trans	-55.8	148.7	166	-25.3	35.7	0	0	0	110.8	T139 D143 V144 L145 F317	T139-P141 WeakPolarHBondContact O-CD 3.4Å; P141-D143 VanDerWaalsContact C-N 3.35Å; P141-D143 WeakPolarHBondContact CB-OD1 3.31Å; P141-D143 PolarHBondContact O-N 2.91Å; P141-V144 HydrophobicContact CB-CB 4.19Å; P141-V144 HydrophobicContact CB-CG2 4.04Å; P141-V144 HydrophobicContact CG-CB 4.47Å; P141-V144 HydrophobicContact CG-CG2 4.13Å; P141-V144 PolarHBondContact O-N 3.34Å; P141-L145 PolarHBondContact O-N 3.37Å; P141-F317 HydrophobicContact CG-CD2 3.95Å; P141-F317 HydrophobicContact CG-CE2 4.13Å
142	T	95.1	Very high	97.1	Very high	60 Å²	60	43.4 Å²	43.4	37%	0.368	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-41.4	-175.4	-67.8	0	0	0	0	112.2	L145 A146 P272 F301	T142-L145 PolarHBondContact O-N 3.04Å; T142-A146 WeakPolarHBondContact O-CB 3.29Å; T142-A146 PolarHBondContact O-N 2.8Å; T142-P272 HydrophobicContact CG2-CG 3.69Å; T142-F301 HydrophobicContact CG2-CE2 4.17Å
143	D	96.2	Very high	97.2	Very high	78 Å²	78	41.2 Å²	41.2	42%	0.417	22%	0.22	S	C	.	.	H	α-helix	trans	-64.2	-41.6	178.1	62.3	-51.5	0	0	0	111.7	P141 A146 Y147 S313	P141-D143 VanDerWaalsContact C-N 3.35Å; P141-D143 WeakPolarHBondContact CB-OD1 3.31Å; P141-D143 PolarHBondContact O-N 2.91Å; D143-A146 PolarHBondContact O-N 3.4Å; D143-Y147 PolarHBondContact O-N 2.86Å; D143-S313 VanDerWaalsContact OD2-CB 3.26Å; D143-S313 WeakPolarHBondContact OD2-CB 3.49Å; D143-S313 PolarHBondContact OD2-OG 2.92Å
144	V	98.2	Very high	97.3	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-47.3	173.8	170.1	0	0	0	0	111	F140 P141 A146 Y147 I148 F314 F317	F140-V144 HydrophobicContact CD1-CG1 4.11Å; P141-V144 HydrophobicContact CB-CB 4.19Å; P141-V144 HydrophobicContact CB-CG2 4.04Å; P141-V144 HydrophobicContact CG-CB 4.47Å; P141-V144 HydrophobicContact CG-CG2 4.13Å; P141-V144 PolarHBondContact O-N 3.34Å; V144-A146 VanDerWaalsContact C-N 3.34Å; V144-A146 PolarHBondContact O-N 2.79Å; V144-Y147 PolarHBondContact O-N 2.75Å; V144-I148 HydrophobicContact CG1-CD1 3.95Å; V144-I148 WeakPolarHBondContact O-CG1 3.45Å; V144-I148 PolarHBondContact O-N 3.19Å; V144-F314 HydrophobicContact CG1-CB 4.32Å; V144-F314 HydrophobicContact CG1-CD2 3.42Å; V144-F314 VanDerWaalsContact CG1-CD2 3.42Å; V144-F314 HydrophobicContact CG1-CE2 4.12Å; V144-F314 HydrophobicContact CG1-CG 4.22Å; V144-F317 HydrophobicContact CG1-CD1 3.96Å; V144-F317 HydrophobicContact CG1-CE1 4.39Å; V144-F317 HydrophobicContact CG1-CG 4.29Å; V144-F317 HydrophobicContact CG2-CB 3.94Å; V144-F317 HydrophobicContact CG2-CG 4.22Å
145	L	98.2	Very high	97.2	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-43.2	177.9	-175.7	61.4	0	0	0	111	F140 P141 T142 Y147 I148 V149 V234 L237 A238 L275 F301	F140-L145 HydrophobicContact CB-CB 4.37Å; P141-L145 PolarHBondContact O-N 3.37Å; T142-L145 PolarHBondContact O-N 3.04Å; L145-Y147 PolarHBondContact O-N 3.33Å; L145-I148 PolarHBondContact O-N 3.28Å; L145-V149 HydrophobicContact CD1-CG2 4.36Å; L145-V149 VanDerWaalsContact O-CG2 3.26Å; L145-V149 WeakPolarHBondContact O-CG2 3.39Å; L145-V149 PolarHBondContact O-N 3.34Å; L145-V234 HydrophobicContact CD1-CG1 4.46Å; L145-V234 HydrophobicContact CD2-CG1 4.4Å; L145-L237 HydrophobicContact CD1-CB 3.66Å; L145-L237 HydrophobicContact CD1-CD1 4.14Å; L145-A238 HydrophobicContact CD2-CB 3.93Å; L145-L275 HydrophobicContact CD2-CD1 4.01Å; L145-L275 HydrophobicContact CD2-CD2 3.89Å; L145-F301 HydrophobicContact CG-CZ 4.42Å
146	A	98.6	Very high	97.2	Very high	5 Å²	5	34.6 Å²	34.6	4%	0.041	19%	0.187	C	C	.	.	H	α-helix	trans	-62.2	-41.1	178.3	0	0	0	0	0	112	T142 D143 V144 V149 L150 F301 V305	T142-A146 WeakPolarHBondContact O-CB 3.29Å; T142-A146 PolarHBondContact O-N 2.8Å; D143-A146 PolarHBondContact O-N 3.4Å; V144-A146 VanDerWaalsContact C-N 3.34Å; V144-A146 PolarHBondContact O-N 2.79Å; A146-V149 PolarHBondContact O-N 3.13Å; A146-L150 VanDerWaalsContact O-CB 3.31Å; A146-L150 WeakPolarHBondContact O-CB 3.31Å; A146-L150 PolarHBondContact O-N 3.41Å; A146-F301 HydrophobicContact CB-CE1 4.12Å; A146-F301 HydrophobicContact CB-CE2 3.89Å; A146-F301 HydrophobicContact CB-CZ 3.61Å; A146-V305 HydrophobicContact CB-CG2 3.64Å
147	Y	98.8	Very high	97.3	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.8	-43.2	174.5	171.4	-101.3	0	0	0	113.3	R100 D143 V144 L145 V149 L150 S151 G180 V182 A307 G310 Q311 F314	R100-Y147 PolarHBondContact NH2-OH 3.23Å; D143-Y147 PolarHBondContact O-N 2.86Å; V144-Y147 PolarHBondContact O-N 2.75Å; L145-Y147 PolarHBondContact O-N 3.33Å; Y147-V149 VanDerWaalsContact C-N 3.33Å; Y147-V149 PolarHBondContact O-N 3.43Å; Y147-L150 PolarHBondContact O-N 3.26Å; Y147-S151 PolarHBondContact O-N 3.41Å; Y147-S151 PolarHBondContact O-OG 3.21Å; Y147-G180 VanDerWaalsContact CE1-O 3.25Å; Y147-G180 WeakPolarHBondContact CE1-O 3.43Å; Y147-G180 PolarHBondContact OH-O 2.96Å; Y147-G180 VanDerWaalsContact OH-O 3.12Å; Y147-V182 HydrophobicContact CD1-CG2 4.35Å; Y147-V182 HydrophobicContact CE1-CB 4.47Å; Y147-V182 HydrophobicContact CE1-CG2 3.85Å; Y147-A307 VanDerWaalsContact CE2-O 3.24Å; Y147-A307 WeakPolarHBondContact CE2-O 3.32Å; Y147-G310 VanDerWaalsContact CD2-C 3.41Å; Y147-Q311 HydrophobicContact CE1-CB 4.3Å; Y147-Q311 HydrophobicContact CE2-CB 3.71Å; Y147-Q311 VanDerWaalsContact CZ-CA 3.45Å; Y147-Q311 WeakPolarHBondContact OH-CB 3.44Å; Y147-Q311 WeakPolarHBondContact OH-CG 3.4Å; Y147-F314 HydrophobicContact CD1-CB 3.73Å; Y147-F314 HydrophobicContact CD1-CD1 4.11Å; Y147-F314 HydrophobicContact CD1-CG 4.18Å; Y147-F314 HydrophobicContact CE1-CB 4.08Å; Y147-F314 AromaticContact CE1-CD1 3.91Å; Y147-F314 HydrophobicContact CE1-CD1 3.91Å; Y147-F314 HydrophobicContact CE1-CG 4.38Å
148	I	98.9	Very high	97.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-57.5	-50.6	175.3	-73.1	166.1	0	0	0	109.5	L126 F140 V144 L145 S151 V152 V182 L237 F314	L126-I148 HydrophobicContact CD1-CG2 3.38Å; L126-I148 HydrophobicContact CD2-CD1 4.34Å; F140-I148 HydrophobicContact CD1-CD1 3.97Å; F140-I148 HydrophobicContact CE1-CD1 3.98Å; V144-I148 HydrophobicContact CG1-CD1 3.95Å; V144-I148 WeakPolarHBondContact O-CG1 3.45Å; V144-I148 PolarHBondContact O-N 3.19Å; L145-I148 PolarHBondContact O-N 3.28Å; I148-S151 PolarHBondContact O-N 3.46Å; I148-V152 WeakPolarHBondContact O-CG2 3.42Å; I148-V152 PolarHBondContact O-N 2.89Å; I148-V182 HydrophobicContact CG1-CG2 4Å; I148-V182 HydrophobicContact CG2-CG1 4.48Å; I148-L237 HydrophobicContact CG2-CD1 4.18Å; I148-F314 HydrophobicContact CD1-CD2 4.2Å; I148-F314 HydrophobicContact CD1-CE2 3.82Å; I148-F314 HydrophobicContact CD1-CZ 4.16Å; I148-F314 HydrophobicContact CG1-CD2 4.42Å; I148-F314 HydrophobicContact CG1-CE1 4.47Å; I148-F314 HydrophobicContact CG1-CE2 4.26Å; I148-F314 HydrophobicContact CG1-CZ 4.28Å
149	V	98.8	Very high	97.1	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-65.1	-43.1	-178	177.7	0	0	0	0	111.2	L145 A146 Y147 S151 V152 V153 V234 F278 F301 L302	L145-V149 HydrophobicContact CD1-CG2 4.36Å; L145-V149 VanDerWaalsContact O-CG2 3.26Å; L145-V149 WeakPolarHBondContact O-CG2 3.39Å; L145-V149 PolarHBondContact O-N 3.34Å; A146-V149 PolarHBondContact O-N 3.13Å; Y147-V149 VanDerWaalsContact C-N 3.33Å; Y147-V149 PolarHBondContact O-N 3.43Å; V149-S151 VanDerWaalsContact C-N 3.32Å; V149-S151 PolarHBondContact O-N 2.89Å; V149-V152 PolarHBondContact O-N 2.9Å; V149-V153 HydrophobicContact CG1-CG2 4.17Å; V149-V153 VanDerWaalsContact O-CG2 3.32Å; V149-V153 WeakPolarHBondContact O-CG2 3.45Å; V149-V153 PolarHBondContact O-N 3.45Å; V149-V234 HydrophobicContact CB-CG2 4.49Å; V149-V234 HydrophobicContact CG1-CG2 4.16Å; V149-V234 HydrophobicContact CG2-CB 4.3Å; V149-V234 HydrophobicContact CG2-CG1 3.85Å; V149-V234 HydrophobicContact CG2-CG2 3.45Å; V149-V234 VanDerWaalsContact CG2-CG2 3.45Å; V149-F278 HydrophobicContact CG1-CE1 3.64Å; V149-F278 HydrophobicContact CG1-CE2 4.26Å; V149-F278 HydrophobicContact CG1-CZ 3.41Å; V149-F278 VanDerWaalsContact CG1-CZ 3.41Å; V149-F301 HydrophobicContact CB-CE1 4.29Å; V149-F301 HydrophobicContact CG1-CE1 4.49Å; V149-F301 HydrophobicContact CG2-CE1 4.31Å; V149-L302 HydrophobicContact CB-CD2 4.07Å; V149-L302 HydrophobicContact CG1-CD1 4.04Å; V149-L302 HydrophobicContact CG1-CD2 3.92Å
150	L	98.8	Very high	96.9	Very high	14 Å²	14	20.1 Å²	20.1	7%	0.073	11%	0.105	C	C	.	.	H	α-helix	trans	-52.2	-52.4	173.3	175.4	67.6	0	0	0	110.7	A146 Y147 V152 V153 E154 L297 L302 V305 A307	A146-L150 VanDerWaalsContact O-CB 3.31Å; A146-L150 WeakPolarHBondContact O-CB 3.31Å; A146-L150 PolarHBondContact O-N 3.41Å; Y147-L150 PolarHBondContact O-N 3.26Å; L150-V152 VanDerWaalsContact C-N 3.31Å; L150-V152 PolarHBondContact O-N 2.84Å; L150-V153 PolarHBondContact O-N 3.4Å; L150-E154 HydrophobicContact CD1-CG 4.29Å; L150-E154 HydrophobicContact CG-CG 4.46Å; L150-E154 WeakPolarHBondContact O-CG 3.32Å; L150-E154 PolarHBondContact O-N 3.5Å; L150-L297 HydrophobicContact CD1-CD2 3.72Å; L150-L302 HydrophobicContact CB-CD2 4.37Å; L150-V305 HydrophobicContact CB-CG1 4.49Å; L150-V305 HydrophobicContact CD2-CB 4.03Å; L150-V305 HydrophobicContact CD2-CG1 3.66Å; L150-A307 HydrophobicContact CD2-CB 4.23Å
151	S	98.8	Very high	96.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61	-40.6	-177.9	-57.2	0	0	0	0	112	S101 Y147 I148 V149 A155	S101-S151 WeakPolarHBondContact CB-O 3.39Å; S101-S151 PolarHBondContact OG-O 2.9Å; Y147-S151 PolarHBondContact O-N 3.41Å; Y147-S151 PolarHBondContact O-OG 3.21Å; I148-S151 PolarHBondContact O-N 3.46Å; V149-S151 VanDerWaalsContact C-N 3.32Å; V149-S151 PolarHBondContact O-N 2.89Å; S151-A155 PolarHBondContact O-N 3.38Å; S151-A155 VanDerWaalsContact O-N 3.08Å
152	V	98.7	Very high	96.2	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.012	13%	0.133	C	C	.	.	H	α-helix	trans	-66.9	-44.3	176.8	175.2	0	0	0	0	111.4	I148 V149 L150 A155 L156 M174 V182 V184 L230	I148-V152 WeakPolarHBondContact O-CG2 3.42Å; I148-V152 PolarHBondContact O-N 2.89Å; V149-V152 PolarHBondContact O-N 2.9Å; L150-V152 VanDerWaalsContact C-N 3.31Å; L150-V152 PolarHBondContact O-N 2.84Å; V152-A155 WeakPolarHBondContact O-CB 3.31Å; V152-A155 PolarHBondContact O-N 2.86Å; V152-L156 HydrophobicContact CG1-CD1 4.09Å; V152-L156 HydrophobicContact CG1-CG 4.41Å; V152-L156 WeakPolarHBondContact O-CG 3.35Å; V152-L156 PolarHBondContact O-N 3.46Å; V152-M174 HydrophobicContact CG1-CE 3.96Å; V152-M174 HydrophobicContact CG1-SD 4.49Å; V152-M174 HydrophobicContact CG2-CE 4.34Å; V152-M174 HydrophobicContact CG2-CG 3.9Å; V152-M174 HydrophobicContact CG2-SD 3.8Å; V152-V182 HydrophobicContact CG2-CG1 4.24Å; V152-V184 HydrophobicContact CB-CG2 4.27Å; V152-V184 HydrophobicContact CG1-CG2 4.04Å; V152-V184 HydrophobicContact CG2-CG2 4.08Å; V152-L230 HydrophobicContact CB-CD1 4.44Å; V152-L230 HydrophobicContact CG1-CD1 3.77Å
153	V	98.6	Very high	95.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.7	-40.3	179	179.5	0	0	0	0	111.1	V149 L150 A155 L156 E157 L230 F278 Y293 L296 L297 L302	V149-V153 HydrophobicContact CG1-CG2 4.17Å; V149-V153 VanDerWaalsContact O-CG2 3.32Å; V149-V153 WeakPolarHBondContact O-CG2 3.45Å; V149-V153 PolarHBondContact O-N 3.45Å; L150-V153 PolarHBondContact O-N 3.4Å; V153-A155 VanDerWaalsContact C-N 3.29Å; V153-A155 PolarHBondContact O-N 3.23Å; V153-L156 PolarHBondContact O-N 3.39Å; V153-E157 WeakPolarHBondContact O-CB 3.37Å; V153-E157 PolarHBondContact O-N 3.03Å; V153-L230 HydrophobicContact CG2-CD2 3.58Å; V153-F278 HydrophobicContact CG2-CZ 4.42Å; V153-Y293 HydrophobicContact CG1-CD1 4.48Å; V153-L296 HydrophobicContact CG1-CB 3.95Å; V153-L296 HydrophobicContact CG2-CB 4.44Å; V153-L296 HydrophobicContact CG2-CD1 4.44Å; V153-L297 HydrophobicContact CB-CD2 3.98Å; V153-L297 HydrophobicContact CG1-CD1 4.38Å; V153-L297 HydrophobicContact CG1-CD2 3.64Å; V153-L297 HydrophobicContact CG1-CG 3.63Å; V153-L302 HydrophobicContact CB-CD1 4.45Å; V153-L302 HydrophobicContact CG2-CD1 4.07Å
154	E	98.1	Very high	95.2	Very high	48 Å²	48	29.3 Å²	29.3	22%	0.224	14%	0.14	C	C	.	.	H	α-helix	trans	-58.7	-41.6	172.7	-71.2	179.6	153.5	0	0	111.6	R100 S101 L150 Y158 L297	R100-E154 IonicContact CZ-OE2 2.64Å; R100-E154 IonicContact NH1-OE2 3.53Å; R100-E154 PolarHBondContact NH1-OE2 2.97Å; S101-E154 PolarHBondContact OG-OE2 3.47Å; L150-E154 HydrophobicContact CD1-CG 4.29Å; L150-E154 HydrophobicContact CG-CG 4.46Å; L150-E154 WeakPolarHBondContact O-CG 3.32Å; L150-E154 PolarHBondContact O-N 3.5Å; E154-Y158 WeakPolarHBondContact O-CB 3.19Å; E154-Y158 PolarHBondContact O-N 3.42Å; E154-L297 HydrophobicContact CG-CD2 4.19Å
155	A	96.7	Very high	94.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-43.9	176.9	0	0	0	0	0	112.1	S101 V102 S151 V152 V153 Y158 L159 V184	S101-A155 WeakPolarHBondContact O-CB 3.26Å; V102-A155 HydrophobicContact CG2-CB 3.89Å; S151-A155 PolarHBondContact O-N 3.38Å; S151-A155 VanDerWaalsContact O-N 3.08Å; V152-A155 WeakPolarHBondContact O-CB 3.31Å; V152-A155 PolarHBondContact O-N 2.86Å; V153-A155 VanDerWaalsContact C-N 3.29Å; V153-A155 PolarHBondContact O-N 3.23Å; A155-Y158 PolarHBondContact O-N 3.3Å; A155-L159 VanDerWaalsContact O-CG 3.31Å; A155-L159 WeakPolarHBondContact O-CG 3.34Å; A155-L159 PolarHBondContact O-N 2.99Å; A155-V184 HydrophobicContact CB-CB 3.93Å; A155-V184 HydrophobicContact CB-CG2 3.64Å
156	L	96	Very high	94.1	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-67.9	-39.3	179.6	-67	175.1	0	0	0	112.2	V152 V153 L159 H160 H166 V169 Y293	V152-L156 HydrophobicContact CG1-CD1 4.09Å; V152-L156 HydrophobicContact CG1-CG 4.41Å; V152-L156 WeakPolarHBondContact O-CG 3.35Å; V152-L156 PolarHBondContact O-N 3.46Å; V153-L156 PolarHBondContact O-N 3.39Å; L156-L159 PolarHBondContact O-N 3.35Å; L156-H160 WeakPolarHBondContact O-CB 3.26Å; L156-H160 PolarHBondContact O-N 2.91Å; L156-H166 HydrophobicContact CD2-CB 3.49Å; L156-H166 VanDerWaalsContact CD2-CB 3.49Å; L156-V169 HydrophobicContact CD1-CG2 4.21Å; L156-V169 HydrophobicContact CD2-CG2 3.76Å; L156-Y293 HydrophobicContact CB-CD1 3.97Å; L156-Y293 HydrophobicContact CB-CD2 4.37Å; L156-Y293 HydrophobicContact CB-CE1 3.62Å; L156-Y293 HydrophobicContact CB-CE2 4.03Å; L156-Y293 HydrophobicContact CB-CG 4.33Å; L156-Y293 HydrophobicContact CD1-CD1 4.45Å; L156-Y293 HydrophobicContact CD1-CE1 3.78Å; L156-Y293 HydrophobicContact CG-CE1 4.29Å
157	E	96.1	Very high	93.6	Very high	27 Å²	27	32.7 Å²	32.7	13%	0.126	15%	0.153	C	C	.	.	H	α-helix	trans	-65.2	-43.2	174	177.1	51.7	-158.9	0	0	111.5	V153 L159 H160 Q161 Y293	V153-E157 WeakPolarHBondContact O-CB 3.37Å; V153-E157 PolarHBondContact O-N 3.03Å; E157-L159 VanDerWaalsContact C-N 3.35Å; E157-L159 PolarHBondContact O-N 3.34Å; E157-H160 WeakPolarHBondContact O-CB 3.33Å; E157-H160 PolarHBondContact O-N 3.29Å; E157-H160 VanDerWaalsContact O-N 3.13Å; E157-H160 IonicContact OE2-CD2 3.9Å; E157-Q161 WeakPolarHBondContact O-CG 3.34Å; E157-Q161 PolarHBondContact O-N 3.24Å; E157-Q161 PolarHBondContact OE1-NE2 3.13Å; E157-Y293 HydrophobicContact CB-CD2 4.4Å; E157-Y293 HydrophobicContact CB-CG 4.39Å; E157-Y293 WeakPolarHBondContact OE2-CB 3.07Å
158	Y	95	Very high	93	Very high	42 Å²	42	33.6 Å²	33.6	17%	0.165	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-45.3	174.3	174.7	-96.7	0	0	0	112	C97 N98 H99 V102 E154 A155 H160 Q161 L162	C97-Y158 HydrophobicContact CB-CE1 4.08Å; N98-Y158 PolarHBondContact N-OH 2.9Å; N98-Y158 VanDerWaalsContact N-OH 3.11Å; H99-Y158 HydrophobicContact CB-CD1 3.7Å; H99-Y158 HydrophobicContact CB-CD2 3.95Å; H99-Y158 HydrophobicContact CB-CE1 3.84Å; H99-Y158 HydrophobicContact CB-CE2 4.07Å; H99-Y158 HydrophobicContact CB-CG 3.75Å; H99-Y158 AromaticContact CD2-CD2 3.8Å; H99-Y158 AromaticContact CD2-CG 3.94Å; H99-Y158 AromaticContact CG-CD2 3.99Å; H99-Y158 AromaticContact CG-CG 3.76Å; V102-Y158 HydrophobicContact CG2-CD1 3.97Å; E154-Y158 WeakPolarHBondContact O-CB 3.19Å; E154-Y158 PolarHBondContact O-N 3.42Å; A155-Y158 PolarHBondContact O-N 3.3Å; Y158-H160 VanDerWaalsContact C-N 3.31Å; Y158-H160 PolarHBondContact O-N 2.92Å; Y158-Q161 PolarHBondContact O-N 3.31Å; Y158-L162 HydrophobicContact CD1-CD1 4.24Å; Y158-L162 HydrophobicContact CE1-CD1 3.52Å; Y158-L162 HydrophobicContact CE1-CG 4.45Å; Y158-L162 PolarHBondContact O-N 3.23Å
159	L	91.3	Very high	92.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-62.4	-39.5	175	-70.8	172.1	0	0	0	111.6	A155 L156 E157 Q161 L162 E163 V164 H166 F187	A155-L159 VanDerWaalsContact O-CG 3.31Å; A155-L159 WeakPolarHBondContact O-CG 3.34Å; A155-L159 PolarHBondContact O-N 2.99Å; L156-L159 PolarHBondContact O-N 3.35Å; E157-L159 VanDerWaalsContact C-N 3.35Å; E157-L159 PolarHBondContact O-N 3.34Å; L159-Q161 VanDerWaalsContact C-N 3.35Å; L159-Q161 PolarHBondContact O-N 3.01Å; L159-L162 CarbonylContact O-C 3.59Å; L159-L162 WeakPolarHBondContact O-CA 3.39Å; L159-L162 WeakPolarHBondContact O-CB 3.48Å; L159-L162 PolarHBondContact O-N 2.91Å; L159-E163 PolarHBondContact O-N 2.82Å; L159-V164 CarbonylContact C-O 3.59Å; L159-V164 VanDerWaalsContact C-O 3.23Å; L159-V164 HydrophobicContact CB-CB 4.23Å; L159-V164 HydrophobicContact CB-CG1 4.48Å; L159-V164 HydrophobicContact CD2-CB 4.36Å; L159-V164 HydrophobicContact CD2-CG1 4.21Å; L159-V164 WeakPolarHBondContact O-CA 3.42Å; L159-V164 WeakPolarHBondContact O-CB 3.33Å; L159-V164 PolarHBondContact O-N 2.83Å; L159-V164 VanDerWaalsContact O-O 3.13Å; L159-H166 HydrophobicContact CD1-CB 4.47Å; L159-F187 HydrophobicContact CD1-CB 3.79Å; L159-F187 HydrophobicContact CD1-CG 4.33Å; L159-F187 HydrophobicContact CD2-CB 4.31Å; L159-F187 HydrophobicContact CD2-CD1 4.3Å; L159-F187 HydrophobicContact CD2-CD2 4.49Å; L159-F187 HydrophobicContact CD2-CG 4.09Å
160	H	90.7	Very high	92.4	Very high	73 Å²	73	34.7 Å²	34.7	34%	0.338	16%	0.163	S	C	.	.	H	α-helix	trans	-62	-41.4	177.4	-179.9	40.4	0	0	0	112.6	L156 E157 Y158 L162 E163 V164 I223 Y293	L156-H160 WeakPolarHBondContact O-CB 3.26Å; L156-H160 PolarHBondContact O-N 2.91Å; E157-H160 WeakPolarHBondContact O-CB 3.33Å; E157-H160 PolarHBondContact O-N 3.29Å; E157-H160 VanDerWaalsContact O-N 3.13Å; E157-H160 IonicContact OE2-CD2 3.9Å; Y158-H160 VanDerWaalsContact C-N 3.31Å; Y158-H160 PolarHBondContact O-N 2.92Å; H160-L162 PolarHBondContact O-N 2.83Å; H160-E163 WeakPolarHBondContact O-CA 3.27Å; H160-E163 PolarHBondContact O-N 3.38Å; H160-V164 PolarHBondContact N-O 2.93Å; H160-I223 WeakPolarHBondContact ND1-CG2 3.47Å; H160-Y293 HydrophobicContact CB-CD2 4.01Å; H160-Y293 HydrophobicContact CB-CE2 3.92Å
161	Q	91.5	Very high	92.3	Very high	129 Å²	129	34 Å²	34	60%	0.603	16%	0.16	S	C	*	.	H	α-helix	trans	-62.4	-23.4	174.7	-69.2	171.5	5	0	0	112.7	E157 Y158 L159 E163	E157-Q161 WeakPolarHBondContact O-CG 3.34Å; E157-Q161 PolarHBondContact O-N 3.24Å; E157-Q161 PolarHBondContact OE1-NE2 3.13Å; Y158-Q161 PolarHBondContact O-N 3.31Å; L159-Q161 VanDerWaalsContact C-N 3.35Å; L159-Q161 PolarHBondContact O-N 3.01Å; Q161-E163 VanDerWaalsContact C-N 3.32Å
162	L	87.3	Confident	91.9	Very high	70 Å²	70	36.1 Å²	36.1	37%	0.366	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	10.2	171.7	-60.4	-179.5	0	0	0	113.4	Y158 L159 H160 V164	Y158-L162 HydrophobicContact CD1-CD1 4.24Å; Y158-L162 HydrophobicContact CE1-CD1 3.52Å; Y158-L162 HydrophobicContact CE1-CG 4.45Å; Y158-L162 PolarHBondContact O-N 3.23Å; L159-L162 CarbonylContact O-C 3.59Å; L159-L162 WeakPolarHBondContact O-CA 3.39Å; L159-L162 WeakPolarHBondContact O-CB 3.48Å; L159-L162 PolarHBondContact O-N 2.91Å; H160-L162 PolarHBondContact O-N 2.83Å; L162-V164 HydrophobicContact CB-CG2 4.28Å; L162-V164 PolarHBondContact O-N 3.32Å
163	E	85.9	Confident	91.7	Very high	177 Å²	177	36.5 Å²	36.5	83%	0.827	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	29.5	-175.7	-53	-177.2	140.2	0	0	113.4	L159 H160 Q161	L159-E163 PolarHBondContact O-N 2.82Å; H160-E163 WeakPolarHBondContact O-CA 3.27Å; H160-E163 PolarHBondContact O-N 3.38Å; Q161-E163 VanDerWaalsContact C-N 3.32Å
164	V	84.8	Confident	91.6	Very high	16 Å²	16	36.7 Å²	36.7	10%	0.097	18%	0.177	C	C	.	.			trans	-108.3	127	177.9	-179.5	0	0	0	0	109.9	V93 L159 H160 L162 F187	V93-V164 HydrophobicContact CG1-CG2 3.87Å; V93-V164 HydrophobicContact CG2-CG2 4.33Å; L159-V164 CarbonylContact C-O 3.59Å; L159-V164 VanDerWaalsContact C-O 3.23Å; L159-V164 HydrophobicContact CB-CB 4.23Å; L159-V164 HydrophobicContact CB-CG1 4.48Å; L159-V164 HydrophobicContact CD2-CB 4.36Å; L159-V164 HydrophobicContact CD2-CG1 4.21Å; L159-V164 WeakPolarHBondContact O-CA 3.42Å; L159-V164 WeakPolarHBondContact O-CB 3.33Å; L159-V164 PolarHBondContact O-N 2.83Å; L159-V164 VanDerWaalsContact O-O 3.13Å; H160-V164 PolarHBondContact N-O 2.93Å; L162-V164 HydrophobicContact CB-CG2 4.28Å; L162-V164 PolarHBondContact O-N 3.32Å; V164-F187 HydrophobicContact CG1-CB 4.46Å; V164-F187 HydrophobicContact CG1-CD2 4.47Å
165	I	84.5	Confident	91.5	Very high	33 Å²	33	36 Å²	36	17%	0.169	18%	0.175	C	C	.	.			trans	-97	137.4	169.8	-54.4	176.7	0	0	0	107.2	R167 G188 I223 D226	I165-R167 HydrophobicContact CB-CG 4.05Å; I165-R167 HydrophobicContact CG2-CG 3.73Å; I165-G188 WeakPolarHBondContact O-CA 3.16Å; I165-G188 PolarHBondContact O-N 3.49Å; I165-I223 HydrophobicContact CG1-CG2 4.5Å; I165-D226 WeakPolarHBondContact CG2-OD2 3.42Å
166	H	88.6	Confident	91.6	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.175	C	C	.	.			trans	-73.1	-42.5	-176.4	-171.9	-73.2	0	0	0	112.5	L156 L159 D168 V169 V184 C185 G188 D226	L156-H166 HydrophobicContact CD2-CB 3.49Å; L156-H166 VanDerWaalsContact CD2-CB 3.49Å; L159-H166 HydrophobicContact CD1-CB 4.47Å; H166-D168 PolarHBondContact CE1-O 3.07Å; H166-D168 PolarHBondContact ND1-N 2.96Å; H166-D168 PolarHBondContact ND1-O 3.33Å; H166-D168 PolarHBondContact O-N 3.21Å; H166-V169 HydrophobicContact CB-CG2 3.75Å; H166-V169 PolarHBondContact ND1-N 3.42Å; H166-V184 WeakPolarHBondContact CD2-CG1 3.09Å; H166-V184 WeakPolarHBondContact NE2-CG1 3.47Å; H166-C185 PolarHBondContact CE1-O 2.77Å; H166-C185 PolarHBondContact NE2-O 3.29Å; H166-G188 WeakPolarHBondContact O-CA 3.36Å; H166-G188 PolarHBondContact O-N 3.31Å; H166-D226 WeakPolarHBondContact CA-OD2 3.35Å; H166-D226 VanDerWaalsContact CB-OD2 3.32Å; H166-D226 WeakPolarHBondContact CB-OD2 3.22Å; H166-D226 PolarHBondContact N-OD2 2.85Å
167	R	86.8	Confident	91.6	Very high	50 Å²	50	36 Å²	36	19%	0.189	18%	0.175	C	C	.	.			trans	69	-19.2	173	-54.9	-174.2	179.1	-172.7	4.8	117.4	I165 A191 D192 R212 F221 D226	I165-R167 HydrophobicContact CB-CG 4.05Å; I165-R167 HydrophobicContact CG2-CG 3.73Å; R167-A191 HydrophobicContact CB-CB 3.63Å; R167-D192 IonicContact CZ-OD1 3.95Å; R167-D192 IonicContact CZ-OD2 2.79Å; R167-D192 IonicContact NH1-OD1 2.85Å; R167-D192 PolarHBondContact NH1-OD1 3.28Å; R167-D192 IonicContact NH1-OD2 3.93Å; R167-D192 PolarHBondContact NH1-OD2 3.38Å; R167-R212 PolarHBondContact O-NH1 3.46Å; R167-F221 HydrophobicContact CB-CD1 4Å; R167-F221 HydrophobicContact CB-CE1 3.78Å; R167-F221 HydrophobicContact CG-CD1 3.55Å; R167-F221 HydrophobicContact CG-CE1 3.79Å; R167-F221 HydrophobicContact CG-CG 4.49Å; R167-D226 VanDerWaalsContact CA-OD1 3.23Å; R167-D226 WeakPolarHBondContact CA-OD1 3.45Å; R167-D226 PolarHBondContact N-OD1 3.13Å; R167-D226 PolarHBondContact N-OD2 2.84Å
168	D	86.2	Confident	91.5	Very high	18 Å²	18	35.6 Å²	35.6	10%	0.096	17%	0.174	C	C	.	.			trans	-133.2	49.9	178.2	-169.6	37.2	0	0	0	112.3	H166 K170 N173 A191	H166-D168 PolarHBondContact CE1-O 3.07Å; H166-D168 PolarHBondContact ND1-N 2.96Å; H166-D168 PolarHBondContact ND1-O 3.33Å; H166-D168 PolarHBondContact O-N 3.21Å; D168-K170 PolarHBondContact O-N 2.98Å; D168-K170 WeakPolarHBondContact OD1-CD 3.45Å; D168-K170 WeakPolarHBondContact OD1-CE 3.33Å; D168-K170 IonicContact OD1-NZ 2.66Å; D168-K170 PolarHBondContact OD1-NZ 3.24Å; D168-K170 WeakPolarHBondContact OD2-CE 3.45Å; D168-K170 IonicContact OD2-NZ 3.46Å; D168-K170 PolarHBondContact OD2-NZ 3.24Å; D168-N173 PolarHBondContact O-ND2 3.4Å; D168-N173 PolarHBondContact OD2-ND2 3Å; D168-A191 HydrophobicContact CB-CB 3.71Å
169	V	92.9	Very high	91.6	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.024	19%	0.188	C	C	.	.			trans	-71.7	115.5	177.5	-179	0	0	0	0	109.3	L156 H166 M174 D226 S229 L230	L156-V169 HydrophobicContact CD1-CG2 4.21Å; L156-V169 HydrophobicContact CD2-CG2 3.76Å; H166-V169 HydrophobicContact CB-CG2 3.75Å; H166-V169 PolarHBondContact ND1-N 3.42Å; V169-M174 HydrophobicContact CG1-CE 3.54Å; V169-D226 HydrophobicContact CG2-CB 3.92Å; V169-S229 WeakPolarHBondContact O-CB 3.47Å; V169-L230 HydrophobicContact CG1-CB 4.24Å
170	K	93.3	Very high	91.9	Very high	22 Å²	22	38.2 Å²	38.2	10%	0.096	19%	0.188	C	C	.	.	S	Bend	trans	-161.1	159.9	177.8	60.4	-171.5	179.8	-146.6	0	110.8	D168 S172 N173 E194 Y207 S233	D168-K170 PolarHBondContact O-N 2.98Å; D168-K170 WeakPolarHBondContact OD1-CD 3.45Å; D168-K170 WeakPolarHBondContact OD1-CE 3.33Å; D168-K170 IonicContact OD1-NZ 2.66Å; D168-K170 PolarHBondContact OD1-NZ 3.24Å; D168-K170 WeakPolarHBondContact OD2-CE 3.45Å; D168-K170 IonicContact OD2-NZ 3.46Å; D168-K170 PolarHBondContact OD2-NZ 3.24Å; K170-S172 WeakPolarHBondContact CE-OG 3.43Å; K170-S172 WeakPolarHBondContact CG-OG 3.33Å; K170-S172 PolarHBondContact O-N 3.26Å; K170-N173 HydrophobicContact CG-CB 4.41Å; K170-N173 PolarHBondContact O-N 2.94Å; K170-E194 IonicContact NZ-OE2 2.72Å; K170-Y207 HydrophobicContact CB-CD1 4.19Å; K170-Y207 HydrophobicContact CB-CD2 3.62Å; K170-Y207 HydrophobicContact CB-CE1 4.08Å; K170-Y207 HydrophobicContact CB-CE2 3.51Å; K170-Y207 HydrophobicContact CB-CG 3.97Å; K170-Y207 HydrophobicContact CD-CD2 4.13Å; K170-Y207 HydrophobicContact CD-CE2 4.06Å; K170-Y207 HydrophobicContact CG-CE2 4.4Å; K170-S233 WeakPolarHBondContact CA-OG 3.32Å
171	P	95.7	Very high	92.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-57.5	-25.7	-177.3	-27	36.5	0	0	0	115.1	L126 D127 N173 M174 Y207	L126-P171 HydrophobicContact CB-CB 4.09Å; L126-P171 WeakPolarHBondContact CB-O 3.31Å; L126-P171 PolarHBondContact N-O 3.16Å; L126-P171 VanDerWaalsContact N-O 3.12Å; D127-P171 HydrophobicContact CB-CB 4.03Å; D127-P171 PolarHBondContact N-O 3.38Å; P171-N173 VanDerWaalsContact C-N 3.29Å; P171-N173 PolarHBondContact O-N 2.88Å; P171-M174 PolarHBondContact O-N 3.32Å; P171-Y207 WeakPolarHBondContact CD-OH 3.43Å
172	S	92.1	Very high	92.6	Very high	43 Å²	43	32.9 Å²	32.9	30%	0.301	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-72.2	-21.4	176.7	66.7	0	0	0	0	114	D127 K170	D127-S172 WeakPolarHBondContact OD1-CA 3.38Å; K170-S172 WeakPolarHBondContact CE-OG 3.43Å; K170-S172 WeakPolarHBondContact CG-OG 3.33Å; K170-S172 PolarHBondContact O-N 3.26Å
173	N	92.9	Very high	93.1	Very high	10 Å²	10	30.2 Å²	30.2	5%	0.053	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-100	6.9	178	-64.3	-1.3	0	0	0	111.9	D168 K170 P171 V184 C185	D168-N173 PolarHBondContact O-ND2 3.4Å; D168-N173 PolarHBondContact OD2-ND2 3Å; K170-N173 HydrophobicContact CG-CB 4.41Å; K170-N173 PolarHBondContact O-N 2.94Å; P171-N173 VanDerWaalsContact C-N 3.29Å; P171-N173 PolarHBondContact O-N 2.88Å; N173-V184 WeakPolarHBondContact O-CA 3.41Å; N173-C185 PolarHBondContact O-N 2.93Å
174	M	97	Very high	93.5	Very high	5 Å²	5	22 Å²	22	3%	0.025	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111.6	172	-58.7	170.8	-169.4	0	0	106.7	S125 L126 V152 V169 P171 L230	S125-M174 CarbonylContact C-O 3.23Å; S125-M174 WeakPolarHBondContact CA-O 3.16Å; L126-M174 HydrophobicContact CB-CB 4.17Å; L126-M174 HydrophobicContact CD1-CB 3.47Å; L126-M174 VanDerWaalsContact CD1-CB 3.47Å; L126-M174 HydrophobicContact CD1-CG 4.29Å; L126-M174 HydrophobicContact CD1-SD 3.9Å; L126-M174 HydrophobicContact CG-CB 3.73Å; L126-M174 WeakPolarHBondContact CG-O 3.03Å; L126-M174 PolarHBondContact N-O 3.46Å; V152-M174 HydrophobicContact CG1-CE 3.96Å; V152-M174 HydrophobicContact CG1-SD 4.49Å; V152-M174 HydrophobicContact CG2-CE 4.34Å; V152-M174 HydrophobicContact CG2-CG 3.9Å; V152-M174 HydrophobicContact CG2-SD 3.8Å; V169-M174 HydrophobicContact CG1-CE 3.54Å; P171-M174 PolarHBondContact O-N 3.32Å; M174-L230 HydrophobicContact CE-CD1 4.46Å
175	L	97.2	Very high	93.8	Very high	33 Å²	33	21.8 Å²	21.8	17%	0.173	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	152.1	-174.2	-53.4	-172.2	0	0	0	110.9	V103 M122 T124 V182 K183 C185	V103-L175 HydrophobicContact CG2-CD1 4.12Å; M122-L175 HydrophobicContact CB-CB 3.61Å; M122-L175 HydrophobicContact CB-CD1 3.93Å; M122-L175 HydrophobicContact CB-CG 4.39Å; M122-L175 HydrophobicContact CE-CB 4.31Å; M122-L175 HydrophobicContact CG-CB 3.64Å; M122-L175 HydrophobicContact CG-CD1 3.8Å; M122-L175 HydrophobicContact CG-CG 4.39Å; T124-L175 CarbonylContact O-C 3.39Å; T124-L175 WeakPolarHBondContact O-CA 3.37Å; L175-V182 CarbonylContact O-C 3.58Å; L175-V182 WeakPolarHBondContact O-CA 3.28Å; L175-K183 PolarHBondContact N-O 3.33Å; L175-K183 PolarHBondContact O-N 3.28Å; L175-C185 HydrophobicContact CD1-CB 4.13Å
176	A	97.9	Very high	93.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.2	178.3	0	0	0	0	0	111.3	D123 T124 L126 R181 F314 L318	D123-A176 PolarHBondContact N-O 3.05Å; T124-A176 HydrophobicContact CG2-CB 4.18Å; T124-A176 PolarHBondContact N-O 2.92Å; T124-A176 PolarHBondContact O-N 3.31Å; L126-A176 HydrophobicContact CD2-CB 4.44Å; A176-R181 VanDerWaalsContact CA-O 3.27Å; A176-R181 WeakPolarHBondContact CA-O 3.21Å; A176-F314 HydrophobicContact CB-CE1 3.66Å; A176-F314 HydrophobicContact CB-CZ 3.78Å; A176-L318 HydrophobicContact CB-CD2 4.17Å
177	D	95.8	Very high	93	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.016	11%	0.109	C	C	.	.			trans	-121.8	168.3	174.5	65.7	31.6	0	0	0	113.1	M122 D123 H179 G180 R181 L318	M122-D177 HydrophobicContact CE-CB 3.94Å; M122-D177 HydrophobicContact SD-CB 4.41Å; D123-D177 WeakPolarHBondContact OD2-CA 3.41Å; D123-D177 WeakPolarHBondContact OD2-CB 3.35Å; D177-H179 PolarHBondContact O-N 3.33Å; D177-H179 WeakPolarHBondContact OD1-CA 3.24Å; D177-H179 WeakPolarHBondContact OD1-CB 3.41Å; D177-H179 PolarHBondContact OD1-N 3.45Å; D177-G180 PolarHBondContact O-N 2.97Å; D177-G180 PolarHBondContact OD1-N 3.43Å; D177-R181 PolarHBondContact N-O 3.34Å; D177-R181 WeakPolarHBondContact OD1-CB 3.25Å; D177-R181 PolarHBondContact OD1-N 3.2Å; D177-R181 IonicContact OD1-NE 3.61Å; D177-R181 IonicContact OD2-CZ 3.45Å; D177-R181 IonicContact OD2-NE 3.48Å; D177-R181 PolarHBondContact OD2-NE 3.06Å; D177-R181 IonicContact OD2-NH2 3.63Å; D177-R181 PolarHBondContact OD2-NH2 3.35Å; D177-L318 WeakPolarHBondContact O-CD2 3.38Å
178	C	94.8	Very high	91.9	Very high	17 Å²	17	20.2 Å²	20.2	12%	0.115	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-17.9	-178.6	79.6	0	0	0	0	113.8	D123 G180 R315 L322 C328	D123-C178 PolarHBondContact OD2-N 3.07Å; C178-G180 VanDerWaalsContact C-N 3.32Å; C178-R315 WeakPolarHBondContact O-CG 3.39Å; C178-L322 HydrophobicContact CB-CD1 4Å; C178-C328 HydrophobicContact CB-CB 3.9Å; C178-C328 WeakPolarHBondContact CB-SG 3.42Å; C178-C328 WeakPolarHBondContact SG-CB 3.33Å; C178-C328 CovalentContact SG-SG 2.04Å; C178-C328 PolarHBondContact SG-SG 2.88Å
179	H	95.9	Very high	90.8	Very high	98 Å²	98	19.7 Å²	19.7	45%	0.454	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	6.7	178	-58	-56.7	0	0	0	112.7	D177 R181 Q311	D177-H179 PolarHBondContact O-N 3.33Å; D177-H179 WeakPolarHBondContact OD1-CA 3.24Å; D177-H179 WeakPolarHBondContact OD1-CB 3.41Å; D177-H179 PolarHBondContact OD1-N 3.45Å; H179-R181 VanDerWaalsContact C-N 3.29Å; H179-R181 PolarHBondContact O-N 3.08Å; H179-Q311 PolarHBondContact O-NE2 2.99Å
180	G	97.3	Very high	89.3	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.			trans	74.6	14.1	179.7	0	0	0	0	0	113.5	Y147 D177 C178 F314	Y147-G180 VanDerWaalsContact CE1-O 3.25Å; Y147-G180 WeakPolarHBondContact CE1-O 3.43Å; Y147-G180 PolarHBondContact OH-O 2.96Å; Y147-G180 VanDerWaalsContact OH-O 3.12Å; D177-G180 PolarHBondContact O-N 2.97Å; D177-G180 PolarHBondContact OD1-N 3.43Å; C178-G180 VanDerWaalsContact C-N 3.32Å; G180-F314 WeakPolarHBondContact O-CD1 3.43Å
181	R	98.2	Very high	87.8	Confident	90 Å²	90	18.6 Å²	18.6	34%	0.34	9%	0.094	S	C	.	.			trans	-77.6	134.7	176.5	-60.3	176.2	-67.8	-173.7	5.6	109	A176 D177 H179	A176-R181 VanDerWaalsContact CA-O 3.27Å; A176-R181 WeakPolarHBondContact CA-O 3.21Å; D177-R181 PolarHBondContact N-O 3.34Å; D177-R181 WeakPolarHBondContact OD1-CB 3.25Å; D177-R181 PolarHBondContact OD1-N 3.2Å; D177-R181 IonicContact OD1-NE 3.61Å; D177-R181 IonicContact OD2-CZ 3.45Å; D177-R181 IonicContact OD2-NE 3.48Å; D177-R181 PolarHBondContact OD2-NE 3.06Å; D177-R181 IonicContact OD2-NH2 3.63Å; D177-R181 PolarHBondContact OD2-NH2 3.35Å; H179-R181 VanDerWaalsContact C-N 3.29Å; H179-R181 PolarHBondContact O-N 3.08Å
182	V	98.7	Very high	86.2	Confident	1 Å²	1	20 Å²	20	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.7	173.3	175.6	0	0	0	0	108.6	Y147 I148 V152 L175 F314	Y147-V182 HydrophobicContact CD1-CG2 4.35Å; Y147-V182 HydrophobicContact CE1-CB 4.47Å; Y147-V182 HydrophobicContact CE1-CG2 3.85Å; I148-V182 HydrophobicContact CG1-CG2 4Å; I148-V182 HydrophobicContact CG2-CG1 4.48Å; V152-V182 HydrophobicContact CG2-CG1 4.24Å; L175-V182 CarbonylContact O-C 3.58Å; L175-V182 WeakPolarHBondContact O-CA 3.28Å; V182-F314 HydrophobicContact CG2-CD1 3.65Å; V182-F314 HydrophobicContact CG2-CE1 3.32Å; V182-F314 HydrophobicContact CG2-CZ 4.2Å
183	K	98.1	Very high	84.7	Confident	14 Å²	14	18 Å²	18	6%	0.061	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.6	-177.8	-59.9	-168.9	175.4	-164.9	0	112.1	R100 S101 V103 E120 M122 L175	R100-K183 WeakPolarHBondContact O-CE 3.45Å; S101-K183 CarbonylContact O-C 3.58Å; S101-K183 VanDerWaalsContact O-CA 3.27Å; S101-K183 WeakPolarHBondContact O-CA 3.38Å; V103-K183 HydrophobicContact CG2-CB 3.61Å; V103-K183 HydrophobicContact CG2-CD 4.43Å; E120-K183 VanDerWaalsContact OE1-CD 3.29Å; E120-K183 WeakPolarHBondContact OE1-CD 3.13Å; E120-K183 IonicContact OE1-NZ 2.65Å; E120-K183 PolarHBondContact OE1-NZ 2.97Å; E120-K183 IonicContact OE2-NZ 3.92Å; E120-K183 PolarHBondContact OE2-NZ 3.14Å; M122-K183 HydrophobicContact CE-CB 4.04Å; M122-K183 HydrophobicContact CE-CD 4.12Å; M122-K183 HydrophobicContact CE-CG 3.91Å; M122-K183 HydrophobicContact SD-CD 3.97Å; M122-K183 HydrophobicContact SD-CG 4.39Å; L175-K183 PolarHBondContact N-O 3.33Å; L175-K183 PolarHBondContact O-N 3.28Å
184	V	95.8	Very high	83.2	Confident	4 Å²	4	19.4 Å²	19.4	2%	0.024	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	137.3	175.8	179.3	0	0	0	0	110	S101 V103 V152 A155 H166 N173	S101-V184 PolarHBondContact O-N 3.29Å; V103-V184 PolarHBondContact N-O 2.82Å; V152-V184 HydrophobicContact CB-CG2 4.27Å; V152-V184 HydrophobicContact CG1-CG2 4.04Å; V152-V184 HydrophobicContact CG2-CG2 4.08Å; A155-V184 HydrophobicContact CB-CB 3.93Å; A155-V184 HydrophobicContact CB-CG2 3.64Å; H166-V184 WeakPolarHBondContact CD2-CG1 3.09Å; H166-V184 WeakPolarHBondContact NE2-CG1 3.47Å; N173-V184 WeakPolarHBondContact O-CA 3.41Å
185	C	91	Very high	81.4	Confident	11 Å²	11	21.5 Å²	21.5	7%	0.074	11%	0.105	C	C	.	.			trans	-124.1	173.9	175.2	70.4	0	0	0	0	111.7	V103 H166 N173 L175 F187	V103-C185 HydrophobicContact CB-CB 4.04Å; V103-C185 HydrophobicContact CG2-CB 3.82Å; H166-C185 PolarHBondContact CE1-O 2.77Å; H166-C185 PolarHBondContact NE2-O 3.29Å; N173-C185 PolarHBondContact O-N 2.93Å; L175-C185 HydrophobicContact CD1-CB 4.13Å; C185-F187 PolarHBondContact O-N 3.24Å
186	D	80.4	Confident	79.4	Confident	35 Å²	35	23.3 Å²	23.3	19%	0.187	12%	0.12	C	C	.	.	S	Bend	trans	59.2	45.3	173.6	-66.2	-42.2	0	0	0	115.6	K73 S190	K73-D186 IonicContact NZ-OD1 3.71Å; K73-D186 PolarHBondContact NZ-OD1 3Å; D186-S190 PolarHBondContact OD1-OG 3.4Å
187	F	75.6	Confident	77.2	Confident	13 Å²	13	25.2 Å²	25.2	6%	0.057	13%	0.13	C	C	.	.			trans	-74.1	141.8	178.4	41.9	-93.6	0	0	0	113.8	V93 V102 L159 V164 C185 I189 S190	V93-F187 HydrophobicContact CB-CE2 4.11Å; V93-F187 HydrophobicContact CG1-CD2 3.98Å; V93-F187 HydrophobicContact CG1-CE2 3.61Å; V102-F187 HydrophobicContact CG1-CD1 4.43Å; V102-F187 HydrophobicContact CG1-CE1 4.09Å; L159-F187 HydrophobicContact CD1-CB 3.79Å; L159-F187 HydrophobicContact CD1-CG 4.33Å; L159-F187 HydrophobicContact CD2-CB 4.31Å; L159-F187 HydrophobicContact CD2-CD1 4.3Å; L159-F187 HydrophobicContact CD2-CD2 4.49Å; L159-F187 HydrophobicContact CD2-CG 4.09Å; V164-F187 HydrophobicContact CG1-CB 4.46Å; V164-F187 HydrophobicContact CG1-CD2 4.47Å; C185-F187 PolarHBondContact O-N 3.24Å; F187-I189 PolarHBondContact O-N 3.46Å; F187-S190 PolarHBondContact O-N 3.12Å
188	G	62.5	Low	75	Confident	3 Å²	3	26 Å²	26	3%	0.031	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	-60.3	159.4	0	0	0	0	0	117.1	I165 H166 D192	I165-G188 WeakPolarHBondContact O-CA 3.16Å; I165-G188 PolarHBondContact O-N 3.49Å; H166-G188 WeakPolarHBondContact O-CA 3.36Å; H166-G188 PolarHBondContact O-N 3.31Å; G188-D192 PolarHBondContact O-N 2.96Å; G188-D192 VanDerWaalsContact O-N 3.08Å
189	I	62.8	Low	72.7	Confident	7 Å²	7	31.6 Å²	31.6	4%	0.036	17%	0.165	C	C	.	.	H	α-helix	trans	-89.8	-37.3	-171	-55.7	158	0	0	0	110.2	L86 R89 E90 V93 F187 A191 D192 L193	L86-I189 VanDerWaalsContact C-CG2 3.48Å; L86-I189 HydrophobicContact CB-CG2 3.61Å; L86-I189 HydrophobicContact CD2-CG2 4.11Å; L86-I189 HydrophobicContact CG-CG2 4.43Å; L86-I189 WeakPolarHBondContact O-CG2 3.11Å; R89-I189 VanDerWaalsContact C-CD1 3.4Å; R89-I189 HydrophobicContact CB-CD1 3.78Å; R89-I189 HydrophobicContact CB-CG2 4.5Å; R89-I189 HydrophobicContact CG-CD1 3.47Å; R89-I189 VanDerWaalsContact CG-CD1 3.47Å; R89-I189 HydrophobicContact CG-CG1 4.36Å; R89-I189 WeakPolarHBondContact O-CD1 3.34Å; E90-I189 HydrophobicContact CB-CB 4.06Å; E90-I189 HydrophobicContact CB-CD1 4.43Å; E90-I189 HydrophobicContact CB-CG2 3.97Å; V93-I189 HydrophobicContact CB-CD1 4.43Å; V93-I189 HydrophobicContact CG2-CD1 4.01Å; F187-I189 PolarHBondContact O-N 3.46Å; I189-A191 PolarHBondContact O-N 3.37Å; I189-D192 PolarHBondContact O-N 3.06Å; I189-L193 WeakPolarHBondContact O-CB 3Å; I189-L193 PolarHBondContact O-N 3Å
190	S	61.8	Low	70.4	Confident	3 Å²	3	31.8 Å²	31.8	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-55.8	-40.2	165	-63.8	0	0	0	0	110.9	K73 E90 D186 F187 L193 E194	K73-S190 PolarHBondContact NZ-OG 2.89Å; K73-S190 VanDerWaalsContact NZ-OG 3.09Å; E90-S190 PolarHBondContact OE1-OG 2.9Å; E90-S190 PolarHBondContact OE2-OG 3.25Å; D186-S190 PolarHBondContact OD1-OG 3.4Å; F187-S190 PolarHBondContact O-N 3.12Å; S190-L193 WeakPolarHBondContact O-CB 3.36Å; S190-L193 PolarHBondContact O-N 2.79Å; S190-E194 WeakPolarHBondContact O-CB 3.23Å; S190-E194 VanDerWaalsContact O-CG 3.32Å; S190-E194 WeakPolarHBondContact O-CG 3.13Å; S190-E194 PolarHBondContact O-N 3.48Å
191	A	62.6	Low	67.9	Low	1 Å²	1	36.3 Å²	36.3	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-70.6	-39.6	178.6	0	0	0	0	0	112.8	R167 D168 I189 L193 E194 N195	R167-A191 HydrophobicContact CB-CB 3.63Å; D168-A191 HydrophobicContact CB-CB 3.71Å; I189-A191 PolarHBondContact O-N 3.37Å; A191-L193 VanDerWaalsContact C-N 3.34Å; A191-E194 PolarHBondContact O-N 3.42Å; A191-N195 WeakPolarHBondContact O-CB 3.27Å; A191-N195 VanDerWaalsContact O-CG 3.24Å; A191-N195 PolarHBondContact O-N 2.8Å; A191-N195 PolarHBondContact O-ND2 3.08Å
192	D	62.9	Low	65.4	Low	28 Å²	28	38.1 Å²	38.1	15%	0.15	21%	0.213	C	C	.	.	H	α-helix	trans	-67.1	-39.8	173.9	-77.8	-9.4	0	0	0	111.7	L86 R167 G188 I189 E194 N195 S196	L86-D192 HydrophobicContact CD1-CB 4.39Å; L86-D192 HydrophobicContact CD2-CB 4.44Å; R167-D192 IonicContact CZ-OD1 3.95Å; R167-D192 IonicContact CZ-OD2 2.79Å; R167-D192 IonicContact NH1-OD1 2.85Å; R167-D192 PolarHBondContact NH1-OD1 3.28Å; R167-D192 IonicContact NH1-OD2 3.93Å; R167-D192 PolarHBondContact NH1-OD2 3.38Å; G188-D192 PolarHBondContact O-N 2.96Å; G188-D192 VanDerWaalsContact O-N 3.08Å; I189-D192 PolarHBondContact O-N 3.06Å; D192-E194 VanDerWaalsContact C-N 3.31Å; D192-N195 PolarHBondContact O-N 3.11Å; D192-S196 VanDerWaalsContact O-CB 3.28Å; D192-S196 WeakPolarHBondContact O-CB 3.41Å; D192-S196 PolarHBondContact O-N 2.92Å
193	L	60.2	Low	63.1	Low	2 Å²	2	39.4 Å²	39.4	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-54.3	-53.6	171.5	178.7	56.9	0	0	0	108.4	Y55 S83 L86 I87 I189 S190 A191	Y55-L193 HydrophobicContact CD1-CD1 3.53Å; Y55-L193 HydrophobicContact CD1-CD2 3.75Å; Y55-L193 HydrophobicContact CD1-CG 3.38Å; Y55-L193 HydrophobicContact CD2-CD2 4.48Å; Y55-L193 HydrophobicContact CD2-CG 4.14Å; Y55-L193 HydrophobicContact CE1-CB 4.47Å; Y55-L193 HydrophobicContact CE1-CD1 3.32Å; Y55-L193 HydrophobicContact CE1-CD2 4.26Å; Y55-L193 HydrophobicContact CE1-CG 3.37Å; Y55-L193 WeakPolarHBondContact CE1-O 3.41Å; Y55-L193 HydrophobicContact CE2-CG 4.26Å; Y55-L193 HydrophobicContact CG-CD1 4.41Å; Y55-L193 HydrophobicContact CG-CD2 3.89Å; Y55-L193 HydrophobicContact CG-CG 3.79Å; Y55-L193 VanDerWaalsContact OH-C 3.22Å; Y55-L193 PolarHBondContact OH-O 3.34Å; S83-L193 WeakPolarHBondContact OG-CD1 3.41Å; L86-L193 HydrophobicContact CD1-CB 4.34Å; I87-L193 HydrophobicContact CG1-CD2 4.39Å; I189-L193 WeakPolarHBondContact O-CB 3Å; I189-L193 PolarHBondContact O-N 3Å; S190-L193 WeakPolarHBondContact O-CB 3.36Å; S190-L193 PolarHBondContact O-N 2.79Å; A191-L193 VanDerWaalsContact C-N 3.34Å
194	E	61.2	Low	61.1	Low	40 Å²	40	41.7 Å²	41.7	19%	0.187	24%	0.242	C	C	.	.	H	α-helix	trans	-55.3	-52.3	174	-76.1	-173.5	-172.5	0	0	114.5	Y55 K170 S190 A191 D192 S196 I197 A198	Y55-E194 HydrophobicContact CD2-CG 3.84Å; Y55-E194 HydrophobicContact CE2-CB 3.99Å; Y55-E194 HydrophobicContact CE2-CG 3.47Å; Y55-E194 VanDerWaalsContact CE2-CG 3.47Å; Y55-E194 WeakPolarHBondContact OH-CA 3.5Å; Y55-E194 PolarHBondContact OH-O 2.89Å; K170-E194 IonicContact NZ-OE2 2.72Å; S190-E194 WeakPolarHBondContact O-CB 3.23Å; S190-E194 VanDerWaalsContact O-CG 3.32Å; S190-E194 WeakPolarHBondContact O-CG 3.13Å; S190-E194 PolarHBondContact O-N 3.48Å; A191-E194 PolarHBondContact O-N 3.42Å; D192-E194 VanDerWaalsContact C-N 3.31Å; E194-S196 PolarHBondContact O-N 2.69Å; E194-I197 PolarHBondContact O-N 3.26Å; E194-A198 WeakPolarHBondContact O-CB 3.45Å; E194-A198 PolarHBondContact O-N 2.85Å
195	N	57.8	Low	59.9	Low	49 Å²	49	45 Å²	45	26%	0.262	25%	0.254	S	S	.	.	H	α-helix	trans	-67	-36.8	-175.7	-72.4	-46.5	0	0	0	112.7	A191 D192 I197 A198 L199	A191-N195 WeakPolarHBondContact O-CB 3.27Å; A191-N195 VanDerWaalsContact O-CG 3.24Å; A191-N195 PolarHBondContact O-N 2.8Å; A191-N195 PolarHBondContact O-ND2 3.08Å; D192-N195 PolarHBondContact O-N 3.11Å; N195-I197 PolarHBondContact O-N 2.95Å; N195-I197 VanDerWaalsContact O-N 3.14Å; N195-A198 PolarHBondContact O-N 3.14Å; N195-L199 VanDerWaalsContact O-CG 3.27Å; N195-L199 WeakPolarHBondContact O-CG 3.32Å; N195-L199 PolarHBondContact O-N 3.43Å
196	S	56.2	Low	59.4	Low	70 Å²	70	45.2 Å²	45.2	49%	0.49	26%	0.256	S	S	.	.	H	α-helix	trans	-54.8	-34.2	-179.4	-176.2	0	0	0	0	112.7	D192 E194	D192-S196 VanDerWaalsContact O-CB 3.28Å; D192-S196 WeakPolarHBondContact O-CB 3.41Å; D192-S196 PolarHBondContact O-N 2.92Å; E194-S196 PolarHBondContact O-N 2.69Å
197	I	50.9	Low	59.9	Low	41 Å²	41	45.4 Å²	45.4	21%	0.21	25%	0.254	C	S	.	.	H	α-helix	trans	-103.8	-33.1	176.1	-53.7	176.4	0	0	0	112.4	Y54 Y55 N80 E194 N195 L199 T200	Y54-I197 HydrophobicContact CE1-CB 3.81Å; Y54-I197 HydrophobicContact CE1-CD1 4.09Å; Y54-I197 HydrophobicContact CE1-CG2 3.44Å; Y54-I197 VanDerWaalsContact CE1-CG2 3.44Å; Y54-I197 VanDerWaalsContact OH-CG2 3.22Å; Y54-I197 WeakPolarHBondContact OH-CG2 3.39Å; Y55-I197 HydrophobicContact CE1-CD1 3.91Å; Y55-I197 WeakPolarHBondContact OH-CB 3.46Å; N80-I197 WeakPolarHBondContact ND2-CD1 3.1Å; E194-I197 PolarHBondContact O-N 3.26Å; N195-I197 PolarHBondContact O-N 2.95Å; N195-I197 VanDerWaalsContact O-N 3.14Å; I197-L199 PolarHBondContact O-N 2.93Å; I197-L199 VanDerWaalsContact O-N 3.08Å; I197-T200 PolarHBondContact O-N 3.45Å; I197-T200 PolarHBondContact O-OG1 3.36Å
198	A	51.2	Low	60.5	Low	19 Å²	19	45.7 Å²	45.7	16%	0.157	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-12.5	173.6	0	0	0	0	0	112.9	E194 N195 T200 N201	E194-A198 WeakPolarHBondContact O-CB 3.45Å; E194-A198 PolarHBondContact O-N 2.85Å; N195-A198 PolarHBondContact O-N 3.14Å; A198-T200 PolarHBondContact O-N 3.4Å; A198-T200 VanDerWaalsContact O-N 3.11Å; A198-N201 CarbonylContact O-C 3.57Å; A198-N201 PolarHBondContact O-N 2.79Å
199	L	46	Very low	61.8	Low	134 Å²	134	45.5 Å²	45.5	70%	0.702	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-25.6	161.7	-82	165.9	0	0	0	112.7	N195 I197	N195-L199 VanDerWaalsContact O-CG 3.27Å; N195-L199 WeakPolarHBondContact O-CG 3.32Å; N195-L199 PolarHBondContact O-N 3.43Å; I197-L199 PolarHBondContact O-N 2.93Å; I197-L199 VanDerWaalsContact O-N 3.08Å
200	T	46.4	Very low	63.1	Low	102 Å²	102	45.5 Å²	45.5	63%	0.626	26%	0.255	S	S	*	.	S	Bend	trans	-92.7	-17.8	171.7	60.3	0	0	0	0	114.7	I197 A198	I197-T200 PolarHBondContact O-N 3.45Å; I197-T200 PolarHBondContact O-OG1 3.36Å; A198-T200 PolarHBondContact O-N 3.4Å; A198-T200 VanDerWaalsContact O-N 3.11Å
201	N	45.2	Very low	64.3	Low	96 Å²	96	46.6 Å²	46.6	51%	0.513	26%	0.26	S	S	.	.	S	Bend	trans	-129.9	115.2	-176.8	-85.6	-32.2	0	0	0	114.3	A198 G203	A198-N201 CarbonylContact O-C 3.57Å; A198-N201 PolarHBondContact O-N 2.79Å; N201-G203 PolarHBondContact O-N 3.17Å
202	I	46.7	Very low	65.1	Low	127 Å²	127	48.1 Å²	48.1	65%	0.651	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	100.2	176.8	-63.6	167.4	0	0	0	109.9	V250	I202-V250 HydrophobicContact CB-CG2 4.46Å; I202-V250 HydrophobicContact CG2-CB 3.46Å; I202-V250 VanDerWaalsContact CG2-CB 3.46Å; I202-V250 HydrophobicContact CG2-CG1 3.97Å; I202-V250 HydrophobicContact CG2-CG2 3.12Å
203	G	50.1	Low	65.8	Low	29 Å²	29	48.7 Å²	48.7	30%	0.299	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-173	-40.9	175.2	0	0	0	0	0	117	N201 R205	N201-G203 PolarHBondContact O-N 3.17Å; G203-R205 VanDerWaalsContact C-N 3.34Å; G203-R205 PolarHBondContact O-N 2.69Å
204	T	55	Low	66.3	Low	62 Å²	62	53.8 Å²	53.8	38%	0.38	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	35.2	-171.1	-39.8	0	0	0	0	113.8
205	R	71.4	Confident	66.3	Low	74 Å²	74	54.6 Å²	54.6	28%	0.279	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	3.7	-176	-60.1	-173.5	-173.4	163.2	2.7	114.6	G203 Y207 L208 Q253 L254	G203-R205 VanDerWaalsContact C-N 3.34Å; G203-R205 PolarHBondContact O-N 2.69Å; R205-Y207 PolarHBondContact O-N 3.48Å; R205-Y207 VanDerWaalsContact O-N 3.13Å; R205-L208 HydrophobicContact CB-CB 4.27Å; R205-L208 HydrophobicContact CB-CD2 4.27Å; R205-L208 HydrophobicContact CG-CD2 4.1Å; R205-L208 VanDerWaalsContact O-CB 3.3Å; R205-L208 WeakPolarHBondContact O-CB 3.32Å; R205-L208 PolarHBondContact O-N 2.83Å; R205-Q253 PolarHBondContact O-NE2 3.44Å; R205-L254 HydrophobicContact CB-CD2 4.49Å
206	A	81.2	Confident	66.2	Low	14 Å²	14	64.3 Å²	64.3	12%	0.116	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-35.3	178.8	0	0	0	0	0	114.5	L232 Y244	A206-L232 WeakPolarHBondContact O-CD1 3.43Å; A206-Y244 WeakPolarHBondContact O-CD2 3.37Å
207	Y	89.7	Confident	66	Low	39 Å²	39	67.2 Å²	67.2	15%	0.153	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	6.6	-175.8	-53.1	-87.2	0	0	0	112.8	K170 P171 R205 A209 S229 L232 E236	K170-Y207 HydrophobicContact CB-CD1 4.19Å; K170-Y207 HydrophobicContact CB-CD2 3.62Å; K170-Y207 HydrophobicContact CB-CE1 4.08Å; K170-Y207 HydrophobicContact CB-CE2 3.51Å; K170-Y207 HydrophobicContact CB-CG 3.97Å; K170-Y207 HydrophobicContact CD-CD2 4.13Å; K170-Y207 HydrophobicContact CD-CE2 4.06Å; K170-Y207 HydrophobicContact CG-CE2 4.4Å; P171-Y207 WeakPolarHBondContact CD-OH 3.43Å; R205-Y207 PolarHBondContact O-N 3.48Å; R205-Y207 VanDerWaalsContact O-N 3.13Å; Y207-A209 PolarHBondContact O-N 3.35Å; Y207-S229 PolarHBondContact O-OG 2.66Å; Y207-L232 HydrophobicContact CD1-CB 3.97Å; Y207-E236 PolarHBondContact OH-OE2 3.28Å
208	L	87.9	Confident	66.1	Low	19 Å²	19	71 Å²	71	10%	0.099	36%	0.363	C	S	.	.			trans	-69.9	128.4	-171.2	-166.7	63	0	0	0	111.1	R205 R212 I213 W228 V257	R205-L208 HydrophobicContact CB-CB 4.27Å; R205-L208 HydrophobicContact CB-CD2 4.27Å; R205-L208 HydrophobicContact CG-CD2 4.1Å; R205-L208 VanDerWaalsContact O-CB 3.3Å; R205-L208 WeakPolarHBondContact O-CB 3.32Å; R205-L208 PolarHBondContact O-N 2.83Å; L208-R212 HydrophobicContact CD1-CB 3.53Å; L208-R212 HydrophobicContact CD1-CG 4.25Å; L208-R212 VanDerWaalsContact CD1-NH2 3.34Å; L208-R212 HydrophobicContact CG-CB 3.88Å; L208-I213 HydrophobicContact CD2-CG1 3.65Å; L208-I213 HydrophobicContact CG-CG1 3.96Å; L208-W228 PolarHBondContact O-NE1 3.08Å; L208-V257 WeakPolarHBondContact O-CG1 3.11Å
209	A	90.2	Very high	66.1	Low	0 Å²	0	77.8 Å²	77.8	0%	0	39%	0.391	C	S	.	.			trans	-69.9	148.7	177.5	0	0	0	0	0	112.2	Y207 E211 R212 I213 W228	Y207-A209 PolarHBondContact O-N 3.35Å; A209-E211 VanDerWaalsContact C-N 3.3Å; A209-E211 VanDerWaalsContact CB-CD 3.46Å; A209-E211 VanDerWaalsContact CB-OE1 3.22Å; A209-E211 WeakPolarHBondContact CB-OE1 3.27Å; A209-E211 WeakPolarHBondContact CB-OE2 3.4Å; A209-E211 PolarHBondContact O-N 2.65Å; A209-R212 HydrophobicContact CB-CG 4.48Å; A209-R212 WeakPolarHBondContact O-CB 3.15Å; A209-R212 PolarHBondContact O-N 3.37Å; A209-I213 PolarHBondContact O-N 3.41Å; A209-W228 VanDerWaalsContact CA-CD1 3.45Å; A209-W228 HydrophobicContact CB-CB 3.79Å; A209-W228 HydrophobicContact CB-CD2 4.41Å; A209-W228 HydrophobicContact CB-CG 3.72Å
210	P	89.9	Confident	66.5	Low	7 Å²	7	71.6 Å²	71.6	5%	0.045	36%	0.359	C	S	.	.	H	α-helix	trans	-53.9	-41.5	-177.7	-25	30.9	0	0	0	114	R212 I213 N214 W228 V257 K285	P210-R212 PolarHBondContact O-N 2.67Å; P210-I213 WeakPolarHBondContact O-CB 3.03Å; P210-I213 PolarHBondContact O-N 3.47Å; P210-I213 VanDerWaalsContact O-N 3.09Å; P210-N214 PolarHBondContact O-N 3.38Å; P210-N214 PolarHBondContact O-ND2 3.25Å; P210-W228 HydrophobicContact CG-CD2 4.43Å; P210-W228 HydrophobicContact CG-CE3 4.19Å; P210-W228 HydrophobicContact CG-CH2 3.72Å; P210-W228 HydrophobicContact CG-CZ2 3.97Å; P210-W228 HydrophobicContact CG-CZ3 3.82Å; P210-V257 HydrophobicContact CB-CG1 4.37Å; P210-V257 HydrophobicContact CG-CG1 3.88Å; P210-K285 HydrophobicContact CG-CD 4.09Å
211	E	87.5	Confident	67.1	Low	25 Å²	25	68.2 Å²	68.2	12%	0.117	34%	0.336	C	S	.	.	H	α-helix	trans	-63	-31.3	178.7	67.5	-81.9	-170	0	0	112.5	A209 I213 N214 T215 S225 K287 R290	A209-E211 VanDerWaalsContact C-N 3.3Å; A209-E211 VanDerWaalsContact CB-CD 3.46Å; A209-E211 VanDerWaalsContact CB-OE1 3.22Å; A209-E211 WeakPolarHBondContact CB-OE1 3.27Å; A209-E211 WeakPolarHBondContact CB-OE2 3.4Å; A209-E211 PolarHBondContact O-N 2.65Å; E211-I213 VanDerWaalsContact C-N 3.29Å; E211-I213 PolarHBondContact O-N 3.45Å; E211-N214 PolarHBondContact O-N 3.12Å; E211-T215 WeakPolarHBondContact O-CG2 3.12Å; E211-T215 PolarHBondContact O-N 3.07Å; E211-T215 PolarHBondContact O-OG1 2.54Å; E211-S225 WeakPolarHBondContact OE1-CA 3.34Å; E211-S225 WeakPolarHBondContact OE1-CB 3.27Å; E211-S225 PolarHBondContact OE1-OG 2.76Å; E211-K287 HydrophobicContact CB-CD 4.33Å; E211-K287 HydrophobicContact CG-CB 4.42Å; E211-K287 HydrophobicContact CG-CD 4Å; E211-R290 IonicContact OE1-CZ 2.66Å; E211-R290 IonicContact OE1-NH1 3.03Å; E211-R290 PolarHBondContact OE1-NH1 3.45Å; E211-R290 IonicContact OE1-NH2 2.82Å; E211-R290 IonicContact OE2-CZ 3.44Å; E211-R290 IonicContact OE2-NH1 2.71Å; E211-R290 PolarHBondContact OE2-NH1 3.21Å; E211-R290 IonicContact OE2-NH2 2.9Å; E211-R290 PolarHBondContact OE2-NH2 3.22Å
212	R	79.8	Confident	68.5	Low	33 Å²	33	65 Å²	65	13%	0.125	32%	0.321	C	S	.	.	H	α-helix	trans	-76.6	-16.3	177.5	-67.1	-177.2	57.5	-164.6	-9.8	113	R167 L208 A209 P210 F221	R167-R212 PolarHBondContact O-NH1 3.46Å; L208-R212 HydrophobicContact CD1-CB 3.53Å; L208-R212 HydrophobicContact CD1-CG 4.25Å; L208-R212 VanDerWaalsContact CD1-NH2 3.34Å; L208-R212 HydrophobicContact CG-CB 3.88Å; A209-R212 HydrophobicContact CB-CG 4.48Å; A209-R212 WeakPolarHBondContact O-CB 3.15Å; A209-R212 PolarHBondContact O-N 3.37Å; P210-R212 PolarHBondContact O-N 2.67Å; R212-F221 VanDerWaalsContact CZ-CZ 3.48Å
213	I	77.6	Confident	70.2	Confident	40 Å²	40	60.6 Å²	60.6	21%	0.205	30%	0.298	C	S	.	.	H	α-helix	trans	-83.5	-37.4	174.7	-60.7	172.4	0	0	0	110.2	L208 A209 P210 E211 L254 V257 V258	L208-I213 HydrophobicContact CD2-CG1 3.65Å; L208-I213 HydrophobicContact CG-CG1 3.96Å; A209-I213 PolarHBondContact O-N 3.41Å; P210-I213 WeakPolarHBondContact O-CB 3.03Å; P210-I213 PolarHBondContact O-N 3.47Å; P210-I213 VanDerWaalsContact O-N 3.09Å; E211-I213 VanDerWaalsContact C-N 3.29Å; E211-I213 PolarHBondContact O-N 3.45Å; I213-L254 HydrophobicContact CB-CD2 4.45Å; I213-L254 HydrophobicContact CD1-CB 4.46Å; I213-L254 HydrophobicContact CD1-CD2 3.52Å; I213-L254 HydrophobicContact CG1-CD2 3.7Å; I213-L254 HydrophobicContact CG2-CB 4.15Å; I213-L254 HydrophobicContact CG2-CD2 3.93Å; I213-L254 HydrophobicContact CG2-CG 4.43Å; I213-V257 HydrophobicContact CD1-CB 3.64Å; I213-V257 HydrophobicContact CD1-CG1 3.41Å; I213-V257 VanDerWaalsContact CD1-CG1 3.41Å; I213-V257 HydrophobicContact CD1-CG2 4.37Å; I213-V258 HydrophobicContact CB-CG2 3.96Å; I213-V258 HydrophobicContact CD1-CG2 3.99Å; I213-V258 HydrophobicContact CG2-CG2 3.81Å
214	N	69.5	Low	72.2	Confident	109 Å²	109	61.3 Å²	61.3	58%	0.583	29%	0.292	S	S	*	.	H	α-helix	trans	-82.6	-19.9	-173.8	-69.8	-27.9	0	0	0	113.8	P210 E211	P210-N214 PolarHBondContact O-N 3.38Å; P210-N214 PolarHBondContact O-ND2 3.25Å; E211-N214 PolarHBondContact O-N 3.12Å
215	T	62.2	Low	73.9	Confident	58 Å²	58	58.4 Å²	58.4	36%	0.356	27%	0.274	S	S	.	.			trans	-92.3	135.2	179.2	55.8	0	0	0	0	112	E211 E217	E211-T215 WeakPolarHBondContact O-CG2 3.12Å; E211-T215 PolarHBondContact O-N 3.07Å; E211-T215 PolarHBondContact O-OG1 2.54Å; T215-E217 VanDerWaalsContact C-N 3.28Å; T215-E217 PolarHBondContact OG1-O 3.25Å
216	R	55.9	Low	74.9	Confident	253 Å²	253	55 Å²	55	96%	0.955	26%	0.261	S	S	*	.	S	Bend	trans	-75.5	-18.2	172	-70.5	-175.1	177.6	-176.4	-0.3	113.3
217	E	52.6	Low	75.7	Confident	131 Å²	131	54.3 Å²	54.3	61%	0.612	26%	0.256	S	S	*	.	S	Bend	trans	-124.5	161.1	-168.9	-65.6	-177.2	-174.2	0	0	111.8	T215 E219 G220	T215-E217 VanDerWaalsContact C-N 3.28Å; T215-E217 PolarHBondContact OG1-O 3.25Å; E217-E219 HydrophobicContact CB-CG 4.28Å; E217-E219 PolarHBondContact O-N 3.27Å; E217-G220 PolarHBondContact O-N 2.8Å
218	N	52.5	Low	76	Confident	120 Å²	120	52.4 Å²	52.4	64%	0.642	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-60.3	-1.4	178.4	-75.9	-20.4	0	0	0	114.3	G220 F221	N218-G220 PolarHBondContact O-N 3.09Å; N218-G220 VanDerWaalsContact O-N 3.17Å; N218-F221 HydrophobicContact CB-CD2 4.43Å; N218-F221 PolarHBondContact O-N 3.29Å
219	E	51	Low	76.4	Confident	162 Å²	162	51.6 Å²	51.6	76%	0.757	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-61.3	-17	173.2	-58.7	-167.6	148.8	0	0	113.2	E217	E217-E219 HydrophobicContact CB-CG 4.28Å; E217-E219 PolarHBondContact O-N 3.27Å
220	G	53.2	Low	76.7	Confident	3 Å²	3	51.7 Å²	51.7	3%	0.031	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-76.5	-17.9	-179.9	0	0	0	0	0	115.4	E217 N218 C222 S225	E217-G220 PolarHBondContact O-N 2.8Å; N218-G220 PolarHBondContact O-N 3.09Å; N218-G220 VanDerWaalsContact O-N 3.17Å; G220-C222 PolarHBondContact O-N 3.07Å; G220-S225 PolarHBondContact O-OG 3.36Å
221	F	60.6	Low	77.2	Confident	32 Å²	32	51.3 Å²	51.3	14%	0.14	24%	0.242	C	C	.	.			trans	-78.6	110.2	-176.2	-71	-91.9	0	0	0	111.5	R167 R212 N218	R167-F221 HydrophobicContact CB-CD1 4Å; R167-F221 HydrophobicContact CB-CE1 3.78Å; R167-F221 HydrophobicContact CG-CD1 3.55Å; R167-F221 HydrophobicContact CG-CE1 3.79Å; R167-F221 HydrophobicContact CG-CG 4.49Å; R212-F221 VanDerWaalsContact CZ-CZ 3.48Å; N218-F221 HydrophobicContact CB-CD2 4.43Å; N218-F221 PolarHBondContact O-N 3.29Å
222	C	73	Confident	77.6	Confident	29 Å²	29	50.3 Å²	50.3	20%	0.196	24%	0.238	C	C	.	.			trans	-133.2	166.4	169.2	66.6	0	0	0	0	110.1	G220 R224 S225	G220-C222 PolarHBondContact O-N 3.07Å; C222-R224 PolarHBondContact O-N 2.96Å; C222-S225 WeakPolarHBondContact O-CB 3.2Å; C222-S225 PolarHBondContact O-N 2.76Å; C222-S225 PolarHBondContact O-OG 2.96Å
223	I	83.6	Confident	78.5	Confident	33 Å²	33	48.7 Å²	48.7	17%	0.169	23%	0.232	C	C	.	.	H	α-helix	trans	-51.8	-30.5	174.9	60.9	176.1	0	0	0	112.6	H160 I165 S225 D226 V227 N292 Y293	H160-I223 WeakPolarHBondContact ND1-CG2 3.47Å; I165-I223 HydrophobicContact CG1-CG2 4.5Å; I223-S225 VanDerWaalsContact C-N 3.27Å; I223-S225 PolarHBondContact O-N 2.82Å; I223-D226 PolarHBondContact O-N 2.84Å; I223-V227 WeakPolarHBondContact O-CG2 3.48Å; I223-V227 PolarHBondContact O-N 3.23Å; I223-N292 HydrophobicContact CD1-CB 4.28Å; I223-Y293 HydrophobicContact CB-CE2 3.9Å; I223-Y293 HydrophobicContact CG2-CE2 4.04Å; I223-Y293 PolarHBondContact O-OH 2.87Å
224	R	91.7	Very high	79.5	Confident	45 Å²	45	46.9 Å²	46.9	17%	0.17	22%	0.222	C	C	.	.	H	α-helix	trans	-71.6	-21	179.5	-56.6	-63.6	-171	79.7	-15.6	112.8	C222 V227 W228 K287 D288 R290 P291	C222-R224 PolarHBondContact O-N 2.96Å; R224-V227 PolarHBondContact O-N 3.44Å; R224-W228 PolarHBondContact O-N 3.47Å; R224-K287 HydrophobicContact CB-CB 4.11Å; R224-K287 WeakPolarHBondContact CB-O 3.34Å; R224-K287 WeakPolarHBondContact CG-O 3.36Å; R224-K287 PolarHBondContact NH1-O 3.19Å; R224-D288 VanDerWaalsContact NH1-C 3.26Å; R224-D288 PolarHBondContact NH1-O 2.84Å; R224-R290 PolarHBondContact NE-O 3.45Å; R224-R290 PolarHBondContact NH1-O 2.91Å; R224-R290 PolarHBondContact NH2-O 2.98Å; R224-R290 VanDerWaalsContact NH2-O 3.08Å; R224-R290 WeakPolarHBondContact O-CD 3.47Å; R224-R290 PolarHBondContact O-NH1 3.05Å; R224-P291 WeakPolarHBondContact CD-O 3.24Å; R224-P291 PolarHBondContact NE-O 3.49Å
225	S	90.4	Very high	80.8	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.007	20%	0.195	C	C	.	.	H	α-helix	trans	-72.6	-36.7	172.4	-53.4	0	0	0	0	111.5	E211 G220 C222 I223 V227 W228 S229	E211-S225 WeakPolarHBondContact OE1-CA 3.34Å; E211-S225 WeakPolarHBondContact OE1-CB 3.27Å; E211-S225 PolarHBondContact OE1-OG 2.76Å; G220-S225 PolarHBondContact O-OG 3.36Å; C222-S225 WeakPolarHBondContact O-CB 3.2Å; C222-S225 PolarHBondContact O-N 2.76Å; C222-S225 PolarHBondContact O-OG 2.96Å; I223-S225 VanDerWaalsContact C-N 3.27Å; I223-S225 PolarHBondContact O-N 2.82Å; S225-V227 VanDerWaalsContact C-N 3.31Å; S225-W228 WeakPolarHBondContact O-CB 3.22Å; S225-W228 PolarHBondContact O-N 3.48Å; S225-S229 PolarHBondContact O-N 2.69Å; S225-S229 PolarHBondContact O-OG 3.17Å; S225-S229 VanDerWaalsContact O-OG 3.08Å
226	D	93.3	Very high	82.5	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-67.3	-34.2	172.9	-76.6	-13.4	0	0	0	111.3	I165 H166 R167 V169 I223 W228 S229 L230 Y293	I165-D226 WeakPolarHBondContact CG2-OD2 3.42Å; H166-D226 WeakPolarHBondContact CA-OD2 3.35Å; H166-D226 VanDerWaalsContact CB-OD2 3.32Å; H166-D226 WeakPolarHBondContact CB-OD2 3.22Å; H166-D226 PolarHBondContact N-OD2 2.85Å; R167-D226 VanDerWaalsContact CA-OD1 3.23Å; R167-D226 WeakPolarHBondContact CA-OD1 3.45Å; R167-D226 PolarHBondContact N-OD1 3.13Å; R167-D226 PolarHBondContact N-OD2 2.84Å; V169-D226 HydrophobicContact CG2-CB 3.92Å; I223-D226 PolarHBondContact O-N 2.84Å; D226-W228 VanDerWaalsContact C-N 3.34Å; D226-W228 PolarHBondContact O-N 3.44Å; D226-S229 WeakPolarHBondContact O-CB 3.35Å; D226-S229 PolarHBondContact O-N 3.49Å; D226-L230 WeakPolarHBondContact O-CB 3.35Å; D226-L230 PolarHBondContact O-N 3.05Å; D226-Y293 WeakPolarHBondContact CB-OH 3.33Å; D226-Y293 PolarHBondContact OD2-OH 2.88Å
227	V	97.3	Very high	84.5	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-39.8	173.3	172.2	0	0	0	0	112	I223 R224 S225 L230 G231 C282 R290 P291 Y293 L296	I223-V227 WeakPolarHBondContact O-CG2 3.48Å; I223-V227 PolarHBondContact O-N 3.23Å; R224-V227 PolarHBondContact O-N 3.44Å; S225-V227 VanDerWaalsContact C-N 3.31Å; V227-L230 WeakPolarHBondContact O-CB 3.45Å; V227-L230 PolarHBondContact O-N 2.77Å; V227-G231 PolarHBondContact O-N 2.82Å; V227-C282 HydrophobicContact CG1-CB 4Å; V227-C282 WeakPolarHBondContact O-CB 3.15Å; V227-R290 HydrophobicContact CG1-CB 4.1Å; V227-P291 HydrophobicContact CG1-CG 4.36Å; V227-Y293 HydrophobicContact CG2-CD1 4.05Å; V227-Y293 HydrophobicContact CG2-CE1 3.69Å; V227-L296 HydrophobicContact CG1-CD1 4.1Å; V227-L296 HydrophobicContact CG2-CD1 3.88Å
228	W	96.5	Very high	86.6	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.8	-50.1	172.7	172.7	-81.5	0	0	0	111.7	L208 A209 P210 R224 S225 D226 L230 G231 L232 V257 L283 K285	L208-W228 PolarHBondContact O-NE1 3.08Å; A209-W228 VanDerWaalsContact CA-CD1 3.45Å; A209-W228 HydrophobicContact CB-CB 3.79Å; A209-W228 HydrophobicContact CB-CD2 4.41Å; A209-W228 HydrophobicContact CB-CG 3.72Å; P210-W228 HydrophobicContact CG-CD2 4.43Å; P210-W228 HydrophobicContact CG-CE3 4.19Å; P210-W228 HydrophobicContact CG-CH2 3.72Å; P210-W228 HydrophobicContact CG-CZ2 3.97Å; P210-W228 HydrophobicContact CG-CZ3 3.82Å; R224-W228 PolarHBondContact O-N 3.47Å; S225-W228 WeakPolarHBondContact O-CB 3.22Å; S225-W228 PolarHBondContact O-N 3.48Å; D226-W228 VanDerWaalsContact C-N 3.34Å; D226-W228 PolarHBondContact O-N 3.44Å; W228-L230 VanDerWaalsContact C-N 3.26Å; W228-L230 PolarHBondContact O-N 3.09Å; W228-G231 WeakPolarHBondContact O-CA 3.49Å; W228-G231 PolarHBondContact O-N 3.45Å; W228-L232 VanDerWaalsContact NE1-CD1 3.25Å; W228-L232 PolarHBondContact O-N 3.47Å; W228-V257 HydrophobicContact CZ2-CG1 3.96Å; W228-L283 HydrophobicContact CD2-CD2 4.03Å; W228-L283 HydrophobicContact CE3-CD2 4.13Å; W228-L283 HydrophobicContact CG-CD2 4.46Å; W228-L283 HydrophobicContact CZ3-CB 4.4Å; W228-L283 HydrophobicContact CZ3-CD2 4.43Å; W228-L283 WeakPolarHBondContact CZ3-O 3.44Å; W228-K285 HydrophobicContact CH2-CD 3.97Å; W228-K285 HydrophobicContact CZ3-CD 4.11Å
229	S	95.3	Very high	88.7	Confident	2 Å²	2	17.6 Å²	17.6	1%	0.014	9%	0.088	C	C	.	.	H	α-helix	trans	-59	-38.9	178.5	-55.3	0	0	0	0	111.9	V169 Y207 S225 D226 S233	V169-S229 WeakPolarHBondContact O-CB 3.47Å; Y207-S229 PolarHBondContact O-OG 2.66Å; S225-S229 PolarHBondContact O-N 2.69Å; S225-S229 PolarHBondContact O-OG 3.17Å; S225-S229 VanDerWaalsContact O-OG 3.08Å; D226-S229 WeakPolarHBondContact O-CB 3.35Å; D226-S229 PolarHBondContact O-N 3.49Å; S229-S233 WeakPolarHBondContact O-CB 2.98Å; S229-S233 PolarHBondContact O-N 3.1Å; S229-S233 PolarHBondContact O-OG 3.11Å
230	L	98.1	Very high	90.7	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-60.6	-50.8	171	176.2	65.9	0	0	0	110.7	V152 V153 V169 M174 D226 V227 W228 L232 S233 V234 F278 L296	V152-L230 HydrophobicContact CB-CD1 4.44Å; V152-L230 HydrophobicContact CG1-CD1 3.77Å; V153-L230 HydrophobicContact CG2-CD2 3.58Å; V169-L230 HydrophobicContact CG1-CB 4.24Å; M174-L230 HydrophobicContact CE-CD1 4.46Å; D226-L230 WeakPolarHBondContact O-CB 3.35Å; D226-L230 PolarHBondContact O-N 3.05Å; V227-L230 WeakPolarHBondContact O-CB 3.45Å; V227-L230 PolarHBondContact O-N 2.77Å; W228-L230 VanDerWaalsContact C-N 3.26Å; W228-L230 PolarHBondContact O-N 3.09Å; L230-L232 VanDerWaalsContact C-N 3.29Å; L230-L232 PolarHBondContact O-N 2.87Å; L230-S233 CarbonylContact O-C 3.57Å; L230-S233 WeakPolarHBondContact O-CA 3Å; L230-S233 WeakPolarHBondContact O-CB 3.37Å; L230-S233 PolarHBondContact O-N 3.46Å; L230-V234 HydrophobicContact CD1-CG2 3.92Å; L230-V234 HydrophobicContact CG-CG2 4.2Å; L230-V234 WeakPolarHBondContact O-CG2 3.38Å; L230-V234 PolarHBondContact O-N 2.98Å; L230-F278 HydrophobicContact CD2-CZ 4.28Å; L230-L296 HydrophobicContact CD2-CD1 4.01Å
231	G	98.5	Very high	92.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-53.2	-44.9	178.1	0	0	0	0	0	113.1	V227 W228 V234 L235	V227-G231 PolarHBondContact O-N 2.82Å; W228-G231 WeakPolarHBondContact O-CA 3.49Å; W228-G231 PolarHBondContact O-N 3.45Å; G231-V234 PolarHBondContact O-N 3.01Å; G231-L235 WeakPolarHBondContact O-CB 3.16Å; G231-L235 PolarHBondContact O-N 3.34Å
232	L	97.5	Very high	94	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.016	10%	0.102	C	C	.	.	H	α-helix	trans	-65.1	-41.1	175.2	-68	-179.4	0	0	0	112.1	A206 Y207 W228 L230 L235 E236 C243 Y244 P263 L283	A206-L232 WeakPolarHBondContact O-CD1 3.43Å; Y207-L232 HydrophobicContact CD1-CB 3.97Å; W228-L232 VanDerWaalsContact NE1-CD1 3.25Å; W228-L232 PolarHBondContact O-N 3.47Å; L230-L232 VanDerWaalsContact C-N 3.29Å; L230-L232 PolarHBondContact O-N 2.87Å; L232-L235 PolarHBondContact O-N 3.24Å; L232-E236 WeakPolarHBondContact O-CB 3.32Å; L232-E236 PolarHBondContact O-N 2.98Å; L232-C243 HydrophobicContact CD2-CB 4Å; L232-Y244 HydrophobicContact CD1-CD2 4.17Å; L232-Y244 HydrophobicContact CD1-CE2 4.02Å; L232-Y244 HydrophobicContact CD2-CD2 4.48Å; L232-Y244 HydrophobicContact CD2-CE2 3.94Å; L232-P263 HydrophobicContact CD2-CG 4Å; L232-L283 HydrophobicContact CD2-CD1 4.2Å; L232-L283 HydrophobicContact CD2-CD2 3.7Å; L232-L283 HydrophobicContact CG-CD2 3.77Å
233	S	97.9	Very high	94.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.1	-44.2	177.5	-57.3	0	0	0	0	112	K170 S229 L230 E236 L237	K170-S233 WeakPolarHBondContact CA-OG 3.32Å; S229-S233 WeakPolarHBondContact O-CB 2.98Å; S229-S233 PolarHBondContact O-N 3.1Å; S229-S233 PolarHBondContact O-OG 3.11Å; L230-S233 CarbonylContact O-C 3.57Å; L230-S233 WeakPolarHBondContact O-CA 3Å; L230-S233 WeakPolarHBondContact O-CB 3.37Å; L230-S233 PolarHBondContact O-N 3.46Å; S233-E236 PolarHBondContact O-N 2.69Å; S233-L237 WeakPolarHBondContact O-CB 3.49Å; S233-L237 VanDerWaalsContact O-CG 3.29Å; S233-L237 WeakPolarHBondContact O-CG 3.39Å; S233-L237 PolarHBondContact O-N 2.51Å
234	V	98.5	Very high	94.8	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-66.7	-40.6	178	-176.7	0	0	0	0	110.8	L145 V149 L230 G231 E236 L237 A238 L275 F278 I279	L145-V234 HydrophobicContact CD1-CG1 4.46Å; L145-V234 HydrophobicContact CD2-CG1 4.4Å; V149-V234 HydrophobicContact CB-CG2 4.49Å; V149-V234 HydrophobicContact CG1-CG2 4.16Å; V149-V234 HydrophobicContact CG2-CB 4.3Å; V149-V234 HydrophobicContact CG2-CG1 3.85Å; V149-V234 HydrophobicContact CG2-CG2 3.45Å; V149-V234 VanDerWaalsContact CG2-CG2 3.45Å; L230-V234 HydrophobicContact CD1-CG2 3.92Å; L230-V234 HydrophobicContact CG-CG2 4.2Å; L230-V234 WeakPolarHBondContact O-CG2 3.38Å; L230-V234 PolarHBondContact O-N 2.98Å; G231-V234 PolarHBondContact O-N 3.01Å; V234-E236 VanDerWaalsContact C-N 3.35Å; V234-L237 PolarHBondContact O-N 2.87Å; V234-A238 VanDerWaalsContact O-CB 3.31Å; V234-A238 WeakPolarHBondContact O-CB 3.48Å; V234-A238 PolarHBondContact O-N 2.8Å; V234-L275 HydrophobicContact CG1-CD1 3.79Å; V234-F278 HydrophobicContact CG2-CE1 4.2Å; V234-I279 HydrophobicContact CB-CG1 4.26Å; V234-I279 HydrophobicContact CG1-CD1 4.05Å; V234-I279 HydrophobicContact CG1-CG1 4.01Å
235	L	97.7	Very high	94.3	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-62.9	-41	175.6	-178.7	54.6	0	0	0	111.8	G231 L232 A238 T239 C243 P263 L265 I279 L283	G231-L235 WeakPolarHBondContact O-CB 3.16Å; G231-L235 PolarHBondContact O-N 3.34Å; L232-L235 PolarHBondContact O-N 3.24Å; L235-A238 PolarHBondContact O-N 3.01Å; L235-T239 HydrophobicContact CD1-CG2 3.81Å; L235-T239 WeakPolarHBondContact O-CB 3.37Å; L235-T239 WeakPolarHBondContact O-CG2 3.35Å; L235-T239 PolarHBondContact O-N 3.3Å; L235-T239 PolarHBondContact O-OG1 2.93Å; L235-C243 WeakPolarHBondContact CD2-SG 3.29Å; L235-P263 HydrophobicContact CD2-CB 3.49Å; L235-P263 VanDerWaalsContact CD2-CB 3.49Å; L235-L265 HydrophobicContact CD1-CB 4.41Å; L235-L265 HydrophobicContact CD1-CD2 3.52Å; L235-L265 HydrophobicContact CD1-CG 3.77Å; L235-I279 HydrophobicContact CB-CD1 4.26Å; L235-I279 HydrophobicContact CB-CG2 4.19Å; L235-I279 HydrophobicContact CD1-CD1 4.34Å; L235-I279 HydrophobicContact CD2-CG2 4.38Å; L235-L283 HydrophobicContact CD2-CD1 4.07Å
236	E	97.2	Very high	93.5	Very high	17 Å²	17	26.2 Å²	26.2	8%	0.079	14%	0.141	C	C	.	.	H	α-helix	trans	-63.9	-46.9	173.7	177.4	167.4	-179.3	0	0	111.6	L130 Y207 L232 S233 V234 A238 T239 G240	L130-E236 HydrophobicContact CD1-CG 4.31Å; L130-E236 WeakPolarHBondContact CD1-O 3.31Å; L130-E236 HydrophobicContact CD2-CG 3.97Å; Y207-E236 PolarHBondContact OH-OE2 3.28Å; L232-E236 WeakPolarHBondContact O-CB 3.32Å; L232-E236 PolarHBondContact O-N 2.98Å; S233-E236 PolarHBondContact O-N 2.69Å; V234-E236 VanDerWaalsContact C-N 3.35Å; E236-A238 VanDerWaalsContact C-N 3.27Å; E236-A238 PolarHBondContact O-N 3.16Å; E236-T239 PolarHBondContact O-N 2.8Å; E236-G240 WeakPolarHBondContact O-CA 3.16Å; E236-G240 PolarHBondContact O-N 3.45Å
237	L	98.1	Very high	92.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-56.3	-41	175.1	-73.3	170.9	0	0	0	112.4	L126 L130 Y134 F140 L145 I148 S233 V234	L126-L237 HydrophobicContact CB-CD2 4.16Å; L126-L237 HydrophobicContact CD1-CD1 4.09Å; L130-L237 HydrophobicContact CB-CD2 4.46Å; L130-L237 VanDerWaalsContact CD1-CA 3.48Å; L130-L237 HydrophobicContact CD1-CD2 3.86Å; Y134-L237 WeakPolarHBondContact CE2-O 3.19Å; Y134-L237 PolarHBondContact OH-O 3.33Å; F140-L237 VanDerWaalsContact CD2-O 3.31Å; F140-L237 WeakPolarHBondContact CD2-O 3.21Å; F140-L237 HydrophobicContact CE2-CD2 4.22Å; F140-L237 HydrophobicContact CZ-CD2 4.12Å; L145-L237 HydrophobicContact CD1-CB 3.66Å; L145-L237 HydrophobicContact CD1-CD1 4.14Å; I148-L237 HydrophobicContact CG2-CD1 4.18Å; S233-L237 WeakPolarHBondContact O-CB 3.49Å; S233-L237 VanDerWaalsContact O-CG 3.29Å; S233-L237 WeakPolarHBondContact O-CG 3.39Å; S233-L237 PolarHBondContact O-N 2.51Å; V234-L237 PolarHBondContact O-N 2.87Å
238	A	97	Very high	91.2	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-74.4	-24.7	-179.6	0	0	0	0	0	114.4	Y134 L145 V234 L235 E236 L265 Y271 L275	Y134-A238 PolarHBondContact OH-O 3.1Å; L145-A238 HydrophobicContact CD2-CB 3.93Å; V234-A238 VanDerWaalsContact O-CB 3.31Å; V234-A238 WeakPolarHBondContact O-CB 3.48Å; V234-A238 PolarHBondContact O-N 2.8Å; L235-A238 PolarHBondContact O-N 3.01Å; E236-A238 VanDerWaalsContact C-N 3.27Å; E236-A238 PolarHBondContact O-N 3.16Å; A238-L265 HydrophobicContact CB-CD2 3.89Å; A238-Y271 HydrophobicContact CB-CE1 4.11Å; A238-Y271 VanDerWaalsContact O-CE1 3.3Å; A238-Y271 WeakPolarHBondContact O-CE1 3.39Å; A238-Y271 PolarHBondContact O-OH 2.97Å; A238-L275 HydrophobicContact CB-CD2 4.34Å
239	T	95.4	Very high	90.5	Very high	30 Å²	30	38.2 Å²	38.2	18%	0.184	21%	0.213	C	C	.	.	H	α-helix	trans	-115.4	-15.1	-173.1	62	0	0	0	0	114.5	Y134 L235 E236 K241 L265 P266	Y134-T239 VanDerWaalsContact CE1-C 3.48Å; Y134-T239 WeakPolarHBondContact CE1-O 3.2Å; Y134-T239 PolarHBondContact OH-N 3.4Å; L235-T239 HydrophobicContact CD1-CG2 3.81Å; L235-T239 WeakPolarHBondContact O-CB 3.37Å; L235-T239 WeakPolarHBondContact O-CG2 3.35Å; L235-T239 PolarHBondContact O-N 3.3Å; L235-T239 PolarHBondContact O-OG1 2.93Å; E236-T239 PolarHBondContact O-N 2.8Å; T239-K241 PolarHBondContact O-N 3.48Å; T239-K241 PolarHBondContact OG1-O 3.09Å; T239-L265 HydrophobicContact CG2-CD2 3.92Å; T239-P266 HydrophobicContact CG2-CG 4.37Å
240	G	94.7	Very high	89.7	Confident	20 Å²	20	39.2 Å²	39.2	21%	0.206	22%	0.219	C	C	.	.	S	Bend	trans	76.4	5.9	-176.6	0	0	0	0	0	114.2	Y134 E236	Y134-G240 VanDerWaalsContact CD2-CA 3.43Å; Y134-G240 PolarHBondContact OH-N 2.94Å; E236-G240 WeakPolarHBondContact O-CA 3.16Å; E236-G240 PolarHBondContact O-N 3.45Å
241	K	91.8	Very high	89	Confident	153 Å²	153	46.5 Å²	46.5	67%	0.665	25%	0.251	S	S	*	.	S	Bend	trans	-132.3	130.3	-172.4	-63.9	-179.4	-176.3	176.7	0	110.5	T239	T239-K241 PolarHBondContact O-N 3.48Å; T239-K241 PolarHBondContact OG1-O 3.09Å
242	P	90.1	Very high	88.3	Confident	56 Å²	56	51.4 Å²	51.4	36%	0.364	27%	0.274	S	S	.	.			trans	-64.7	138.6	171.6	27.5	-33.8	0	0	0	109.6	Y244 P245	P242-Y244 PolarHBondContact O-N 2.73Å; P242-P245 HydrophobicContact CG-CB 4.32Å
243	C	87.3	Confident	87.7	Confident	37 Å²	37	51.4 Å²	51.4	25%	0.25	27%	0.274	C	S	.	.	S	Bend	trans	-64.2	-31	178.2	-64.2	0	0	0	0	112.2	L232 L235 P263	L232-C243 HydrophobicContact CD2-CB 4Å; L235-C243 WeakPolarHBondContact CD2-SG 3.29Å; C243-P263 HydrophobicContact CB-CB 4.24Å; C243-P263 HydrophobicContact CB-CG 3.98Å
244	Y	86.7	Confident	87	Confident	11 Å²	11	52.8 Å²	52.8	4%	0.043	28%	0.281	C	S	.	.	S	Bend	trans	-132.7	85.1	-175.2	-60.5	-63.1	0	0	0	109.5	A206 L232 P242 Q253 Q256 V257 P263	A206-Y244 WeakPolarHBondContact O-CD2 3.37Å; L232-Y244 HydrophobicContact CD1-CD2 4.17Å; L232-Y244 HydrophobicContact CD1-CE2 4.02Å; L232-Y244 HydrophobicContact CD2-CD2 4.48Å; L232-Y244 HydrophobicContact CD2-CE2 3.94Å; P242-Y244 PolarHBondContact O-N 2.73Å; Y244-Q253 HydrophobicContact CD1-CG 4.01Å; Y244-Q253 HydrophobicContact CG-CG 4.03Å; Y244-Q256 HydrophobicContact CE1-CB 3.92Å; Y244-V257 HydrophobicContact CD1-CG2 4.29Å; Y244-V257 HydrophobicContact CD2-CG2 4.07Å; Y244-V257 HydrophobicContact CE1-CG2 3.91Å; Y244-V257 HydrophobicContact CE2-CG2 3.65Å; Y244-V257 HydrophobicContact CG-CG2 4.36Å; Y244-P263 HydrophobicContact CE2-CG 4.07Å; Y244-P263 WeakPolarHBondContact OH-CD 3.43Å; Y244-P263 WeakPolarHBondContact OH-CG 3.41Å
245	P	81.1	Confident	86.4	Confident	47 Å²	47	55.2 Å²	55.2	31%	0.305	30%	0.296	S	S	.	.			trans	-68.6	144.2	-174.1	27.6	-34.1	0	0	0	111.9	P242 S247 Q248	P242-P245 HydrophobicContact CG-CB 4.32Å; P245-S247 PolarHBondContact O-N 2.89Å; P245-S247 VanDerWaalsContact O-N 3.13Å; P245-Q248 HydrophobicContact CG-CB 4.48Å; P245-Q248 VanDerWaalsContact O-CB 3.22Å; P245-Q248 WeakPolarHBondContact O-CB 3.17Å; P245-Q248 PolarHBondContact O-N 3.27Å
246	Q	73.1	Confident	86	Confident	162 Å²	162	56.6 Å²	56.6	76%	0.757	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.3	179.4	-68.7	178.3	-10.9	0	0	114.2	Q248	Q246-Q248 PolarHBondContact O-N 2.89Å
247	S	71.5	Confident	85.6	Confident	117 Å²	117	55.8 Å²	55.8	82%	0.818	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-15	174.1	54.3	0	0	0	0	113	P245	P245-S247 PolarHBondContact O-N 2.89Å; P245-S247 VanDerWaalsContact O-N 3.13Å
248	Q	72.1	Confident	85.1	Confident	34 Å²	34	57.1 Å²	57.1	16%	0.159	31%	0.307	C	S	.	.	S	Bend	trans	-80.2	147.6	178.6	-171.9	175.4	-20.3	0	0	111.6	P245 Q246 V250 Q252	P245-Q248 HydrophobicContact CG-CB 4.48Å; P245-Q248 VanDerWaalsContact O-CB 3.22Å; P245-Q248 WeakPolarHBondContact O-CB 3.17Å; P245-Q248 PolarHBondContact O-N 3.27Å; Q246-Q248 PolarHBondContact O-N 2.89Å; Q248-V250 PolarHBondContact O-N 3.48Å; Q248-Q252 HydrophobicContact CG-CB 4.47Å
249	N	81.6	Confident	84.7	Confident	102 Å²	102	64 Å²	64	55%	0.545	34%	0.338	S	S	.	.			trans	-61.2	127.6	172.1	-176	-69.6	0	0	0	110.4	F251 Q252 Q253	N249-F251 VanDerWaalsContact C-N 3.32Å; N249-F251 PolarHBondContact O-N 3.36Å; N249-F251 WeakPolarHBondContact OD1-CB 3.42Å; N249-F251 PolarHBondContact OD1-N 2.82Å; N249-Q252 HydrophobicContact CB-CB 4.16Å; N249-Q252 WeakPolarHBondContact O-CB 3.39Å; N249-Q252 PolarHBondContact O-N 3.44Å; N249-Q252 VanDerWaalsContact O-N 3.07Å; N249-Q252 PolarHBondContact OD1-N 2.96Å; N249-Q253 PolarHBondContact O-N 2.82Å
250	V	78.9	Confident	84.6	Confident	23 Å²	23	66.8 Å²	66.8	14%	0.139	35%	0.349	C	S	.	.	H	α-helix	trans	-63.5	-34.5	-175.1	168.4	0	0	0	0	113.3	I202 Q248 Q252 Q253 L254	I202-V250 HydrophobicContact CB-CG2 4.46Å; I202-V250 HydrophobicContact CG2-CB 3.46Å; I202-V250 VanDerWaalsContact CG2-CB 3.46Å; I202-V250 HydrophobicContact CG2-CG1 3.97Å; I202-V250 HydrophobicContact CG2-CG2 3.12Å; Q248-V250 PolarHBondContact O-N 3.48Å; V250-Q252 VanDerWaalsContact C-N 3.32Å; V250-Q252 PolarHBondContact O-N 3.47Å; V250-Q253 WeakPolarHBondContact O-CB 3.46Å; V250-Q253 PolarHBondContact O-N 3.25Å; V250-L254 HydrophobicContact CG1-CD1 4.03Å; V250-L254 HydrophobicContact CG1-CG 4.19Å; V250-L254 WeakPolarHBondContact O-CG 3.28Å; V250-L254 PolarHBondContact O-N 2.99Å
251	F	81.6	Confident	84.6	Confident	154 Å²	154	71.5 Å²	71.5	68%	0.675	38%	0.376	S	S	*	.	H	α-helix	trans	-62	-45	174.3	178.9	-96.8	0	0	0	110.8	N249 Q253 L254 V255	N249-F251 VanDerWaalsContact C-N 3.32Å; N249-F251 PolarHBondContact O-N 3.36Å; N249-F251 WeakPolarHBondContact OD1-CB 3.42Å; N249-F251 PolarHBondContact OD1-N 2.82Å; F251-Q253 VanDerWaalsContact C-N 3.34Å; F251-Q253 PolarHBondContact O-N 2.96Å; F251-L254 PolarHBondContact O-N 2.93Å; F251-V255 HydrophobicContact CD1-CG2 4.26Å; F251-V255 HydrophobicContact CE1-CG2 3.82Å; F251-V255 HydrophobicContact CE2-CG2 4.47Å; F251-V255 HydrophobicContact CZ-CG2 3.94Å; F251-V255 WeakPolarHBondContact O-CG2 3.36Å; F251-V255 PolarHBondContact O-N 2.79Å
252	Q	84.7	Confident	84.7	Confident	103 Å²	103	65.5 Å²	65.5	48%	0.481	35%	0.353	S	S	.	.	H	α-helix	trans	-59.2	-48.3	175.7	-172.7	-176.3	-8.4	0	0	110.4	Q248 N249 V250 L254 V255 Q256	Q248-Q252 HydrophobicContact CG-CB 4.47Å; N249-Q252 HydrophobicContact CB-CB 4.16Å; N249-Q252 WeakPolarHBondContact O-CB 3.39Å; N249-Q252 PolarHBondContact O-N 3.44Å; N249-Q252 VanDerWaalsContact O-N 3.07Å; N249-Q252 PolarHBondContact OD1-N 2.96Å; V250-Q252 VanDerWaalsContact C-N 3.32Å; V250-Q252 PolarHBondContact O-N 3.47Å; Q252-L254 VanDerWaalsContact C-N 3.34Å; Q252-L254 PolarHBondContact O-N 3.14Å; Q252-V255 WeakPolarHBondContact O-CB 3.47Å; Q252-V255 PolarHBondContact O-N 3.33Å; Q252-V255 VanDerWaalsContact O-N 3.13Å; Q252-Q256 VanDerWaalsContact O-CG 3.31Å; Q252-Q256 WeakPolarHBondContact O-CG 3.37Å; Q252-Q256 PolarHBondContact O-N 3.1Å
253	Q	84.9	Confident	85	Confident	4 Å²	4	64 Å²	64	2%	0.019	34%	0.344	C	S	.	.	H	α-helix	trans	-55.8	-46.8	178.1	-174.5	-169.3	-15.9	0	0	112.6	R205 Y244 N249 V250 F251 V255 Q256 V257	R205-Q253 PolarHBondContact O-NE2 3.44Å; Y244-Q253 HydrophobicContact CD1-CG 4.01Å; Y244-Q253 HydrophobicContact CG-CG 4.03Å; N249-Q253 PolarHBondContact O-N 2.82Å; V250-Q253 WeakPolarHBondContact O-CB 3.46Å; V250-Q253 PolarHBondContact O-N 3.25Å; F251-Q253 VanDerWaalsContact C-N 3.34Å; F251-Q253 PolarHBondContact O-N 2.96Å; Q253-V255 VanDerWaalsContact C-N 3.3Å; Q253-V255 PolarHBondContact O-N 3.38Å; Q253-Q256 WeakPolarHBondContact O-CB 3.46Å; Q253-Q256 PolarHBondContact O-N 2.87Å; Q253-Q256 VanDerWaalsContact O-N 3.15Å; Q253-V257 WeakPolarHBondContact O-CG2 3.42Å; Q253-V257 PolarHBondContact O-N 3.11Å
254	L	84.2	Confident	85.3	Confident	28 Å²	28	68.6 Å²	68.6	15%	0.147	36%	0.361	C	S	.	.	H	α-helix	trans	-61.8	-40.2	178.1	-65.6	173.2	0	0	0	111.3	R205 I213 V250 F251 Q252 Q256 V257 V258	R205-L254 HydrophobicContact CB-CD2 4.49Å; I213-L254 HydrophobicContact CB-CD2 4.45Å; I213-L254 HydrophobicContact CD1-CB 4.46Å; I213-L254 HydrophobicContact CD1-CD2 3.52Å; I213-L254 HydrophobicContact CG1-CD2 3.7Å; I213-L254 HydrophobicContact CG2-CB 4.15Å; I213-L254 HydrophobicContact CG2-CD2 3.93Å; I213-L254 HydrophobicContact CG2-CG 4.43Å; V250-L254 HydrophobicContact CG1-CD1 4.03Å; V250-L254 HydrophobicContact CG1-CG 4.19Å; V250-L254 WeakPolarHBondContact O-CG 3.28Å; V250-L254 PolarHBondContact O-N 2.99Å; F251-L254 PolarHBondContact O-N 2.93Å; Q252-L254 VanDerWaalsContact C-N 3.34Å; Q252-L254 PolarHBondContact O-N 3.14Å; L254-Q256 VanDerWaalsContact C-N 3.34Å; L254-Q256 PolarHBondContact O-N 3.42Å; L254-V257 PolarHBondContact O-N 3.16Å; L254-V258 WeakPolarHBondContact O-CG2 2.88Å; L254-V258 PolarHBondContact O-N 2.71Å
255	V	85.8	Confident	85.7	Confident	52 Å²	52	68.3 Å²	68.3	32%	0.315	36%	0.36	S	S	.	.	H	α-helix	trans	-60.6	-42.7	173.9	169.4	0	0	0	0	111.1	F251 Q252 Q253 V258 H259	F251-V255 HydrophobicContact CD1-CG2 4.26Å; F251-V255 HydrophobicContact CE1-CG2 3.82Å; F251-V255 HydrophobicContact CE2-CG2 4.47Å; F251-V255 HydrophobicContact CZ-CG2 3.94Å; F251-V255 WeakPolarHBondContact O-CG2 3.36Å; F251-V255 PolarHBondContact O-N 2.79Å; Q252-V255 WeakPolarHBondContact O-CB 3.47Å; Q252-V255 PolarHBondContact O-N 3.33Å; Q252-V255 VanDerWaalsContact O-N 3.13Å; Q253-V255 VanDerWaalsContact C-N 3.3Å; Q253-V255 PolarHBondContact O-N 3.38Å; V255-V258 PolarHBondContact O-N 2.94Å; V255-H259 WeakPolarHBondContact O-CB 3.33Å; V255-H259 PolarHBondContact O-N 2.85Å
256	Q	88.4	Confident	86.2	Confident	33 Å²	33	69.3 Å²	69.3	15%	0.154	37%	0.367	C	S	.	.	H	α-helix	trans	-63.9	-45.4	177.2	-58.2	-166.1	-48	0	0	112.2	Y244 Q252 Q253 L254 V258 E260	Y244-Q256 HydrophobicContact CE1-CB 3.92Å; Q252-Q256 VanDerWaalsContact O-CG 3.31Å; Q252-Q256 WeakPolarHBondContact O-CG 3.37Å; Q252-Q256 PolarHBondContact O-N 3.1Å; Q253-Q256 WeakPolarHBondContact O-CB 3.46Å; Q253-Q256 PolarHBondContact O-N 2.87Å; Q253-Q256 VanDerWaalsContact O-N 3.15Å; L254-Q256 VanDerWaalsContact C-N 3.34Å; L254-Q256 PolarHBondContact O-N 3.42Å; Q256-V258 VanDerWaalsContact C-N 3.26Å; Q256-V258 PolarHBondContact O-N 3.49Å; Q256-E260 HydrophobicContact CB-CB 4.33Å; Q256-E260 HydrophobicContact CB-CG 4.32Å; Q256-E260 WeakPolarHBondContact CB-OE2 3.38Å; Q256-E260 VanDerWaalsContact CD-OE2 3.3Å; Q256-E260 VanDerWaalsContact CG-CD 3.45Å; Q256-E260 HydrophobicContact CG-CG 4.37Å; Q256-E260 WeakPolarHBondContact CG-OE2 3.16Å; Q256-E260 PolarHBondContact NE2-OE2 2.66Å; Q256-E260 VanDerWaalsContact NE2-OE2 3.08Å; Q256-E260 WeakPolarHBondContact O-CB 3.5Å; Q256-E260 PolarHBondContact O-N 2.71Å; Q256-E260 VanDerWaalsContact O-N 3.09Å
257	V	89.6	Confident	86.8	Confident	1 Å²	1	71 Å²	71	1%	0.006	38%	0.375	C	S	.	.	H	α-helix	trans	-60.4	-38.3	178.9	175.3	0	0	0	0	110.9	L208 P210 I213 W228 Y244 Q253 L254 K285	L208-V257 WeakPolarHBondContact O-CG1 3.11Å; P210-V257 HydrophobicContact CB-CG1 4.37Å; P210-V257 HydrophobicContact CG-CG1 3.88Å; I213-V257 HydrophobicContact CD1-CB 3.64Å; I213-V257 HydrophobicContact CD1-CG1 3.41Å; I213-V257 VanDerWaalsContact CD1-CG1 3.41Å; I213-V257 HydrophobicContact CD1-CG2 4.37Å; W228-V257 HydrophobicContact CZ2-CG1 3.96Å; Y244-V257 HydrophobicContact CD1-CG2 4.29Å; Y244-V257 HydrophobicContact CD2-CG2 4.07Å; Y244-V257 HydrophobicContact CE1-CG2 3.91Å; Y244-V257 HydrophobicContact CE2-CG2 3.65Å; Y244-V257 HydrophobicContact CG-CG2 4.36Å; Q253-V257 WeakPolarHBondContact O-CG2 3.42Å; Q253-V257 PolarHBondContact O-N 3.11Å; L254-V257 PolarHBondContact O-N 3.16Å; V257-K285 PolarHBondContact O-NZ 2.04Å
258	V	87.5	Confident	87.2	Confident	29 Å²	29	67.6 Å²	67.6	18%	0.176	35%	0.351	C	S	.	.	H	α-helix	trans	-85.7	-42.3	-177	178.7	0	0	0	0	113	I213 L254 V255 Q256	I213-V258 HydrophobicContact CB-CG2 3.96Å; I213-V258 HydrophobicContact CD1-CG2 3.99Å; I213-V258 HydrophobicContact CG2-CG2 3.81Å; L254-V258 WeakPolarHBondContact O-CG2 2.88Å; L254-V258 PolarHBondContact O-N 2.71Å; V255-V258 PolarHBondContact O-N 2.94Å; Q256-V258 VanDerWaalsContact C-N 3.26Å; Q256-V258 PolarHBondContact O-N 3.49Å
259	H	88.9	Confident	87.3	Confident	149 Å²	149	72.1 Å²	72.1	69%	0.69	39%	0.386	S	S	*	.	H	α-helix	trans	-113.1	-27.5	-165.4	-62.3	-63.6	0	0	0	115.2	V255	V255-H259 WeakPolarHBondContact O-CB 3.33Å; V255-H259 PolarHBondContact O-N 2.85Å
260	E	92.5	Very high	87.5	Confident	88 Å²	88	71.9 Å²	71.9	41%	0.411	39%	0.391	S	S	.	.	S	Bend	trans	-82.3	157.1	177.9	-68	-179	-173.8	0	0	110.9	Q256 K285	Q256-E260 HydrophobicContact CB-CB 4.33Å; Q256-E260 HydrophobicContact CB-CG 4.32Å; Q256-E260 WeakPolarHBondContact CB-OE2 3.38Å; Q256-E260 VanDerWaalsContact CD-OE2 3.3Å; Q256-E260 VanDerWaalsContact CG-CD 3.45Å; Q256-E260 HydrophobicContact CG-CG 4.37Å; Q256-E260 WeakPolarHBondContact CG-OE2 3.16Å; Q256-E260 PolarHBondContact NE2-OE2 2.66Å; Q256-E260 VanDerWaalsContact NE2-OE2 3.08Å; Q256-E260 WeakPolarHBondContact O-CB 3.5Å; Q256-E260 PolarHBondContact O-N 2.71Å; Q256-E260 VanDerWaalsContact O-N 3.09Å; E260-K285 WeakPolarHBondContact O-CE 3.44Å; E260-K285 PolarHBondContact O-NZ 3.27Å
261	P	93.5	Very high	88	Confident	118 Å²	118	73.2 Å²	73.2	77%	0.766	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-50.5	146.3	172.6	-27.1	35.7	0	0	0	112
262	S	95.4	Very high	88.6	Confident	28 Å²	28	67.8 Å²	67.8	20%	0.196	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-61.7	145.5	177.1	-67.8	0	0	0	0	111	L283 K285	S262-L283 WeakPolarHBondContact CB-O 3.28Å; S262-L283 PolarHBondContact OG-O 2.99Å; S262-K285 WeakPolarHBondContact OG-CD 3.45Å; S262-K285 WeakPolarHBondContact OG-CE 3.49Å
263	P	94.9	Very high	89.1	Confident	25 Å²	25	67.3 Å²	67.3	16%	0.162	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-56	143.2	172.6	-25.1	35.5	0	0	0	111.1	L232 L235 C243 Y244 L283	L232-P263 HydrophobicContact CD2-CG 4Å; L235-P263 HydrophobicContact CD2-CB 3.49Å; L235-P263 VanDerWaalsContact CD2-CB 3.49Å; C243-P263 HydrophobicContact CB-CB 4.24Å; C243-P263 HydrophobicContact CB-CG 3.98Å; Y244-P263 HydrophobicContact CE2-CG 4.07Å; Y244-P263 WeakPolarHBondContact OH-CD 3.43Å; Y244-P263 WeakPolarHBondContact OH-CG 3.41Å; P263-L283 HydrophobicContact CB-CD1 4.32Å; P263-L283 WeakPolarHBondContact O-CD1 3.29Å
264	Q	94.7	Very high	89.7	Confident	133 Å²	133	68.1 Å²	68.1	62%	0.621	38%	0.382	S	S	*	.			trans	-130.9	156.4	179.5	-67.3	-178.7	-42	0	0	109.9
265	L	94.4	Very high	90.3	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.021	38%	0.375	C	S	.	.			trans	-59.8	139.2	167	-86.4	174.7	0	0	0	110.3	L235 A238 T239 Y271 L275 R276 I279	L235-L265 HydrophobicContact CD1-CB 4.41Å; L235-L265 HydrophobicContact CD1-CD2 3.52Å; L235-L265 HydrophobicContact CD1-CG 3.77Å; A238-L265 HydrophobicContact CB-CD2 3.89Å; T239-L265 HydrophobicContact CG2-CD2 3.92Å; L265-Y271 HydrophobicContact CD1-CD1 4.43Å; L265-Y271 HydrophobicContact CD1-CG 4.1Å; L265-Y271 HydrophobicContact CD2-CD1 4.16Å; L265-Y271 HydrophobicContact CD2-CD2 4.1Å; L265-Y271 HydrophobicContact CD2-CE1 4.14Å; L265-Y271 HydrophobicContact CD2-CE2 4.09Å; L265-Y271 HydrophobicContact CD2-CG 4.14Å; L265-L275 HydrophobicContact CD1-CD2 3.87Å; L265-L275 HydrophobicContact CD1-CG 3.79Å; L265-R276 HydrophobicContact CD1-CB 4.35Å; L265-R276 PolarHBondContact O-NH1 3.43Å; L265-I279 HydrophobicContact CD1-CD1 3.65Å; L265-I279 HydrophobicContact CD2-CD1 4.2Å; L265-I279 HydrophobicContact CG-CD1 3.7Å
266	P	91.8	Very high	90.8	Very high	69 Å²	69	66.8 Å²	66.8	45%	0.448	37%	0.369	S	S	.	.			trans	-54.1	147.4	172.5	-24.5	33.5	0	0	0	111.7	T239 S268 R276	T239-P266 HydrophobicContact CG2-CG 4.37Å; P266-S268 VanDerWaalsContact C-N 3.29Å; P266-S268 PolarHBondContact O-N 2.66Å; P266-R276 PolarHBondContact O-NH2 3.21Å
267	E	85.8	Confident	91.3	Very high	197 Å²	197	70.1 Å²	70.1	92%	0.921	38%	0.383	S	S	*	.	S	Bend	trans	-66.7	90.6	170.2	-67.8	-170.6	174.5	0	0	109.3
268	S	80.7	Confident	91.7	Very high	46 Å²	46	70.2 Å²	70.2	32%	0.322	38%	0.383	S	S	.	.			trans	-140.6	137	177.4	176.2	0	0	0	0	109.2	P266 C270 Y271	P266-S268 VanDerWaalsContact C-N 3.29Å; P266-S268 PolarHBondContact O-N 2.66Å; S268-C270 PolarHBondContact O-N 2.97Å; S268-C270 PolarHBondContact OG-N 2.64Å; S268-C270 PolarHBondContact OG-SG 3.03Å; S268-Y271 PolarHBondContact O-N 3.16Å
269	S	74.2	Confident	92.2	Very high	128 Å²	128	68.8 Å²	68.8	90%	0.895	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-8	175.1	52	0	0	0	0	113.3	Y271	S269-Y271 VanDerWaalsContact C-N 3.29Å; S269-Y271 PolarHBondContact O-N 2.8Å
270	C	84.4	Confident	92.7	Very high	97 Å²	97	63.9 Å²	63.9	66%	0.655	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-19.2	177.1	-60	0	0	0	0	113.4	S268	S268-C270 PolarHBondContact O-N 2.97Å; S268-C270 PolarHBondContact OG-N 2.64Å; S268-C270 PolarHBondContact OG-SG 3.03Å
271	Y	91.1	Very high	92.9	Very high	52 Å²	52	61.5 Å²	61.5	20%	0.204	35%	0.347	C	S	.	.	S	Bend	trans	-102.8	127	-179.7	-57.8	-65.7	0	0	0	110.5	A238 L265 S268 S269 L275	A238-Y271 HydrophobicContact CB-CE1 4.11Å; A238-Y271 VanDerWaalsContact O-CE1 3.3Å; A238-Y271 WeakPolarHBondContact O-CE1 3.39Å; A238-Y271 PolarHBondContact O-OH 2.97Å; L265-Y271 HydrophobicContact CD1-CD1 4.43Å; L265-Y271 HydrophobicContact CD1-CG 4.1Å; L265-Y271 HydrophobicContact CD2-CD1 4.16Å; L265-Y271 HydrophobicContact CD2-CD2 4.1Å; L265-Y271 HydrophobicContact CD2-CE1 4.14Å; L265-Y271 HydrophobicContact CD2-CE2 4.09Å; L265-Y271 HydrophobicContact CD2-CG 4.14Å; S268-Y271 PolarHBondContact O-N 3.16Å; S269-Y271 VanDerWaalsContact C-N 3.29Å; S269-Y271 PolarHBondContact O-N 2.8Å; Y271-L275 HydrophobicContact CD1-CD2 4.04Å
272	P	93.6	Very high	93.2	Very high	40 Å²	40	55.9 Å²	55.9	26%	0.26	31%	0.31	S	S	.	.			trans	-66.6	149.5	176.6	31.3	-37.4	0	0	0	110.6	T142 S274 L275 R276	T142-P272 HydrophobicContact CG2-CG 3.69Å; P272-S274 PolarHBondContact O-N 3.38Å; P272-L275 HydrophobicContact CG-CB 3.79Å; P272-L275 PolarHBondContact O-N 3.02Å; P272-L275 VanDerWaalsContact O-N 3.16Å; P272-R276 PolarHBondContact O-N 2.87Å
273	N	95	Very high	93.3	Very high	93 Å²	93	54.7 Å²	54.7	50%	0.497	30%	0.302	S	S	.	.	H	α-helix	trans	-61.3	-30	179.2	-167.1	35.4	0	0	0	112.5	R276 K277	N273-R276 PolarHBondContact O-N 3.32Å; N273-K277 WeakPolarHBondContact ND2-CE 3.25Å; N273-K277 WeakPolarHBondContact O-CG 3.33Å; N273-K277 PolarHBondContact O-N 3.2Å
274	S	96.8	Very high	93.4	Very high	21 Å²	21	57.3 Å²	57.3	15%	0.147	31%	0.312	C	S	.	.	H	α-helix	trans	-60.9	-44.5	175.6	55.1	0	0	0	0	112.2	P272 K277 F278	P272-S274 PolarHBondContact O-N 3.38Å; S274-K277 PolarHBondContact O-N 2.92Å; S274-F278 WeakPolarHBondContact O-CB 3.41Å; S274-F278 PolarHBondContact O-N 3.04Å
275	L	97.4	Very high	93.3	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-41.9	175.3	175.8	64.3	0	0	0	111.6	L145 V234 A238 L265 Y271 P272 F278 I279 F301	L145-L275 HydrophobicContact CD2-CD1 4.01Å; L145-L275 HydrophobicContact CD2-CD2 3.89Å; V234-L275 HydrophobicContact CG1-CD1 3.79Å; A238-L275 HydrophobicContact CB-CD2 4.34Å; L265-L275 HydrophobicContact CD1-CD2 3.87Å; L265-L275 HydrophobicContact CD1-CG 3.79Å; Y271-L275 HydrophobicContact CD1-CD2 4.04Å; P272-L275 HydrophobicContact CG-CB 3.79Å; P272-L275 PolarHBondContact O-N 3.02Å; P272-L275 VanDerWaalsContact O-N 3.16Å; L275-F278 WeakPolarHBondContact O-CB 3.41Å; L275-F278 PolarHBondContact O-N 3.41Å; L275-I279 HydrophobicContact CD1-CD1 3.85Å; L275-I279 HydrophobicContact CD1-CG1 4.23Å; L275-I279 HydrophobicContact CG-CD1 4.01Å; L275-I279 WeakPolarHBondContact O-CG1 3.37Å; L275-I279 PolarHBondContact O-N 2.97Å; L275-F301 HydrophobicContact CB-CD2 3.89Å; L275-F301 HydrophobicContact CB-CE2 3.78Å; L275-F301 HydrophobicContact CB-CZ 4.31Å; L275-F301 HydrophobicContact CD1-CD1 4.24Å; L275-F301 HydrophobicContact CD1-CD2 4.42Å; L275-F301 HydrophobicContact CD1-CE1 3.69Å; L275-F301 HydrophobicContact CD1-CE2 3.9Å; L275-F301 HydrophobicContact CD1-CZ 3.52Å; L275-F301 HydrophobicContact CG-CE2 4.33Å; L275-F301 HydrophobicContact CG-CZ 4.4Å
276	R	97.1	Very high	93.2	Very high	49 Å²	49	57.5 Å²	57.5	19%	0.185	32%	0.315	C	S	.	.	H	α-helix	trans	-59.2	-53.8	176.4	179.4	179	-60.5	-76.4	-5.6	111.2	L265 P266 P272 N273 F278 I279 D280	L265-R276 HydrophobicContact CD1-CB 4.35Å; L265-R276 PolarHBondContact O-NH1 3.43Å; P266-R276 PolarHBondContact O-NH2 3.21Å; P272-R276 PolarHBondContact O-N 2.87Å; N273-R276 PolarHBondContact O-N 3.32Å; R276-F278 VanDerWaalsContact C-N 3.27Å; R276-F278 PolarHBondContact O-N 2.84Å; R276-I279 PolarHBondContact O-N 3.39Å; R276-D280 WeakPolarHBondContact CG-OD2 3.37Å; R276-D280 WeakPolarHBondContact O-CB 3.39Å; R276-D280 PolarHBondContact O-N 2.95Å
277	K	97.4	Very high	93.2	Very high	103 Å²	103	57.1 Å²	57.1	45%	0.448	31%	0.306	S	S	.	.	H	α-helix	trans	-57.2	-40.8	176.8	-70.7	176.4	-173.2	169.1	0	112.1	N273 S274 S281 E300	N273-K277 WeakPolarHBondContact ND2-CE 3.25Å; N273-K277 WeakPolarHBondContact O-CG 3.33Å; N273-K277 PolarHBondContact O-N 3.2Å; S274-K277 PolarHBondContact O-N 2.92Å; K277-S281 VanDerWaalsContact O-CB 3.29Å; K277-S281 WeakPolarHBondContact O-CB 3.23Å; K277-S281 PolarHBondContact O-N 3.01Å; K277-S281 PolarHBondContact O-OG 3.28Å; K277-E300 IonicContact NZ-OE2 2.79Å; K277-E300 PolarHBondContact NZ-OE2 3.09Å
278	F	98.6	Very high	93.6	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.013	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-54.8	176.7	-177.5	-87.1	0	0	0	111.1	V149 V153 L230 V234 S274 L275 R276 D280 S281 C282 L296 S299 F301 L302	V149-F278 HydrophobicContact CG1-CE1 3.64Å; V149-F278 HydrophobicContact CG1-CE2 4.26Å; V149-F278 HydrophobicContact CG1-CZ 3.41Å; V149-F278 VanDerWaalsContact CG1-CZ 3.41Å; V153-F278 HydrophobicContact CG2-CZ 4.42Å; L230-F278 HydrophobicContact CD2-CZ 4.28Å; V234-F278 HydrophobicContact CG2-CE1 4.2Å; S274-F278 WeakPolarHBondContact O-CB 3.41Å; S274-F278 PolarHBondContact O-N 3.04Å; L275-F278 WeakPolarHBondContact O-CB 3.41Å; L275-F278 PolarHBondContact O-N 3.41Å; R276-F278 VanDerWaalsContact C-N 3.27Å; R276-F278 PolarHBondContact O-N 2.84Å; F278-D280 PolarHBondContact O-N 3.28Å; F278-S281 PolarHBondContact O-N 3.1Å; F278-S281 PolarHBondContact O-OG 2.99Å; F278-C282 PolarHBondContact O-N 2.85Å; F278-C282 VanDerWaalsContact O-N 3.12Å; F278-C282 PolarHBondContact O-SG 3.02Å; F278-C282 VanDerWaalsContact O-SG 3.34Å; F278-L296 HydrophobicContact CD2-CD2 4.06Å; F278-L296 HydrophobicContact CE2-CB 4.1Å; F278-L296 HydrophobicContact CE2-CD2 3.48Å; F278-L296 VanDerWaalsContact CE2-CD2 3.48Å; F278-L296 HydrophobicContact CE2-CG 4.35Å; F278-L296 HydrophobicContact CZ-CD2 3.75Å; F278-S299 WeakPolarHBondContact CD2-OG 3.45Å; F278-F301 HydrophobicContact CB-CB 3.94Å; F278-F301 HydrophobicContact CB-CD1 4.14Å; F278-F301 HydrophobicContact CB-CG 4.25Å; F278-F301 HydrophobicContact CD1-CD1 4.24Å; F278-F301 HydrophobicContact CD2-CB 4.16Å; F278-F301 HydrophobicContact CD2-CD1 4.06Å; F278-F301 HydrophobicContact CG-CB 4.28Å; F278-F301 AromaticContact CG-CD1 3.88Å; F278-F301 HydrophobicContact CG-CD1 3.88Å; F278-F301 HydrophobicContact CG-CG 4.43Å; F278-L302 HydrophobicContact CD2-CG 4.4Å; F278-L302 HydrophobicContact CE2-CD1 3.6Å; F278-L302 HydrophobicContact CE2-CG 3.91Å; F278-L302 HydrophobicContact CZ-CD1 4.07Å
279	I	98.5	Very high	94.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.1	-46.4	179.3	-69.8	168.5	0	0	0	111	V234 L235 L265 L275 R276 S281 C282 L283	V234-I279 HydrophobicContact CB-CG1 4.26Å; V234-I279 HydrophobicContact CG1-CD1 4.05Å; V234-I279 HydrophobicContact CG1-CG1 4.01Å; L235-I279 HydrophobicContact CB-CD1 4.26Å; L235-I279 HydrophobicContact CB-CG2 4.19Å; L235-I279 HydrophobicContact CD1-CD1 4.34Å; L235-I279 HydrophobicContact CD2-CG2 4.38Å; L265-I279 HydrophobicContact CD1-CD1 3.65Å; L265-I279 HydrophobicContact CD2-CD1 4.2Å; L265-I279 HydrophobicContact CG-CD1 3.7Å; L275-I279 HydrophobicContact CD1-CD1 3.85Å; L275-I279 HydrophobicContact CD1-CG1 4.23Å; L275-I279 HydrophobicContact CG-CD1 4.01Å; L275-I279 WeakPolarHBondContact O-CG1 3.37Å; L275-I279 PolarHBondContact O-N 2.97Å; R276-I279 PolarHBondContact O-N 3.39Å; I279-S281 VanDerWaalsContact C-N 3.29Å; I279-S281 PolarHBondContact O-N 2.95Å; I279-C282 WeakPolarHBondContact O-CB 3.13Å; I279-C282 PolarHBondContact O-N 2.79Å; I279-C282 VanDerWaalsContact O-N 3.1Å; I279-L283 HydrophobicContact CG2-CD1 3.62Å; I279-L283 HydrophobicContact CG2-CG 4.25Å; I279-L283 WeakPolarHBondContact O-CG 3.48Å; I279-L283 PolarHBondContact O-N 2.68Å
280	D	98.2	Very high	95.4	Very high	46 Å²	46	49.4 Å²	49.4	25%	0.246	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-40.4	-179.4	-68.9	-17.1	0	0	0	111.1	R276 F278 C282 L283 M284	R276-D280 WeakPolarHBondContact CG-OD2 3.37Å; R276-D280 WeakPolarHBondContact O-CB 3.39Å; R276-D280 PolarHBondContact O-N 2.95Å; F278-D280 PolarHBondContact O-N 3.28Å; D280-C282 VanDerWaalsContact C-N 3.34Å; D280-C282 PolarHBondContact O-N 3.37Å; D280-L283 PolarHBondContact O-N 2.8Å; D280-M284 PolarHBondContact O-N 2.74Å
281	S	98.4	Very high	96	Very high	37 Å²	37	45.5 Å²	45.5	26%	0.259	23%	0.231	S	C	.	.	H	α-helix	trans	-64.8	-35.8	175.9	76.8	0	0	0	0	112.9	K277 F278 I279 M284 P291	K277-S281 VanDerWaalsContact O-CB 3.29Å; K277-S281 WeakPolarHBondContact O-CB 3.23Å; K277-S281 PolarHBondContact O-N 3.01Å; K277-S281 PolarHBondContact O-OG 3.28Å; F278-S281 PolarHBondContact O-N 3.1Å; F278-S281 PolarHBondContact O-OG 2.99Å; I279-S281 VanDerWaalsContact C-N 3.29Å; I279-S281 PolarHBondContact O-N 2.95Å; S281-M284 WeakPolarHBondContact O-CG 3.39Å; S281-P291 WeakPolarHBondContact O-CD 3.31Å
282	C	98.5	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.4	-35	175.7	-69	0	0	0	0	112.3	V227 F278 I279 D280 M284 R290 L296	V227-C282 HydrophobicContact CG1-CB 4Å; V227-C282 WeakPolarHBondContact O-CB 3.15Å; F278-C282 PolarHBondContact O-N 2.85Å; F278-C282 VanDerWaalsContact O-N 3.12Å; F278-C282 PolarHBondContact O-SG 3.02Å; F278-C282 VanDerWaalsContact O-SG 3.34Å; I279-C282 WeakPolarHBondContact O-CB 3.13Å; I279-C282 PolarHBondContact O-N 2.79Å; I279-C282 VanDerWaalsContact O-N 3.1Å; D280-C282 VanDerWaalsContact C-N 3.34Å; D280-C282 PolarHBondContact O-N 3.37Å; C282-M284 VanDerWaalsContact C-N 3.34Å; C282-M284 PolarHBondContact O-N 3.14Å; C282-R290 VanDerWaalsContact O-CD 3.26Å; C282-R290 WeakPolarHBondContact O-CD 3.38Å; C282-L296 VanDerWaalsContact SG-CD2 3.58Å
283	L	97.8	Very high	96.4	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	24.9	-173.5	-61.7	-178.3	0	0	0	113.6	W228 L232 L235 S262 P263 I279 D280 K285	W228-L283 HydrophobicContact CD2-CD2 4.03Å; W228-L283 HydrophobicContact CE3-CD2 4.13Å; W228-L283 HydrophobicContact CG-CD2 4.46Å; W228-L283 HydrophobicContact CZ3-CB 4.4Å; W228-L283 HydrophobicContact CZ3-CD2 4.43Å; W228-L283 WeakPolarHBondContact CZ3-O 3.44Å; L232-L283 HydrophobicContact CD2-CD1 4.2Å; L232-L283 HydrophobicContact CD2-CD2 3.7Å; L232-L283 HydrophobicContact CG-CD2 3.77Å; L235-L283 HydrophobicContact CD2-CD1 4.07Å; S262-L283 WeakPolarHBondContact CB-O 3.28Å; S262-L283 PolarHBondContact OG-O 2.99Å; P263-L283 HydrophobicContact CB-CD1 4.32Å; P263-L283 WeakPolarHBondContact O-CD1 3.29Å; I279-L283 HydrophobicContact CG2-CD1 3.62Å; I279-L283 HydrophobicContact CG2-CG 4.25Å; I279-L283 WeakPolarHBondContact O-CG 3.48Å; I279-L283 PolarHBondContact O-N 2.68Å; D280-L283 PolarHBondContact O-N 2.8Å; L283-K285 PolarHBondContact O-N 2.79Å
284	M	97	Very high	96.5	Very high	79 Å²	79	42.5 Å²	42.5	39%	0.389	22%	0.218	S	C	.	.			trans	-66.1	131.2	169.8	-63.1	-63.8	-76.1	0	0	110.4	D280 S281 C282 D289 R290	D280-M284 PolarHBondContact O-N 2.74Å; S281-M284 WeakPolarHBondContact O-CG 3.39Å; C282-M284 VanDerWaalsContact C-N 3.34Å; C282-M284 PolarHBondContact O-N 3.14Å; M284-D289 HydrophobicContact CB-CB 4.07Å; M284-D289 HydrophobicContact CE-CB 3.92Å; M284-D289 HydrophobicContact CG-CB 4.29Å; M284-R290 HydrophobicContact CB-CG 3.86Å; M284-R290 PolarHBondContact O-NE 2.82Å; M284-R290 PolarHBondContact O-NH2 3.1Å; M284-R290 VanDerWaalsContact O-NH2 3.1Å
285	K	92.6	Very high	96.6	Very high	66 Å²	66	45.9 Å²	45.9	29%	0.287	23%	0.232	S	C	.	.	S	Bend	trans	-63.2	-46.4	-178.5	-67.7	-64.3	-170.4	-177.8	0	111.7	P210 W228 V257 E260 S262 L283 K287 R290	P210-K285 HydrophobicContact CG-CD 4.09Å; W228-K285 HydrophobicContact CH2-CD 3.97Å; W228-K285 HydrophobicContact CZ3-CD 4.11Å; V257-K285 PolarHBondContact O-NZ 2.04Å; E260-K285 WeakPolarHBondContact O-CE 3.44Å; E260-K285 PolarHBondContact O-NZ 3.27Å; S262-K285 WeakPolarHBondContact OG-CD 3.45Å; S262-K285 WeakPolarHBondContact OG-CE 3.49Å; L283-K285 PolarHBondContact O-N 2.79Å; K285-K287 PolarHBondContact O-N 3.05Å; K285-R290 PolarHBondContact O-NH2 3.47Å; K285-R290 VanDerWaalsContact O-NH2 3.13Å
286	N	92.4	Very high	96.7	Very high	76 Å²	76	45.9 Å²	45.9	41%	0.406	23%	0.231	S	C	.	.	S	Bend	trans	-72.8	121.8	171.5	178.6	14.3	0	0	0	109.5	D288 D289	N286-D288 PolarHBondContact O-N 3.2Å; N286-D288 PolarHBondContact OD1-N 3.5Å; N286-D289 HydrophobicContact CB-CB 4.48Å; N286-D289 VanDerWaalsContact CB-OD2 3.23Å; N286-D289 WeakPolarHBondContact CB-OD2 3.38Å; N286-D289 PolarHBondContact ND2-OD2 3.49Å; N286-D289 PolarHBondContact O-N 2.81Å
287	K	92.4	Very high	96.7	Very high	61 Å²	61	45.8 Å²	45.8	27%	0.265	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-63.2	-28.7	-177	71.2	-178.8	-172.7	174.3	0	113	E211 R224 K285 D289 R290	E211-K287 HydrophobicContact CB-CD 4.33Å; E211-K287 HydrophobicContact CG-CB 4.42Å; E211-K287 HydrophobicContact CG-CD 4Å; R224-K287 HydrophobicContact CB-CB 4.11Å; R224-K287 WeakPolarHBondContact CB-O 3.34Å; R224-K287 WeakPolarHBondContact CG-O 3.36Å; R224-K287 PolarHBondContact NH1-O 3.19Å; K285-K287 PolarHBondContact O-N 3.05Å; K287-D289 VanDerWaalsContact C-N 3.28Å; K287-D289 PolarHBondContact O-N 3.23Å; K287-R290 WeakPolarHBondContact O-CB 3.46Å; K287-R290 PolarHBondContact O-N 3.3Å
288	D	92.6	Very high	96.8	Very high	107 Å²	107	47.3 Å²	47.3	57%	0.572	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-75.7	-22.3	-176.2	-62	-35.4	0	0	0	111.8	R224 N286	R224-D288 VanDerWaalsContact NH1-C 3.26Å; R224-D288 PolarHBondContact NH1-O 2.84Å; N286-D288 PolarHBondContact O-N 3.2Å; N286-D288 PolarHBondContact OD1-N 3.5Å
289	D	96.5	Very high	96.7	Very high	98 Å²	98	48.3 Å²	48.3	52%	0.524	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-82.7	-12.5	175.7	-62.1	-34.6	0	0	0	113.3	M284 N286 K287	M284-D289 HydrophobicContact CB-CB 4.07Å; M284-D289 HydrophobicContact CE-CB 3.92Å; M284-D289 HydrophobicContact CG-CB 4.29Å; N286-D289 HydrophobicContact CB-CB 4.48Å; N286-D289 VanDerWaalsContact CB-OD2 3.23Å; N286-D289 WeakPolarHBondContact CB-OD2 3.38Å; N286-D289 PolarHBondContact ND2-OD2 3.49Å; N286-D289 PolarHBondContact O-N 2.81Å; K287-D289 VanDerWaalsContact C-N 3.28Å; K287-D289 PolarHBondContact O-N 3.23Å
290	R	97.3	Very high	96.7	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.011	28%	0.275	C	S	.	.	S	Bend	trans	-71.2	152.8	174.3	-61.7	177.1	-160.2	143.5	12.7	110	E211 R224 V227 C282 M284 K285 K287	E211-R290 IonicContact OE1-CZ 2.66Å; E211-R290 IonicContact OE1-NH1 3.03Å; E211-R290 PolarHBondContact OE1-NH1 3.45Å; E211-R290 IonicContact OE1-NH2 2.82Å; E211-R290 IonicContact OE2-CZ 3.44Å; E211-R290 IonicContact OE2-NH1 2.71Å; E211-R290 PolarHBondContact OE2-NH1 3.21Å; E211-R290 IonicContact OE2-NH2 2.9Å; E211-R290 PolarHBondContact OE2-NH2 3.22Å; R224-R290 PolarHBondContact NE-O 3.45Å; R224-R290 PolarHBondContact NH1-O 2.91Å; R224-R290 PolarHBondContact NH2-O 2.98Å; R224-R290 VanDerWaalsContact NH2-O 3.08Å; R224-R290 WeakPolarHBondContact O-CD 3.47Å; R224-R290 PolarHBondContact O-NH1 3.05Å; V227-R290 HydrophobicContact CG1-CB 4.1Å; C282-R290 VanDerWaalsContact O-CD 3.26Å; C282-R290 WeakPolarHBondContact O-CD 3.38Å; M284-R290 HydrophobicContact CB-CG 3.86Å; M284-R290 PolarHBondContact O-NE 2.82Å; M284-R290 PolarHBondContact O-NH2 3.1Å; M284-R290 VanDerWaalsContact O-NH2 3.1Å; K285-R290 PolarHBondContact O-NH2 3.47Å; K285-R290 VanDerWaalsContact O-NH2 3.13Å; K287-R290 WeakPolarHBondContact O-CB 3.46Å; K287-R290 PolarHBondContact O-N 3.3Å
291	P	97.2	Very high	96.7	Very high	16 Å²	16	51.9 Å²	51.9	10%	0.104	27%	0.265	C	S	.	.			trans	-70.6	158.1	170.6	29.3	-35.6	0	0	0	111.8	R224 V227 S281 Q295 L296	R224-P291 WeakPolarHBondContact CD-O 3.24Å; R224-P291 PolarHBondContact NE-O 3.49Å; V227-P291 HydrophobicContact CG1-CG 4.36Å; S281-P291 WeakPolarHBondContact O-CD 3.31Å; P291-Q295 HydrophobicContact CB-CB 3.67Å; P291-L296 HydrophobicContact CB-CD2 4.15Å; P291-L296 HydrophobicContact CB-CG 4.06Å; P291-L296 HydrophobicContact CG-CD1 4.45Å; P291-L296 HydrophobicContact CG-CD2 3.31Å; P291-L296 HydrophobicContact CG-CG 3.66Å
292	N	95.6	Very high	96.7	Very high	54 Å²	54	50.2 Å²	50.2	29%	0.289	25%	0.254	S	S	.	.			trans	-81.8	176.2	159.4	68.9	22	0	0	0	110.6	I223 V294 Q295 L296	I223-N292 HydrophobicContact CD1-CB 4.28Å; N292-V294 PolarHBondContact O-N 2.87Å; N292-V294 PolarHBondContact OD1-N 2.79Å; N292-Q295 PolarHBondContact O-N 3.42Å; N292-Q295 WeakPolarHBondContact OD1-CB 3.46Å; N292-Q295 VanDerWaalsContact OD1-CG 3.26Å; N292-Q295 WeakPolarHBondContact OD1-CG 3.26Å; N292-Q295 PolarHBondContact OD1-N 2.8Å; N292-Q295 PolarHBondContact OD1-OE1 3.01Å; N292-L296 WeakPolarHBondContact O-CG 3.3Å; N292-L296 PolarHBondContact O-N 2.82Å
293	Y	97.5	Very high	96.6	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-65.6	-36.8	-176	-54.1	-55.6	0	0	0	113.5	V153 L156 E157 H160 I223 D226 V227 Q295 L296 L297	V153-Y293 HydrophobicContact CG1-CD1 4.48Å; L156-Y293 HydrophobicContact CB-CD1 3.97Å; L156-Y293 HydrophobicContact CB-CD2 4.37Å; L156-Y293 HydrophobicContact CB-CE1 3.62Å; L156-Y293 HydrophobicContact CB-CE2 4.03Å; L156-Y293 HydrophobicContact CB-CG 4.33Å; L156-Y293 HydrophobicContact CD1-CD1 4.45Å; L156-Y293 HydrophobicContact CD1-CE1 3.78Å; L156-Y293 HydrophobicContact CG-CE1 4.29Å; E157-Y293 HydrophobicContact CB-CD2 4.4Å; E157-Y293 HydrophobicContact CB-CG 4.39Å; E157-Y293 WeakPolarHBondContact OE2-CB 3.07Å; H160-Y293 HydrophobicContact CB-CD2 4.01Å; H160-Y293 HydrophobicContact CB-CE2 3.92Å; I223-Y293 HydrophobicContact CB-CE2 3.9Å; I223-Y293 HydrophobicContact CG2-CE2 4.04Å; I223-Y293 PolarHBondContact O-OH 2.87Å; D226-Y293 WeakPolarHBondContact CB-OH 3.33Å; D226-Y293 PolarHBondContact OD2-OH 2.88Å; V227-Y293 HydrophobicContact CG2-CD1 4.05Å; V227-Y293 HydrophobicContact CG2-CE1 3.69Å; Y293-Q295 VanDerWaalsContact C-N 3.35Å; Y293-Q295 PolarHBondContact O-N 2.9Å; Y293-L296 HydrophobicContact CD1-CD1 4.17Å; Y293-L296 WeakPolarHBondContact O-CB 2.87Å; Y293-L296 PolarHBondContact O-N 2.86Å; Y293-L296 VanDerWaalsContact O-N 3.16Å; Y293-L297 WeakPolarHBondContact O-CG 3.47Å; Y293-L297 PolarHBondContact O-N 2.93Å
294	V	97.2	Very high	96.4	Very high	63 Å²	63	59.3 Å²	59.3	38%	0.382	31%	0.313	S	S	.	.	H	α-helix	trans	-58.7	-47.4	174.2	179.8	0	0	0	0	110.8	N292 L296 L297 E298	N292-V294 PolarHBondContact O-N 2.87Å; N292-V294 PolarHBondContact OD1-N 2.79Å; V294-L296 VanDerWaalsContact C-N 3.3Å; V294-L296 PolarHBondContact O-N 2.9Å; V294-L297 WeakPolarHBondContact O-CB 3.2Å; V294-L297 PolarHBondContact O-N 2.82Å; V294-E298 WeakPolarHBondContact O-CG 3.27Å; V294-E298 PolarHBondContact O-N 2.92Å
295	Q	98.2	Very high	96.4	Very high	93 Å²	93	57.1 Å²	57.1	44%	0.435	30%	0.304	S	S	.	.	H	α-helix	trans	-64.1	-33.2	176.5	-70.2	172.5	-49.3	0	0	112.8	P291 N292 Y293 E298 S299	P291-Q295 HydrophobicContact CB-CB 3.67Å; N292-Q295 PolarHBondContact O-N 3.42Å; N292-Q295 WeakPolarHBondContact OD1-CB 3.46Å; N292-Q295 VanDerWaalsContact OD1-CG 3.26Å; N292-Q295 WeakPolarHBondContact OD1-CG 3.26Å; N292-Q295 PolarHBondContact OD1-N 2.8Å; N292-Q295 PolarHBondContact OD1-OE1 3.01Å; Y293-Q295 VanDerWaalsContact C-N 3.35Å; Y293-Q295 PolarHBondContact O-N 2.9Å; Q295-E298 PolarHBondContact O-N 2.81Å; Q295-S299 PolarHBondContact O-N 2.83Å
296	L	98.6	Very high	96.6	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-43.7	173.1	-73.1	171.8	0	0	0	111.4	V153 V227 L230 F278 C282 P291 N292 Y293 V294 E298 S299 L302	V153-L296 HydrophobicContact CG1-CB 3.95Å; V153-L296 HydrophobicContact CG2-CB 4.44Å; V153-L296 HydrophobicContact CG2-CD1 4.44Å; V227-L296 HydrophobicContact CG1-CD1 4.1Å; V227-L296 HydrophobicContact CG2-CD1 3.88Å; L230-L296 HydrophobicContact CD2-CD1 4.01Å; F278-L296 HydrophobicContact CD2-CD2 4.06Å; F278-L296 HydrophobicContact CE2-CB 4.1Å; F278-L296 HydrophobicContact CE2-CD2 3.48Å; F278-L296 VanDerWaalsContact CE2-CD2 3.48Å; F278-L296 HydrophobicContact CE2-CG 4.35Å; F278-L296 HydrophobicContact CZ-CD2 3.75Å; C282-L296 VanDerWaalsContact SG-CD2 3.58Å; P291-L296 HydrophobicContact CB-CD2 4.15Å; P291-L296 HydrophobicContact CB-CG 4.06Å; P291-L296 HydrophobicContact CG-CD1 4.45Å; P291-L296 HydrophobicContact CG-CD2 3.31Å; P291-L296 HydrophobicContact CG-CG 3.66Å; N292-L296 WeakPolarHBondContact O-CG 3.3Å; N292-L296 PolarHBondContact O-N 2.82Å; Y293-L296 HydrophobicContact CD1-CD1 4.17Å; Y293-L296 WeakPolarHBondContact O-CB 2.87Å; Y293-L296 PolarHBondContact O-N 2.86Å; Y293-L296 VanDerWaalsContact O-N 3.16Å; V294-L296 VanDerWaalsContact C-N 3.3Å; V294-L296 PolarHBondContact O-N 2.9Å; L296-E298 PolarHBondContact O-N 2.8Å; L296-S299 WeakPolarHBondContact O-CB 3.46Å; L296-S299 PolarHBondContact O-N 2.94Å; L296-S299 VanDerWaalsContact O-N 3.13Å; L296-S299 PolarHBondContact O-OG 3.12Å; L296-L302 WeakPolarHBondContact O-CD1 3.38Å
297	L	98.4	Very high	96.7	Very high	47 Å²	47	56.1 Å²	56.1	25%	0.246	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-33	176.1	-67.2	169.6	0	0	0	112	L150 V153 E154 Y293 V294 S299	L150-L297 HydrophobicContact CD1-CD2 3.72Å; V153-L297 HydrophobicContact CB-CD2 3.98Å; V153-L297 HydrophobicContact CG1-CD1 4.38Å; V153-L297 HydrophobicContact CG1-CD2 3.64Å; V153-L297 HydrophobicContact CG1-CG 3.63Å; E154-L297 HydrophobicContact CG-CD2 4.19Å; Y293-L297 WeakPolarHBondContact O-CG 3.47Å; Y293-L297 PolarHBondContact O-N 2.93Å; V294-L297 WeakPolarHBondContact O-CB 3.2Å; V294-L297 PolarHBondContact O-N 2.82Å; L297-S299 VanDerWaalsContact C-N 3.3Å
298	E	98.1	Very high	96.9	Very high	135 Å²	135	61.5 Å²	61.5	63%	0.631	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-4.3	176.7	-68.7	174.3	168.5	0	0	114	V294 Q295 L296	V294-E298 WeakPolarHBondContact O-CG 3.27Å; V294-E298 PolarHBondContact O-N 2.92Å; Q295-E298 PolarHBondContact O-N 2.81Å; L296-E298 PolarHBondContact O-N 2.8Å
299	S	98.5	Very high	97.2	Very high	24 Å²	24	59.9 Å²	59.9	17%	0.168	33%	0.325	C	S	.	.	S	Bend	trans	-65.9	151.9	-178.9	71.7	0	0	0	0	112.6	F278 Q295 L296 L297 F301 L302 S303	F278-S299 WeakPolarHBondContact CD2-OG 3.45Å; Q295-S299 PolarHBondContact O-N 2.83Å; L296-S299 WeakPolarHBondContact O-CB 3.46Å; L296-S299 PolarHBondContact O-N 2.94Å; L296-S299 VanDerWaalsContact O-N 3.13Å; L296-S299 PolarHBondContact O-OG 3.12Å; L297-S299 VanDerWaalsContact C-N 3.3Å; S299-F301 PolarHBondContact O-N 2.91Å; S299-L302 PolarHBondContact O-N 2.86Å; S299-S303 VanDerWaalsContact O-CB 3.29Å; S299-S303 WeakPolarHBondContact O-CB 3.35Å; S299-S303 PolarHBondContact O-N 3.43Å; S299-S303 PolarHBondContact O-OG 2.72Å
300	E	98.1	Very high	97.3	Very high	113 Å²	113	55.5 Å²	55.5	53%	0.528	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-27.4	175.4	-171.1	-173.6	166.2	0	0	113.1	K277	K277-E300 IonicContact NZ-OE2 2.79Å; K277-E300 PolarHBondContact NZ-OE2 3.09Å
301	F	98.2	Very high	97.3	Very high	8 Å²	8	57.8 Å²	57.8	4%	0.035	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-32.1	-179.9	-174.8	-121.1	0	0	0	113.5	T142 L145 A146 V149 L275 F278 S299	T142-F301 HydrophobicContact CG2-CE2 4.17Å; L145-F301 HydrophobicContact CG-CZ 4.42Å; A146-F301 HydrophobicContact CB-CE1 4.12Å; A146-F301 HydrophobicContact CB-CE2 3.89Å; A146-F301 HydrophobicContact CB-CZ 3.61Å; V149-F301 HydrophobicContact CB-CE1 4.29Å; V149-F301 HydrophobicContact CG1-CE1 4.49Å; V149-F301 HydrophobicContact CG2-CE1 4.31Å; L275-F301 HydrophobicContact CB-CD2 3.89Å; L275-F301 HydrophobicContact CB-CE2 3.78Å; L275-F301 HydrophobicContact CB-CZ 4.31Å; L275-F301 HydrophobicContact CD1-CD1 4.24Å; L275-F301 HydrophobicContact CD1-CD2 4.42Å; L275-F301 HydrophobicContact CD1-CE1 3.69Å; L275-F301 HydrophobicContact CD1-CE2 3.9Å; L275-F301 HydrophobicContact CD1-CZ 3.52Å; L275-F301 HydrophobicContact CG-CE2 4.33Å; L275-F301 HydrophobicContact CG-CZ 4.4Å; F278-F301 HydrophobicContact CB-CB 3.94Å; F278-F301 HydrophobicContact CB-CD1 4.14Å; F278-F301 HydrophobicContact CB-CG 4.25Å; F278-F301 HydrophobicContact CD1-CD1 4.24Å; F278-F301 HydrophobicContact CD2-CB 4.16Å; F278-F301 HydrophobicContact CD2-CD1 4.06Å; F278-F301 HydrophobicContact CG-CB 4.28Å; F278-F301 AromaticContact CG-CD1 3.88Å; F278-F301 HydrophobicContact CG-CD1 3.88Å; F278-F301 HydrophobicContact CG-CG 4.43Å; S299-F301 PolarHBondContact O-N 2.91Å
302	L	98.5	Very high	97.4	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.016	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-28.3	-173.6	-59.7	-171.8	0	0	0	113.7	V149 L150 V153 F278 L296 S299 T304 V305	V149-L302 HydrophobicContact CB-CD2 4.07Å; V149-L302 HydrophobicContact CG1-CD1 4.04Å; V149-L302 HydrophobicContact CG1-CD2 3.92Å; L150-L302 HydrophobicContact CB-CD2 4.37Å; V153-L302 HydrophobicContact CB-CD1 4.45Å; V153-L302 HydrophobicContact CG2-CD1 4.07Å; F278-L302 HydrophobicContact CD2-CG 4.4Å; F278-L302 HydrophobicContact CE2-CD1 3.6Å; F278-L302 HydrophobicContact CE2-CG 3.91Å; F278-L302 HydrophobicContact CZ-CD1 4.07Å; L296-L302 WeakPolarHBondContact O-CD1 3.38Å; S299-L302 PolarHBondContact O-N 2.86Å; L302-T304 PolarHBondContact O-N 3.03Å; L302-V305 WeakPolarHBondContact O-CB 3.5Å; L302-V305 WeakPolarHBondContact O-CG2 3.19Å; L302-V305 PolarHBondContact O-N 2.85Å
303	S	96.5	Very high	97.5	Very high	74 Å²	74	60.2 Å²	60.2	52%	0.517	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-19	-169.8	68.8	0	0	0	0	114.4	S299	S299-S303 VanDerWaalsContact O-CB 3.29Å; S299-S303 WeakPolarHBondContact O-CB 3.35Å; S299-S303 PolarHBondContact O-N 3.43Å; S299-S303 PolarHBondContact O-OG 2.72Å
304	T	92.8	Very high	97.5	Very high	120 Å²	120	60 Å²	60	74%	0.736	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	3	179.6	63.1	0	0	0	0	113.5	L302 D306	L302-T304 PolarHBondContact O-N 3.03Å; T304-D306 PolarHBondContact O-N 2.79Å
305	V	96.4	Very high	97.5	Very high	34 Å²	34	61.2 Å²	61.2	21%	0.206	32%	0.324	C	S	.	.			trans	-78.5	116.2	-178.1	179.9	0	0	0	0	109.4	A146 L150 L302	A146-V305 HydrophobicContact CB-CG2 3.64Å; L150-V305 HydrophobicContact CB-CG1 4.49Å; L150-V305 HydrophobicContact CD2-CB 4.03Å; L150-V305 HydrophobicContact CD2-CG1 3.66Å; L302-V305 WeakPolarHBondContact O-CB 3.5Å; L302-V305 WeakPolarHBondContact O-CG2 3.19Å; L302-V305 PolarHBondContact O-N 2.85Å
306	D	96.8	Very high	97.5	Very high	94 Å²	94	61.3 Å²	61.3	50%	0.503	33%	0.326	S	S	.	.			trans	-79.7	117.5	167.2	176.5	65.1	0	0	0	109.8	T304 K308 S309 G310	T304-D306 PolarHBondContact O-N 2.79Å; D306-K308 VanDerWaalsContact C-N 3.26Å; D306-K308 PolarHBondContact O-N 2.7Å; D306-K308 PolarHBondContact OD2-N 3.22Å; D306-S309 PolarHBondContact O-N 2.99Å; D306-S309 WeakPolarHBondContact OD2-CB 3.44Å; D306-S309 PolarHBondContact OD2-N 3.17Å; D306-G310 PolarHBondContact O-N 3.46Å
307	A	95.7	Very high	97.4	Very high	27 Å²	27	62.2 Å²	62.2	22%	0.223	33%	0.33	C	S	.	.	H	α-helix	trans	-61.5	-31.8	-174.7	0	0	0	0	0	113.2	Y147 L150 Q311	Y147-A307 VanDerWaalsContact CE2-O 3.24Å; Y147-A307 WeakPolarHBondContact CE2-O 3.32Å; L150-A307 HydrophobicContact CD2-CB 4.23Å; A307-Q311 WeakPolarHBondContact O-CB 3.48Å; A307-Q311 PolarHBondContact O-N 2.84Å
308	K	97	Very high	97.4	Very high	174 Å²	174	60 Å²	60	76%	0.757	32%	0.318	S	S	*	.	H	α-helix	trans	-73.6	-48.9	179.7	-68.5	-177.6	-179.2	177.3	0	111.3	D306 G310 Q311 E312	D306-K308 VanDerWaalsContact C-N 3.26Å; D306-K308 PolarHBondContact O-N 2.7Å; D306-K308 PolarHBondContact OD2-N 3.22Å; K308-G310 VanDerWaalsContact C-N 3.35Å; K308-Q311 PolarHBondContact O-N 2.97Å; K308-E312 PolarHBondContact O-N 2.82Å
309	S	97.7	Very high	97.2	Very high	72 Å²	72	55.7 Å²	55.7	50%	0.503	31%	0.306	S	S	.	.	H	α-helix	trans	-63.3	-41.9	175.8	-171.9	0	0	0	0	111.5	D306 E312 S313	D306-S309 PolarHBondContact O-N 2.99Å; D306-S309 WeakPolarHBondContact OD2-CB 3.44Å; D306-S309 PolarHBondContact OD2-N 3.17Å; S309-E312 PolarHBondContact O-N 2.83Å; S309-S313 PolarHBondContact O-N 3.37Å; S309-S313 PolarHBondContact O-OG 3.31Å
310	G	98.1	Very high	96.9	Very high	7 Å²	7	59.2 Å²	59.2	7%	0.072	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-41.7	176.4	0	0	0	0	0	112.6	Y147 D306 K308 E312 S313 F314	Y147-G310 VanDerWaalsContact CD2-C 3.41Å; D306-G310 PolarHBondContact O-N 3.46Å; K308-G310 VanDerWaalsContact C-N 3.35Å; G310-E312 VanDerWaalsContact C-N 3.34Å; G310-E312 PolarHBondContact O-N 2.85Å; G310-S313 PolarHBondContact O-N 2.78Å; G310-F314 WeakPolarHBondContact O-CB 3.47Å; G310-F314 PolarHBondContact O-N 3.43Å
311	Q	98.4	Very high	96.7	Very high	51 Å²	51	54.1 Å²	54.1	24%	0.238	30%	0.299	C	S	.	.	H	α-helix	trans	-60.9	-44.1	174.1	-177.6	169.9	-14	0	0	111.5	Y147 H179 A307 K308 F314 R315	Y147-Q311 HydrophobicContact CE1-CB 4.3Å; Y147-Q311 HydrophobicContact CE2-CB 3.71Å; Y147-Q311 VanDerWaalsContact CZ-CA 3.45Å; Y147-Q311 WeakPolarHBondContact OH-CB 3.44Å; Y147-Q311 WeakPolarHBondContact OH-CG 3.4Å; H179-Q311 PolarHBondContact O-NE2 2.99Å; A307-Q311 WeakPolarHBondContact O-CB 3.48Å; A307-Q311 PolarHBondContact O-N 2.84Å; K308-Q311 PolarHBondContact O-N 2.97Å; Q311-F314 PolarHBondContact O-N 3.03Å; Q311-R315 WeakPolarHBondContact O-CB 3.18Å; Q311-R315 PolarHBondContact O-N 2.87Å
312	E	98.3	Very high	96.2	Very high	86 Å²	86	54.2 Å²	54.2	40%	0.402	30%	0.3	S	S	.	.	H	α-helix	trans	-67.5	-44	179.1	-178.3	59.7	-170	0	0	112.1	K308 S309 G310 F314 R315 I316	K308-E312 PolarHBondContact O-N 2.82Å; S309-E312 PolarHBondContact O-N 2.83Å; G310-E312 VanDerWaalsContact C-N 3.34Å; G310-E312 PolarHBondContact O-N 2.85Å; E312-F314 VanDerWaalsContact C-N 3.3Å; E312-F314 PolarHBondContact O-N 3.42Å; E312-R315 WeakPolarHBondContact O-CB 3.46Å; E312-R315 PolarHBondContact O-N 3.03Å; E312-R315 IonicContact OE1-CZ 2.78Å; E312-R315 IonicContact OE1-NE 2.82Å; E312-R315 PolarHBondContact OE1-NE 2.91Å; E312-R315 IonicContact OE1-NH2 2.82Å; E312-R315 PolarHBondContact OE1-NH2 2.79Å; E312-R315 IonicContact OE2-CZ 3.78Å; E312-R315 IonicContact OE2-NE 3.98Å; E312-R315 PolarHBondContact OE2-NE 2.88Å; E312-R315 IonicContact OE2-NH2 3.73Å; E312-I316 HydrophobicContact CG-CD1 4.17Å; E312-I316 WeakPolarHBondContact O-CG1 3.43Å; E312-I316 PolarHBondContact O-N 3.29Å
313	S	98.2	Very high	95.3	Very high	34 Å²	34	57.7 Å²	57.7	24%	0.238	32%	0.318	C	S	.	.	H	α-helix	trans	-55.4	-46.6	171.7	-80.4	0	0	0	0	111.4	D143 S309 G310 I316 F317	D143-S313 VanDerWaalsContact OD2-CB 3.26Å; D143-S313 WeakPolarHBondContact OD2-CB 3.49Å; D143-S313 PolarHBondContact OD2-OG 2.92Å; S309-S313 PolarHBondContact O-N 3.37Å; S309-S313 PolarHBondContact O-OG 3.31Å; G310-S313 PolarHBondContact O-N 2.78Å; S313-I316 PolarHBondContact O-N 3.27Å; S313-F317 WeakPolarHBondContact O-CB 3.45Å; S313-F317 PolarHBondContact O-N 3.06Å
314	F	98.5	Very high	94	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-68.2	-38.5	179.6	-177.4	-132.4	0	0	0	112.1	L126 L129 V144 Y147 I148 A176 G180 V182 G310 Q311 E312 I316 F317 L318	L126-F314 HydrophobicContact CD2-CZ 4.2Å; L129-F314 HydrophobicContact CD2-CE2 3.75Å; L129-F314 HydrophobicContact CD2-CZ 3.83Å; V144-F314 HydrophobicContact CG1-CB 4.32Å; V144-F314 HydrophobicContact CG1-CD2 3.42Å; V144-F314 VanDerWaalsContact CG1-CD2 3.42Å; V144-F314 HydrophobicContact CG1-CE2 4.12Å; V144-F314 HydrophobicContact CG1-CG 4.22Å; Y147-F314 HydrophobicContact CD1-CB 3.73Å; Y147-F314 HydrophobicContact CD1-CD1 4.11Å; Y147-F314 HydrophobicContact CD1-CG 4.18Å; Y147-F314 HydrophobicContact CE1-CB 4.08Å; Y147-F314 AromaticContact CE1-CD1 3.91Å; Y147-F314 HydrophobicContact CE1-CD1 3.91Å; Y147-F314 HydrophobicContact CE1-CG 4.38Å; I148-F314 HydrophobicContact CD1-CD2 4.2Å; I148-F314 HydrophobicContact CD1-CE2 3.82Å; I148-F314 HydrophobicContact CD1-CZ 4.16Å; I148-F314 HydrophobicContact CG1-CD2 4.42Å; I148-F314 HydrophobicContact CG1-CE1 4.47Å; I148-F314 HydrophobicContact CG1-CE2 4.26Å; I148-F314 HydrophobicContact CG1-CZ 4.28Å; A176-F314 HydrophobicContact CB-CE1 3.66Å; A176-F314 HydrophobicContact CB-CZ 3.78Å; G180-F314 WeakPolarHBondContact O-CD1 3.43Å; V182-F314 HydrophobicContact CG2-CD1 3.65Å; V182-F314 HydrophobicContact CG2-CE1 3.32Å; V182-F314 HydrophobicContact CG2-CZ 4.2Å; G310-F314 WeakPolarHBondContact O-CB 3.47Å; G310-F314 PolarHBondContact O-N 3.43Å; Q311-F314 PolarHBondContact O-N 3.03Å; E312-F314 VanDerWaalsContact C-N 3.3Å; E312-F314 PolarHBondContact O-N 3.42Å; F314-I316 VanDerWaalsContact C-N 3.35Å; F314-I316 PolarHBondContact O-N 2.96Å; F314-F317 HydrophobicContact CD2-CD1 4.03Å; F314-F317 HydrophobicContact CE2-CD1 4.11Å; F314-F317 PolarHBondContact O-N 3.14Å; F314-L318 HydrophobicContact CD2-CB 4.48Å; F314-L318 HydrophobicContact CE1-CD2 4.33Å; F314-L318 HydrophobicContact CE2-CB 4.3Å; F314-L318 HydrophobicContact CZ-CD1 4.41Å; F314-L318 HydrophobicContact CZ-CD2 4.32Å; F314-L318 WeakPolarHBondContact O-CB 3.44Å; F314-L318 PolarHBondContact O-N 3.21Å
315	R	97.5	Very high	92.7	Very high	89 Å²	89	60.9 Å²	60.9	34%	0.336	33%	0.325	S	S	.	.	H	α-helix	trans	-57.5	-47.6	174.3	-169.4	-167.4	67.3	71.7	1.4	111.4	C178 Q311 E312 L318 A319	C178-R315 WeakPolarHBondContact O-CG 3.39Å; Q311-R315 WeakPolarHBondContact O-CB 3.18Å; Q311-R315 PolarHBondContact O-N 2.87Å; E312-R315 WeakPolarHBondContact O-CB 3.46Å; E312-R315 PolarHBondContact O-N 3.03Å; E312-R315 IonicContact OE1-CZ 2.78Å; E312-R315 IonicContact OE1-NE 2.82Å; E312-R315 PolarHBondContact OE1-NE 2.91Å; E312-R315 IonicContact OE1-NH2 2.82Å; E312-R315 PolarHBondContact OE1-NH2 2.79Å; E312-R315 IonicContact OE2-CZ 3.78Å; E312-R315 IonicContact OE2-NE 3.98Å; E312-R315 PolarHBondContact OE2-NE 2.88Å; E312-R315 IonicContact OE2-NH2 3.73Å; R315-L318 PolarHBondContact O-N 3.26Å; R315-A319 PolarHBondContact O-N 3.41Å; R315-A319 VanDerWaalsContact O-N 3.1Å
316	I	97.2	Very high	91.2	Very high	94 Å²	94	60.8 Å²	60.8	48%	0.482	32%	0.322	S	S	.	.	H	α-helix	trans	-62.9	-47.1	177.8	-66.6	165.7	0	0	0	110.3	E312 S313 F314 L318 A319	E312-I316 HydrophobicContact CG-CD1 4.17Å; E312-I316 WeakPolarHBondContact O-CG1 3.43Å; E312-I316 PolarHBondContact O-N 3.29Å; S313-I316 PolarHBondContact O-N 3.27Å; F314-I316 VanDerWaalsContact C-N 3.35Å; F314-I316 PolarHBondContact O-N 2.96Å; I316-L318 PolarHBondContact O-N 2.87Å; I316-A319 PolarHBondContact O-N 3.29Å
317	F	97.6	Very high	89.4	Confident	20 Å²	20	61.1 Å²	61.1	9%	0.088	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-44.8	177.6	173.9	-97.3	0	0	0	112.3	V133 F140 P141 V144 S313 F314 A319 D320 Y321	V133-F317 HydrophobicContact CG1-CZ 4.08Å; V133-F317 HydrophobicContact CG2-CE1 3.91Å; V133-F317 HydrophobicContact CG2-CZ 3.57Å; F140-F317 AromaticContact CD1-CE1 3.69Å; F140-F317 HydrophobicContact CD1-CE1 3.69Å; F140-F317 AromaticContact CD1-CZ 3.95Å; F140-F317 HydrophobicContact CD1-CZ 3.95Å; F140-F317 AromaticContact CE1-CE1 3.7Å; F140-F317 HydrophobicContact CE1-CE1 3.7Å; F140-F317 HydrophobicContact CE1-CZ 4.22Å; F140-F317 HydrophobicContact CG-CE1 4.49Å; F140-F317 HydrophobicContact CG-CZ 4.32Å; F140-F317 HydrophobicContact CZ-CE1 4.5Å; P141-F317 HydrophobicContact CG-CD2 3.95Å; P141-F317 HydrophobicContact CG-CE2 4.13Å; V144-F317 HydrophobicContact CG1-CD1 3.96Å; V144-F317 HydrophobicContact CG1-CE1 4.39Å; V144-F317 HydrophobicContact CG1-CG 4.29Å; V144-F317 HydrophobicContact CG2-CB 3.94Å; V144-F317 HydrophobicContact CG2-CG 4.22Å; S313-F317 WeakPolarHBondContact O-CB 3.45Å; S313-F317 PolarHBondContact O-N 3.06Å; F314-F317 HydrophobicContact CD2-CD1 4.03Å; F314-F317 HydrophobicContact CE2-CD1 4.11Å; F314-F317 PolarHBondContact O-N 3.14Å; F317-A319 VanDerWaalsContact C-N 3.35Å; F317-A319 PolarHBondContact O-N 3.45Å; F317-D320 PolarHBondContact O-N 2.92Å; F317-Y321 HydrophobicContact CD1-CE2 4.29Å; F317-Y321 HydrophobicContact CD2-CE2 4.03Å; F317-Y321 HydrophobicContact CE1-CD2 4.24Å; F317-Y321 AromaticContact CE1-CE2 3.92Å; F317-Y321 HydrophobicContact CE1-CE2 3.92Å; F317-Y321 AromaticContact CE2-CE2 3.64Å; F317-Y321 HydrophobicContact CE2-CE2 3.64Å; F317-Y321 HydrophobicContact CG-CE2 4.35Å; F317-Y321 HydrophobicContact CZ-CD2 4.33Å; F317-Y321 AromaticContact CZ-CE2 3.59Å; F317-Y321 HydrophobicContact CZ-CE2 3.59Å; F317-Y321 WeakPolarHBondContact O-CD2 3.39Å; F317-Y321 WeakPolarHBondContact O-CE2 3.4Å
318	L	96.5	Very high	87.5	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-66	-36.7	-176.1	-179.1	61.8	0	0	0	112	T124 L129 A176 D177 F314 R315 I316 D320 Y321 L322	T124-L318 HydrophobicContact CG2-CD1 4.15Å; L129-L318 HydrophobicContact CD1-CD1 3.72Å; L129-L318 HydrophobicContact CD2-CD1 3.74Å; L129-L318 HydrophobicContact CG-CD1 4.34Å; A176-L318 HydrophobicContact CB-CD2 4.17Å; D177-L318 WeakPolarHBondContact O-CD2 3.38Å; F314-L318 HydrophobicContact CD2-CB 4.48Å; F314-L318 HydrophobicContact CE1-CD2 4.33Å; F314-L318 HydrophobicContact CE2-CB 4.3Å; F314-L318 HydrophobicContact CZ-CD1 4.41Å; F314-L318 HydrophobicContact CZ-CD2 4.32Å; F314-L318 WeakPolarHBondContact O-CB 3.44Å; F314-L318 PolarHBondContact O-N 3.21Å; R315-L318 PolarHBondContact O-N 3.26Å; I316-L318 PolarHBondContact O-N 2.87Å; L318-D320 PolarHBondContact O-N 3.47Å; L318-D320 VanDerWaalsContact O-N 3.09Å; L318-Y321 PolarHBondContact O-N 2.9Å; L318-L322 HydrophobicContact CD1-CD2 3.82Å; L318-L322 HydrophobicContact CD1-CG 4.03Å; L318-L322 HydrophobicContact CD2-CD1 4.08Å; L318-L322 HydrophobicContact CD2-CD2 4.43Å; L318-L322 HydrophobicContact CD2-CG 4.43Å; L318-L322 HydrophobicContact CG-CD1 3.84Å; L318-L322 HydrophobicContact CG-CD2 4.01Å; L318-L322 HydrophobicContact CG-CG 3.78Å; L318-L322 PolarHBondContact O-N 3.18Å; L318-L322 VanDerWaalsContact O-N 3.1Å
319	A	94.6	Very high	87	Confident	44 Å²	44	61.1 Å²	61.1	36%	0.364	33%	0.333	S	S	.	.	H	α-helix	trans	-55.7	-28.1	-179.6	0	0	0	0	0	113.6	R315 I316 F317 Y321	R315-A319 PolarHBondContact O-N 3.41Å; R315-A319 VanDerWaalsContact O-N 3.1Å; I316-A319 PolarHBondContact O-N 3.29Å; F317-A319 VanDerWaalsContact C-N 3.35Å; F317-A319 PolarHBondContact O-N 3.45Å; A319-Y321 VanDerWaalsContact C-N 3.27Å; A319-Y321 PolarHBondContact O-N 3.2Å
320	D	92.1	Very high	86.4	Confident	99 Å²	99	60.5 Å²	60.5	53%	0.529	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-21.8	176.2	-74.4	-12.4	0	0	0	113	R136 F317 L318	R136-D320 PolarHBondContact NH1-O 3.31Å; F317-D320 PolarHBondContact O-N 2.92Å; L318-D320 PolarHBondContact O-N 3.47Å; L318-D320 VanDerWaalsContact O-N 3.09Å
321	Y	93.9	Very high	85.8	Confident	5 Å²	5	63.5 Å²	63.5	2%	0.02	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-12	-172.2	-55.3	-83.2	0	0	0	114.2	L129 K132 V133 F317 L318 A319	L129-Y321 HydrophobicContact CD1-CD2 4.13Å; L129-Y321 HydrophobicContact CD1-CG 3.97Å; K132-Y321 HydrophobicContact CB-CD1 4.13Å; K132-Y321 WeakPolarHBondContact CD-O 3.47Å; K132-Y321 PolarHBondContact NZ-O 2.81Å; V133-Y321 HydrophobicContact CB-CE1 4.21Å; V133-Y321 HydrophobicContact CG2-CD1 3.99Å; V133-Y321 HydrophobicContact CG2-CD2 4.09Å; V133-Y321 HydrophobicContact CG2-CE1 3.77Å; V133-Y321 HydrophobicContact CG2-CE2 3.9Å; V133-Y321 HydrophobicContact CG2-CG 4.15Å; F317-Y321 HydrophobicContact CD1-CE2 4.29Å; F317-Y321 HydrophobicContact CD2-CE2 4.03Å; F317-Y321 HydrophobicContact CE1-CD2 4.24Å; F317-Y321 AromaticContact CE1-CE2 3.92Å; F317-Y321 HydrophobicContact CE1-CE2 3.92Å; F317-Y321 AromaticContact CE2-CE2 3.64Å; F317-Y321 HydrophobicContact CE2-CE2 3.64Å; F317-Y321 HydrophobicContact CG-CE2 4.35Å; F317-Y321 HydrophobicContact CZ-CD2 4.33Å; F317-Y321 AromaticContact CZ-CE2 3.59Å; F317-Y321 HydrophobicContact CZ-CE2 3.59Å; F317-Y321 WeakPolarHBondContact O-CD2 3.39Å; F317-Y321 WeakPolarHBondContact O-CE2 3.4Å; L318-Y321 PolarHBondContact O-N 2.9Å; A319-Y321 VanDerWaalsContact C-N 3.27Å; A319-Y321 PolarHBondContact O-N 3.2Å
322	L	87.9	Confident	85	Confident	11 Å²	11	64.2 Å²	64.2	6%	0.058	34%	0.344	C	S	.	.	S	Bend	trans	-71.2	132.9	171.2	-66	-178.8	0	0	0	110.2	D123 T124 C178 L318 E326 K327	D123-L322 HydrophobicContact CB-CD2 4.27Å; T124-L322 HydrophobicContact CG2-CD2 4.29Å; C178-L322 HydrophobicContact CB-CD1 4Å; L318-L322 HydrophobicContact CD1-CD2 3.82Å; L318-L322 HydrophobicContact CD1-CG 4.03Å; L318-L322 HydrophobicContact CD2-CD1 4.08Å; L318-L322 HydrophobicContact CD2-CD2 4.43Å; L318-L322 HydrophobicContact CD2-CG 4.43Å; L318-L322 HydrophobicContact CG-CD1 3.84Å; L318-L322 HydrophobicContact CG-CD2 4.01Å; L318-L322 HydrophobicContact CG-CG 3.78Å; L318-L322 PolarHBondContact O-N 3.18Å; L318-L322 VanDerWaalsContact O-N 3.1Å; L322-E326 WeakPolarHBondContact CA-OE2 3.39Å; L322-E326 HydrophobicContact CB-CB 3.91Å; L322-E326 HydrophobicContact CD2-CB 4Å; L322-E326 HydrophobicContact CG-CB 4.38Å; L322-K327 HydrophobicContact CB-CG 4.17Å; L322-K327 WeakPolarHBondContact O-CE 3.47Å
323	D	79	Confident	84.2	Confident	75 Å²	75	62.9 Å²	62.9	40%	0.401	34%	0.341	S	S	.	.			trans	-68.8	159.9	172.4	-63.7	-40.3	0	0	0	109.8	K132 N325 E326 K327	K132-D323 IonicContact NZ-OD1 2.66Å; K132-D323 PolarHBondContact NZ-OD1 3.23Å; K132-D323 IonicContact NZ-OD2 3.71Å; K132-D323 PolarHBondContact NZ-OD2 3.08Å; D323-N325 WeakPolarHBondContact CB-OD1 3.4Å; D323-N325 PolarHBondContact O-N 2.83Å; D323-E326 HydrophobicContact CB-CG 4.24Å; D323-E326 PolarHBondContact N-OE2 3.34Å; D323-E326 CarbonylContact O-C 3.56Å; D323-E326 WeakPolarHBondContact O-CA 3.45Å; D323-E326 WeakPolarHBondContact O-CB 3.49Å; D323-E326 PolarHBondContact O-N 3.26Å; D323-K327 PolarHBondContact O-N 2.86Å; D323-K327 VanDerWaalsContact O-N 3.14Å
324	D	69.9	Low	83.3	Confident	136 Å²	136	64.8 Å²	64.8	73%	0.727	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.4	-175	-67.6	-30.8	0	0	0	113.5	K327	D324-K327 IonicContact OD1-NZ 2.69Å; D324-K327 PolarHBondContact OD1-NZ 3.01Å
325	N	66.4	Low	82.2	Confident	125 Å²	125	69.4 Å²	69.4	67%	0.668	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-7.9	173.1	65.2	-25.8	0	0	0	114.3	D323	D323-N325 WeakPolarHBondContact CB-OD1 3.4Å; D323-N325 PolarHBondContact O-N 2.83Å
326	E	64.4	Low	81	Confident	33 Å²	33	67.9 Å²	67.9	15%	0.154	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-11.1	174.9	-61.5	175.6	148.8	0	0	111.6	D123 K132 L322 D323	D123-E326 HydrophobicContact CB-CB 4.36Å; K132-E326 IonicContact NZ-OE1 2.69Å; K132-E326 IonicContact NZ-OE2 3.67Å; K132-E326 PolarHBondContact NZ-OE2 3.19Å; L322-E326 WeakPolarHBondContact CA-OE2 3.39Å; L322-E326 HydrophobicContact CB-CB 3.91Å; L322-E326 HydrophobicContact CD2-CB 4Å; L322-E326 HydrophobicContact CG-CB 4.38Å; D323-E326 HydrophobicContact CB-CG 4.24Å; D323-E326 PolarHBondContact N-OE2 3.34Å; D323-E326 CarbonylContact O-C 3.56Å; D323-E326 WeakPolarHBondContact O-CA 3.45Å; D323-E326 WeakPolarHBondContact O-CB 3.49Å; D323-E326 PolarHBondContact O-N 3.26Å
327	K	58.7	Low	79.6	Confident	101 Å²	101	65.8 Å²	65.8	44%	0.439	37%	0.366	S	S	.	.			trans	-77.6	137.5	176.8	-71.1	176.2	-171.2	159.9	0	111.2	L322 D323 D324	L322-K327 HydrophobicContact CB-CG 4.17Å; L322-K327 WeakPolarHBondContact O-CE 3.47Å; D323-K327 PolarHBondContact O-N 2.86Å; D323-K327 VanDerWaalsContact O-N 3.14Å; D324-K327 IonicContact OD1-NZ 2.69Å; D324-K327 PolarHBondContact OD1-NZ 3.01Å
328	C	54.7	Low	78	Confident	139 Å²	139	69.9 Å²	69.9	94%	0.939	39%	0.391	S	S	*	.			trans	-77.6	0	151.3	-58.2	0	0	0	0	107.9	C178	C178-C328 HydrophobicContact CB-CB 3.9Å; C178-C328 WeakPolarHBondContact CB-SG 3.42Å; C178-C328 WeakPolarHBondContact SG-CB 3.33Å; C178-C328 CovalentContact SG-SG 2.04Å; C178-C328 PolarHBondContact SG-SG 2.88Å

Retrieved 328 of 328 residues in 630.9 ms (Link to these results)

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